USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 743 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 1 MET N :NH3+ -167:sc= 0.0645 (180deg=-0.909) USER MOD Set 1.2: A 5 THR OG1 : rot -130:sc= 0.419 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -154:sc= 0.581 USER MOD Single : A 6 SER OG : rot 150:sc= 0.919 USER MOD Single : A 7 THR OG1 : rot 63:sc= 0.56 USER MOD Single : A 8 GLN : amide:sc= -0.0391 K(o=-0.039,f=-0.65) USER MOD Single : A 11 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00211) USER MOD Single : A 12 GLN : amide:sc= 0.524 K(o=0.52,f=-4.1!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -30:sc= 0.00216 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.413 K(o=-0.41,f=-3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 75:sc= 0.839 USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 1.85 (180deg=1.84) USER MOD Single : A 35 ASN : amide:sc= 0.488 X(o=0.49,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.0258 X(o=-0.026,f=-0.092) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -138:sc= 1.23 USER MOD Single : A 47 SER OG : rot -38:sc= 0.538 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.0712 F(o=-1.7!,f=-0.071) USER MOD Single : A 51 MET CE :methyl -166:sc= -0.695 (180deg=-0.921) USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.026) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0952 USER MOD Single : A 55 SER OG : rot -83:sc= 0.657 USER MOD Single : A 56 THR OG1 : rot 34:sc= 0.527 USER MOD Single : A 59 GLN : amide:sc= 0.36 X(o=0.36,f=-0.052) USER MOD Single : A 62 THR OG1 : rot 82:sc= 0.811 USER MOD Single : A 66 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.114) USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= 2.41 (180deg=2.33) USER MOD Single : A 68 SER OG : rot -79:sc= 0.961 USER MOD Single : A 69 THR OG1 : rot 65:sc= 0.986 USER MOD Single : A 72 GLN : amide:sc= 0.0935 X(o=0.093,f=-0.003) USER MOD Single : A 74 SER OG : rot 180:sc= 0.149 USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 0.904 (180deg=0.807) USER MOD Single : A 79 MET CE :methyl -158:sc= 0 (180deg=-0.00241) USER MOD Single : A 89 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.858 -16.199 0.191 1.00 5.40 N ATOM 2 CA MET A 1 -1.382 -17.471 -0.373 1.00 4.56 C ATOM 3 C MET A 1 -1.927 -17.634 -1.787 1.00 3.14 C ATOM 4 O MET A 1 -1.201 -17.356 -2.732 1.00 3.53 O ATOM 5 CB MET A 1 -1.739 -18.654 0.533 1.00 5.07 C ATOM 6 CG MET A 1 -0.840 -18.685 1.771 1.00 6.73 C ATOM 7 SD MET A 1 0.853 -19.212 1.415 1.00 7.89 S ATOM 8 CE MET A 1 0.962 -20.624 2.549 1.00 9.11 C ATOM 0 H1 MET A 1 -1.321 -15.979 1.054 1.00 5.40 H new ATOM 0 H2 MET A 1 -1.721 -15.438 -0.505 1.00 5.40 H new ATOM 0 H3 MET A 1 -2.869 -16.279 0.423 1.00 5.40 H new ATOM 0 HA MET A 1 -0.294 -17.454 -0.429 1.00 4.56 H new ATOM 0 HB2 MET A 1 -2.783 -18.581 0.838 1.00 5.07 H new ATOM 0 HB3 MET A 1 -1.633 -19.587 -0.021 1.00 5.07 H new ATOM 0 HG2 MET A 1 -0.817 -17.692 2.219 1.00 6.73 H new ATOM 0 HG3 MET A 1 -1.275 -19.358 2.510 1.00 6.73 H new ATOM 0 HE1 MET A 1 1.948 -21.081 2.467 1.00 9.11 H new ATOM 0 HE2 MET A 1 0.804 -20.282 3.572 1.00 9.11 H new ATOM 0 HE3 MET A 1 0.199 -21.358 2.290 1.00 9.11 H new ATOM 20 N SER A 2 -3.187 -18.051 -1.946 1.00 2.72 N ATOM 21 CA SER A 2 -3.811 -18.151 -3.261 1.00 2.19 C ATOM 22 C SER A 2 -4.061 -16.748 -3.824 1.00 1.86 C ATOM 23 O SER A 2 -3.938 -15.748 -3.109 1.00 1.76 O ATOM 24 CB SER A 2 -5.119 -18.950 -3.119 1.00 3.40 C ATOM 25 OG SER A 2 -5.826 -19.101 -4.333 1.00 3.67 O ATOM 0 H SER A 2 -3.794 -18.325 -1.174 1.00 2.72 H new ATOM 0 HA SER A 2 -3.157 -18.671 -3.961 1.00 2.19 H new ATOM 0 HB2 SER A 2 -4.890 -19.937 -2.717 1.00 3.40 H new ATOM 0 HB3 SER A 2 -5.762 -18.452 -2.394 1.00 3.40 H new ATOM 0 HG SER A 2 -6.779 -19.229 -4.143 1.00 3.67 H new ATOM 31 N GLU A 3 -4.474 -16.682 -5.092 1.00 1.77 N ATOM 32 CA GLU A 3 -4.925 -15.451 -5.734 1.00 1.58 C ATOM 33 C GLU A 3 -6.141 -14.882 -5.017 1.00 1.38 C ATOM 34 O GLU A 3 -6.376 -13.681 -5.055 1.00 1.20 O ATOM 35 CB GLU A 3 -5.256 -15.688 -7.216 1.00 1.71 C ATOM 36 CG GLU A 3 -4.091 -15.278 -8.122 1.00 2.09 C ATOM 37 CD GLU A 3 -3.827 -13.767 -8.122 1.00 3.25 C ATOM 38 OE1 GLU A 3 -4.428 -13.050 -7.289 1.00 4.58 O ATOM 39 OE2 GLU A 3 -2.978 -13.351 -8.942 1.00 3.91 O ATOM 0 H GLU A 3 -4.504 -17.495 -5.708 1.00 1.77 H new ATOM 0 HA GLU A 3 -4.110 -14.730 -5.672 1.00 1.58 H new ATOM 0 HB2 GLU A 3 -5.489 -16.741 -7.374 1.00 1.71 H new ATOM 0 HB3 GLU A 3 -6.146 -15.121 -7.487 1.00 1.71 H new ATOM 0 HG2 GLU A 3 -3.189 -15.798 -7.800 1.00 2.09 H new ATOM 0 HG3 GLU A 3 -4.300 -15.604 -9.141 1.00 2.09 H new ATOM 46 N GLU A 4 -6.903 -15.718 -4.317 1.00 1.45 N ATOM 47 CA GLU A 4 -7.963 -15.216 -3.462 1.00 1.35 C ATOM 48 C GLU A 4 -7.371 -14.223 -2.466 1.00 1.14 C ATOM 49 O GLU A 4 -7.875 -13.115 -2.310 1.00 1.00 O ATOM 50 CB GLU A 4 -8.635 -16.385 -2.744 1.00 1.55 C ATOM 51 CG GLU A 4 -9.358 -17.292 -3.744 1.00 1.75 C ATOM 52 CD GLU A 4 -9.514 -18.686 -3.151 1.00 2.24 C ATOM 53 OE1 GLU A 4 -8.513 -19.436 -3.253 1.00 3.29 O ATOM 54 OE2 GLU A 4 -10.598 -18.956 -2.590 1.00 2.65 O ATOM 0 H GLU A 4 -6.805 -16.733 -4.327 1.00 1.45 H new ATOM 0 HA GLU A 4 -8.719 -14.703 -4.057 1.00 1.35 H new ATOM 0 HB2 GLU A 4 -7.888 -16.961 -2.198 1.00 1.55 H new ATOM 0 HB3 GLU A 4 -9.346 -16.007 -2.009 1.00 1.55 H new ATOM 0 HG2 GLU A 4 -10.337 -16.877 -3.985 1.00 1.75 H new ATOM 0 HG3 GLU A 4 -8.795 -17.343 -4.676 1.00 1.75 H new ATOM 61 N THR A 5 -6.272 -14.596 -1.807 1.00 1.17 N ATOM 62 CA THR A 5 -5.603 -13.705 -0.881 1.00 1.04 C ATOM 63 C THR A 5 -4.997 -12.517 -1.617 1.00 0.76 C ATOM 64 O THR A 5 -5.174 -11.380 -1.193 1.00 0.68 O ATOM 65 CB THR A 5 -4.497 -14.446 -0.129 1.00 1.26 C ATOM 66 OG1 THR A 5 -4.815 -15.808 0.090 1.00 1.44 O ATOM 67 CG2 THR A 5 -4.224 -13.778 1.217 1.00 1.40 C ATOM 0 H THR A 5 -5.833 -15.512 -1.903 1.00 1.17 H new ATOM 0 HA THR A 5 -6.346 -13.345 -0.170 1.00 1.04 H new ATOM 0 HB THR A 5 -3.608 -14.400 -0.758 1.00 1.26 H new ATOM 0 HG1 THR A 5 -4.672 -16.030 1.034 1.00 1.44 H new ATOM 0 HG21 THR A 5 -3.434 -14.319 1.738 1.00 1.40 H new ATOM 0 HG22 THR A 5 -3.911 -12.747 1.055 1.00 1.40 H new ATOM 0 HG23 THR A 5 -5.132 -13.791 1.820 1.00 1.40 H new ATOM 75 N SER A 6 -4.233 -12.768 -2.682 1.00 0.72 N ATOM 76 CA SER A 6 -3.450 -11.714 -3.310 1.00 0.58 C ATOM 77 C SER A 6 -4.366 -10.629 -3.866 1.00 0.43 C ATOM 78 O SER A 6 -4.095 -9.446 -3.726 1.00 0.47 O ATOM 79 CB SER A 6 -2.516 -12.307 -4.372 1.00 0.75 C ATOM 80 OG SER A 6 -1.368 -11.498 -4.494 1.00 1.00 O ATOM 0 H SER A 6 -4.143 -13.684 -3.121 1.00 0.72 H new ATOM 0 HA SER A 6 -2.817 -11.237 -2.562 1.00 0.58 H new ATOM 0 HB2 SER A 6 -2.231 -13.322 -4.095 1.00 0.75 H new ATOM 0 HB3 SER A 6 -3.032 -12.371 -5.330 1.00 0.75 H new ATOM 0 HG SER A 6 -0.603 -12.052 -4.755 1.00 1.00 H new ATOM 86 N THR A 7 -5.500 -11.018 -4.429 1.00 0.54 N ATOM 87 CA THR A 7 -6.520 -10.128 -4.945 1.00 0.57 C ATOM 88 C THR A 7 -7.283 -9.450 -3.818 1.00 0.48 C ATOM 89 O THR A 7 -7.548 -8.251 -3.899 1.00 0.49 O ATOM 90 CB THR A 7 -7.436 -10.896 -5.908 1.00 0.80 C ATOM 91 OG1 THR A 7 -6.692 -11.320 -7.031 1.00 0.97 O ATOM 92 CG2 THR A 7 -8.575 -10.019 -6.437 1.00 0.93 C ATOM 0 H THR A 7 -5.741 -12.003 -4.542 1.00 0.54 H new ATOM 0 HA THR A 7 -6.046 -9.325 -5.509 1.00 0.57 H new ATOM 0 HB THR A 7 -7.849 -11.736 -5.350 1.00 0.80 H new ATOM 0 HG1 THR A 7 -5.993 -11.944 -6.744 1.00 0.97 H new ATOM 0 HG21 THR A 7 -9.199 -10.602 -7.115 1.00 0.93 H new ATOM 0 HG22 THR A 7 -9.179 -9.665 -5.602 1.00 0.93 H new ATOM 0 HG23 THR A 7 -8.159 -9.165 -6.971 1.00 0.93 H new ATOM 100 N GLN A 8 -7.615 -10.178 -2.753 1.00 0.53 N ATOM 101 CA GLN A 8 -8.260 -9.574 -1.595 1.00 0.62 C ATOM 102 C GLN A 8 -7.394 -8.430 -1.090 1.00 0.61 C ATOM 103 O GLN A 8 -7.889 -7.342 -0.813 1.00 0.77 O ATOM 104 CB GLN A 8 -8.466 -10.615 -0.486 1.00 0.76 C ATOM 105 CG GLN A 8 -9.770 -11.406 -0.657 1.00 0.93 C ATOM 106 CD GLN A 8 -11.002 -10.588 -0.280 1.00 1.44 C ATOM 107 OE1 GLN A 8 -10.992 -9.819 0.672 1.00 1.89 O ATOM 108 NE2 GLN A 8 -12.097 -10.738 -1.015 1.00 2.16 N ATOM 0 H GLN A 8 -7.448 -11.181 -2.671 1.00 0.53 H new ATOM 0 HA GLN A 8 -9.240 -9.194 -1.885 1.00 0.62 H new ATOM 0 HB2 GLN A 8 -7.623 -11.307 -0.480 1.00 0.76 H new ATOM 0 HB3 GLN A 8 -8.473 -10.114 0.482 1.00 0.76 H new ATOM 0 HG2 GLN A 8 -9.859 -11.735 -1.692 1.00 0.93 H new ATOM 0 HG3 GLN A 8 -9.731 -12.304 -0.040 1.00 0.93 H new ATOM 0 HE21 GLN A 8 -12.096 -11.381 -1.807 1.00 2.16 H new ATOM 0 HE22 GLN A 8 -12.940 -10.210 -0.788 1.00 2.16 H new ATOM 117 N ILE A 9 -6.089 -8.671 -0.982 1.00 0.51 N ATOM 118 CA ILE A 9 -5.196 -7.730 -0.335 1.00 0.50 C ATOM 119 C ILE A 9 -4.919 -6.590 -1.297 1.00 0.39 C ATOM 120 O ILE A 9 -4.780 -5.453 -0.873 1.00 0.44 O ATOM 121 CB ILE A 9 -3.931 -8.429 0.189 1.00 0.60 C ATOM 122 CG1 ILE A 9 -3.468 -7.730 1.476 1.00 1.69 C ATOM 123 CG2 ILE A 9 -2.763 -8.456 -0.793 1.00 1.33 C ATOM 124 CD1 ILE A 9 -2.215 -8.380 2.070 1.00 2.03 C ATOM 0 H ILE A 9 -5.633 -9.512 -1.336 1.00 0.51 H new ATOM 0 HA ILE A 9 -5.664 -7.307 0.554 1.00 0.50 H new ATOM 0 HB ILE A 9 -4.215 -9.467 0.359 1.00 0.60 H new ATOM 0 HG12 ILE A 9 -3.265 -6.680 1.264 1.00 1.69 H new ATOM 0 HG13 ILE A 9 -4.272 -7.757 2.211 1.00 1.69 H new ATOM 0 HG21 ILE A 9 -1.916 -8.968 -0.337 1.00 1.33 H new ATOM 0 HG22 ILE A 9 -3.061 -8.984 -1.699 1.00 1.33 H new ATOM 0 HG23 ILE A 9 -2.476 -7.435 -1.046 1.00 1.33 H new ATOM 0 HD11 ILE A 9 -1.926 -7.851 2.978 1.00 2.03 H new ATOM 0 HD12 ILE A 9 -2.424 -9.423 2.308 1.00 2.03 H new ATOM 0 HD13 ILE A 9 -1.401 -8.330 1.347 1.00 2.03 H new ATOM 136 N LEU A 10 -4.915 -6.889 -2.594 1.00 0.35 N ATOM 137 CA LEU A 10 -4.790 -5.906 -3.662 1.00 0.46 C ATOM 138 C LEU A 10 -5.827 -4.805 -3.455 1.00 0.39 C ATOM 139 O LEU A 10 -5.498 -3.637 -3.240 1.00 0.38 O ATOM 140 CB LEU A 10 -5.008 -6.609 -5.014 1.00 0.68 C ATOM 141 CG LEU A 10 -3.947 -6.299 -6.063 1.00 0.88 C ATOM 142 CD1 LEU A 10 -2.743 -7.209 -5.860 1.00 1.81 C ATOM 143 CD2 LEU A 10 -4.541 -6.571 -7.449 1.00 2.72 C ATOM 0 H LEU A 10 -5.001 -7.846 -2.937 1.00 0.35 H new ATOM 0 HA LEU A 10 -3.797 -5.457 -3.651 1.00 0.46 H new ATOM 0 HB2 LEU A 10 -5.035 -7.686 -4.849 1.00 0.68 H new ATOM 0 HB3 LEU A 10 -5.984 -6.322 -5.406 1.00 0.68 H new ATOM 0 HG LEU A 10 -3.635 -5.258 -5.975 1.00 0.88 H new ATOM 0 HD11 LEU A 10 -1.986 -6.985 -6.612 1.00 1.81 H new ATOM 0 HD12 LEU A 10 -2.327 -7.045 -4.866 1.00 1.81 H new ATOM 0 HD13 LEU A 10 -3.053 -8.250 -5.957 1.00 1.81 H new ATOM 0 HD21 LEU A 10 -3.795 -6.354 -8.214 1.00 2.72 H new ATOM 0 HD22 LEU A 10 -4.838 -7.617 -7.518 1.00 2.72 H new ATOM 0 HD23 LEU A 10 -5.413 -5.935 -7.602 1.00 2.72 H new ATOM 155 N LYS A 11 -7.102 -5.201 -3.454 1.00 0.43 N ATOM 156 CA LYS A 11 -8.190 -4.249 -3.272 1.00 0.47 C ATOM 157 C LYS A 11 -8.058 -3.601 -1.898 1.00 0.45 C ATOM 158 O LYS A 11 -8.337 -2.414 -1.746 1.00 0.57 O ATOM 159 CB LYS A 11 -9.566 -4.921 -3.429 1.00 0.62 C ATOM 160 CG LYS A 11 -10.027 -5.076 -4.889 1.00 1.63 C ATOM 161 CD LYS A 11 -9.199 -6.093 -5.682 1.00 2.08 C ATOM 162 CE LYS A 11 -9.727 -6.294 -7.107 1.00 2.86 C ATOM 163 NZ LYS A 11 -10.987 -7.066 -7.135 1.00 2.97 N ATOM 0 H LYS A 11 -7.401 -6.168 -3.577 1.00 0.43 H new ATOM 0 HA LYS A 11 -8.120 -3.485 -4.046 1.00 0.47 H new ATOM 0 HB2 LYS A 11 -9.533 -5.906 -2.963 1.00 0.62 H new ATOM 0 HB3 LYS A 11 -10.308 -4.336 -2.885 1.00 0.62 H new ATOM 0 HG2 LYS A 11 -11.073 -5.381 -4.902 1.00 1.63 H new ATOM 0 HG3 LYS A 11 -9.971 -4.107 -5.385 1.00 1.63 H new ATOM 0 HD2 LYS A 11 -8.163 -5.758 -5.726 1.00 2.08 H new ATOM 0 HD3 LYS A 11 -9.204 -7.049 -5.158 1.00 2.08 H new ATOM 0 HE2 LYS A 11 -9.889 -5.322 -7.573 1.00 2.86 H new ATOM 0 HE3 LYS A 11 -8.974 -6.811 -7.702 1.00 2.86 H new ATOM 0 HZ1 LYS A 11 -11.296 -7.191 -8.120 1.00 2.97 H new ATOM 0 HZ2 LYS A 11 -10.833 -7.998 -6.700 1.00 2.97 H new ATOM 0 HZ3 LYS A 11 -11.720 -6.553 -6.605 1.00 2.97 H new ATOM 177 N GLN A 12 -7.647 -4.376 -0.892 1.00 0.42 N ATOM 178 CA GLN A 12 -7.537 -3.883 0.470 1.00 0.44 C ATOM 179 C GLN A 12 -6.403 -2.862 0.615 1.00 0.38 C ATOM 180 O GLN A 12 -6.443 -2.049 1.536 1.00 0.50 O ATOM 181 CB GLN A 12 -7.370 -5.043 1.462 1.00 0.62 C ATOM 182 CG GLN A 12 -7.873 -4.700 2.872 1.00 1.08 C ATOM 183 CD GLN A 12 -9.330 -5.106 3.092 1.00 1.13 C ATOM 184 OE1 GLN A 12 -9.613 -6.065 3.805 1.00 1.94 O ATOM 185 NE2 GLN A 12 -10.286 -4.380 2.533 1.00 2.02 N ATOM 0 H GLN A 12 -7.384 -5.355 -1.004 1.00 0.42 H new ATOM 0 HA GLN A 12 -8.467 -3.367 0.707 1.00 0.44 H new ATOM 0 HB2 GLN A 12 -7.911 -5.913 1.090 1.00 0.62 H new ATOM 0 HB3 GLN A 12 -6.317 -5.321 1.515 1.00 0.62 H new ATOM 0 HG2 GLN A 12 -7.245 -5.200 3.609 1.00 1.08 H new ATOM 0 HG3 GLN A 12 -7.769 -3.628 3.040 1.00 1.08 H new ATOM 0 HE21 GLN A 12 -10.043 -3.585 1.942 1.00 2.02 H new ATOM 0 HE22 GLN A 12 -11.265 -4.616 2.693 1.00 2.02 H new ATOM 194 N VAL A 13 -5.392 -2.878 -0.260 1.00 0.36 N ATOM 195 CA VAL A 13 -4.296 -1.927 -0.148 1.00 0.43 C ATOM 196 C VAL A 13 -4.835 -0.600 -0.638 1.00 0.50 C ATOM 197 O VAL A 13 -4.736 0.424 0.035 1.00 0.64 O ATOM 198 CB VAL A 13 -3.087 -2.438 -0.950 1.00 0.45 C ATOM 199 CG1 VAL A 13 -2.105 -1.332 -1.353 1.00 0.79 C ATOM 200 CG2 VAL A 13 -2.314 -3.462 -0.113 1.00 0.74 C ATOM 0 H VAL A 13 -5.315 -3.531 -1.040 1.00 0.36 H new ATOM 0 HA VAL A 13 -3.938 -1.806 0.874 1.00 0.43 H new ATOM 0 HB VAL A 13 -3.494 -2.875 -1.862 1.00 0.45 H new ATOM 0 HG11 VAL A 13 -1.278 -1.766 -1.915 1.00 0.79 H new ATOM 0 HG12 VAL A 13 -2.619 -0.597 -1.973 1.00 0.79 H new ATOM 0 HG13 VAL A 13 -1.718 -0.845 -0.458 1.00 0.79 H new ATOM 0 HG21 VAL A 13 -1.457 -3.824 -0.681 1.00 0.74 H new ATOM 0 HG22 VAL A 13 -1.967 -2.992 0.807 1.00 0.74 H new ATOM 0 HG23 VAL A 13 -2.967 -4.300 0.132 1.00 0.74 H new ATOM 210 N GLU A 14 -5.458 -0.625 -1.811 1.00 0.48 N ATOM 211 CA GLU A 14 -5.975 0.595 -2.394 1.00 0.61 C ATOM 212 C GLU A 14 -7.125 1.157 -1.585 1.00 0.48 C ATOM 213 O GLU A 14 -7.363 2.356 -1.635 1.00 0.46 O ATOM 214 CB GLU A 14 -6.472 0.286 -3.783 1.00 0.72 C ATOM 215 CG GLU A 14 -5.287 -0.122 -4.657 1.00 2.62 C ATOM 216 CD GLU A 14 -5.605 -1.292 -5.566 1.00 3.57 C ATOM 217 OE1 GLU A 14 -6.799 -1.688 -5.601 1.00 3.51 O ATOM 218 OE2 GLU A 14 -4.654 -1.723 -6.262 1.00 5.16 O ATOM 0 H GLU A 14 -5.613 -1.467 -2.366 1.00 0.48 H new ATOM 0 HA GLU A 14 -5.175 1.335 -2.411 1.00 0.61 H new ATOM 0 HB2 GLU A 14 -7.209 -0.517 -3.749 1.00 0.72 H new ATOM 0 HB3 GLU A 14 -6.970 1.158 -4.207 1.00 0.72 H new ATOM 0 HG2 GLU A 14 -4.978 0.730 -5.263 1.00 2.62 H new ATOM 0 HG3 GLU A 14 -4.443 -0.382 -4.019 1.00 2.62 H new ATOM 225 N TYR A 15 -7.837 0.315 -0.837 1.00 0.42 N ATOM 226 CA TYR A 15 -8.937 0.728 0.002 1.00 0.37 C ATOM 227 C TYR A 15 -8.455 1.831 0.945 1.00 0.38 C ATOM 228 O TYR A 15 -9.105 2.864 1.047 1.00 0.37 O ATOM 229 CB TYR A 15 -9.500 -0.514 0.700 1.00 0.37 C ATOM 230 CG TYR A 15 -9.991 -0.285 2.100 1.00 0.41 C ATOM 231 CD1 TYR A 15 -11.308 0.140 2.336 1.00 0.74 C ATOM 232 CD2 TYR A 15 -9.093 -0.458 3.167 1.00 0.51 C ATOM 233 CE1 TYR A 15 -11.731 0.389 3.651 1.00 0.88 C ATOM 234 CE2 TYR A 15 -9.504 -0.194 4.477 1.00 0.58 C ATOM 235 CZ TYR A 15 -10.831 0.225 4.730 1.00 0.71 C ATOM 236 OH TYR A 15 -11.253 0.469 6.002 1.00 0.98 O ATOM 0 H TYR A 15 -7.654 -0.688 -0.804 1.00 0.42 H new ATOM 0 HA TYR A 15 -9.759 1.163 -0.567 1.00 0.37 H new ATOM 0 HB2 TYR A 15 -10.322 -0.907 0.102 1.00 0.37 H new ATOM 0 HB3 TYR A 15 -8.727 -1.282 0.723 1.00 0.37 H new ATOM 0 HD1 TYR A 15 -11.992 0.275 1.511 1.00 0.74 H new ATOM 0 HD2 TYR A 15 -8.085 -0.795 2.975 1.00 0.51 H new ATOM 0 HE1 TYR A 15 -12.746 0.707 3.839 1.00 0.88 H new ATOM 0 HE2 TYR A 15 -8.809 -0.310 5.295 1.00 0.58 H new ATOM 0 HH TYR A 15 -10.516 0.309 6.628 1.00 0.98 H new ATOM 246 N TYR A 16 -7.274 1.683 1.551 1.00 0.42 N ATOM 247 CA TYR A 16 -6.728 2.727 2.413 1.00 0.45 C ATOM 248 C TYR A 16 -6.565 4.073 1.686 1.00 0.45 C ATOM 249 O TYR A 16 -6.736 5.131 2.296 1.00 0.57 O ATOM 250 CB TYR A 16 -5.440 2.225 3.081 1.00 0.51 C ATOM 251 CG TYR A 16 -5.688 1.384 4.320 1.00 0.72 C ATOM 252 CD1 TYR A 16 -6.117 2.013 5.505 1.00 2.43 C ATOM 253 CD2 TYR A 16 -5.395 0.007 4.324 1.00 1.41 C ATOM 254 CE1 TYR A 16 -6.218 1.280 6.702 1.00 2.66 C ATOM 255 CE2 TYR A 16 -5.470 -0.725 5.524 1.00 1.39 C ATOM 256 CZ TYR A 16 -5.862 -0.087 6.721 1.00 1.27 C ATOM 257 OH TYR A 16 -5.871 -0.776 7.898 1.00 1.55 O ATOM 0 H TYR A 16 -6.684 0.856 1.460 1.00 0.42 H new ATOM 0 HA TYR A 16 -7.447 2.938 3.204 1.00 0.45 H new ATOM 0 HB2 TYR A 16 -4.872 1.637 2.360 1.00 0.51 H new ATOM 0 HB3 TYR A 16 -4.822 3.082 3.351 1.00 0.51 H new ATOM 0 HD1 TYR A 16 -6.370 3.063 5.495 1.00 2.43 H new ATOM 0 HD2 TYR A 16 -5.113 -0.488 3.406 1.00 1.41 H new ATOM 0 HE1 TYR A 16 -6.567 1.761 7.604 1.00 2.66 H new ATOM 0 HE2 TYR A 16 -5.227 -1.777 5.529 1.00 1.39 H new ATOM 0 HH TYR A 16 -5.602 -1.704 7.736 1.00 1.55 H new ATOM 267 N PHE A 17 -6.281 4.059 0.381 1.00 0.43 N ATOM 268 CA PHE A 17 -6.144 5.269 -0.427 1.00 0.49 C ATOM 269 C PHE A 17 -7.441 5.675 -1.133 1.00 0.58 C ATOM 270 O PHE A 17 -7.504 6.764 -1.709 1.00 0.96 O ATOM 271 CB PHE A 17 -5.036 5.064 -1.465 1.00 0.54 C ATOM 272 CG PHE A 17 -3.679 4.888 -0.826 1.00 0.67 C ATOM 273 CD1 PHE A 17 -3.238 3.606 -0.449 1.00 0.81 C ATOM 274 CD2 PHE A 17 -2.887 6.018 -0.552 1.00 1.35 C ATOM 275 CE1 PHE A 17 -2.013 3.454 0.218 1.00 1.01 C ATOM 276 CE2 PHE A 17 -1.663 5.866 0.116 1.00 1.67 C ATOM 277 CZ PHE A 17 -1.232 4.587 0.507 1.00 1.33 C ATOM 0 H PHE A 17 -6.139 3.198 -0.147 1.00 0.43 H new ATOM 0 HA PHE A 17 -5.891 6.081 0.255 1.00 0.49 H new ATOM 0 HB2 PHE A 17 -5.266 4.188 -2.071 1.00 0.54 H new ATOM 0 HB3 PHE A 17 -5.010 5.920 -2.139 1.00 0.54 H new ATOM 0 HD1 PHE A 17 -3.842 2.739 -0.673 1.00 0.81 H new ATOM 0 HD2 PHE A 17 -3.220 7.000 -0.855 1.00 1.35 H new ATOM 0 HE1 PHE A 17 -1.672 2.471 0.508 1.00 1.01 H new ATOM 0 HE2 PHE A 17 -1.053 6.731 0.330 1.00 1.67 H new ATOM 0 HZ PHE A 17 -0.295 4.474 1.033 1.00 1.33 H new ATOM 287 N SER A 18 -8.455 4.809 -1.112 1.00 0.44 N ATOM 288 CA SER A 18 -9.675 4.906 -1.903 1.00 0.46 C ATOM 289 C SER A 18 -10.879 5.233 -1.041 1.00 0.48 C ATOM 290 O SER A 18 -11.914 5.633 -1.564 1.00 0.75 O ATOM 291 CB SER A 18 -9.870 3.583 -2.660 1.00 0.58 C ATOM 292 OG SER A 18 -11.023 3.540 -3.482 1.00 0.67 O ATOM 0 H SER A 18 -8.444 3.983 -0.514 1.00 0.44 H new ATOM 0 HA SER A 18 -9.579 5.726 -2.615 1.00 0.46 H new ATOM 0 HB2 SER A 18 -8.991 3.400 -3.279 1.00 0.58 H new ATOM 0 HB3 SER A 18 -9.925 2.770 -1.936 1.00 0.58 H new ATOM 0 HG SER A 18 -11.721 4.110 -3.097 1.00 0.67 H new ATOM 298 N ASP A 19 -10.728 5.098 0.268 1.00 0.41 N ATOM 299 CA ASP A 19 -11.724 5.401 1.276 1.00 0.46 C ATOM 300 C ASP A 19 -11.500 6.817 1.811 1.00 0.46 C ATOM 301 O ASP A 19 -12.017 7.206 2.851 1.00 0.58 O ATOM 302 CB ASP A 19 -11.511 4.328 2.337 1.00 0.50 C ATOM 303 CG ASP A 19 -12.520 4.370 3.479 1.00 0.68 C ATOM 304 OD1 ASP A 19 -13.730 4.327 3.162 1.00 2.05 O ATOM 305 OD2 ASP A 19 -12.063 4.373 4.644 1.00 1.85 O ATOM 0 H ASP A 19 -9.858 4.755 0.674 1.00 0.41 H new ATOM 0 HA ASP A 19 -12.750 5.388 0.907 1.00 0.46 H new ATOM 0 HB2 ASP A 19 -11.558 3.348 1.862 1.00 0.50 H new ATOM 0 HB3 ASP A 19 -10.508 4.435 2.749 1.00 0.50 H new ATOM 310 N SER A 20 -10.686 7.606 1.099 1.00 0.43 N ATOM 311 CA SER A 20 -10.184 8.901 1.541 1.00 0.48 C ATOM 312 C SER A 20 -9.598 8.857 2.953 1.00 0.49 C ATOM 313 O SER A 20 -9.530 9.885 3.625 1.00 0.55 O ATOM 314 CB SER A 20 -11.296 9.942 1.422 1.00 0.55 C ATOM 315 OG SER A 20 -11.802 9.921 0.103 1.00 1.56 O ATOM 0 H SER A 20 -10.351 7.347 0.171 1.00 0.43 H new ATOM 0 HA SER A 20 -9.357 9.184 0.890 1.00 0.48 H new ATOM 0 HB2 SER A 20 -12.092 9.727 2.135 1.00 0.55 H new ATOM 0 HB3 SER A 20 -10.912 10.933 1.663 1.00 0.55 H new ATOM 0 HG SER A 20 -12.518 10.585 0.017 1.00 1.56 H new ATOM 321 N ASN A 21 -9.115 7.694 3.397 1.00 0.49 N ATOM 322 CA ASN A 21 -8.630 7.555 4.758 1.00 0.56 C ATOM 323 C ASN A 21 -7.143 7.911 4.841 1.00 0.49 C ATOM 324 O ASN A 21 -6.672 8.278 5.907 1.00 0.56 O ATOM 325 CB ASN A 21 -8.952 6.153 5.291 1.00 0.72 C ATOM 326 CG ASN A 21 -8.881 6.103 6.817 1.00 1.02 C ATOM 327 OD1 ASN A 21 -9.351 7.002 7.517 1.00 1.54 O ATOM 328 ND2 ASN A 21 -8.309 5.035 7.352 1.00 1.69 N ATOM 0 H ASN A 21 -9.053 6.846 2.834 1.00 0.49 H new ATOM 0 HA ASN A 21 -9.146 8.263 5.406 1.00 0.56 H new ATOM 0 HB2 ASN A 21 -9.948 5.858 4.962 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -8.251 5.433 4.869 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -8.250 4.942 8.366 1.00 1.69 H new ATOM 0 HD22 ASN A 21 -7.928 4.305 6.750 1.00 1.69 H new ATOM 335 N PHE A 22 -6.393 7.896 3.730 1.00 0.44 N ATOM 336 CA PHE A 22 -4.984 8.277 3.729 1.00 0.48 C ATOM 337 C PHE A 22 -4.742 9.693 4.256 1.00 0.42 C ATOM 338 O PHE A 22 -3.873 9.850 5.112 1.00 0.44 O ATOM 339 CB PHE A 22 -4.358 8.032 2.342 1.00 0.61 C ATOM 340 CG PHE A 22 -3.581 9.180 1.731 1.00 0.53 C ATOM 341 CD1 PHE A 22 -2.389 9.638 2.321 1.00 1.99 C ATOM 342 CD2 