USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 858 hydrogens (32 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 NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 107 HECFE :(H bumps) USER MOD NoAdj-H: A 107 HEC HAC : A 107 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 107 HEC HAB : A 107 HEC CAB : A 10 CYS SG :(H bumps) USER MOD Single : A 1 SER N :NH3+ -174:sc= 0 (180deg=-0.0532) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot -94:sc= 0.92 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -130:sc= 0.0038 USER MOD Single : A 18 ASN : amide:sc= -0.0244 X(o=-0.024,f=-0.024) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0278 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -136:sc= 0.414 (180deg=-0.314) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -164:sc= -0.0305 (180deg=-0.325) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 67 TYR OH : rot -143:sc= 1.23 USER MOD Single : A 68 ASN : amide:sc= 1.21 K(o=1.2,f=-2) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.628 K(o=0.63,f=-5.5!) USER MOD Single : A 75 MET CE :methyl -154:sc= 0 (180deg=-0.0794) USER MOD Single : A 83 SER OG : rot 68:sc= 0.407 USER MOD Single : A 87 SER OG : rot -87:sc= 1.3 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 94:sc= 1.53 USER MOD Single : A 97 GLN : amide:sc= 0.372 K(o=0.37,f=-4.3!) USER MOD Single : A 98 THR OG1 : rot 74:sc= 0.171 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.003 X(o=-0.003,f=-0.37) USER MOD Single : A 107 HEC O2A : rot 130:sc= 0.207 USER MOD Single : A 107 HEC O2D : rot 17:sc= -0.0841 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.352 5.525 8.186 1.00 2.03 N ATOM 2 CA SER A 1 12.602 6.787 8.152 1.00 2.39 C ATOM 3 C SER A 1 11.139 6.561 7.752 1.00 2.01 C ATOM 4 O SER A 1 10.240 7.204 8.297 1.00 3.21 O ATOM 5 CB SER A 1 13.297 7.752 7.186 1.00 3.22 C ATOM 6 OG SER A 1 14.641 7.963 7.582 1.00 3.81 O ATOM 0 H1 SER A 1 14.308 5.699 8.557 1.00 2.03 H new ATOM 0 H2 SER A 1 12.860 4.845 8.801 1.00 2.03 H new ATOM 0 H3 SER A 1 13.420 5.135 7.224 1.00 2.03 H new ATOM 0 HA SER A 1 12.590 7.221 9.152 1.00 2.39 H new ATOM 0 HB2 SER A 1 13.268 7.348 6.174 1.00 3.22 H new ATOM 0 HB3 SER A 1 12.764 8.702 7.165 1.00 3.22 H new ATOM 0 HG SER A 1 15.074 8.580 6.955 1.00 3.81 H new ATOM 12 N GLY A 2 10.869 5.580 6.883 1.00 1.22 N ATOM 13 CA GLY A 2 9.516 5.173 6.490 1.00 0.81 C ATOM 14 C GLY A 2 8.626 4.691 7.648 1.00 0.74 C ATOM 15 O GLY A 2 7.406 4.778 7.544 1.00 0.74 O ATOM 0 H GLY A 2 11.600 5.036 6.424 1.00 1.22 H new ATOM 0 HA2 GLY A 2 9.026 6.015 6.000 1.00 0.81 H new ATOM 0 HA3 GLY A 2 9.592 4.375 5.752 1.00 0.81 H new ATOM 19 N GLU A 3 9.196 4.248 8.774 1.00 0.79 N ATOM 20 CA GLU A 3 8.432 3.871 9.979 1.00 0.78 C ATOM 21 C GLU A 3 7.673 5.063 10.591 1.00 0.74 C ATOM 22 O GLU A 3 6.511 4.934 10.977 1.00 0.74 O ATOM 23 CB GLU A 3 9.401 3.273 11.007 1.00 0.95 C ATOM 24 CG GLU A 3 8.707 2.701 12.249 1.00 1.35 C ATOM 25 CD GLU A 3 9.739 2.102 13.206 1.00 2.20 C ATOM 26 OE1 GLU A 3 10.344 2.856 14.004 1.00 2.80 O ATOM 27 OE2 GLU A 3 9.956 0.866 13.183 1.00 3.07 O ATOM 0 H GLU A 3 10.205 4.139 8.880 1.00 0.79 H new ATOM 0 HA GLU A 3 7.679 3.137 9.691 1.00 0.78 H new ATOM 0 HB2 GLU A 3 9.981 2.483 10.530 1.00 0.95 H new ATOM 0 HB3 GLU A 3 10.107 4.043 11.318 1.00 0.95 H new ATOM 0 HG2 GLU A 3 8.146 3.487 12.754 1.00 1.35 H new ATOM 0 HG3 GLU A 3 7.989 1.936 11.953 1.00 1.35 H new ATOM 34 N GLN A 4 8.291 6.250 10.615 1.00 0.78 N ATOM 35 CA GLN A 4 7.638 7.477 11.080 1.00 0.83 C ATOM 36 C GLN A 4 6.489 7.871 10.140 1.00 0.81 