PHE A 22 -4.073 9.808 0.575 1.00 1.85 C ATOM 343 CE1 PHE A 22 -1.716 10.744 1.776 1.00 2.16 C ATOM 344 CE2 PHE A 22 -3.408 10.922 0.044 1.00 2.08 C ATOM 345 CZ PHE A 22 -2.226 11.390 0.639 1.00 1.39 C ATOM 0 H PHE A 22 -6.749 7.620 2.815 1.00 0.44 H new ATOM 0 HA PHE A 22 -4.470 7.630 4.440 1.00 0.48 H new ATOM 0 HB2 PHE A 22 -3.692 7.173 2.417 1.00 0.61 H new ATOM 0 HB3 PHE A 22 -5.156 7.757 1.653 1.00 0.61 H new ATOM 0 HD1 PHE A 22 -1.991 9.139 3.193 1.00 1.99 H new ATOM 0 HD2 PHE A 22 -4.964 9.432 0.095 1.00 1.85 H new ATOM 0 HE1 PHE A 22 -0.804 11.098 2.233 1.00 2.16 H new ATOM 0 HE2 PHE A 22 -3.807 11.422 -0.826 1.00 2.08 H new ATOM 0 HZ PHE A 22 -1.711 12.244 0.224 1.00 1.39 H new ATOM 355 N PRO A 23 -5.450 10.741 3.801 1.00 0.42 N ATOM 356 CA PRO A 23 -5.153 12.082 4.273 1.00 0.50 C ATOM 357 C PRO A 23 -5.424 12.224 5.772 1.00 0.53 C ATOM 358 O PRO A 23 -4.818 13.055 6.445 1.00 0.67 O ATOM 359 CB PRO A 23 -6.040 13.026 3.456 1.00 0.59 C ATOM 360 CG PRO A 23 -7.185 12.130 2.989 1.00 0.53 C ATOM 361 CD PRO A 23 -6.496 10.783 2.795 1.00 0.43 C ATOM 0 HA PRO A 23 -4.097 12.317 4.140 1.00 0.50 H new ATOM 0 HB2 PRO A 23 -6.403 13.858 4.060 1.00 0.59 H new ATOM 0 HB3 PRO A 23 -5.498 13.456 2.613 1.00 0.59 H new ATOM 0 HG2 PRO A 23 -7.983 12.074 3.729 1.00 0.53 H new ATOM 0 HG3 PRO A 23 -7.633 12.493 2.064 1.00 0.53 H new ATOM 0 HD2 PRO A 23 -7.199 9.959 2.923 1.00 0.43 H new ATOM 0 HD3 PRO A 23 -6.080 10.694 1.791 1.00 0.43 H new ATOM 369 N ARG A 24 -6.362 11.427 6.284 1.00 0.52 N ATOM 370 CA ARG A 24 -6.783 11.442 7.671 1.00 0.61 C ATOM 371 C ARG A 24 -5.739 10.735 8.534 1.00 0.61 C ATOM 372 O ARG A 24 -5.378 11.199 9.616 1.00 0.91 O ATOM 373 CB ARG A 24 -8.114 10.687 7.724 1.00 0.69 C ATOM 374 CG ARG A 24 -8.833 10.827 9.061 1.00 0.84 C ATOM 375 CD ARG A 24 -9.689 9.574 9.234 1.00 1.02 C ATOM 376 NE ARG A 24 -10.570 9.657 10.401 1.00 1.54 N ATOM 377 CZ ARG A 24 -11.254 8.609 10.867 1.00 2.10 C ATOM 378 NH1 ARG A 24 -11.137 7.422 10.267 1.00 2.47 N ATOM 379 NH2 ARG A 24 -12.054 8.760 11.927 1.00 2.75 N ATOM 0 H ARG A 24 -6.860 10.736 5.723 1.00 0.52 H new ATOM 0 HA ARG A 24 -6.893 12.459 8.047 1.00 0.61 H new ATOM 0 HB2 ARG A 24 -8.764 11.054 6.930 1.00 0.69 H new ATOM 0 HB3 ARG A 24 -7.933 9.631 7.525 1.00 0.69 H new ATOM 0 HG2 ARG A 24 -8.117 10.922 9.877 1.00 0.84 H new ATOM 0 HG3 ARG A 24 -9.453 11.724 9.075 1.00 0.84 H new ATOM 0 HD2 ARG A 24 -10.291 9.422 8.338 1.00 1.02 H new ATOM 0 HD3 ARG A 24 -9.039 8.704 9.333 1.00 1.02 H new ATOM 0 HE ARG A 24 -10.665 10.553 10.878 1.00 1.54 H new ATOM 0 HH11 ARG A 24 -10.527 7.318 9.456 1.00 2.47 H new ATOM 0 HH12 ARG A 24 -11.658 6.619 10.620 1.00 2.47 H new ATOM 0 HH21 ARG A 24 -12.140 9.672 12.376 1.00 2.75 H new ATOM 0 HH22 ARG A 24 -12.579 7.963 12.287 1.00 2.75 H new ATOM 393 N ASP A 25 -5.289 9.574 8.070 1.00 0.38 N ATOM 394 CA ASP A 25 -4.488 8.662 8.854 1.00 0.36 C ATOM 395 C ASP A 25 -3.045 9.096 8.693 1.00 0.33 C ATOM 396 O ASP A 25 -2.341 8.720 7.756 1.00 0.40 O ATOM 397 CB ASP A 25 -4.713 7.208 8.420 1.00 0.50 C ATOM 398 CG ASP A 25 -5.923 6.567 9.102 1.00 1.44 C ATOM 399 OD1 ASP A 25 -6.663 7.291 9.804 1.00 2.74 O ATOM 400 OD2 ASP A 25 -6.089 5.338 8.932 1.00 2.25 O ATOM 0 H ASP A 25 -5.477 9.242 7.124 1.00 0.38 H new ATOM 0 HA ASP A 25 -4.772 8.696 9.906 1.00 0.36 H new ATOM 0 HB2 ASP A 25 -4.850 7.173 7.339 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -3.821 6.624 8.647 1.00 0.50 H new ATOM 405 N LYS A 26 -2.590 9.895 9.654 1.00 0.38 N ATOM 406 CA LYS A 26 -1.262 10.488 9.655 1.00 0.45 C ATOM 407 C LYS A 26 -0.160 9.436 9.554 1.00 0.35 C ATOM 408 O LYS A 26 0.945 9.768 9.152 1.00 0.34 O ATOM 409 CB LYS A 26 -1.064 11.395 10.879 1.00 0.65 C ATOM 410 CG LYS A 26 -2.149 12.484 10.970 1.00 2.50 C ATOM 411 CD LYS A 26 -3.120 12.238 12.132 1.00 2.84 C ATOM 412 CE LYS A 26 -2.438 12.593 13.459 1.00 3.55 C ATOM 413 NZ LYS A 26 -3.280 12.251 14.626 1.00 4.42 N ATOM 0 H LYS A 26 -3.147 10.152 10.469 1.00 0.38 H new ATOM 0 HA LYS A 26 -1.186 11.108 8.762 1.00 0.45 H new ATOM 0 HB2 LYS A 26 -1.081 10.790 11.785 1.00 0.65 H new ATOM 0 HB3 LYS A 26 -0.082 11.865 10.827 1.00 0.65 H new ATOM 0 HG2 LYS A 26 -1.675 13.458 11.095 1.00 2.50 H new ATOM 0 HG3 LYS A 26 -2.706 12.518 10.034 1.00 2.50 H new ATOM 0 HD2 LYS A 26 -4.019 12.841 12.001 1.00 2.84 H new ATOM 0 HD3 LYS A 26 -3.434 11.194 12.141 1.00 2.84 H new ATOM 0 HE2 LYS A 26 -1.488 12.064 13.531 1.00 3.55 H new ATOM 0 HE3 LYS A 26 -2.211 13.659 13.476 1.00 3.55 H new ATOM 0 HZ1 LYS A 26 -2.781 12.508 15.501 1.00 4.42 H new ATOM 0 HZ2 LYS A 26 -4.177 12.775 14.573 1.00 4.42 H new ATOM 0 HZ3 LYS A 26 -3.475 11.230 14.626 1.00 4.42 H new ATOM 427 N PHE A 27 -0.452 8.178 9.881 1.00 0.34 N ATOM 428 CA PHE A 27 0.410 7.037 9.619 1.00 0.33 C ATOM 429 C PHE A 27 0.758 6.963 8.137 1.00 0.28 C ATOM 430 O PHE A 27 1.931 7.033 7.776 1.00 0.32 O ATOM 431 CB PHE A 27 -0.336 5.785 10.087 1.00 0.39 C ATOM 432 CG PHE A 27 0.483 4.522 9.998 1.00 0.39 C ATOM 433 CD1 PHE A 27 1.647 4.413 10.776 1.00 1.98 C ATOM 434 CD2 PHE A 27 0.097 3.464 9.152 1.00 1.75 C ATOM 435 CE1 PHE A 27 2.422 3.250 10.718 1.00 1.97 C ATOM 436 CE2 PHE A 27 0.869 2.290 9.104 1.00 1.77 C ATOM 437 CZ PHE A 27 2.027 2.183 9.893 1.00 0.44 C ATOM 0 H PHE A 27 -1.321 7.922 10.349 1.00 0.34 H new ATOM 0 HA PHE A 27 1.353 7.127 10.158 1.00 0.33 H new ATOM 0 HB2 PHE A 27 -0.656 5.928 11.119 1.00 0.39 H new ATOM 0 HB3 PHE A 27 -1.238 5.665 9.487 1.00 0.39 H new ATOM 0 HD1 PHE A 27 1.944 5.228 11.420 1.00 1.98 H new ATOM 0 HD2 PHE A 27 -0.790 3.554 8.542 1.00 1.75 H new ATOM 0 HE1 PHE A 27 3.324 3.172 11.307 1.00 1.97 H new ATOM 0 HE2 PHE A 27 0.573 1.473 8.463 1.00 1.77 H new ATOM 0 HZ PHE A 27 2.615 1.278 9.865 1.00 0.44 H new ATOM 447 N LEU A 28 -0.257 6.868 7.275 1.00 0.27 N ATOM 448 CA LEU A 28 -0.032 6.859 5.834 1.00 0.28 C ATOM 449 C LEU A 28 0.668 8.143 5.447 1.00 0.32 C ATOM 450 O LEU A 28 1.709 8.118 4.802 1.00 0.40 O ATOM 451 CB LEU A 28 -1.347 6.764 5.058 1.00 0.29 C ATOM 452 CG LEU A 28 -1.857 5.319 4.998 1.00 0.33 C ATOM 453 CD1 LEU A 28 -3.352 5.271 5.328 1.00 0.39 C ATOM 454 CD2 LEU A 28 -1.574 4.809 3.584 1.00 0.51 C ATOM 0 H LEU A 28 -1.236 6.797 7.551 1.00 0.27 H new ATOM 0 HA LEU A 28 0.574 5.987 5.587 1.00 0.28 H new ATOM 0 HB2 LEU A 28 -2.097 7.397 5.531 1.00 0.29 H new ATOM 0 HB3 LEU A 28 -1.203 7.143 4.046 1.00 0.29 H new ATOM 0 HG LEU A 28 -1.355 4.687 5.731 1.00 0.33 H new ATOM 0 HD11 LEU A 28 -3.702 4.240 5.282 1.00 0.39 H new ATOM 0 HD12 LEU A 28 -3.516 5.665 6.331 1.00 0.39 H new ATOM 0 HD13 LEU A 28 -3.903 5.874 4.606 1.00 0.39 H new ATOM 0 HD21 LEU A 28 -1.921 3.780 3.492 1.00 0.51 H new ATOM 0 HD22 LEU A 28 -2.097 5.434 2.860 1.00 0.51 H new ATOM 0 HD23 LEU A 28 -0.502 4.849 3.390 1.00 0.51 H new ATOM 466 N ARG A 29 0.084 9.273 5.840 1.00 0.31 N ATOM 467 CA ARG A 29 0.563 10.579 5.429 1.00 0.37 C ATOM 468 C ARG A 29 2.030 10.791 5.804 1.00 0.36 C ATOM 469 O ARG A 29 2.720 11.514 5.100 1.00 0.41 O ATOM 470 CB ARG A 29 -0.334 11.694 5.983 1.00 0.47 C ATOM 471 CG ARG A 29 -0.185 12.933 5.091 1.00 1.31 C ATOM 472 CD ARG A 29 -0.633 14.219 5.787 1.00 1.65 C ATOM 473 NE ARG A 29 0.064 15.366 5.181 1.00 2.40 N ATOM 474 CZ ARG A 29 0.363 16.518 5.795 1.00 2.96 C ATOM 475 NH1 ARG A 29 -0.186 16.808 6.973 1.00 3.37 N ATOM 476 NH2 ARG A 29 1.219 17.371 5.228 1.00 3.87 N ATOM 0 H ARG A 29 -0.732 9.303 6.451 1.00 0.31 H new ATOM 0 HA ARG A 29 0.508 10.622 4.341 1.00 0.37 H new ATOM 0 HB2 ARG A 29 -1.374 11.367 6.005 1.00 0.47 H new ATOM 0 HB3 ARG A 29 -0.053 11.931 7.009 1.00 0.47 H new ATOM 0 HG2 ARG A 29 0.857 13.033 4.787 1.00 1.31 H new ATOM 0 HG3 ARG A 29 -0.770 12.794 4.182 1.00 1.31 H new ATOM 0 HD2 ARG A 29 -1.712 14.342 5.691 1.00 1.65 H new ATOM 0 HD3 ARG A 29 -0.412 14.166 6.853 1.00 1.65 H new ATOM 0 HE ARG A 29 0.345 15.275 4.205 1.00 2.40 H new ATOM 0 HH11 ARG A 29 -0.835 16.152 7.408 1.00 3.37 H new ATOM 0 HH12 ARG A 29 0.042 17.686 7.440 1.00 3.37 H new ATOM 0 HH21 ARG A 29 1.644 17.145 4.329 1.00 3.87 H new ATOM 0 HH22 ARG A 29 1.448 18.249 5.694 1.00 3.87 H new ATOM 490 N SER A 30 2.528 10.199 6.889 1.00 0.33 N ATOM 491 CA SER A 30 3.924 10.366 7.267 1.00 0.36 C ATOM 492 C SER A 30 4.844 9.754 6.222 1.00 0.36 C ATOM 493 O SER A 30 5.916 10.300 5.964 1.00 0.50 O ATOM 494 CB SER A 30 4.196 9.747 8.639 1.00 0.45 C ATOM 495 OG SER A 30 3.622 10.551 9.645 1.00 1.65 O ATOM 0 H SER A 30 1.987 9.604 7.516 1.00 0.33 H new ATOM 0 HA SER A 30 4.128 11.435 7.325 1.00 0.36 H new ATOM 0 HB2 SER A 30 3.781 8.740 8.683 1.00 0.45 H new ATOM 0 HB3 SER A 30 5.270 9.656 8.801 1.00 0.45 H new ATOM 0 HG SER A 30 2.650 10.428 9.647 1.00 1.65 H new ATOM 501 N GLU A 31 4.465 8.623 5.625 1.00 0.30 N ATOM 502 CA GLU A 31 5.254 8.086 4.524 1.00 0.30 C ATOM 503 C GLU A 31 4.995 8.873 3.245 1.00 0.27 C ATOM 504 O GLU A 31 5.946 9.282 2.579 1.00 0.31 O ATOM 505 CB GLU A 31 4.998 6.586 4.341 1.00 0.37 C ATOM 506 CG GLU A 31 5.983 5.773 5.188 1.00 1.20 C ATOM 507 CD GLU A 31 7.419 5.998 4.720 1.00 1.60 C ATOM 508 OE1 GLU A 31 7.783 5.377 3.700 1.00 3.06 O ATOM 509 OE2 GLU A 31 8.109 6.830 5.359 1.00 2.35 O ATOM 0 H GLU A 31 3.641 8.077 5.878 1.00 0.30 H new ATOM 0 HA GLU A 31 6.310 8.199 4.768 1.00 0.30 H new ATOM 0 HB2 GLU A 31 3.975 6.347 4.630 1.00 0.37 H new ATOM 0 HB3 GLU A 31 5.103 6.317 3.290 1.00 0.37 H new ATOM 0 HG2 GLU A 31 5.889 6.058 6.236 1.00 1.20 H new ATOM 0 HG3 GLU A 31 5.737 4.713 5.122 1.00 1.20 H new ATOM 516 N ALA A 32 3.728 9.142 2.923 1.00 0.25 N ATOM 517 CA ALA A 32 3.354 9.855 1.709 1.00 0.28 C ATOM 518 C ALA A 32 4.120 11.179 1.605 1.00 0.34 C ATOM 519 O ALA A 32 4.572 11.568 0.528 1.00 0.40 O ATOM 520 CB ALA A 32 1.842 10.085 1.731 1.00 0.31 C ATOM 0 H ALA A 32 2.933 8.869 3.501 1.00 0.25 H new ATOM 0 HA ALA A 32 3.615 9.264 0.831 1.00 0.28 H new ATOM 0 HB1 ALA A 32 1.542 10.618 0.829 1.00 0.31 H new ATOM 0 HB2 ALA A 32 1.328 9.124 1.772 1.00 0.31 H new ATOM 0 HB3 ALA A 32 1.577 10.676 2.607 1.00 0.31 H new ATOM 526 N ALA A 33 4.320 11.843 2.747 1.00 0.37 N ATOM 527 CA ALA A 33 4.975 13.134 2.891 1.00 0.42 C ATOM 528 C ALA A 33 6.429 13.166 2.412 1.00 0.45 C ATOM 529 O ALA A 33 7.017 14.244 2.382 1.00 0.58 O ATOM 530 CB ALA A 33 4.874 13.594 4.351 1.00 0.47 C ATOM 0 H ALA A 33 4.009 11.468 3.643 1.00 0.37 H new ATOM 0 HA ALA A 33 4.447 13.824 2.233 1.00 0.42 H new ATOM 0 HB1 ALA A 33 5.364 14.561 4.462 1.00 0.47 H new ATOM 0 HB2 ALA A 33 3.825 13.684 4.632 1.00 0.47 H new ATOM 0 HB3 ALA A 