C ATOM 37 O GLN A 4 5.428 8.294 10.599 1.00 0.91 O ATOM 38 CB GLN A 4 8.699 8.582 11.201 1.00 1.00 C ATOM 39 CG GLN A 4 8.152 9.871 11.834 1.00 2.06 C ATOM 40 CD GLN A 4 9.248 10.917 11.992 1.00 2.74 C ATOM 41 OE1 GLN A 4 9.399 11.823 11.183 1.00 3.38 O ATOM 42 NE2 GLN A 4 10.087 10.808 12.996 1.00 3.51 N ATOM 0 H GLN A 4 9.256 6.386 10.313 1.00 0.78 H new ATOM 0 HA GLN A 4 7.191 7.317 12.061 1.00 0.83 H new ATOM 0 HB2 GLN A 4 9.532 8.214 11.800 1.00 1.00 H new ATOM 0 HB3 GLN A 4 9.094 8.809 10.211 1.00 1.00 H new ATOM 0 HG2 GLN A 4 7.350 10.272 11.214 1.00 2.06 H new ATOM 0 HG3 GLN A 4 7.719 9.645 12.808 1.00 2.06 H new ATOM 0 HE21 GLN A 4 9.972 10.058 13.677 1.00 3.51 H new ATOM 0 HE22 GLN A 4 10.853 11.474 13.095 1.00 3.51 H new ATOM 51 N ILE A 5 6.666 7.667 8.830 1.00 0.76 N ATOM 52 CA ILE A 5 5.642 7.894 7.797 1.00 0.76 C ATOM 53 C ILE A 5 4.478 6.908 7.973 1.00 0.69 C ATOM 54 O ILE A 5 3.317 7.320 7.963 1.00 0.74 O ATOM 55 CB ILE A 5 6.282 7.818 6.385 1.00 0.85 C ATOM 56 CG1 ILE A 5 7.469 8.807 6.267 1.00 1.00 C ATOM 57 CG2 ILE A 5 5.248 8.065 5.270 1.00 0.95 C ATOM 58 CD1 ILE A 5 8.186 8.784 4.915 1.00 1.06 C ATOM 0 H ILE A 5 7.549 7.330 8.446 1.00 0.76 H new ATOM 0 HA ILE A 5 5.227 8.896 7.908 1.00 0.76 H new ATOM 0 HB ILE A 5 6.662 6.805 6.254 1.00 0.85 H new ATOM 0 HG12 ILE A 5 7.103 9.817 6.452 1.00 1.00 H new ATOM 0 HG13 ILE A 5 8.192 8.581 7.051 1.00 1.00 H new ATOM 0 HG21 ILE A 5 5.739 8.003 4.299 1.00 0.95 H new ATOM 0 HG22 ILE A 5 4.462 7.312 5.329 1.00 0.95 H new ATOM 0 HG23 ILE A 5 4.810 9.056 5.393 1.00 0.95 H new ATOM 0 HD11 ILE A 5 9.002 9.507 4.923 1.00 1.06 H new ATOM 0 HD12 ILE A 5 8.587 7.787 4.733 1.00 1.06 H new ATOM 0 HD13 ILE A 5 7.481 9.042 4.125 1.00 1.06 H new ATOM 70 N PHE A 6 4.764 5.628 8.237 1.00 0.64 N ATOM 71 CA PHE A 6 3.740 4.637 8.570 1.00 0.63 C ATOM 72 C PHE A 6 2.918 5.061 9.800 1.00 0.60 C ATOM 73 O PHE A 6 1.687 5.083 9.755 1.00 0.66 O ATOM 74 CB PHE A 6 4.380 3.252 8.771 1.00 0.74 C ATOM 75 CG PHE A 6 3.438 2.242 9.399 1.00 1.11 C ATOM 76 CD1 PHE A 6 2.408 1.660 8.636 1.00 1.58 C ATOM 77 CD2 PHE A 6 3.544 1.945 10.772 1.00 1.97 C ATOM 78 CE1 PHE A 6 1.463 0.819 9.250 1.00 1.92 C ATOM 79 CE2 PHE A 6 2.604 1.097 11.384 1.00 2.39 C ATOM 80 CZ PHE A 6 1.555 0.548 10.627 1.00 2.06 C ATOM 0 H PHE A 6 5.712 5.252 8.225 1.00 0.64 H new ATOM 0 HA PHE A 6 3.046 4.574 7.732 1.00 0.63 H new ATOM 0 HB2 PHE A 6 4.719 2.872 7.807 1.00 0.74 H new ATOM 0 HB3 PHE A 6 5.263 3.355 9.401 1.00 0.74 H new ATOM 0 HD1 PHE A 6 2.343 1.860 7.577 1.00 1.58 H new ATOM 0 HD2 PHE A 6 4.348 2.369 11.355 1.00 1.97 H new ATOM 0 HE1 PHE A 6 0.668 0.382 8.665 1.00 1.92 H new ATOM 0 HE2 PHE A 6 2.688 0.868 12.436 1.00 2.39 H new ATOM 0 HZ PHE A 6 0.819 -0.083 11.103 1.00 2.06 H new ATOM 90 N ARG A 7 3.585 5.475 10.882 1.00 0.63 N ATOM 91 CA ARG A 7 2.933 5.867 12.141 1.00 0.75 C ATOM 92 C ARG A 7 2.072 7.138 12.036 1.00 0.84 C ATOM 93 O ARG A 7 1.209 7.334 12.889 1.00 1.05 O ATOM 94 CB ARG A 7 4.051 6.006 13.193 1.00 0.84 C ATOM 95 CG ARG A 7 3.542 6.234 14.626 1.00 1.12 C ATOM 96 CD ARG A 7 4.655 6.082 15.673 1.00 1.91 C ATOM 97 NE ARG A 7 5.706 7.106 15.535 1.00 3.42 N ATOM 98 CZ ARG A 7 6.954 6.915 15.064 1.00 4.95 C ATOM 99 NH1 ARG A 7 7.371 5.720 14.615 1.00 5.09 N ATOM 100 NH2 ARG A 7 7.805 7.949 15.046 1.00 6.82 N ATOM 0 H ARG A 7 4.602 5.549 10.911 1.00 0.63 H new ATOM 0 HA ARG A 7 2.214 5.100 12.426 1.00 0.75 H new ATOM 0 HB2 ARG A 7 4.665 5.105 13.176 1.00 0.84 H new ATOM 0 HB3 ARG A 7 4.698 6.837 12.912 1.00 0.84 H new ATOM 0 HG2 ARG A 7 3.110 7.232 14.701 1.00 1.12 H new ATOM 0 HG3 ARG A 7 2.744 5.524 14.842 1.00 1.12 H new ATOM 0 HD2 ARG A 7 4.221 6.144 16.671 1.00 1.91 H new ATOM 0 HD3 ARG A 7 5.103 5.092 15.581 1.00 1.91 H new ATOM 0 HE ARG A 7 5.465 8.054 15.825 1.00 3.42 H new ATOM 0 HH11 ARG A 7 6.736 4.922 14.624 1.00 5.09 H new ATOM 0 HH12 ARG A 7 8.323 5.610 14.265 1.00 5.09 H new ATOM 0 HH21 ARG A 7 7.505 8.863 15.385 1.00 6.82 H new ATOM 0 HH22 ARG A 7 8.754 7.823 14.693 1.00 6.82 H new ATOM 114 N THR A 8 2.278 7.984 11.017 1.00 0.80 N ATOM 115 CA THR A 8 1.660 9.328 10.902 1.00 0.97 C ATOM 116 C THR A 8 0.731 9.561 9.703 1.00 1.13 C ATOM 117 O THR A 8 0.001 10.558 9.683 1.00 1.57 O ATOM 118 CB THR A 8 2.735 10.428 10.913 1.00 1.05 C ATOM 119 OG1 THR A 8 3.711 10.173 9.931 1.00 1.24 O ATOM 120 CG2 THR A 8 3.444 10.542 12.259 1.00 1.14 C ATOM 0 H THR A 8 2.888 7.757 10.232 1.00 0.80 H new ATOM 0 HA THR A 8 1.017 9.377 11.781 1.00 0.97 H new ATOM 0 HB THR A 8 2.213 11.363 10.711 1.00 1.05 H new ATOM 0 HG1 THR A 8 4.458 9.682 10.332 1.00 1.24 H new ATOM 0 HG21 THR A 8 4.192 11.333 12.210 1.00 1.14 H new ATOM 0 HG22 THR A 8 2.716 10.778 13.035 1.00 1.14 H new ATOM 0 HG23 THR A 8 3.931 9.596 12.495 1.00 1.14 H new ATOM 128 N ARG A 9 0.748 8.688 8.687 1.00 0.92 N ATOM 129 CA ARG A 9 -0.207 8.712 7.560 1.00 1.01 C ATOM 130 C ARG A 9 -0.509 7.319 6.983 1.00 1.17 C ATOM 131 O ARG A 9 -0.659 7.173 5.774 1.00 2.00 O ATOM 132 CB ARG A 9 0.136 9.803 6.512 1.00 1.50 C ATOM 133 CG ARG A 9 1.575 9.898 5.972 1.00 1.41 C ATOM 134 CD ARG A 9 2.526 10.615 6.943 1.00 2.50 C ATOM 135 NE ARG A 9 3.733 11.112 6.271 1.00 3.29 N ATOM 136 CZ ARG A 9 4.686 11.893 6.816 1.00 4.62 C ATOM 137 NH1 ARG A 9 4.595 12.356 8.071 1.00 5.53 N ATOM 138 NH2 ARG A 9 5.760 12.221 6.083 1.00 5.57 N ATOM 0 H ARG A 9 1.432 7.934 8.619 1.00 0.92 H new ATOM 0 HA ARG A 9 -1.167 9.025 7.972 1.00 1.01 H new ATOM 0 HB2 ARG A 9 -0.526 9.658 5.658 1.00 1.50 H new ATOM 0 HB3 ARG A 9 -0.115 10.769 6.950 1.00 1.50 H new ATOM 0 HG2 ARG A 9 1.952 8.894 5.775 1.00 1.41 H new ATOM 0 HG3 ARG A 9 1.567 10.428 5.020 1.00 1.41 H new ATOM 0 HD2 ARG A 9 2.003 11.449 7.411 1.00 2.50 H new ATOM 0 HD3 ARG A 9 2.812 9.930 7.741 1.00 2.50 H new ATOM 0 HE ARG A 9 3.863 10.839 5.297 1.00 3.29 H new ATOM 0 HH11 ARG A 9 3.786 12.119 8.645 1.00 5.53 H new ATOM 0 HH12 ARG A 9 5.335 12.945 8.452 1.00 5.53 H new ATOM 0 HH21 ARG A 9 5.848 11.880 5.126 1.00 5.57 H new ATOM 0 HH22 ARG A 9 6.489 12.812 6.483 1.00 5.57 H new ATOM 152 N CYS A 10 -0.562 6.281 7.826 1.00 0.81 N ATOM 153 CA CYS A 10 -0.765 4.899 7.351 1.00 0.85 C ATOM 154 C CYS A 10 -1.322 3.905 8.387 1.00 0.80 C ATOM 155 O CYS A 10 -2.101 3.019 8.021 1.00 0.89 O ATOM 156 CB CYS A 10 0.580 4.375 6.821 1.00 1.03 C ATOM 157 SG CYS A 10 0.569 3.143 5.490 1.00 1.86 S ATOM 0 H CYS A 10 -0.468 6.367 8.838 1.00 0.81 H new ATOM 0 HA CYS A 10 -1.535 4.958 6.582 1.00 0.85 H new ATOM 0 HB2 CYS A 10 1.155 5.233 6.473 1.00 1.03 H new ATOM 0 HB3 CYS A 10 1.124 3.947 7.663 1.00 1.03 H new ATOM 162 N SER A 11 -0.974 4.036 9.677 1.00 0.84 N ATOM 163 CA SER A 11 -1.344 3.057 10.723 1.00 0.92 C ATOM 164 C SER A 11 -2.854 3.036 11.043 1.00 1.09 C ATOM 165 O SER A 11 -3.373 2.063 11.599 1.00 1.76 O ATOM 166 CB SER A 11 -0.480 3.299 11.971 1.00 1.05 C ATOM 167 OG SER A 11 -0.693 2.291 12.944 1.00 2.28 O ATOM 0 H SER A 11 -0.428 4.822 10.029 1.00 0.84 H new ATOM 0 HA SER A 11 -1.138 2.059 10.336 1.00 0.92 H new ATOM 0 HB2 SER A 11 0.573 3.320 11.689 1.00 1.05 H new ATOM 0 HB3 SER A 11 -0.716 4.275 12.396 1.00 1.05 H new ATOM 0 HG SER A 11 -0.130 2.468 13.727 1.00 2.28 H new ATOM 