33 5.361 12.864 4.997 1.00 0.47 H new ATOM 536 N LYS A 34 7.021 12.047 1.984 1.00 0.44 N ATOM 537 CA LYS A 34 8.339 12.075 1.389 1.00 0.47 C ATOM 538 C LYS A 34 8.217 12.492 -0.071 1.00 0.48 C ATOM 539 O LYS A 34 9.091 13.184 -0.580 1.00 0.63 O ATOM 540 CB LYS A 34 8.966 10.681 1.482 1.00 0.52 C ATOM 541 CG LYS A 34 9.687 10.467 2.817 1.00 0.60 C ATOM 542 CD LYS A 34 8.732 9.992 3.913 1.00 1.19 C ATOM 543 CE LYS A 34 9.409 10.165 5.269 1.00 1.71 C ATOM 544 NZ LYS A 34 8.691 9.419 6.318 1.00 2.84 N ATOM 0 H LYS A 34 6.602 11.119 2.043 1.00 0.44 H new ATOM 0 HA LYS A 34 8.972 12.788 1.918 1.00 0.47 H new ATOM 0 HB2 LYS A 34 8.190 9.925 1.363 1.00 0.52 H new ATOM 0 HB3 LYS A 34 9.672 10.545 0.662 1.00 0.52 H new ATOM 0 HG2 LYS A 34 10.483 9.733 2.686 1.00 0.60 H new ATOM 0 HG3 LYS A 34 10.160 11.399 3.127 1.00 0.60 H new ATOM 0 HD2 LYS A 34 7.805 10.564 3.879 1.00 1.19 H new ATOM 0 HD3 LYS A 34 8.467 8.947 3.755 1.00 1.19 H new ATOM 0 HE2 LYS A 34 10.440 9.817 5.211 1.00 1.71 H new ATOM 0 HE3 LYS A 34 9.444 11.223 5.529 1.00 1.71 H new ATOM 0 HZ1 LYS A 34 9.209 9.498 7.216 1.00 2.84 H new ATOM 0 HZ2 LYS A 34 7.736 9.814 6.433 1.00 2.84 H new ATOM 0 HZ3 LYS A 34 8.621 8.418 6.046 1.00 2.84 H new ATOM 558 N ASN A 35 7.149 12.078 -0.756 1.00 0.45 N ATOM 559 CA ASN A 35 6.959 12.417 -2.156 1.00 0.53 C ATOM 560 C ASN A 35 5.481 12.580 -2.456 1.00 0.50 C ATOM 561 O ASN A 35 4.976 11.944 -3.378 1.00 0.58 O ATOM 562 CB ASN A 35 7.601 11.340 -3.037 1.00 0.63 C ATOM 563 CG ASN A 35 8.023 11.879 -4.401 1.00 1.09 C ATOM 564 OD1 ASN A 35 9.201 11.888 -4.733 1.00 1.97 O ATOM 565 ND2 ASN A 35 7.092 12.352 -5.217 1.00 2.40 N ATOM 0 H ASN A 35 6.404 11.506 -0.357 1.00 0.45 H new ATOM 0 HA ASN A 35 7.446 13.367 -2.375 1.00 0.53 H new ATOM 0 HB2 ASN A 35 8.472 10.929 -2.527 1.00 0.63 H new ATOM 0 HB3 ASN A 35 6.896 10.520 -3.176 1.00 0.63 H new ATOM 0 HD21 ASN A 35 7.355 12.727 -6.128 1.00 2.40 H new ATOM 0 HD22 ASN A 35 6.112 12.341 -4.934 1.00 2.40 H new ATOM 572 N VAL A 36 4.804 13.462 -1.716 1.00 0.51 N ATOM 573 CA VAL A 36 3.394 13.778 -1.902 1.00 0.54 C ATOM 574 C VAL A 36 2.512 12.572 -1.555 1.00 0.48 C ATOM 575 O VAL A 36 1.893 12.569 -0.494 1.00 0.47 O ATOM 576 CB VAL A 36 3.186 14.418 -3.294 1.00 0.62 C ATOM 577 CG1 VAL A 36 1.773 14.259 -3.844 1.00 0.74 C ATOM 578 CG2 VAL A 36 3.548 15.904 -3.211 1.00 0.64 C ATOM 0 H VAL A 36 5.235 13.986 -0.954 1.00 0.51 H new ATOM 0 HA VAL A 36 3.060 14.539 -1.196 1.00 0.54 H new ATOM 0 HB VAL A 36 3.837 13.889 -3.990 1.00 0.62 H new ATOM 0 HG11 VAL A 36 1.708 14.734 -4.823 1.00 0.74 H new ATOM 0 HG12 VAL A 36 1.537 13.199 -3.939 1.00 0.74 H new ATOM 0 HG13 VAL A 36 1.063 14.730 -3.164 1.00 0.74 H new ATOM 0 HG21 VAL A 36 3.406 16.368 -4.187 1.00 0.64 H new ATOM 0 HG22 VAL A 36 2.906 16.394 -2.479 1.00 0.64 H new ATOM 0 HG23 VAL A 36 4.590 16.008 -2.908 1.00 0.64 H new ATOM 588 N ASP A 37 2.446 11.571 -2.436 1.00 0.46 N ATOM 589 CA ASP A 37 1.801 10.275 -2.205 1.00 0.43 C ATOM 590 C ASP A 37 2.304 9.259 -3.243 1.00 0.44 C ATOM 591 O ASP A 37 1.561 8.448 -3.800 1.00 0.53 O ATOM 592 CB ASP A 37 0.271 10.422 -2.245 1.00 0.54 C ATOM 593 CG ASP A 37 -0.439 9.223 -1.613 1.00 1.10 C ATOM 594 OD1 ASP A 37 0.221 8.499 -0.835 1.00 2.44 O ATOM 595 OD2 ASP A 37 -1.653 9.079 -1.882 1.00 2.21 O ATOM 0 H ASP A 37 2.857 11.643 -3.367 1.00 0.46 H new ATOM 0 HA ASP A 37 2.064 9.907 -1.213 1.00 0.43 H new ATOM 0 HB2 ASP A 37 -0.019 11.332 -1.720 1.00 0.54 H new ATOM 0 HB3 ASP A 37 -0.055 10.532 -3.279 1.00 0.54 H new ATOM 600 N ASN A 38 3.592 9.376 -3.572 1.00 0.42 N ATOM 601 CA ASN A 38 4.273 8.578 -4.584 1.00 0.46 C ATOM 602 C ASN A 38 5.226 7.565 -3.945 1.00 0.49 C ATOM 603 O ASN A 38 5.646 6.614 -4.595 1.00 0.67 O ATOM 604 CB ASN A 38 5.005 9.540 -5.529 1.00 0.47 C ATOM 605 CG ASN A 38 5.591 8.877 -6.766 1.00 2.05 C ATOM 606 OD1 ASN A 38 6.723 8.414 -6.766 1.00 3.61 O ATOM 607 ND2 ASN A 38 4.859 8.890 -7.874 1.00 2.72 N ATOM 0 H ASN A 38 4.208 10.054 -3.123 1.00 0.42 H new ATOM 0 HA ASN A 38 3.550 7.992 -5.151 1.00 0.46 H new ATOM 0 HB2 ASN A 38 4.311 10.320 -5.843 1.00 0.47 H new ATOM 0 HB3 ASN A 38 5.808 10.030 -4.979 1.00 0.47 H new ATOM 0 HD21 ASN A 38 5.239 8.510 -8.741 1.00 2.72 H new ATOM 0 HD22 ASN A 38 3.916 9.280 -7.858 1.00 2.72 H new ATOM 614 N TYR A 39 5.619 7.805 -2.688 1.00 0.46 N ATOM 615 CA TYR A 39 6.567 6.994 -1.943 1.00 0.50 C ATOM 616 C TYR A 39 5.814 6.500 -0.714 1.00 0.43 C ATOM 617 O TYR A 39 5.308 7.313 0.056 1.00 0.47 O ATOM 618 CB TYR A 39 7.787 7.826 -1.513 1.00 0.61 C ATOM 619 CG TYR A 39 8.902 8.020 -2.533 1.00 1.10 C ATOM 620 CD1 TYR A 39 8.632 8.255 -3.896 1.00 2.34 C ATOM 621 CD2 TYR A 39 10.242 7.986 -2.096 1.00 2.11 C ATOM 622 CE1 TYR A 39 9.677 8.463 -4.811 1.00 2.89 C ATOM 623 CE2 TYR A 39 11.295 8.183 -3.007 1.00 2.63 C ATOM 624 CZ TYR A 39 11.018 8.431 -4.368 1.00 2.56 C ATOM 625 OH TYR A 39 12.046 8.640 -5.238 1.00 3.30 O ATOM 0 H TYR A 39 5.269 8.598 -2.151 1.00 0.46 H new ATOM 0 HA TYR A 39 6.942 6.171 -2.552 1.00 0.50 H new ATOM 0 HB2 TYR A 39 7.432 8.811 -1.211 1.00 0.61 H new ATOM 0 HB3 TYR A 39 8.218 7.358 -0.628 1.00 0.61 H new ATOM 0 HD1 TYR A 39 7.609 8.275 -4.241 1.00 2.34 H new ATOM 0 HD2 TYR A 39 10.461 7.807 -1.054 1.00 2.11 H new ATOM 0 HE1 TYR A 39 9.456 8.647 -5.852 1.00 2.89 H new ATOM 0 HE2 TYR A 39 12.318 8.144 -2.664 1.00 2.63 H new ATOM 0 HH TYR A 39 12.898 8.582 -4.757 1.00 3.30 H new ATOM 635 N ILE A 40 5.688 5.181 -0.564 1.00 0.36 N ATOM 636 CA ILE A 40 5.010 4.547 0.555 1.00 0.31 C ATOM 637 C ILE A 40 5.830 3.303 0.903 1.00 0.27 C ATOM 638 O ILE A 40 5.784 2.340 0.139 1.00 0.29 O ATOM 639 CB ILE A 40 3.560 4.167 0.165 1.00 0.36 C ATOM 640 CG1 ILE A 40 2.723 5.339 -0.395 1.00 0.43 C ATOM 641 CG2 ILE A 40 2.859 3.585 1.405 1.00 0.48 C ATOM 642 CD1 ILE A 40 1.476 4.886 -1.170 1.00 0.50 C ATOM 0 H ILE A 40 6.065 4.513 -1.236 1.00 0.36 H new ATOM 0 HA ILE A 40 4.939 5.218 1.411 1.00 0.31 H new ATOM 0 HB ILE A 40 3.631 3.439 -0.644 1.00 0.36 H new ATOM 0 HG12 ILE A 40 2.415 5.982 0.430 1.00 0.43 H new ATOM 0 HG13 ILE A 40 3.350 5.942 -1.052 1.00 0.43 H new ATOM 0 HG21 ILE A 40 1.835 3.311 1.149 1.00 0.48 H new ATOM 0 HG22 ILE A 40 3.397 2.700 1.745 1.00 0.48 H new ATOM 0 HG23 ILE A 40 2.847 4.331 2.200 1.00 0.48 H new ATOM 0 HD11 ILE A 40 0.936 5.760 -1.534 1.00 0.50 H new ATOM 0 HD12 ILE A 40 1.778 4.268 -2.015 1.00 0.50 H new ATOM 0 HD13 ILE A 40 0.828 4.308 -0.511 1.00 0.50 H new ATOM 654 N SER A 41 6.598 3.298 1.998 1.00 0.29 N ATOM 655 CA SER A 41 7.413 2.134 2.294 1.00 0.29 C ATOM 656 C SER A 41 6.567 0.932 2.686 1.00 0.29 C ATOM 657 O SER A 41 5.578 1.047 3.413 1.00 0.32 O ATOM 658 CB SER A 41 8.474 2.411 3.358 1.00 0.41 C ATOM 659 OG SER A 41 9.385 1.330 3.291 1.00 1.32 O ATOM 0 H SER A 41 6.667 4.063 2.669 1.00 0.29 H new ATOM 0 HA SER A 41 7.936 1.896 1.368 1.00 0.29 H new ATOM 0 HB2 SER A 41 8.978 3.359 3.169 1.00 0.41 H new ATOM 0 HB3 SER A 41 8.024 2.482 4.348 1.00 0.41 H new ATOM 0 HG SER A 41 9.628 1.050 4.198 1.00 1.32 H new ATOM 665 N ILE A 42 7.030 -0.252 2.277 1.00 0.35 N ATOM 666 CA ILE A 42 6.473 -1.512 2.744 1.00 0.47 C ATOM 667 C ILE A 42 6.594 -1.672 4.253 1.00 0.50 C ATOM 668 O ILE A 42 5.967 -2.572 4.788 1.00 0.60 O ATOM 669 CB ILE A 42 7.070 -2.727 2.012 1.00 0.59 C ATOM 670 CG1 ILE A 42 8.596 -2.873 2.155 1.00 1.54 C ATOM 671 CG2 ILE A 42 6.663 -2.645 0.542 1.00 1.56 C ATOM 672 CD1 ILE A 42 8.977 -3.804 3.312 1.00 2.33 C ATOM 0 H ILE A 42 7.799 -0.358 1.615 1.00 0.35 H new ATOM 0 HA ILE A 42 5.411 -1.477 2.501 1.00 0.47 H new ATOM 0 HB ILE A 42 6.667 -3.623 2.484 1.00 0.59 H new ATOM 0 HG12 ILE A 42 9.012 -3.261 1.225 1.00 1.54 H new ATOM 0 HG13 ILE A 42 9.041 -1.891 2.318 1.00 1.54 H new ATOM 0 HG21 ILE A 42 7.075 -3.497 0.002 1.00 1.56 H new ATOM 0 HG22 ILE A 42 5.576 -2.658 0.464 1.00 1.56 H new ATOM 0 HG23 ILE A 42 7.047 -1.721 0.109 1.00 1.56 H new ATOM 0 HD11 ILE A 42 10.063 -3.878 3.377 1.00 2.33 H new ATOM 0 HD12 ILE A 42 8.584 -3.403 4.246 1.00 2.33 H new ATOM 0 HD13 ILE A 42 8.555 -4.794 3.137 1.00 2.33 H new ATOM 684 N ASP A 43 7.338 -0.825 4.966 1.00 0.47 N ATOM 685 CA ASP A 43 7.286 -0.848 6.424 1.00 0.55 C ATOM 686 C ASP A 43 5.887 -0.459 6.895 1.00 0.47 C ATOM 687 O ASP A 43 5.310 -1.128 7.745 1.00 0.50 O ATOM 688 CB ASP A 43 8.323 0.102 7.029 1.00 0.67 C ATOM 689 CG ASP A 43 9.743 -0.302 6.652 1.00 1.07 C ATOM 690 OD1 ASP A 43 10.299 -1.180 7.344 1.00 2.00 O ATOM 691 OD2 ASP A 43 10.238 0.268 5.653 1.00 2.02 O ATOM 0 H ASP A 43 7.969 -0.130 4.567 1.00 0.47 H new ATOM 0 HA ASP A 43 7.517 -1.859 6.759 1.00 0.55 H new ATOM 0 HB2 ASP A 43 8.130 1.118 6.685 1.00 0.67 H new ATOM 0 HB3 ASP A 43 8.222 0.108 8.114 1.00 0.67 H new ATOM 696 N VAL A 44 5.314 0.615 6.343 1.00 0.39 N ATOM 697 CA VAL A 44 3.993 1.095 6.705 1.00 0.37 C ATOM 698 C VAL A 44 2.965 0.040 6.311 1.00 0.32 C ATOM 699 O VAL A 44 2.091 -0.305 7.101 1.00 0.35 O ATOM 700 CB VAL A 44 3.764 2.472 6.043 1.00 0.37 C ATOM 701 CG1 VAL A 44 2.360 2.674 5.475 1.00 0.42 C ATOM 702 CG2 VAL A 44 4.055 3.578 7.061 1.00 0.53 C ATOM 0 H VAL A 44 5.768 1.177 5.623 1.00 0.39 H new ATOM 0 HA VAL A 44 3.892 1.246 7.780 1.00 0.37 H new ATOM 0 HB VAL A 44 4.447 2.515 5.194 1.00 0.37 H new ATOM 0 HG11 VAL A 44 2.287 3.666 5.030 1.00 0.42 H new ATOM 0 HG12 VAL A 44 2.163 1.919 4.714 1.00 0.42 H new ATOM 0 HG13 VAL A 44 1.627 2.581 6.276 1.00 0.42 H new ATOM 0 HG21 VAL A 44 3.894 4.551 6.597 1.00 0.53 H new ATOM 0 HG22 VAL A 44 3.388 3.470 7.917 1.00 0.53 H new ATOM 0 HG23 VAL A 44 5.090 3.502 7.395 1.00 0.53 H new ATOM 712 N ILE A 45 3.069 -0.487 5.091 1.00 0.30 N ATOM 713 CA ILE A 45 2.067 -1.397 4.551 1.00 0.32 C ATOM 714 C ILE A 45 2.139 -2.734 5.292 1.00 0.39 C ATOM 715 O ILE A 45 1.122 -3.345 5.601 1.00 0.45 O ATOM 716 CB ILE A 45 2.250 -1.569 3.030 1.00 0.38 C ATOM 717 CG1 ILE A 45 2.528 -0.246 2.276 1.00 0.44 C ATOM 718 CG2 ILE A 45 0.970 -2.191 2.448 1.00 0.43 C ATOM 719 CD1 ILE A 45 3.030 -0.466 0.846 1.00 0.51 C ATOM 0 H ILE A 45 3.844 -0.295 4.456 1.00 0.30 H new ATOM 0 HA ILE A 45 1.073 -0.977 4.705 1.00 0.32 H new ATOM 0 HB ILE A 45 3.124 -2.205 2.893 1.00 0.38 H new ATOM 0 HG12 ILE A 45 1.615 0.348 2.247 1.00 0.44 H new ATOM 0 HG13 ILE A 45 3.267 0.333 2.830 1.00 0.44 H new ATOM 0 HG21 ILE A 45 1.085 -2.319 1.372 1.00 0.43 H new ATOM 0 HG22 ILE A 45 0.794 -3.161 2.912 1.00 0.43 H new ATOM 0 HG23 ILE A 45 0.123 -1.534 2.647 1.00 0.43 H new ATOM 0 HD11 ILE A 45 3.207 0.499 0.370 1.00 0.51 H new ATOM 0 HD12 ILE A 45 3.960 -1.034 0.870 1.00 0.51 H new ATOM 0 HD13 ILE A 45 2.281 -1.019 0.279 1.00 0.51 H new ATOM 731 N ALA A 46 3.340 -3.197 5.622 1.00 0.41 N ATOM 732 CA ALA A 46 3.506 -4.368 6.462 1.00 0.51 C ATOM 733 C ALA A 46 3.006 -4.073 7.873 1.00 0.53 C ATOM 734 O ALA A 46 2.528 -4.971 8.559 1.00 0.67 O ATOM 735 CB ALA A 46 4.975 -4.802 6.492 1.00 0.56 C ATOM 0 H ALA A 46 4.216 -2.773 5.316 1.00 0.41 H new ATOM 0 HA ALA A 46 2.917 -5.185 6.046 1.00 0.51 H new ATOM 0 HB1 ALA A 46 5.082 -5.682 7.127 1.00 0.56 H new ATOM 0 HB2 ALA A 46 5.304 -5.042 5.481 1.00 0.56 H new ATOM 0 HB3 ALA A 46 5.586 -3.992 6.890 1.00 0.56 H new ATOM 741 N SER A 47 3.104 -2.821 8.314 1.00 0.47 N ATOM 742 CA SER A 47 2.687 -2.414 9.645 1.00 0.53 C ATOM 743 C SER A 47 1.242 -1.899 9.644 1.00 0.49 C ATOM 744 O SER A 47 0.790 -1.366 10.654 1.00 0.66 O ATOM 745 CB SER A 47 3.682 -1.373 10.172 1.00 0.57 C ATOM 746 OG SER A 47 3.413 -1.022 11.517 1.00 0.84 O ATOM 0 H SER A 47 3.478 -2.058 7.750 1.00 0.47 H new ATOM 0 HA SER A 47 2.694 -3.273 10.315 1.00 0.53 H new ATOM 0 HB2 SER A 47 4.695 -1.767 10.095 1.00 0.57 H new ATOM 0 HB3 SER A 47 3.639 -0.480 9.548 1.00 0.57 H new ATOM 0 HG SER A 47 2.444 -0.974 11.655 1.00 0.84 H new ATOM 752 N PHE A 48 0.465 -2.113 8.574 1.00 0.38 N ATOM 753 CA PHE A 48 -0.935 -1.694 8.537 1.00 0.39 C ATOM 754 C PHE A 48 -1.836 -2.527 9.455 1.00 0.44 C ATOM 755 O PHE A 48 -3.045 -2.296 9.479 1.00 0.81 O ATOM 756 CB PHE A 48 -1.477 -1.792 7.098 1.00 0.37 C ATOM 757 CG PHE A 48 -1.833 -0.501 6.423 1.00 0.37 C ATOM 758 CD1 PHE A 48 -2.482 0.527 7.129 1.00 1.90 C ATOM 759 CD2 PHE A 48 -1.607 -0.390 5.040 1.00 1.96 C ATOM 760 CE1 PHE A 48 -2.897 1.674 6.442 1.00 1.90 C ATOM 761 CE2 PHE A 48 -2.034 0.749 4.351 1.00 2.04 C ATOM 762 CZ PHE A 48 -2.686 1.766 5.058 1.00 0.69 C ATOM 0 H PHE A 48 0.786 -2.575 7.723 1.00 0.38 H new ATOM 0 HA PHE A 48 -0.956 -0.664 8.894 1.00 0.39 H new ATOM 0 HB2 PHE A 48 -0.731 -2.301 6.487 1.00 0.37 H new ATOM 0 HB3 PHE A 48 -2.364 -2.425 7.111 1.00 0.37 H new ATOM 0 HD1 PHE A 48 -2.659 0.433 8.190 1.00 1.90 H new ATOM 0 HD2 PHE A 48 -1.103 -1.185 4.510 1.00 1.96 H new ATOM 0 HE1 PHE A 48 -3.376 2.483 6.974 1.00 1.90 H new ATOM 0 HE2 PHE A 48 -1.863 0.843 3.289 1.00 2.04 H new ATOM 0 HZ PHE A 48 -3.034 2.640 4.527 1.00 0.69 H new ATOM 772 N ASN A 49 -1.281 -3.534 10.141 1.00 0.42 N ATOM 773 CA ASN A 49 -1.974 -4.610 10.836 1.00 0.49 C ATOM 774 C ASN A 49 -2.751 -5.475 9.851 1.00 0.50 C ATOM 775 O ASN A 49 -2.396 -6.630 9.655 1.00 0.49 O ATOM 776 CB ASN A 49 -2.845 -4.101 11.992 1.00 0.67 C ATOM 777 CG ASN A 49 -3.149 -5.185 13.026 1.00 1.18 C ATOM 778 OD1 ASN A 49 -3.310 -6.450 12.646 1.00 1.75 O flip ATOM 779 ND2 ASN A 49 -3.240 -4.890 14.209 1.00 2.97 N flip ATOM 0 H ASN A 49 -0.268 -3.618 10.227 1.00 0.42 H new ATOM 0 HA ASN A 49 -1.218 -5.242 11.301 1.00 0.49 H new ATOM 0 HB2 ASN A 49 -2.340 -3.269 12.482 1.00 0.67 H new ATOM 0 HB3 ASN A 49 -3.782 -3.714 11.592 1.00 0.67 H new ATOM 0 HD21 ASN A 49 -3.117 -3.921 14.504 1.00 2.97 H new ATOM 0 HD22 ASN A 49 -3.439 -5.613 14.901 1.00 2.97 H new ATOM 786 N ARG A 50 -3.824 -4.954 9.260 1.00 0.55 N ATOM 787 CA ARG A 50 -4.739 -5.700 8.408 1.00 0.55 C ATOM 788 C ARG A 50 -4.041 -6.297 7.187 1.00 0.48 C ATOM 789 O ARG A 50 -4.384 -7.383 6.740 1.00 0.50 O ATOM 790 CB ARG A 50 -5.876 -4.756 7.998 1.00 0.61 C ATOM 791 CG ARG A 50 -7.103 -5.546 7.552 1.00 0.88 C ATOM 792 CD ARG A 50 -8.126 -4.603 6.919 1.00 0.88 C ATOM 793 NE ARG A 50 -9.353 -5.335 6.589 1.00 1.76 N ATOM 794 CZ ARG A 50 -10.444 -5.467 7.349 1.00 2.13 C ATOM 795 NH1 ARG A 50 -10.511 -4.887 8.547 1.00 2.72 N ATOM 796 NH2 ARG A 50 -11.464 -6.197 6.897 1.00 2.99 N ATOM 0 H ARG A 50 -4.086 -3.974 9.365 1.00 0.55 H new ATOM 0 HA ARG A 50 -5.136 -6.550 8.963 1.00 0.55 H new ATOM 0 HB2 ARG A 50 -6.139 -4.110 8.836 1.00 0.61 H new ATOM 0 HB3 ARG A 50 -5.542 -4.107 7.188 1.00 0.61 H new ATOM 0 HG2 ARG A 50 -6.811 -6.314 6.836 1.00 0.88 H new ATOM 0 HG3 ARG A 50 -7.547 -6.058 8.406 1.00 0.88 H new ATOM 0 HD2 ARG A 50 -8.354 -3.788 7.606 1.00 0.88 H new ATOM 0 HD3 ARG A 50 -7.708 -4.154 6.018 1.00 0.88 H new ATOM 0 HE ARG A 50 -9.376 -5.794 5.679 1.00 1.76 H new ATOM 0 HH11 ARG A 50 -9.725 -4.336 8.892 1.00 2.72 H new ATOM 0 HH12 ARG A 50 -11.349 -4.994 9.119 1.00 2.72 H new ATOM 0 HH21 ARG A 50 -11.405 -6.645 5.983 1.00 2.99 H new ATOM 0 HH22 ARG A 50 -12.304 -6.307 7.465 1.00 2.99 H new ATOM 810 N MET A 51 -3.072 -5.592 6.610 1.00 0.44 N ATOM 811 CA MET A 51 -2.278 -6.136 5.516 1.00 0.42 C ATOM 812 C MET A 51 -1.379 -7.241 6.059 1.00 0.42 C ATOM 813 O MET A 51 -1.207 -8.267 5.407 1.00 0.52 O ATOM 814 CB MET A 51 -1.429 -5.058 4.832 1.00 0.48 C ATOM 815 CG MET A 51 -2.071 -4.481 3.567 1.00 0.85 C ATOM 816 SD MET A 51 -3.282 -3.157 3.797 1.00 1.65 S ATOM 817 CE MET A 51 -4.796 -4.118 3.992 1.00 1.89 C ATOM 0 H MET A 51 -2.819 -4.642 6.883 1.00 0.44 H new ATOM 0 HA MET A 51 -2.959 -6.536 4.764 1.00 0.42 H new ATOM 0 HB2 MET A 51 -1.247 -4.248 5.539 1.00 0.48 H new ATOM 0 HB3 MET A 51 -0.458 -5.481 4.576 1.00 0.48 H new ATOM 0 HG2 MET A 51 -1.275 -4.105 2.923 1.00 0.85 H new ATOM 0 HG3 MET A 51 -2.557 -5.296 3.031 1.00 0.85 H new ATOM 0 HE1 MET A 51 -5.660 -3.460 3.894 1.00 1.89 H new ATOM 0 HE2 MET A 51 -4.839 -4.890 3.223 1.00 1.89 H new ATOM 0 HE3 MET A 51 -4.806 -4.586 4.977 1.00 1.89 H new ATOM 827 N LYS A 52 -0.787 -7.063 7.244 1.00 0.37 N ATOM 828 CA LYS A 52 0.075 -8.094 7.806 1.00 0.41 C ATOM 829 C LYS A 52 -0.703 -9.389 7.960 1.00 0.48 C ATOM 830 O LYS A 52 -0.201 -10.445 7.599 1.00 0.62 O ATOM 831 CB LYS A 52 0.669 -7.664 9.154 1.00 0.44 C ATOM 832 CG LYS A 52 1.918 -8.496 9.480 1.00 0.63 C ATOM 833 CD LYS A 52 3.134 -8.092 8.630 1.00 2.37 C ATOM 834 CE LYS A 52 4.000 -9.306 8.269 1.00 2.78 C ATOM 835 NZ LYS A 52 4.511 -10.011 9.464 1.00 2.84 N ATOM 0 H LYS A 52 -0.889 -6.228 7.821 1.00 0.37 H new ATOM 0 HA LYS A 52 0.906 -8.251 7.118 1.00 0.41 H new ATOM 0 HB2 LYS A 52 0.927 -6.606 9.123 1.00 0.44 H new ATOM 0 HB3 LYS A 52 -0.074 -7.788 9.942 1.00 0.44 H new ATOM 0 HG2 LYS A 52 2.162 -8.380 10.536 1.00 0.63 H new ATOM 0 HG3 LYS A 52 1.700 -9.552 9.318 1.00 0.63 H new ATOM 0 HD2 LYS A 52 2.794 -7.603 7.717 1.00 2.37 H new ATOM 0 HD3 LYS A 52 3.735 -7.365 9.176 1.00 2.37 H new ATOM 0 HE2 LYS A 52 3.415 -9.999 7.665 1.00 2.78 H new ATOM 0 HE3 LYS A 52 4.840 -8.980 7.656 1.00 2.78 H new ATOM 0 HZ1 LYS A 52 5.131 -10.792 9.168 1.00 2.84 H new ATOM 0 HZ2 LYS A 52 5.050 -9.346 10.055 1.00 2.84 H new ATOM 0 HZ3 LYS A 52 3.712 -10.391 10.011 1.00 2.84 H new ATOM 849 N THR A 53 -1.919 -9.314 8.488 1.00 0.46 N ATOM 850 CA THR A 53 -2.728 -10.484 8.748 1.00 0.55 C ATOM 851 C THR A 53 -3.204 -11.095 7.439 1.00 0.57 C ATOM 852 O THR A 53 -2.999 -12.287 7.221 1.00 0.68 O ATOM 853 CB THR A 53 -3.878 -10.082 9.672 1.00 0.60 C ATOM 854 OG1 THR A 53 -4.517 -8.918 9.204 1.00 0.60 O ATOM 855 CG2 THR A 53 -3.289 -9.774 11.046 1.00 0.63 C ATOM 0 H THR A 53 -2.367 -8.435 8.746 1.00 0.46 H new ATOM 0 HA THR A 53 -2.146 -11.256 9.250 1.00 0.55 H new ATOM 0 HB THR A 53 -4.604 -10.894 9.711 1.00 0.60 H new ATOM 0 HG1 THR A 53 -5.250 -8.681 9.810 1.00 0.60 H new ATOM 0 HG21 THR A 53 -4.088 -9.484 11.728 1.00 0.63 H new ATOM 0 HG22 THR A 53 -2.786 -10.660 11.433 1.00 0.63 H new ATOM 0 HG23 THR A 53 -2.571 -8.958 10.960 1.00 0.63 H new ATOM 863 N ILE A 54 -3.803 -10.299 6.548 1.00 0.50 N ATOM 864 CA ILE A 54 -4.335 -10.845 5.299 1.00 0.57 C ATOM 865 C ILE A 54 -3.211 -11.507 4.499 1.00 0.57 C ATOM 866 O ILE A 54 -3.422 -12.541 3.870 1.00 0.64 O ATOM 867 CB ILE A 54 -5.077 -9.762 4.489 1.00 0.61 C ATOM 868 CG1 ILE A 54 -6.353 -9.335 5.238 1.00 0.65 C ATOM 869 CG2 ILE A 54 -5.474 -10.289 3.098 1.00 0.72 C ATOM 870 CD1 ILE A 54 -6.967 -8.051 4.669 1.00 1.91 C ATOM 0 H ILE A 54 -3.930 -9.294 6.665 1.00 0.50 H new ATOM 0 HA ILE A 54 -5.073 -11.613 5.531 1.00 0.57 H new ATOM 0 HB ILE A 54 -4.406 -8.912 4.369 1.00 0.61 H new ATOM 0 HG12 ILE A 54 -7.087 -10.139 5.186 1.00 0.65 H new ATOM 0 HG13 ILE A 54 -6.119 -9.186 6.292 1.00 0.65 H new ATOM 0 HG21 ILE A 54 -5.996 -9.506 2.548 1.00 0.72 H new ATOM 0 HG22 ILE A 54 -4.578 -10.582 2.551 1.00 0.72 H new ATOM 0 HG23 ILE A 54 -6.130 -11.152 3.210 1.00 0.72 H new ATOM 0 HD11 ILE A 54 -7.864 -7.795 5.234 1.00 1.91 H new ATOM 0 HD12 ILE A 54 -6.246 -7.238 4.746 1.00 1.91 H new ATOM 0 HD13 ILE A 54 -7.229 -8.206 3.622 1.00 1.91 H new ATOM 882 N SER A 55 -2.015 -10.920 4.507 1.00 0.51 N ATOM 883 CA SER A 55 -0.901 -11.484 3.756 1.00 0.53 C ATOM 884 C SER A 55 -0.381 -12.731 4.432 1.00 0.58 C ATOM 885 O SER A 55 -0.019 -13.694 3.761 1.00 0.64 O ATOM 886 CB SER A 55 0.230 -10.462 3.597 1.00 0.53 C ATOM 887 OG SER A 55 0.849 -10.152 4.826 1.00 2.15 O ATOM 0 H SER A 55 -1.797 -10.065 5.019 1.00 0.51 H new ATOM 0 HA SER A 55 -1.268 -11.748 2.764 1.00 0.53 H new ATOM 0 HB2 SER A 55 0.976 -10.854 2.906 1.00 0.53 H new ATOM 0 HB3 SER A 55 -0.168 -9.550 3.153 1.00 0.53 H new ATOM 0 HG SER A 55 0.324 -9.469 5.294 1.00 2.15 H new ATOM 893 N THR A 56 -0.264 -12.650 5.756 1.00 0.60 N ATOM 894 CA THR A 56 0.472 -13.569 6.595 1.00 0.67 C ATOM 895 C THR A 56 1.979 -13.599 6.277 1.00 0.68 C ATOM 896 O THR A 56 2.744 -14.191 7.033 1.00 0.87 O ATOM 897 CB THR A 56 -0.255 -14.920 6.538 1.00 0.75 C ATOM 898 OG1 THR A 56 -1.513 -14.771 7.165 1.00 0.76 O ATOM 899 CG2 THR A 56 0.468 -16.064 7.253 1.00 0.94 C ATOM 0 H THR A 56 -0.705 -11.902 6.291 1.00 0.60 H new ATOM 0 HA THR A 56 0.477 -13.237 7.633 1.00 0.67 H new ATOM 0 HB THR A 56 -0.317 -15.185 5.483 1.00 0.75 H new ATOM 0 HG1 THR A 56 -1.853 -13.866 7.005 1.00 0.76 H new ATOM 0 HG21 THR A 56 -0.118 -16.979 7.161 1.00 0.94 H new ATOM 0 HG22 THR A 56 1.448 -16.214 6.801 1.00 0.94 H new ATOM 0 HG23 THR A 56 0.589 -15.815 8.307 1.00 0.94 H new ATOM 907 N ASP A 57 2.453 -12.933 5.218 1.00 0.57 N ATOM 908 CA ASP A 57 3.818 -13.059 4.749 1.00 0.60 C ATOM 909 C ASP A 57 4.152 -11.832 3.899 1.00 0.56 C ATOM 910 O ASP A 57 3.374 -11.429 3.033 1.00 0.60 O ATOM 911 CB ASP A 57 3.949 -14.346 3.925 1.00 0.68 C ATOM 912 CG ASP A 57 5.392 -14.618 3.508 1.00 0.77 C ATOM 913 OD1 ASP A 57 6.250 -13.752 3.796 1.00 1.78 O ATOM 914 OD2 ASP A 57 5.610 -15.662 2.863 1.00 2.00 O ATOM 0 H ASP A 57 1.887 -12.289 4.665 1.00 0.57 H new ATOM 0 HA ASP A 57 4.513 -13.114 5.587 1.00 0.60 H new ATOM 0 HB2 ASP A 57 3.576 -15.188 4.508 1.00 0.68 H new ATOM 0 HB3 ASP A 57 3.323 -14.272 3.036 1.00 0.68 H new ATOM 919 N LEU A 58 5.330 -11.251 4.123 1.00 0.53 N