173 N SER A 12 -3.595 4.060 10.597 1.00 1.60 N ATOM 174 CA SER A 12 -5.060 4.169 10.697 1.00 2.00 C ATOM 175 C SER A 12 -5.849 3.017 10.059 1.00 1.79 C ATOM 176 O SER A 12 -7.009 2.816 10.416 1.00 2.06 O ATOM 177 CB SER A 12 -5.515 5.498 10.083 1.00 2.61 C ATOM 178 OG SER A 12 -5.133 5.587 8.720 1.00 3.99 O ATOM 0 H SER A 12 -3.175 4.868 10.138 1.00 1.60 H new ATOM 0 HA SER A 12 -5.282 4.118 11.763 1.00 2.00 H new ATOM 0 HB2 SER A 12 -6.598 5.589 10.167 1.00 2.61 H new ATOM 0 HB3 SER A 12 -5.081 6.328 10.641 1.00 2.61 H new ATOM 0 HG SER A 12 -5.436 6.443 8.351 1.00 3.99 H new ATOM 184 N CYS A 13 -5.246 2.233 9.159 1.00 1.43 N ATOM 185 CA CYS A 13 -5.878 1.036 8.580 1.00 1.22 C ATOM 186 C CYS A 13 -4.942 -0.175 8.455 1.00 1.19 C ATOM 187 O CYS A 13 -5.353 -1.190 7.893 1.00 1.48 O ATOM 188 CB CYS A 13 -6.436 1.359 7.192 1.00 1.20 C ATOM 189 SG CYS A 13 -7.571 2.774 7.047 1.00 1.28 S ATOM 0 H CYS A 13 -4.304 2.408 8.809 1.00 1.43 H new ATOM 0 HA CYS A 13 -6.669 0.760 9.278 1.00 1.22 H new ATOM 0 HB2 CYS A 13 -5.593 1.535 6.524 1.00 1.20 H new ATOM 0 HB3 CYS A 13 -6.955 0.474 6.824 1.00 1.20 H new ATOM 194 N HIS A 14 -3.688 -0.091 8.913 1.00 1.04 N ATOM 195 CA HIS A 14 -2.672 -1.113 8.650 1.00 1.09 C ATOM 196 C HIS A 14 -1.745 -1.437 9.832 1.00 0.91 C ATOM 197 O HIS A 14 -1.719 -0.782 10.875 1.00 0.96 O ATOM 198 CB HIS A 14 -1.854 -0.716 7.408 1.00 1.39 C ATOM 199 CG HIS A 14 -2.557 -1.009 6.118 1.00 0.82 C ATOM 200 ND1 HIS A 14 -2.910 -2.236 5.613 1.00 1.79 N ATOM 201 CD2 HIS A 14 -2.847 -0.077 5.178 1.00 1.08 C ATOM 202 CE1 HIS A 14 -3.392 -2.037 4.372 1.00 2.10 C ATOM 203 NE2 HIS A 14 -3.385 -0.723 4.051 1.00 0.97 N ATOM 0 H HIS A 14 -3.350 0.689 9.477 1.00 1.04 H new ATOM 0 HA HIS A 14 -3.220 -2.038 8.474 1.00 1.09 H new ATOM 0 HB2 HIS A 14 -1.627 0.349 7.456 1.00 1.39 H new ATOM 0 HB3 HIS A 14 -0.902 -1.246 7.424 1.00 1.39 H new ATOM 0 HD1 HIS A 14 -2.823 -3.133 6.090 1.00 1.79 H new ATOM 0 HD2 HIS A 14 -2.691 0.987 5.278 1.00 1.08 H new ATOM 0 HE1 HIS A 14 -3.739 -2.824 3.718 1.00 2.10 H new ATOM 211 N THR A 15 -0.956 -2.476 9.571 1.00 0.93 N ATOM 212 CA THR A 15 0.116 -3.052 10.389 1.00 0.81 C ATOM 213 C THR A 15 1.191 -3.654 9.477 1.00 0.69 C ATOM 214 O THR A 15 0.941 -3.920 8.297 1.00 0.86 O ATOM 215 CB THR A 15 -0.406 -4.154 11.324 1.00 1.10 C ATOM 216 OG1 THR A 15 -1.038 -5.190 10.608 1.00 1.69 O ATOM 217 CG2 THR A 15 -1.380 -3.640 12.379 1.00 1.46 C ATOM 0 H THR A 15 -1.059 -2.989 8.695 1.00 0.93 H new ATOM 0 HA THR A 15 0.530 -2.249 10.999 1.00 0.81 H new ATOM 0 HB THR A 15 0.482 -4.533 11.829 1.00 1.10 H new ATOM 0 HG1 THR A 15 -1.913 -5.377 11.007 1.00 1.69 H new ATOM 0 HG21 THR A 15 -1.709 -4.469 13.005 1.00 1.46 H new ATOM 0 HG22 THR A 15 -0.884 -2.892 12.998 1.00 1.46 H new ATOM 0 HG23 THR A 15 -2.243 -3.190 11.889 1.00 1.46 H new ATOM 225 N VAL A 16 2.384 -3.898 10.024 1.00 0.72 N ATOM 226 CA VAL A 16 3.462 -4.634 9.341 1.00 0.74 C ATOM 227 C VAL A 16 3.756 -5.896 10.154 1.00 0.95 C ATOM 228 O VAL A 16 4.736 -5.990 10.892 1.00 1.31 O ATOM 229 CB VAL A 16 4.691 -3.741 9.048 1.00 1.01 C ATOM 230 CG1 VAL A 16 5.660 -4.443 8.088 1.00 1.57 C ATOM 231 CG2 VAL A 16 4.279 -2.418 8.385 1.00 1.32 C ATOM 0 H VAL A 16 2.636 -3.589 10.963 1.00 0.72 H new ATOM 0 HA VAL A 16 3.147 -4.945 8.345 1.00 0.74 H new ATOM 0 HB VAL A 16 5.168 -3.549 10.009 1.00 1.01 H new ATOM 0 HG11 VAL A 16 6.516 -3.796 7.897 1.00 1.57 H new ATOM 0 HG12 VAL A 16 6.003 -5.376 8.535 1.00 1.57 H new ATOM 0 HG13 VAL A 16 5.150 -4.657 7.149 1.00 1.57 H new ATOM 0 HG21 VAL A 16 5.167 -1.815 8.193 1.00 1.32 H new ATOM 0 HG22 VAL A 16 3.771 -2.626 7.443 1.00 1.32 H new ATOM 0 HG23 VAL A 16 3.607 -1.873 9.047 1.00 1.32 H new ATOM 241 N GLY A 17 2.836 -6.857 10.050 1.00 1.09 N ATOM 242 CA GLY A 17 2.879 -8.174 10.690 1.00 1.54 C ATOM 243 C GLY A 17 1.677 -8.520 11.583 1.00 2.34 C ATOM 244 O GLY A 17 1.593 -9.668 12.022 1.00 2.93 O ATOM 0 H GLY A 17 1.995 -6.731 9.487 1.00 1.09 H new ATOM 0 HA2 GLY A 17 2.961 -8.933 9.912 1.00 1.54 H new ATOM 0 HA3 GLY A 17 3.785 -8.236 11.292 1.00 1.54 H new ATOM 248 N ASN A 18 0.757 -7.585 11.871 1.00 2.64 N ATOM 249 CA ASN A 18 -0.111 -7.648 13.065 1.00 3.21 C ATOM 250 C ASN A 18 -1.630 -7.480 12.821 1.00 3.62 C ATOM 251 O ASN A 18 -2.348 -6.929 13.664 1.00 4.12 O ATOM 252 CB ASN A 18 0.446 -6.690 14.140 1.00 3.10 C ATOM 253 CG ASN A 18 1.834 -7.088 14.592 1.00 3.44 C ATOM 254 OD1 ASN A 18 2.034 -8.169 15.133 1.00 4.44 O ATOM 255 ND2 ASN A 18 2.823 -6.265 14.344 1.00 3.78 N ATOM 0 H ASN A 18 0.592 -6.765 11.287 1.00 2.64 H new ATOM 0 HA ASN A 18 -0.067 -8.676 13.424 1.00 3.21 H new ATOM 0 HB2 ASN A 18 0.472 -5.675 13.743 1.00 3.10 H new ATOM 0 HB3 ASN A 18 -0.225 -6.679 14.999 1.00 3.10 H new ATOM 0 HD21 ASN A 18 3.776 -6.521 14.602 1.00 3.78 H new ATOM 0 HD22 ASN A 18 2.640 -5.369 13.893 1.00 3.78 H new ATOM 262 N THR A 19 -2.152 -8.005 11.710 1.00 4.06 N ATOM 263 CA THR A 19 -3.595 -8.301 11.578 1.00 4.73 C ATOM 264 C THR A 19 -4.011 -9.480 12.467 1.00 5.17 C ATOM 265 O THR A 19 -3.173 -10.166 13.064 1.00 5.24 O ATOM 266 CB THR A 19 -3.984 -8.642 10.135 1.00 5.87 C ATOM 267 OG1 THR A 19 -3.221 -9.721 9.655 1.00 5.82 O ATOM 268 CG2 THR A 19 -3.832 -7.497 9.149 1.00 6.77 C ATOM 0 H THR A 19 -1.602 -8.237 10.883 1.00 4.06 H new ATOM 0 HA THR A 19 -4.112 -7.394 11.891 1.00 4.73 H new ATOM 0 HB THR A 19 -5.044 -8.889 10.193 1.00 5.87 H new ATOM 0 HG1 THR A 19 -3.485 -9.924 8.733 1.00 5.82 H new ATOM 0 HG21 THR A 19 -4.130 -7.831 8.155 1.00 6.77 H new ATOM 0 HG22 THR A 19 -4.465 -6.665 9.457 1.00 6.77 H new ATOM 0 HG23 THR A 19 -2.792 -7.172 9.126 1.00 6.77 H new ATOM 276 N GLU A 20 -5.310 -9.759 12.542 1.00 6.07 N ATOM 277 CA GLU A 20 -5.856 -10.987 13.132 1.00 7.12 C ATOM 278 C GLU A 20 -5.878 -12.162 12.110 1.00 7.78 C ATOM 279 O GLU A 20 -6.045 -11.922 10.905 1.00 7.82 O ATOM 280 CB GLU A 20 -7.237 -10.695 13.740 1.00 8.18 C ATOM 281 CG GLU A 20 -7.152 -9.664 14.877 1.00 8.26 C ATOM 282 CD GLU A 20 -8.495 -9.500 15.591 1.00 9.94 C ATOM 283 OE1 GLU A 20 -8.833 -10.394 16.408 1.00 10.98 O ATOM 284 OE2 GLU A 20 -9.207 -8.494 15.335 1.00 10.57 O ATOM 0 H GLU A 20 -6.030 -9.128 12.189 1.00 6.07 H new ATOM 0 HA GLU A 20 -5.199 -11.318 13.937 1.00 7.12 H new ATOM 0 HB2 GLU A 20 -7.906 -10.325 12.963 1.00 8.18 H new ATOM 0 HB3 GLU A 20 -7.670 -11.620 14.120 1.00 8.18 H new ATOM 0 HG2 GLU A 20 -6.393 -9.975 15.595 1.00 8.26 H new ATOM 0 HG3 GLU A 20 -6.834 -8.703 14.474 1.00 8.26 H new ATOM 291 N PRO A 21 -5.712 -13.433 12.546 1.00 8.74 N ATOM 292 CA PRO A 21 -5.617 -14.598 11.653 1.00 9.93 C ATOM 293 C PRO A 21 -6.811 -14.767 10.703 1.00 10.97 C ATOM 294 O PRO A 21 -7.946 -14.984 11.141 1.00 11.38 O ATOM 295 CB PRO A 21 -5.457 -15.818 12.571 1.00 10.85 C ATOM 296 CG PRO A 21 -4.731 -15.230 13.774 1.00 10.27 C ATOM 297 CD PRO A 21 -5.365 -13.845 13.904 1.00 9.04 C ATOM 0 HA PRO A 21 -4.769 -14.469 10.980 1.00 9.93 H new ATOM 0 HB2 PRO A 21 -6.420 -16.247 12.848 1.00 10.85 H new ATOM 0 HB3 PRO A 21 -4.879 -16.611 12.096 1.00 10.85 H new ATOM 0 HG2 PRO A 21 -4.882 -15.830 14.671 1.00 10.27 H new ATOM 0 HG3 PRO A 21 -3.655 -15.169 13.608 1.00 10.27 H new ATOM 0 HD2 PRO A 21 -6.250 -13.879 14.540 1.00 9.04 H new ATOM 0 HD3 PRO A 21 -4.671 -13.139 14.361 1.00 9.04 H new ATOM 305 N GLY A 22 -6.571 -14.674 9.392 1.00 11.64 N ATOM 306 CA GLY A 22 -7.616 -14.760 8.361 1.00 12.71 C ATOM 307 C GLY A 22 -8.702 -13.677 8.472 1.00 11.57 C ATOM 308 O GLY A 22 -9.845 -13.905 8.066 1.00 12.06 O ATOM 0 H GLY A 22 -5.636 -14.535 9.010 1.00 11.64 H new ATOM 0 HA2 GLY A 22 -7.148 -14.690 7.379 1.00 12.71 H new ATOM 0 HA3 GLY A 22 -8.089 -15.740 8.420 1.00 12.71 H new ATOM 312 N GLN A 23 -8.387 -12.541 9.103 1.00 10.32 N ATOM 313 CA GLN A 23 -9.313 -11.460 9.436 1.00 9.26 C ATOM 314 C GLN A 23 -8.607 -10.088 9.272 1.00 7.86 C ATOM 315 O GLN A 23 -7.978 -9.590 10.211 1.00 7.14 O ATOM 316 CB GLN A 23 -9.814 -11.735 10.859 1.00 9.30 C ATOM 317 CG GLN A 23 -10.875 -10.737 11.328 1.00 9.23 C ATOM 318 CD GLN A 23 -11.383 -11.033 12.735 1.00 9.89 C ATOM 319 OE1 GLN A 23 -11.140 -12.083 13.330 1.00 10.81 O ATOM 320 NE2 GLN A 23 -12.096 -10.102 13.317 1.00 9.98 N ATOM 0 H GLN A 23 -7.434 -12.344 9.409 1.00 10.32 H new ATOM 0 HA GLN A 23 -10.172 -11.421 8.766 1.00 9.26 H new ATOM 0 HB2 GLN A 23 -10.227 -12.743 10.903 1.00 9.30 H new ATOM 0 HB3 GLN A 23 -8.969 -11.707 11.547 1.00 9.30 H new ATOM 0 HG2 GLN A 23 -10.458 -9.730 11.302 1.00 9.23 H new ATOM 0 HG3 GLN A 23 -11.714 -10.752 10.633 1.00 9.23 H new ATOM 0 HE21 GLN A 23 -12.298 -9.232 12.825 1.00 9.98 H new ATOM 0 HE22 GLN A 23 -12.450 -10.247 14.263 1.00 9.98 H new ATOM 329 N PRO A 24 -8.672 -9.456 8.083 1.00 7.87 N ATOM 330 CA PRO A 24 -7.735 -8.403 7.666 1.00 7.11 C ATOM 331 C PRO A 24 -8.041 -6.987 8.188 1.00 5.82 C ATOM 332 O PRO A 24 -7.449 -6.020 7.718 1.00 6.11 O ATOM 333 CB PRO A 24 -7.720 -8.479 6.134 1.00 8.30 C ATOM 334 CG PRO A 24 -9.148 -8.910 5.814 1.00 9.39 C ATOM 335 CD PRO A 24 -9.474 -9.882 6.944 1.00 9.25 C ATOM 0 HA PRO A 24 -6.757 -8.585 8.111 1.00 7.11 H new ATOM 0 HB2 PRO A 24 -7.475 -7.518 5.682 1.00 8.30 H new ATOM 0 HB3 PRO A 24 -6.987 -9.199 5.770 1.00 8.30 H new ATOM 0 HG2 PRO A 24 -9.832 -8.062 5.801 1.00 9.39 H new ATOM 0 HG3 PRO A 24 -9.216 -9.389 4.837 1.00 9.39 H new ATOM 0 HD2 PRO A 24 -10.537 -9.859 7.184 1.00 9.25 H new ATOM 0 HD3 PRO A 24 -9.234 -10.906 6.659 1.00 9.25 H new ATOM 343 N GLY A 25 -8.960 -6.837 9.144 1.00 5.07 N ATOM 344 CA GLY A 25 -9.295 -5.547 9.757 1.00 4.13 C ATOM 345 C GLY A 25 -9.899 -4.553 8.758 1.00 3.23 C ATOM 346 O GLY A 25 -10.755 -4.920 7.945 1.00 3.61 O ATOM 0 H GLY A 25 -9.500 -7.617 9.520 1.00 5.07 H new ATOM 0 HA2 GLY A 25 -10.000 -5.710 10.572 1.00 4.13 H new ATOM 0 HA3 GLY A 25 -8.396 -5.114 10.195 1.00 4.13 H new ATOM 350 N ILE A 26 -9.442 -3.299 8.818 1.00 2.32 N ATOM 351 CA ILE A 26 -9.746 -2.244 7.835 1.00 1.99 C ATOM 352 C ILE A 26 -8.811 -2.374 6.615 1.00 2.92 C ATOM 353 O ILE A 26 -9.200 -2.034 5.498 1.00 4.19 O ATOM 354 CB ILE A 26 -9.649 -0.845 8.498 1.00 1.26 C ATOM 355 CG1 ILE A 26 -10.552 -0.752 9.752 1.00 1.32 C ATOM 356 CG2 ILE A 26 -10.057 0.262 7.506 1.00 1.93 C ATOM 357 CD1 ILE A 26 -10.399 0.557 10.537 1.00 1.25 C ATOM 0 H ILE A 26 -8.834 -2.976 9.570 1.00 2.32 H new ATOM 0 HA ILE A 26 -10.770 -2.363 7.480 1.00 1.99 H new ATOM 0 HB ILE A 26 -8.610 -0.704 8.796 1.00 1.26 H new ATOM 0 HG12 ILE A 26 -11.593 -0.861 9.446 1.00 1.32 H new ATOM 0 HG13 ILE A 26 -10.325 -1.588 10.413 1.00 1.32 H new ATOM 0 HG21 ILE A 26 -9.981 1.234 7.994 1.00 1.93 H new ATOM 0 HG22 ILE A 26 -9.395 0.237 6.641 1.00 1.93 H new ATOM 0 HG23 ILE A 26 -11.085 0.099 7.181 1.00 1.93 H new ATOM 0 HD11 ILE A 26 -11.065 0.544 11.400 1.00 1.25 H new ATOM 0 HD12 ILE A 26 -9.368 