ATOM 920 CA LEU A 58 5.844 -10.131 3.347 1.00 0.51 C ATOM 921 C LEU A 58 5.996 -10.490 1.876 1.00 0.50 C ATOM 922 O LEU A 58 5.971 -9.615 1.022 1.00 0.49 O ATOM 923 CB LEU A 58 7.189 -9.654 3.910 1.00 0.58 C ATOM 924 CG LEU A 58 7.037 -8.973 5.280 1.00 0.64 C ATOM 925 CD1 LEU A 58 7.859 -9.706 6.343 1.00 1.04 C ATOM 926 CD2 LEU A 58 7.491 -7.514 5.207 1.00 1.00 C ATOM 0 H LEU A 58 5.963 -11.554 4.863 1.00 0.53 H new ATOM 0 HA LEU A 58 5.117 -9.322 3.425 1.00 0.51 H new ATOM 0 HB2 LEU A 58 7.864 -10.505 4.002 1.00 0.58 H new ATOM 0 HB3 LEU A 58 7.648 -8.957 3.209 1.00 0.58 H new ATOM 0 HG LEU A 58 5.983 -9.009 5.556 1.00 0.64 H new ATOM 0 HD11 LEU A 58 7.737 -9.208 7.305 1.00 1.04 H new ATOM 0 HD12 LEU A 58 7.514 -10.737 6.422 1.00 1.04 H new ATOM 0 HD13 LEU A 58 8.912 -9.696 6.060 1.00 1.04 H new ATOM 0 HD21 LEU A 58 7.376 -7.048 6.186 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.538 -7.473 4.906 1.00 1.00 H new ATOM 0 HD23 LEU A 58 6.883 -6.980 4.477 1.00 1.00 H new ATOM 938 N GLN A 59 6.134 -11.767 1.554 1.00 0.52 N ATOM 939 CA GLN A 59 6.224 -12.246 0.191 1.00 0.53 C ATOM 940 C GLN A 59 4.916 -11.943 -0.519 1.00 0.47 C ATOM 941 O GLN A 59 4.924 -11.461 -1.649 1.00 0.53 O ATOM 942 CB GLN A 59 6.499 -13.750 0.222 1.00 0.60 C ATOM 943 CG GLN A 59 6.575 -14.397 -1.169 1.00 0.60 C ATOM 944 CD GLN A 59 7.648 -13.771 -2.054 1.00 1.85 C ATOM 945 OE1 GLN A 59 8.780 -14.233 -2.097 1.00 2.67 O ATOM 946 NE2 GLN A 59 7.320 -12.709 -2.780 1.00 3.06 N ATOM 0 H GLN A 59 6.187 -12.511 2.250 1.00 0.52 H new ATOM 0 HA GLN A 59 7.033 -11.753 -0.347 1.00 0.53 H new ATOM 0 HB2 GLN A 59 7.438 -13.927 0.746 1.00 0.60 H new ATOM 0 HB3 GLN A 59 5.715 -14.241 0.798 1.00 0.60 H new ATOM 0 HG2 GLN A 59 6.778 -15.462 -1.059 1.00 0.60 H new ATOM 0 HG3 GLN A 59 5.606 -14.306 -1.661 1.00 0.60 H new ATOM 0 HE21 GLN A 59 6.373 -12.333 -2.735 1.00 3.06 H new ATOM 0 HE22 GLN A 59 8.015 -12.269 -3.383 1.00 3.06 H new ATOM 955 N LEU A 60 3.789 -12.238 0.128 1.00 0.41 N ATOM 956 CA LEU A 60 2.473 -12.033 -0.455 1.00 0.41 C ATOM 957 C LEU A 60 2.138 -10.547 -0.446 1.00 0.35 C ATOM 958 O LEU A 60 1.505 -10.056 -1.371 1.00 0.36 O ATOM 959 CB LEU A 60 1.444 -12.877 0.315 1.00 0.51 C ATOM 960 CG LEU A 60 0.329 -13.486 -0.546 1.00 0.70 C ATOM 961 CD1 LEU A 60 -0.582 -12.452 -1.201 1.00 2.34 C ATOM 962 CD2 LEU A 60 0.873 -14.442 -1.614 1.00 1.72 C ATOM 0 H LEU A 60 3.768 -12.626 1.071 1.00 0.41 H new ATOM 0 HA LEU A 60 2.455 -12.360 -1.495 1.00 0.41 H new ATOM 0 HB2 LEU A 60 1.969 -13.684 0.827 1.00 0.51 H new ATOM 0 HB3 LEU A 60 0.989 -12.254 1.085 1.00 0.51 H new ATOM 0 HG LEU A 60 -0.278 -14.051 0.162 1.00 0.70 H new ATOM 0 HD11 LEU A 60 -1.344 -12.961 -1.792 1.00 2.34 H new ATOM 0 HD12 LEU A 60 -1.063 -11.850 -0.430 1.00 2.34 H new ATOM 0 HD13 LEU A 60 0.009 -11.805 -1.850 1.00 2.34 H new ATOM 0 HD21 LEU A 60 0.045 -14.846 -2.196 1.00 1.72 H new ATOM 0 HD22 LEU A 60 1.551 -13.902 -2.274 1.00 1.72 H new ATOM 0 HD23 LEU A 60 1.410 -15.259 -1.132 1.00 1.72 H new ATOM 974 N ILE A 61 2.593 -9.798 0.561 1.00 0.34 N ATOM 975 CA ILE A 61 2.421 -8.345 0.543 1.00 0.35 C ATOM 976 C ILE A 61 3.198 -7.747 -0.637 1.00 0.38 C ATOM 977 O ILE A 61 2.728 -6.834 -1.314 1.00 0.38 O ATOM 978 CB ILE A 61 2.794 -7.741 1.921 1.00 0.40 C ATOM 979 CG1 ILE A 61 1.631 -6.898 2.468 1.00 0.45 C ATOM 980 CG2 ILE A 61 4.090 -6.913 1.968 1.00 0.53 C ATOM 981 CD1 ILE A 61 1.357 -5.628 1.657 1.00 0.80 C ATOM 0 H ILE A 61 3.074 -10.164 1.383 1.00 0.34 H new ATOM 0 HA ILE A 61 1.374 -8.086 0.383 1.00 0.35 H new ATOM 0 HB ILE A 61 2.987 -8.611 2.548 1.00 0.40 H new ATOM 0 HG12 ILE A 61 0.728 -7.509 2.486 1.00 0.45 H new ATOM 0 HG13 ILE A 61 1.849 -6.620 3.499 1.00 0.45 H new ATOM 0 HG21 ILE A 61 4.248 -6.542 2.981 1.00 0.53 H new ATOM 0 HG22 ILE A 61 4.933 -7.539 1.675 1.00 0.53 H new ATOM 0 HG23 ILE A 61 4.008 -6.070 1.282 1.00 0.53 H new ATOM 0 HD11 ILE A 61 0.524 -5.085 2.102 1.00 0.80 H new ATOM 0 HD12 ILE A 61 2.245 -4.996 1.660 1.00 0.80 H new ATOM 0 HD13 ILE A 61 1.107 -5.898 0.631 1.00 0.80 H new ATOM 993 N THR A 62 4.394 -8.272 -0.899 1.00 0.43 N ATOM 994 CA THR A 62 5.250 -7.745 -1.951 1.00 0.48 C ATOM 995 C THR A 62 4.684 -8.151 -3.304 1.00 0.49 C ATOM 996 O THR A 62 4.723 -7.360 -4.241 1.00 0.54 O ATOM 997 CB THR A 62 6.702 -8.202 -1.758 1.00 0.53 C ATOM 998 OG1 THR A 62 7.197 -7.636 -0.565 1.00 1.07 O ATOM 999 CG2 THR A 62 7.621 -7.719 -2.883 1.00 1.10 C ATOM 0 H THR A 62 4.790 -9.064 -0.393 1.00 0.43 H new ATOM 0 HA THR A 62 5.266 -6.656 -1.904 1.00 0.48 H new ATOM 0 HB THR A 62 6.697 -9.292 -1.742 1.00 0.53 H new ATOM 0 HG1 THR A 62 6.908 -8.178 0.199 1.00 1.07 H new ATOM 0 HG21 THR A 62 8.637 -8.069 -2.699 1.00 1.10 H new ATOM 0 HG22 THR A 62 7.268 -8.114 -3.836 1.00 1.10 H new ATOM 0 HG23 THR A 62 7.613 -6.630 -2.917 1.00 1.10 H new ATOM 1007 N GLU A 63 4.129 -9.360 -3.423 1.00 0.47 N ATOM 1008 CA GLU A 63 3.499 -9.764 -4.668 1.00 0.49 C ATOM 1009 C GLU A 63 2.310 -8.865 -4.927 1.00 0.42 C ATOM 1010 O GLU A 63 2.157 -8.377 -6.040 1.00 0.38 O ATOM 1011 CB GLU A 63 3.063 -11.233 -4.650 1.00 0.59 C ATOM 1012 CG GLU A 63 2.684 -11.658 -6.083 1.00 0.64 C ATOM 1013 CD GLU A 63 1.680 -12.807 -6.182 1.00 1.21 C ATOM 1014 OE1 GLU A 63 0.923 -13.035 -5.214 1.00 2.50 O ATOM 1015 OE2 GLU A 63 1.603 -13.392 -7.287 1.00 2.08 O ATOM 0 H GLU A 63 4.106 -10.061 -2.682 1.00 0.47 H new ATOM 0 HA GLU A 63 4.231 -9.665 -5.470 1.00 0.49 H new ATOM 0 HB2 GLU A 63 3.869 -11.861 -4.271 1.00 0.59 H new ATOM 0 HB3 GLU A 63 2.214 -11.366 -3.980 1.00 0.59 H new ATOM 0 HG2 GLU A 63 2.273 -10.793 -6.604 1.00 0.64 H new ATOM 0 HG3 GLU A 63 3.593 -11.946 -6.611 1.00 0.64 H new ATOM 1022 N ALA A 64 1.491 -8.614 -3.908 1.00 0.42 N ATOM 1023 CA ALA A 64 0.297 -7.803 -4.093 1.00 0.41 C ATOM 1024 C ALA A 64 0.685 -6.445 -4.665 1.00 0.36 C ATOM 1025 O ALA A 64 0.081 -5.951 -5.613 1.00 0.37 O ATOM 1026 CB ALA A 64 -0.429 -7.618 -2.770 1.00 0.44 C ATOM 0 H ALA A 64 1.632 -8.957 -2.958 1.00 0.42 H new ATOM 0 HA ALA A 64 -0.371 -8.312 -4.788 1.00 0.41 H new ATOM 0 HB1 ALA A 64 -1.320 -7.009 -2.926 1.00 0.44 H new ATOM 0 HB2 ALA A 64 -0.719 -8.592 -2.375 1.00 0.44 H new ATOM 0 HB3 ALA A 64 0.231 -7.120 -2.059 1.00 0.44 H new ATOM 1032 N LEU A 65 1.729 -5.836 -4.106 1.00 0.35 N ATOM 1033 CA LEU A 65 2.205 -4.559 -4.598 1.00 0.33 C ATOM 1034 C LEU A 65 2.718 -4.708 -6.027 1.00 0.32 C ATOM 1035 O LEU A 65 2.445 -3.864 -6.876 1.00 0.32 O ATOM 1036 CB LEU A 65 3.291 -4.028 -3.662 1.00 0.35 C ATOM 1037 CG LEU A 65 2.694 -3.440 -2.379 1.00 0.37 C ATOM 1038 CD1 LEU A 65 3.796 -3.259 -1.339 1.00 0.47 C ATOM 1039 CD2 LEU A 65 2.066 -2.067 -2.645 1.00 0.36 C ATOM 0 H LEU A 65 2.255 -6.210 -3.316 1.00 0.35 H new ATOM 0 HA LEU A 65 1.387 -3.839 -4.615 1.00 0.33 H new ATOM 0 HB2 LEU A 65 3.978 -4.835 -3.407 1.00 0.35 H new ATOM 0 HB3 LEU A 65 3.873 -3.263 -4.176 1.00 0.35 H new ATOM 0 HG LEU A 65 1.928 -4.128 -2.020 1.00 0.37 H new ATOM 0 HD11 LEU A 65 3.370 -2.841 -0.427 1.00 0.47 H new ATOM 0 HD12 LEU A 65 4.250 -4.225 -1.118 1.00 0.47 H new ATOM 0 HD13 LEU A 65 4.556 -2.582 -1.728 1.00 0.47 H new ATOM 0 HD21 LEU A 65 1.650 -1.672 -1.718 1.00 0.36 H new ATOM 0 HD22 LEU A 65 2.829 -1.385 -3.020 1.00 0.36 H new ATOM 0 HD23 LEU A 65 1.273 -2.167 -3.386 1.00 0.36 H new ATOM 1051 N LYS A 66 3.439 -5.787 -6.324 1.00 0.38 N ATOM 1052 CA LYS A 66 3.944 -6.048 -7.668 1.00 0.43 C ATOM 1053 C LYS A 66 2.801 -6.261 -8.664 1.00 0.46 C ATOM 1054 O LYS A 66 2.986 -6.047 -9.859 1.00 0.57 O ATOM 1055 CB LYS A 66 4.916 -7.233 -7.623 1.00 0.46 C ATOM 1056 CG LYS A 66 5.745 -7.306 -8.907 1.00 0.85 C ATOM 1057 CD LYS A 66 6.796 -8.416 -8.814 1.00 1.13 C ATOM 1058 CE LYS A 66 7.711 -8.407 -10.045 1.00 1.73 C ATOM 1059 NZ LYS A 66 6.958 -8.602 -11.303 1.00 2.79 N ATOM 0 H LYS A 66 3.688 -6.503 -5.641 1.00 0.38 H new ATOM 0 HA LYS A 66 4.490 -5.175 -8.025 1.00 0.43 H new ATOM 0 HB2 LYS A 66 5.578 -7.133 -6.763 1.00 0.46 H new ATOM 0 HB3 LYS A 66 4.359 -8.161 -7.491 1.00 0.46 H new ATOM 0 HG2 LYS A 66 5.090 -7.490 -9.758 1.00 0.85 H new ATOM 0 HG3 LYS A 66 6.235 -6.349 -9.083 1.00 0.85 H new ATOM 0 HD2 LYS A 66 7.392 -8.283 -7.911 1.00 1.13 H new ATOM 0 HD3 LYS A 66 6.302 -9.384 -8.730 1.00 1.13 H new ATOM 0 HE2 LYS A 66 8.249 -7.460 -10.089 1.00 1.73 H new ATOM 0 HE3 LYS A 66 8.459 -9.194 -9.945 1.00 1.73 H new ATOM 0 HZ1 LYS A 66 7.625 -8.724 -12.091 1.00 2.79 H new ATOM 0 HZ2 LYS A 66 6.359 -9.448 -11.222 1.00 2.79 H new ATOM 0 HZ3 LYS A 66 6.360 -7.770 -11.482 1.00 2.79 H new ATOM 1073 N LYS A 67 1.623 -6.660 -8.184 1.00 0.41 N ATOM 1074 CA LYS A 67 0.425 -6.893 -8.980 1.00 0.46 C ATOM 1075 C LYS A 67 -0.600 -5.771 -8.797 1.00 0.44 C ATOM 1076 O LYS A 67 -1.747 -5.975 -9.176 1.00 0.65 O ATOM 1077 CB LYS A 67 -0.170 -8.263 -8.584 1.00 0.57 C ATOM 1078 CG LYS A 67 0.136 -9.360 -9.608 1.00 0.85 C ATOM 1079 CD LYS A 67 -0.262 -10.712 -9.008 1.00 0.96 C ATOM 1080 CE LYS A 67 -0.137 -11.836 -10.036 1.00 1.63 C ATOM 1081 NZ LYS A 67 -0.295 -13.151 -9.387 1.00 1.84 N ATOM 0 H LYS A 67 1.475 -6.836 -7.190 1.00 0.41 H new ATOM 0 HA LYS A 67 0.691 -6.900 -10.037 1.00 0.46 H new ATOM 0 HB2 LYS A 67 0.225 -8.559 -7.612 1.00 0.57 H new ATOM 0 HB3 LYS A 67 -1.250 -8.167 -8.473 1.00 0.57 H new ATOM 0 HG2 LYS A 67 -0.414 -9.179 -10.532 1.00 0.85 H new ATOM 0 HG3 LYS A 67 1.196 -9.356 -9.862 1.00 0.85 H new ATOM 0 HD2 LYS A 67 0.371 -10.931 -8.148 1.00 0.96 H new ATOM 0 HD3 LYS A 67 -1.288 -10.662 -8.644 1.00 0.96 H new ATOM 0 HE2 LYS A 67 -0.894 -11.713 -10.811 1.00 1.63 H new ATOM 0 HE3 LYS A 67 0.834 -11.781 -10.527 1.00 1.63 H new ATOM 0 HZ1 LYS A 67 -0.157 -13.904 -10.091 1.00 1.84 H new ATOM 0 HZ2 LYS A 67 0.410 -13.251 -8.629 1.00 1.84 H new ATOM 0 HZ3 LYS A 67 -1.250 -13.226 -8.983 1.00 1.84 H new ATOM 1095 N SER A 68 -0.233 -4.618 -8.222 1.00 0.44 N ATOM 1096 CA SER A 68 -1.197 -3.590 -7.860 1.00 0.45 C ATOM 1097 C SER A 68 -2.121 -3.235 -9.023 1.00 0.41 C ATOM 1098 O SER A 68 -1.694 -3.179 -10.174 1.00 0.56 O ATOM 1099 CB SER A 68 -0.506 -2.345 -7.292 1.00 0.55 C ATOM 1100 OG SER A 68 0.678 -1.972 -7.974 1.00 1.59 O ATOM 0 H SER A 68 0.734 -4.380 -7.999 1.00 0.44 H new ATOM 0 HA SER A 68 -1.823 -4.007 -7.071 1.00 0.45 H new ATOM 0 HB2 SER A 68 -1.206 -1.510 -7.321 1.00 0.55 H new ATOM 0 HB3 SER A 68 -0.266 -2.523 -6.244 1.00 0.55 H new ATOM 0 HG SER A 68 1.418 -2.544 -7.681 1.00 1.59 H new ATOM 1106 N THR A 69 -3.398 -3.012 -8.706 1.00 0.57 N ATOM 1107 CA THR A 69 -4.432 -2.842 -9.715 1.00 0.63 C ATOM 1108 C THR A 69 -4.625 -1.345 -9.972 1.00 0.71 C ATOM 1109 O THR A 69 -4.536 -0.895 -11.108 1.00 0.94 O ATOM 1110 CB THR A 69 -5.688 -3.665 -9.336 1.00 0.82 C ATOM 1111 OG1 THR A 69 -6.801 -3.311 -10.117 1.00 0.96 O ATOM 1112 CG2 THR A 69 -6.178 -3.561 -7.884 1.00 1.01 C ATOM 0 H THR A 69 -3.738 -2.945 -7.747 1.00 0.57 H new ATOM 0 HA THR A 69 -4.148 -3.256 -10.683 1.00 0.63 H new ATOM 0 HB THR A 69 -5.330 -4.680 -9.509 1.00 0.82 H new ATOM 0 HG1 THR A 69 -6.634 -3.551 -11.052 1.00 0.96 H new ATOM 0 HG21 THR A 69 -7.062 -4.185 -7.753 1.00 1.01 H new ATOM 0 HG22 THR A 69 -5.392 -3.900 -7.209 1.00 1.01 H new ATOM 0 HG23 THR A 69 -6.428 -2.525 -7.658 1.00 1.01 H new ATOM 1120 N ARG A 70 -4.797 -0.531 -8.927 1.00 0.63 N ATOM 1121 CA ARG A 70 -4.955 0.912 -9.100 1.00 0.72 C ATOM 1122 C ARG A 70 -3.655 1.679 -8.854 1.00 0.72 C ATOM 1123 O ARG A 70 -3.603 2.868 -9.156 1.00 0.91 O ATOM 1124 CB ARG A 70 -6.081 1.445 -8.204 1.00 0.80 C ATOM 1125 CG ARG A 70 -7.414 0.737 -8.467 1.00 1.70 C ATOM 1126 CD ARG A 70 -8.511 1.226 -7.511 1.00 2.68 C ATOM 1127 NE ARG A 70 -8.713 0.294 -6.394 1.00 4.54 N ATOM 1128 CZ ARG A 70 -9.591 0.440 -5.397 1.00 6.20 C ATOM 1129 NH1 ARG A 70 -10.418 1.486 -5.376 1.00 6.46 N ATOM 1130 NH2 ARG A 70 -9.621 -0.468 -4.423 1.00 8.05 N ATOM 0 H ARG A 70 -4.830 -0.846 -7.958 1.00 0.63 H new ATOM 0 HA ARG A 70 -5.226 1.079 -10.142 1.00 0.72 H new ATOM 0 HB2 ARG A 70 -5.803 1.315 -7.158 1.00 0.80 H new ATOM 0 HB3 ARG A 70 -6.201 2.515 -8.372 1.00 0.80 H new ATOM 0 HG2 ARG A 70 -7.723 0.913 -9.497 1.00 1.70 H new ATOM 0 HG3 ARG A 70 -7.284 -0.339 -8.353 1.00 1.70 H new ATOM 0 HD2 ARG A 70 -8.243 2.208 -7.122 1.00 2.68 H new ATOM 0 HD3 ARG A 70 -9.445 1.345 -8.060 1.00 2.68 H new ATOM 0 HE ARG A 70 -8.129 -0.542 -6.378 1.00 4.54 H new ATOM 0 HH11 ARG A 70 -10.382 2.179 -6.123 1.00 6.46 H new ATOM 0 HH12 ARG A 70 -11.086 1.593 -4.613 1.00 6.46 H new ATOM 0 HH21 ARG A 70 -8.980 -1.261 -4.445 1.00 8.05 H new ATOM 0 HH22 ARG A 70 -10.285 -0.371 -3.655 1.00 8.05 H new ATOM 1144 N LEU A 71 -2.613 1.058 -8.288 1.00 0.57 N ATOM 1145 CA LEU A 71 -1.367 1.739 -7.954 1.00 0.53 C ATOM 1146 C LEU A 71 -0.251 1.110 -8.790 1.00 0.49 C ATOM 1147 O LEU A 71 -0.507 0.166 -9.533 1.00 0.58 O ATOM 1148 CB LEU A 71 -1.066 1.628 -6.443 1.00 0.50 C ATOM 1149 CG LEU A 71 -2.283 1.578 -5.508 1.00 0.69 C ATOM 1150 CD1 LEU A 71 -1.822 1.342 -4.067 1.00 1.06 C ATOM 1151 CD2 LEU A 71 -3.086 2.879 -5.528 1.00 1.30 C ATOM 0 H LEU A 71 -2.615 0.066 -8.050 1.00 0.57 H new ATOM 0 HA LEU A 71 -1.446 2.802 -8.181 1.00 0.53 H new ATOM 0 HB2 LEU A 71 -0.471 0.730 -6.278 1.00 0.50 H new ATOM 0 HB3 LEU A 71 -0.448 2.478 -6.154 1.00 0.50 H new ATOM 0 HG LEU A 71 -2.916 0.765 -5.864 1.00 0.69 H new ATOM 0 HD11 LEU A 71 -2.690 1.308 -3.408 1.00 1.06 H new ATOM 0 HD12 LEU A 71 -1.284 0.396 -4.008 1.00 1.06 H new ATOM 0 HD13 LEU A 71 -1.164 2.154 -3.758 1.00 1.06 H new ATOM 0 HD21 LEU A 71 -3.936 2.793 -4.851 1.00 1.30 H new ATOM 0 HD22 LEU A 71 -2.450 3.704 -5.208 1.00 1.30 H new ATOM 0 HD23 LEU A 71 -3.446 3.069 -6.539 1.00 1.30 H new ATOM 1163 N GLN A 72 0.988 1.597 -8.664 1.00 0.43 N ATOM 1164 CA GLN A 72 2.152 0.899 -9.205 1.00 0.46 C ATOM 1165 C GLN A 72 3.296 0.963 -8.201 1.00 0.39 C ATOM 1166 O GLN A 72 3.636 2.040 -7.719 1.00 0.37 O ATOM 1167 CB GLN A 72 2.616 1.507 -10.538 1.00 0.73 C ATOM 1168 CG GLN A 72 1.889 0.928 -11.758 1.00 1.31 C ATOM 1169 CD GLN A 72 0.727 1.801 -12.216 1.00 2.43 C ATOM 1170 OE1 GLN A 72 0.953 2.893 -12.728 1.00 3.26 O ATOM 1171 NE2 GLN A 72 -0.504 1.335 -12.066 1.00 3.73 N ATOM 0 H GLN A 72 1.208 2.474 -8.191 1.00 0.43 H new ATOM 0 HA GLN A 72 1.862 -0.136 -9.388 1.00 0.46 H new ATOM 0 HB2 GLN A 72 2.461 2.586 -10.510 1.00 0.73 H new ATOM 0 HB3 GLN A 72 3.687 1.342 -10.651 1.00 0.73 H new ATOM 0 HG2 GLN A 72 2.598 0.813 -12.578 1.00 1.31 H new ATOM 0 HG3 GLN A 72 1.517 -0.068 -11.516 1.00 1.31 H new ATOM 0 HE21 GLN A 72 -0.655 0.423 -11.636 1.00 3.73 H new ATOM 0 HE22 GLN A 72 -1.301 1.889 -12.381 1.00 3.73 H new ATOM 1180 N VAL A 73 3.913 -0.180 -7.909 1.00 0.41 N ATOM 1181 CA VAL A 73 5.075 -0.281 -7.042 1.00 0.38 C ATOM 1182 C VAL A 73 6.333 -0.188 -7.897 1.00 0.46 C ATOM 1183 O VAL A 73 6.350 -0.630 -9.046 1.00 0.54 O ATOM 1184 CB VAL A 73 5.014 -1.591 -6.238 1.00 0.44 C ATOM 1185 CG1 VAL A 73 5.413 -2.818 -7.064 1.00 0.73 C ATOM 1186 CG2 VAL A 73 5.905 -1.531 -4.995 1.00 0.89 C ATOM 0 H VAL A 73 3.608 -1.080 -8.280 1.00 0.41 H new ATOM 0 HA VAL A 73 5.091 0.537 -6.322 1.00 0.38 H new ATOM 0 HB VAL A 73 3.970 -1.697 -5.943 1.00 0.44 H new ATOM 0 HG11 VAL A 73 5.350 -3.711 -6.442 1.00 0.73 H new ATOM 0 HG12 VAL A 73 4.738 -2.919 -7.914 1.00 0.73 H new ATOM 0 HG13 VAL A 73 6.435 -2.698 -7.424 1.00 0.73 H new ATOM 0 HG21 VAL A 73 5.836 -2.474 -4.452 1.00 0.89 H new ATOM 0 HG22 VAL A 73 6.939 -1.360 -5.296 1.00 0.89 H new ATOM 0 HG23 VAL A 73 5.576 -0.716 -4.350 1.00 0.89 H new ATOM 1196 N SER A 74 7.395 0.388 -7.343 1.00 0.52 N ATOM 1197 CA SER A 74 8.694 0.446 -7.987 1.00 0.57 C ATOM 1198 C SER A 74 9.770 0.828 -6.981 1.00 1.79 C ATOM 1199 O SER A 74 9.597 0.560 -5.789 1.00 2.51 O ATOM 1200 CB SER A 74 8.620 1.496 -9.085 1.00 2.03 C ATOM 1201 OG SER A 74 9.574 1.248 -10.098 1.00 2.61 O ATOM 0 H SER A 74 7.373 0.831 -6.425 1.00 0.52 H new ATOM 0 HA SER A 74 8.950 -0.529 -8.401 1.00 0.57 H new ATOM 0 HB2 SER A 74 7.620 1.502 -9.518 1.00 2.03 H new ATOM 0 HB3 SER A 74 8.789 2.485 -8.658 1.00 2.03 H new ATOM 0 HG SER A 74 9.502 1.937 -10.791 1.00 2.61 H new ATOM 1207 N GLU A 75 10.864 1.420 -7.489 1.00 2.59 N ATOM 1208 CA GLU A 75 12.135 1.729 -6.841 1.00 4.27 C ATOM 1209 C GLU A 75 12.831 0.435 -6.444 1.00 3.05 C ATOM 1210 O GLU A 75 13.842 0.050 -7.021 1.00 3.74 O ATOM 1211 CB GLU A 75 11.955 2.706 -5.662 1.00 6.23 C ATOM 1212 CG GLU A 75 12.094 4.167 -6.101 1.00 7.97 C ATOM 1213 CD GLU A 75 13.533 4.480 -6.515 1.00 8.36 C ATOM 1214 OE1 GLU A 75 14.351 4.742 -5.606 1.00 9.84 O ATOM 1215 OE2 GLU A 75 13.792 4.423 -7.737 1.00 7.41 O ATOM 0 H GLU A 75 10.873 1.722 -8.463 1.00 2.59 H new ATOM 0 HA GLU A 75 12.780 2.250 -7.549 1.00 4.27 H new ATOM 0 HB2 GLU A 75 10.974 2.554 -5.212 1.00 6.23 H new ATOM 0 HB3 GLU A 75 12.696 2.486 -4.893 1.00 6.23 H new ATOM 0 HG2 GLU A 75 11.420 4.366 -6.935 1.00 7.97 H new ATOM 0 HG3 GLU A 75 11.795 4.826 -5.286 1.00 7.97 H new ATOM 1222 N ASP A 76 12.252 -0.241 -5.464 1.00 1.74 N ATOM 1223 CA ASP A 76 12.806 -1.439 -4.841 1.00 0.92 C ATOM 1224 C ASP A 76 11.673 -2.300 -4.278 1.00 0.62 C ATOM 1225 O ASP A 76 11.868 -3.081 -3.352 1.00 0.75 O ATOM 1226 CB ASP A 76 13.767 -0.998 -3.724 1.00 1.84 C ATOM 1227 CG ASP A 76 14.569 -2.159 -3.131 1.00 2.79 C ATOM 1228 OD1 ASP A 76 14.986 -3.039 -3.913 1.00 3.50 O ATOM 1229 OD2 ASP A 76 14.807 -2.124 -1.899 1.00 3.86 O ATOM 0 H ASP A 76 11.355 0.036 -5.066 1.00 1.74 H new ATOM 0 HA ASP A 76 13.349 -2.037 -5.573 1.00 0.92 H new ATOM 0 HB2 ASP A 76 14.457 -0.252 -4.119 1.00 1.84 H new ATOM 0 HB3 ASP A 76 13.196 -0.516 -2.931 1.00 1.84 H new ATOM 1234 N GLY A 77 10.435 -2.109 -4.755 1.00 0.43 N ATOM 1235 CA GLY A 77 9.297 -2.676 -4.041 1.00 0.43 C ATOM 1236 C GLY A 77 9.160 -2.065 -2.650 1.00 0.56 C ATOM 1237 O GLY A 77 8.536 -2.664 -1.783 1.00 0.95 O ATOM 0 H GLY A 77 10.206 -1.586 -5.600 1.00 0.43 H new ATOM 0 HA2 GLY A 77 8.384 -2.501 -4.610 1.00 0.43 H new ATOM 0 HA3 GLY A 77 9.418 -3.756 -3.957 1.00 0.43 H new ATOM 1241 N LYS A 78 9.697 -0.858 -2.444 1.00 0.45 N ATOM 1242 CA LYS A 78 9.598 -0.120 -1.190 1.00 0.58 C ATOM 1243 C LYS A 78 8.915 1.215 -1.425 1.00 0.43 C ATOM 1244 O LYS A 78 8.911 2.065 -0.546 1.00 0.36 O ATOM 1245 CB LYS A 78 10.983 0.086 -0.577 1.00 0.79 C ATOM 1246 CG LYS A 78 11.524 -1.267 -0.131 1.00 1.16 C ATOM 1247 CD LYS A 78 12.922 -1.117 0.451 1.00 1.11 C ATOM 1248 CE LYS A 78 13.412 -2.540 0.697 1.00 1.77 C ATOM 1249 NZ LYS A 78 14.882 -2.597 0.804 1.00 2.65 N ATOM 0 H LYS A 78 10.223 -0.360 -3.162 1.00 0.45 H new ATOM 0 HA LYS A 78 8.999 -0.701 -0.489 1.00 0.58 H new ATOM 0 HB2 LYS A 78 11.655 0.541 -1.305 1.00 0.79 H new ATOM 0 HB3 LYS A 78 10.924 0.768 0.271 1.00 0.79 H new ATOM 0 HG2 LYS A 78 10.859 -1.704 0.614 1.00 1.16 H new ATOM 0 HG3 LYS A 78 11.548 -1.953 -0.978 1.00 1.16 H new ATOM 0 HD2 LYS A 78 13.580 -0.588 -0.239 1.00 1.11 H new ATOM 0 HD3 LYS A 78 12.903 -0.542 1.377 1.00 1.11 H new ATOM 0 HE2 LYS A 78 12.965 -2.926 1.613 1.00 1.77 H new ATOM 0 HE3 LYS A 78 13.080 -3.185 -0.116 1.00 1.77 H new ATOM 0 HZ1 LYS A 78 15.168 -3.528 1.169 1.00 2.65 H new ATOM 0 HZ2 LYS A 78 15.304 -2.449 -0.135 1.00 2.65 H new ATOM 0 HZ3 LYS A 78 15.212 -1.854 1.453 1.00 2.65 H new ATOM 1263 N MET A 79 8.322 1.416 -2.596 1.00 0.43 N ATOM 1264 CA MET A 79 7.484 2.565 -2.828 1.00 0.34 C ATOM 1265 C MET A 79 6.388 2.139 -3.770 1.00 0.41 C ATOM 1266 O MET A 79 6.622 1.354 -4.681 1.00 0.44 O ATOM 1267 CB MET A 79 8.276 3.728 -3.450 1.00 0.47 C ATOM 1268 CG MET A 79 9.244 4.406 -2.476 1.00 1.35 C ATOM 1269 SD MET A 79 10.883 3.646 -2.320 1.00 2.10 S ATOM 1270 CE MET A 79 11.315 4.261 -0.672 1.00 2.92 C ATOM 0 H MET A 79 8.412 0.790 -3.396 1.00 0.43 H new ATOM 0 HA MET A 79 7.081 2.919 -1.879 1.00 0.34 H new ATOM 0 HB2 MET A 79 8.838 3.356 -4.306 1.00 0.47 H new ATOM 0 HB3 MET A 79 7.575 4.472 -3.828 1.00 0.47 H new ATOM 0 HG2 MET A 79 9.375 5.442 -2.788 1.00 1.35 H new ATOM 0 HG3 MET A 79 8.780 4.426 -1.490 1.00 1.35 H new ATOM 0 HE1 MET A 79 12.398 4.243 -0.549 1.00 2.92 H new ATOM 0 HE2 MET A 79 10.954 5.283 -0.559 1.00 2.92 H new ATOM 0 HE3 MET A 79 10.854 3.627 0.085 1.00 2.92 H new ATOM 1280 N VAL A 80 5.198 2.680 -3.569 1.00 0.47 N ATOM 1281 CA VAL A 80 4.103 2.532 -4.493 1.00 0.41 C ATOM 1282 C VAL A 80 3.501 3.911 -4.637 1.00 0.37 C ATOM 1283 O VAL A 80 3.551 4.714 -3.709 1.00 0.43 O ATOM 1284 CB VAL A 80 3.136 1.433 -4.014 1.00 0.48 C ATOM 1285 CG1 VAL A 80 2.831 1.513 -2.516 1.00 1.20 C ATOM 1286 CG2 VAL A 80 1.805 1.440 -4.766 1.00 1.47 C ATOM 0 H VAL A 80 4.970 3.240 -2.747 1.00 0.47 H new ATOM 0 HA VAL A 80 4.409 2.185 -5.480 1.00 0.41 H new ATOM 0 HB VAL A 80 3.668 0.506 -4.225 1.00 0.48 H new ATOM 0 HG11 VAL A 80 2.145 0.712 -2.241 1.00 1.20 H new ATOM 0 HG12 VAL A 80 3.757 1.408 -1.950 1.00 1.20 H new ATOM 0 HG13 VAL A 80 2.374 2.476 -2.289 1.00 1.20 H new ATOM 0 HG21 VAL A 80 1.167 0.643 -4.384 1.00 1.47 H new ATOM 0 HG22 VAL A 80 1.311 2.401 -4.623 1.00 1.47 H new ATOM 0 HG23 VAL A 80 1.987 1.281 -5.829 1.00 1.47 H new ATOM 1296 N ARG A 81 2.973 4.187 -5.823 1.00 0.34 N ATOM 1297 CA ARG