0.660 10.876 1.00 1.25 H new ATOM 0 HD13 ILE A 26 -10.655 1.399 9.894 1.00 1.25 H new ATOM 369 N GLY A 27 -7.608 -2.927 6.794 1.00 2.58 N ATOM 370 CA GLY A 27 -6.642 -3.179 5.724 1.00 3.58 C ATOM 371 C GLY A 27 -5.605 -4.267 6.072 1.00 2.81 C ATOM 372 O GLY A 27 -5.035 -4.245 7.170 1.00 2.81 O ATOM 0 H GLY A 27 -7.271 -3.219 7.712 1.00 2.58 H new ATOM 0 HA2 GLY A 27 -7.179 -3.476 4.823 1.00 3.58 H new ATOM 0 HA3 GLY A 27 -6.119 -2.251 5.492 1.00 3.58 H new ATOM 376 N PRO A 28 -5.304 -5.187 5.129 1.00 2.51 N ATOM 377 CA PRO A 28 -4.496 -6.391 5.362 1.00 1.99 C ATOM 378 C PRO A 28 -3.021 -6.120 5.702 1.00 1.80 C ATOM 379 O PRO A 28 -2.509 -5.016 5.507 1.00 2.07 O ATOM 380 CB PRO A 28 -4.623 -7.224 4.078 1.00 2.31 C ATOM 381 CG PRO A 28 -4.888 -6.170 3.007 1.00 3.08 C ATOM 382 CD PRO A 28 -5.787 -5.194 3.755 1.00 2.98 C ATOM 0 HA PRO A 28 -4.869 -6.909 6.246 1.00 1.99 H new ATOM 0 HB2 PRO A 28 -3.714 -7.788 3.872 1.00 2.31 H new ATOM 0 HB3 PRO A 28 -5.438 -7.945 4.144 1.00 2.31 H new ATOM 0 HG2 PRO A 28 -3.969 -5.698 2.661 1.00 3.08 H new ATOM 0 HG3 PRO A 28 -5.380 -6.591 2.130 1.00 3.08 H new ATOM 0 HD2 PRO A 28 -5.734 -4.198 3.316 1.00 2.98 H new ATOM 0 HD3 PRO A 28 -6.830 -5.508 3.708 1.00 2.98 H new ATOM 390 N ASP A 29 -2.345 -7.165 6.181 1.00 1.52 N ATOM 391 CA ASP A 29 -0.940 -7.168 6.597 1.00 1.29 C ATOM 392 C ASP A 29 0.015 -6.851 5.434 1.00 1.23 C ATOM 393 O ASP A 29 -0.033 -7.485 4.373 1.00 1.58 O ATOM 394 CB ASP A 29 -0.617 -8.538 7.221 1.00 1.59 C ATOM 395 CG ASP A 29 0.844 -8.719 7.644 1.00 1.94 C ATOM 396 OD1 ASP A 29 1.567 -7.713 7.795 1.00 2.81 O ATOM 397 OD2 ASP A 29 1.247 -9.889 7.865 1.00 2.92 O ATOM 0 H ASP A 29 -2.784 -8.079 6.295 1.00 1.52 H new ATOM 0 HA ASP A 29 -0.792 -6.378 7.333 1.00 1.29 H new ATOM 0 HB2 ASP A 29 -1.255 -8.684 8.093 1.00 1.59 H new ATOM 0 HB3 ASP A 29 -0.873 -9.318 6.504 1.00 1.59 H new ATOM 402 N LEU A 30 0.915 -5.894 5.666 1.00 0.94 N ATOM 403 CA LEU A 30 1.906 -5.427 4.699 1.00 0.94 C ATOM 404 C LEU A 30 3.222 -6.231 4.727 1.00 0.82 C ATOM 405 O LEU A 30 3.983 -6.166 3.760 1.00 1.02 O ATOM 406 CB LEU A 30 2.156 -3.929 4.953 1.00 0.97 C ATOM 407 CG LEU A 30 0.896 -3.034 4.946 1.00 1.05 C ATOM 408 CD1 LEU A 30 1.270 -1.586 5.265 1.00 1.14 C ATOM 409 CD2 LEU A 30 0.186 -3.048 3.590 1.00 1.55 C ATOM 0 H LEU A 30 0.975 -5.408 6.561 1.00 0.94 H new ATOM 0 HA LEU A 30 1.506 -5.584 3.697 1.00 0.94 H new ATOM 0 HB2 LEU A 30 2.653 -3.820 5.917 1.00 0.97 H new ATOM 0 HB3 LEU A 30 2.847 -3.560 4.195 1.00 0.97 H new ATOM 0 HG LEU A 30 0.225 -3.438 5.704 1.00 1.05 H new ATOM 0 HD11 LEU A 30 0.372 -0.968 5.256 1.00 1.14 H new ATOM 0 HD12 LEU A 30 1.734 -1.539 6.250 1.00 1.14 H new ATOM 0 HD13 LEU A 30 1.971 -1.218 4.516 1.00 1.14 H new ATOM 0 HD21 LEU A 30 -0.693 -2.405 3.633 1.00 1.55 H new ATOM 0 HD22 LEU A 30 0.865 -2.683 2.820 1.00 1.55 H new ATOM 0 HD23 LEU A 30 -0.120 -4.066 3.350 1.00 1.55 H new ATOM 421 N LEU A 31 3.522 -6.992 5.791 1.00 0.74 N ATOM 422 CA LEU A 31 4.792 -7.724 5.890 1.00 0.79 C ATOM 423 C LEU A 31 4.849 -8.846 4.851 1.00 0.96 C ATOM 424 O LEU A 31 3.976 -9.719 4.771 1.00 1.69 O ATOM 425 CB LEU A 31 5.052 -8.217 7.312 1.00 0.86 C ATOM 426 CG LEU A 31 6.534 -8.540 7.606 1.00 1.23 C ATOM 427 CD1 LEU A 31 6.781 -8.431 9.105 1.00 2.39 C ATOM 428 CD2 LEU A 31 6.971 -9.944 7.180 1.00 1.74 C ATOM 0 H LEU A 31 2.903 -7.116 6.593 1.00 0.74 H new ATOM 0 HA LEU A 31 5.604 -7.034 5.662 1.00 0.79 H new ATOM 0 HB2 LEU A 31 4.710 -7.459 8.016 1.00 0.86 H new ATOM 0 HB3 LEU A 31 4.454 -9.111 7.490 1.00 0.86 H new ATOM 0 HG LEU A 31 7.111 -7.822 