A 81 2.409 5.484 -6.145 1.00 0.40 C ATOM 1298 C ARG A 81 0.953 5.292 -6.509 1.00 0.35 C ATOM 1299 O ARG A 81 0.633 4.392 -7.290 1.00 0.36 O ATOM 1300 CB ARG A 81 3.223 6.133 -7.268 1.00 0.61 C ATOM 1301 CG ARG A 81 3.116 5.392 -8.610 1.00 1.45 C ATOM 1302 CD ARG A 81 4.465 5.384 -9.325 1.00 1.84 C ATOM 1303 NE ARG A 81 4.338 4.832 -10.681 1.00 2.80 N ATOM 1304 CZ ARG A 81 5.361 4.577 -11.503 1.00 3.47 C ATOM 1305 NH1 ARG A 81 6.613 4.809 -11.104 1.00 3.71 N ATOM 1306 NH2 ARG A 81 5.125 4.092 -12.723 1.00 4.50 N ATOM 0 H ARG A 81 2.926 3.514 -6.588 1.00 0.34 H new ATOM 0 HA ARG A 81 2.457 6.161 -5.292 1.00 0.40 H new ATOM 0 HB2 ARG A 81 2.887 7.161 -7.402 1.00 0.61 H new ATOM 0 HB3 ARG A 81 4.270 6.176 -6.969 1.00 0.61 H new ATOM 0 HG2 ARG A 81 2.781 4.369 -8.441 1.00 1.45 H new ATOM 0 HG3 ARG A 81 2.367 5.873 -9.239 1.00 1.45 H new ATOM 0 HD2 ARG A 81 4.859 6.399 -9.377 1.00 1.84 H new ATOM 0 HD3 ARG A 81 5.180 4.793 -8.753 1.00 1.84 H new ATOM 0 HE ARG A 81 3.398 4.628 -11.021 1.00 2.80 H new ATOM 0 HH11 ARG A 81 6.790 5.181 -10.171 1.00 3.71 H new ATOM 0 HH12 ARG A 81 7.393 4.614 -11.732 1.00 3.71 H new ATOM 0 HH21 ARG A 81 4.167 3.917 -13.026 1.00 4.50 H new ATOM 0 HH22 ARG A 81 5.903 3.896 -13.353 1.00 4.50 H new ATOM 1320 N ARG A 82 0.067 6.094 -5.920 1.00 0.50 N ATOM 1321 CA ARG A 82 -1.340 6.005 -6.268 1.00 0.56 C ATOM 1322 C ARG A 82 -1.619 6.877 -7.485 1.00 0.63 C ATOM 1323 O ARG A 82 -0.740 7.590 -7.963 1.00 0.87 O ATOM 1324 CB ARG A 82 -2.217 6.282 -5.036 1.00 0.86 C ATOM 1325 CG ARG A 82 -2.226 7.705 -4.476 1.00 1.01 C ATOM 1326 CD ARG A 82 -3.075 8.658 -5.320 1.00 1.53 C ATOM 1327 NE ARG A 82 -3.581 9.796 -4.542 1.00 1.84 N ATOM 1328 CZ ARG A 82 -4.638 9.764 -3.717 1.00 2.43 C ATOM 1329 NH1 ARG A 82 -5.241 8.605 -3.434 1.00 3.35 N ATOM 1330 NH2 ARG A 82 -5.107 10.899 -3.199 1.00 3.25 N ATOM 0 H ARG A 82 0.296 6.796 -5.216 1.00 0.50 H new ATOM 0 HA ARG A 82 -1.608 4.992 -6.569 1.00 0.56 H new ATOM 0 HB2 ARG A 82 -3.243 6.014 -5.288 1.00 0.86 H new ATOM 0 HB3 ARG A 82 -1.898 5.610 -4.239 1.00 0.86 H new ATOM 0 HG2 ARG A 82 -2.609 7.689 -3.456 1.00 1.01 H new ATOM 0 HG3 ARG A 82 -1.204 8.080 -4.427 1.00 1.01 H new ATOM 0 HD2 ARG A 82 -2.480 9.028 -6.155 1.00 1.53 H new ATOM 0 HD3 ARG A 82 -3.916 8.110 -5.746 1.00 1.53 H new ATOM 0 HE ARG A 82 -3.088 10.684 -4.637 1.00 1.84 H new ATOM 0 HH11 ARG A 82 -4.898 7.738 -3.846 1.00 3.35 H new ATOM 0 HH12 ARG A 82 -6.044 8.588 -2.806 1.00 3.35 H new ATOM 0 HH21 ARG A 82 -4.662 11.787 -3.430 1.00 3.25 H new ATOM 0 HH22 ARG A 82 -5.911 10.879 -2.571 1.00 3.25 H new ATOM 1344 N LEU A 83 -2.844 6.795 -7.994 1.00 0.67 N ATOM 1345 CA LEU A 83 -3.241 7.423 -9.242 1.00 0.68 C ATOM 1346 C LEU A 83 -3.756 8.842 -8.997 1.00 0.83 C ATOM 1347 O LEU A 83 -4.209 9.158 -7.902 1.00 1.28 O ATOM 1348 CB LEU A 83 -4.327 6.572 -9.922 1.00 1.04 C ATOM 1349 CG LEU A 83 -5.649 6.468 -9.135 1.00 2.61 C ATOM 1350 CD1 LEU A 83 -6.763 6.010 -10.073 1.00 2.88 C ATOM 1351 CD2 LEU A 83 -5.596 5.493 -7.952 1.00 4.33 C ATOM 0 H LEU A 83 -3.599 6.281 -7.540 1.00 0.67 H new ATOM 0 HA LEU A 83 -2.371 7.488 -9.895 1.00 0.68 H new ATOM 0 HB2 LEU A 83 -4.537 6.993 -10.905 1.00 1.04 H new ATOM 0 HB3 LEU A 83 -3.935 5.568 -10.083 1.00 1.04 H new ATOM 0 HG LEU A 83 -5.835 7.463 -8.730 1.00 2.61 H new ATOM 0 HD11 LEU A 83 -7.698 5.936 -9.518 1.00 2.88 H new ATOM 0 HD12 LEU A 83 -6.877 6.732 -10.882 1.00 2.88 H new ATOM 0 HD13 LEU A 83 -6.510 5.035 -10.490 1.00 2.88 H new ATOM 0 HD21 LEU A 83 -6.564 5.477 -7.450 1.00 4.33 H new ATOM 0 HD22 LEU A 83 -5.359 4.493 -8.315 1.00 4.33 H new ATOM 0 HD23 LEU A 83 -4.828 5.815 -7.249 1.00 4.33 H new ATOM 1363 N ASP A 84 -3.695 9.687 -10.026 1.00 1.04 N ATOM 1364 CA ASP A 84 -4.146 11.076 -9.962 1.00 1.50 C ATOM 1365 C ASP A 84 -5.661 11.188 -9.745 1.00 1.65 C ATOM 1366 O ASP A 84 -6.082 11.758 -8.738 1.00 1.95 O ATOM 1367 CB ASP A 84 -3.697 11.846 -11.214 1.00 1.83 C ATOM 1368 CG ASP A 84 -2.368 12.557 -10.973 1.00 2.06 C ATOM 1369 OD1 ASP A 84 -1.357 11.834 -10.847 1.00 2.57 O ATOM 1370 OD2 ASP A 84 -2.389 13.806 -10.914 1.00 2.67 O ATOM 0 H ASP A 84 -3.326 9.422 -10.939 1.00 1.04 H new ATOM 0 HA ASP A 84 -3.676 11.533 -9.091 1.00 1.50 H new ATOM 0 HB2 ASP A 84 -3.598 11.157 -12.053 1.00 1.83 H new ATOM 0 HB3 ASP A 84 -4.459 12.575 -11.489 1.00 1.83 H new ATOM 1375 N PRO A 85 -6.509 10.711 -10.672 1.00 1.84 N ATOM 1376 CA PRO A 85 -7.953 10.823 -10.519 1.00 2.21 C ATOM 1377 C PRO A 85 -8.448 9.864 -9.435 1.00 1.87 C ATOM 1378 O PRO A 85 -7.748 8.936 -9.044 1.00 1.58 O ATOM 1379 CB PRO A 85 -8.529 10.488 -11.895 1.00 2.77 C ATOM 1380 CG PRO A 85 -7.500 9.515 -12.467 1.00 2.68 C ATOM 1381 CD PRO A 85 -6.176 10.049 -11.921 1.00 2.14 C ATOM 0 HA PRO A 85 -8.267 11.817 -10.200 1.00 2.21 H new ATOM 0 HB2 PRO A 85 -9.517 10.033 -11.820 1.00 2.77 H new ATOM 0 HB3 PRO A 85 -8.634 11.377 -12.517 1.00 2.77 H new ATOM 0 HG2 PRO A 85 -7.687 8.492 -12.140 1.00 2.68 H new ATOM 0 HG3 PRO A 85 -7.513 9.509 -13.557 1.00 2.68 H new ATOM 0 HD2 PRO A 85 -5.464 9.240 -11.758 1.00 2.14 H new ATOM 0 HD3 PRO A 85 -5.714 10.744 -12.622 1.00 2.14 H new ATOM 1389 N LEU A 86 -9.663 10.079 -8.927 1.00 2.18 N ATOM 1390 CA LEU A 86 -10.126 9.314 -7.776 1.00 2.04 C ATOM 1391 C LEU A 86 -10.265 7.816 -8.103 1.00 2.02 C ATOM 1392 O LEU A 86 -10.652 7.449 -9.213 1.00 2.29 O ATOM 1393 CB LEU A 86 -11.427 9.905 -7.212 1.00 2.48 C ATOM 1394 CG LEU A 86 -12.631 9.828 -8.169 1.00 3.32 C ATOM 1395 CD1 LEU A 86 -13.811 9.152 -7.470 1.00 4.31 C ATOM 1396 CD2 LEU A 86 -13.050 11.232 -8.617 1.00 3.87 C ATOM 0 H LEU A 86 -10.329 10.762 -9.287 1.00 2.18 H new ATOM 0 HA LEU A 86 -9.367 9.392 -6.998 1.00 2.04 H new ATOM 0 HB2 LEU A 86 -11.679 9.382 -6.289 1.00 2.48 H new ATOM 0 HB3 LEU A 86 -11.253 10.949 -6.950 1.00 2.48 H new ATOM 0 HG LEU A 86 -12.338 9.245 -9.043 1.00 3.32 H new ATOM 0 HD11 LEU A 86 -14.658 9.101 -8.154 1.00 4.31 H new ATOM 0 HD12 LEU A 86 -13.527 8.144 -7.169 1.00 4.31 H new ATOM 0 HD13 LEU A 86 -14.090 9.728 -6.588 1.00 4.31 H new ATOM 0 HD21 LEU A 86 -13.902 11.159 -9.293 1.00 3.87 H new ATOM 0 HD22 LEU A 86 -13.328 11.824 -7.745 1.00 3.87 H new ATOM 0 HD23 LEU A 86 -12.218 11.713 -9.132 1.00 3.87 H new ATOM 1408 N PRO A 87 -9.957 6.936 -7.142 1.00 1.93 N ATOM 1409 CA PRO A 87 -9.982 5.496 -7.340 1.00 2.19 C ATOM 1410 C PRO A 87 -11.415 4.965 -7.406 1.00 2.50 C ATOM 1411 O PRO A 87 -12.012 4.682 -6.371 1.00 3.00 O ATOM 1412 CB PRO A 87 -9.225 4.921 -6.136 1.00 2.27 C ATOM 1413 CG PRO A 87 -9.405 5.970 -5.045 1.00 2.10 C ATOM 1414 CD PRO A 87 -9.433 7.276 -5.830 1.00 1.90 C ATOM 0 HA PRO A 87 -9.523 5.207 -8.285 1.00 2.19 H new ATOM 0 HB2 PRO A 87 -9.633 3.957 -5.833 1.00 2.27 H new ATOM 0 HB3 PRO A 87 -8.171 4.763 -6.367 1.00 2.27 H new ATOM 0 HG2 PRO A 87 -10.327 5.816 -4.484 1.00 2.10 H new ATOM 0 HG3 PRO A 87 -8.587 5.949 -4.325 1.00 2.10 H new ATOM 0 HD2 PRO A 87 -10.063 8.016 -5.337 1.00 1.90 H new ATOM 0 HD3 PRO A 87 -8.435 7.708 -5.907 1.00 1.90 H new ATOM 1422 N GLU A 88 -11.943 4.747 -8.611 1.00 2.72 N ATOM 1423 CA GLU A 88 -13.300 4.248 -8.805 1.00 3.02 C ATOM 1424 C GLU A 88 -13.265 3.076 -9.789 1.00 3.45 C ATOM 1425 O GLU A 88 -13.315 3.277 -10.997 1.00 3.58 O ATOM 1426 CB GLU A 88 -14.187 5.405 -9.293 1.00 3.04 C ATOM 1427 CG GLU A 88 -15.652 5.004 -9.511 1.00 3.71 C ATOM 1428 CD GLU A 88 -16.265 4.404 -8.250 1.00 4.69 C ATOM 1429 OE1 GLU A 88 -16.041 3.189 -8.052 1.00 5.87 O ATOM 1430 OE2 GLU A 88 -16.932 5.154 -7.507 1.00 5.31 O ATOM 0 H GLU A 88 -11.438 4.913 -9.481 1.00 2.72 H new ATOM 0 HA GLU A 88 -13.724 3.877 -7.872 1.00 3.02 H new ATOM 0 HB2 GLU A 88 -14.145 6.216 -8.566 1.00 3.04 H new ATOM 0 HB3 GLU A 88 -13.782 5.793 -10.227 1.00 3.04 H new ATOM 0 HG2 GLU A 88 -16.227 5.878 -9.815 1.00 3.71 H new ATOM 0 HG3 GLU A 88 -15.715 4.282 -10.325 1.00 3.71 H new ATOM 1437 N ASN A 89 -13.135 1.849 -9.268 1.00 4.19 N ATOM 1438 CA ASN A 89 -13.065 0.604 -10.043 1.00 5.05 C ATOM 1439 C ASN A 89 -12.064 0.660 -11.194 1.00 5.29 C ATOM 1440 O ASN A 89 -12.321 0.123 -12.270 1.00 5.76 O ATOM 1441 CB ASN A 89 -14.443 0.216 -10.580 1.00 5.33 C ATOM 1442 CG ASN A 89 -15.432 -0.054 -9.459 1.00 5.62 C ATOM 1443 OD1 ASN A 89 -15.262 -0.998 -8.697 1.00 6.52 O ATOM 1444 ND2 ASN A 89 -16.457 0.772 -9.323 1.00 5.25 N ATOM 0 H ASN A 89 -13.074 1.691 -8.262 1.00 4.19 H new ATOM 0 HA ASN A 89 -12.712 -0.157 -9.347 1.00 5.05 H new ATOM 0 HB2 ASN A 89 -14.824 1.016 -11.215 1.00 5.33 H new ATOM 0 HB3 ASN A 89 -14.352 -0.672 -11.206 1.00 5.33 H new ATOM 0 HD21 ASN A 89 -17.130 0.630 -8.569 1.00 5.25 H new ATOM 0 HD22 ASN A 89 -16.574 1.550 -9.972 1.00 5.25 H new ATOM 1451 N ILE A 90 -10.920 1.298 -10.977 1.00 5.23 N ATOM 1452 CA ILE A 90 -9.919 1.411 -12.023 1.00 5.84 C ATOM 1453 C ILE A 90 -9.044 0.152 -12.004 1.00 6.82 C ATOM 1454 O ILE A 90 -8.978 -0.539 -10.988 1.00 6.75 O ATOM 1455 CB ILE A 90 -9.146 2.730 -11.810 1.00 5.38 C ATOM 1456 CG1 ILE A 90 -10.066 3.887 -12.244 1.00 5.18 C ATOM 1457 CG2 ILE A 90 -7.817 2.816 -12.576 1.00 6.33 C ATOM 1458 CD1 ILE A 90 -9.625 5.254 -11.719 1.00 5.48 C ATOM 0 H ILE A 90 -10.667 1.740 -10.094 1.00 5.23 H new ATOM 0 HA ILE A 90 -10.357 1.462 -13.020 1.00 5.84 H new ATOM 0 HB ILE A 90 -8.878 2.785 -10.755 1.00 5.38 H new ATOM 0 HG12 ILE A 90 -10.103 3.921 -13.333 1.00 5.18 H new ATOM 0 HG13 ILE A 90 -11.079 3.684 -11.896 1.00 5.18 H new ATOM 0 HG21 ILE A 90 -7.340 3.774 -12.370 1.00 6.33 H new ATOM 0 HG22 ILE A 90 -7.160 2.007 -12.257 1.00 6.33 H new ATOM 0 HG23 ILE A 90 -8.007 2.728 -13.646 1.00 6.33 H new ATOM 0 HD11 ILE A 90 -10.321 6.018 -12.065 1.00 5.48 H new ATOM 0 HD12 ILE A 90 -9.615 5.239 -10.629 1.00 5.48 H new ATOM 0 HD13 ILE A 90 -8.624 5.480 -12.088 1.00 5.48 H new ATOM 1470 N ASP A 91 -8.378 -0.119 -13.128 1.00 7.93 N ATOM 1471 CA ASP A 91 -7.373 -1.156 -13.341 1.00 9.05 C ATOM 1472 C ASP A 91 -6.399 -0.627 -14.399 1.00 10.09 C ATOM 1473 O ASP A 91 -6.697 0.473 -14.928 1.00 10.41 O ATOM 1474 CB ASP A 91 -8.053 -2.447 -13.823 1.00 9.98 C ATOM 1475 CG ASP A 91 -7.100 -3.646 -13.896 1.00 10.85 C ATOM 1476 OD1 ASP A 91 -6.472 -3.947 -12.852 1.00 10.59 O ATOM 1477 OD2 ASP A 91 -7.123 -4.346 -14.936 1.00 12.08 O ATOM 1478 OXT ASP A 91 -5.391 -1.306 -14.677 1.00 10.81 O ATOM 0 H ASP A 91 -8.542 0.424 -13.976 1.00 7.93 H new ATOM 0 HA ASP A 91 -6.841 -1.388 -12.419 1.00 9.05 H new ATOM 0 HB2 ASP A 91 -8.877 -2.688 -13.151 1.00 9.98 H new ATOM 0 HB3 ASP A 91 -8.485 -2.275 -14.809 1.00 9.98 H new TER 1483 ASP A 91