7.024 1.00 1.23 H new ATOM 0 HD11 LEU A 31 7.825 -8.658 9.319 1.00 2.39 H new ATOM 0 HD12 LEU A 31 6.554 -7.418 9.438 1.00 2.39 H new ATOM 0 HD13 LEU A 31 6.141 -9.139 9.632 1.00 2.39 H new ATOM 0 HD21 LEU A 31 8.024 -10.087 7.423 1.00 1.74 H new ATOM 0 HD22 LEU A 31 6.373 -10.687 7.708 1.00 1.74 H new ATOM 0 HD23 LEU A 31 6.828 -10.059 6.106 1.00 1.74 H new ATOM 440 N GLY A 32 5.917 -8.802 4.064 1.00 0.84 N ATOM 441 CA GLY A 32 6.176 -9.708 2.944 1.00 0.93 C ATOM 442 C GLY A 32 5.397 -9.421 1.651 1.00 0.86 C ATOM 443 O GLY A 32 5.603 -10.142 0.673 1.00 1.01 O ATOM 0 H GLY A 32 6.656 -8.110 4.190 1.00 0.84 H new ATOM 0 HA2 GLY A 32 7.242 -9.678 2.717 1.00 0.93 H new ATOM 0 HA3 GLY A 32 5.947 -10.724 3.264 1.00 0.93 H new ATOM 447 N VAL A 33 4.532 -8.395 1.586 1.00 0.78 N ATOM 448 CA VAL A 33 3.757 -8.111 0.356 1.00 0.79 C ATOM 449 C VAL A 33 4.650 -7.623 -0.796 1.00 0.65 C ATOM 450 O VAL A 33 4.419 -7.956 -1.958 1.00 0.73 O ATOM 451 CB VAL A 33 2.582 -7.151 0.636 1.00 0.94 C ATOM 452 CG1 VAL A 33 2.966 -5.664 0.666 1.00 1.51 C ATOM 453 CG2 VAL A 33 1.489 -7.347 -0.418 1.00 1.74 C ATOM 0 H VAL A 33 4.350 -7.753 2.357 1.00 0.78 H new ATOM 0 HA VAL A 33 3.325 -9.055 0.025 1.00 0.79 H new ATOM 0 HB VAL A 33 2.232 -7.407 1.636 1.00 0.94 H new ATOM 0 HG11 VAL A 33 2.079 -5.063 0.869 1.00 1.51 H new ATOM 0 HG12 VAL A 33 3.706 -5.495 1.449 1.00 1.51 H new ATOM 0 HG13 VAL A 33 3.386 -5.377 -0.298 1.00 1.51 H new ATOM 0 HG21 VAL A 33 0.662 -6.667 -0.215 1.00 1.74 H new ATOM 0 HG22 VAL A 33 1.896 -7.139 -1.407 1.00 1.74 H new ATOM 0 HG23 VAL A 33 1.130 -8.375 -0.383 1.00 1.74 H new ATOM 463 N THR A 34 5.736 -6.927 -0.449 1.00 0.61 N ATOM 464 CA THR A 34 6.837 -6.456 -1.312 1.00 0.76 C ATOM 465 C THR A 34 7.517 -7.568 -2.118 1.00 0.77 C ATOM 466 O THR A 34 8.066 -7.294 -3.189 1.00 1.01 O ATOM 467 CB THR A 34 7.895 -5.763 -0.429 1.00 1.10 C ATOM 468 OG1 THR A 34 8.079 -6.506 0.758 1.00 2.91 O ATOM 469 CG2 THR A 34 7.432 -4.370 -0.010 1.00 2.10 C ATOM 0 H THR A 34 5.886 -6.653 0.522 1.00 0.61 H new ATOM 0 HA THR A 34 6.396 -5.772 -2.037 1.00 0.76 H new ATOM 0 HB THR A 34 8.815 -5.696 -1.010 1.00 1.10 H new ATOM 0 HG1 THR A 34 8.752 -6.066 1.318 1.00 2.91 H new ATOM 0 HG21 THR A 34 8.197 -3.904 0.612 1.00 2.10 H new ATOM 0 HG22 THR A 34 7.265 -3.760 -0.898 1.00 2.10 H new ATOM 0 HG23 THR A 34 6.504 -4.450 0.556 1.00 2.10 H new ATOM 477 N ARG A 35 7.425 -8.818 -1.638 1.00 0.71 N ATOM 478 CA ARG A 35 7.945 -10.044 -2.269 1.00 0.90 C ATOM 479 C ARG A 35 6.851 -11.041 -2.691 1.00 1.02 C ATOM 480 O ARG A 35 7.088 -12.252 -2.746 1.00 1.71 O ATOM 481 CB ARG A 35 9.077 -10.647 -1.423 1.00 1.12 C ATOM 482 CG ARG A 35 8.635 -11.096 -0.025 1.00 1.56 C ATOM 483 CD ARG A 35 9.819 -11.727 0.703 1.00 2.48 C ATOM 484 NE ARG A 35 9.448 -12.123 2.068 1.00 3.73 N ATOM 485 CZ ARG A 35 10.285 -12.145 3.119 1.00 5.02 C ATOM 486 NH1 ARG A 35 11.570 -11.777 2.996 1.00 5.48 N ATOM 487 NH2 ARG A 35 9.821 -12.541 4.311 1.00 6.33 N ATOM 0 H ARG A 35 6.961 -9.013 -0.751 1.00 0.71 H new ATOM 0 HA ARG A 35 8.388 -9.762 -3.224 1.00 0.90 H new ATOM 0 HB2 ARG A 35 9.498 -11.502 -1.953 1.00 1.12 H new ATOM 0 HB3 ARG A 35 9.874 -9.911 -1.322 1.00 1.12 H new ATOM 0 HG2 ARG A 35 8.259 -10.244 0.541 1.00 1.56 H new ATOM 0 HG3 ARG A 35 7.818 -11.813 -0.103 1.00 1.56 H new ATOM 0 HD2 ARG A 35 10.168 -12.599 0.150 1.00 2.48 H new ATOM 0 HD3 ARG A 35 10.648 -11.020 0.738 1.00 2.48 H new ATOM 0 HE ARG A 35 8.481 -12.403 2.231 1.00 3.73 H new ATOM 0 HH11 ARG A 35 11.929 -11.473 2.091 1.00 5.48 H new ATOM 0 HH12 ARG A 35 12.187 -11.802 3.808 1.00 5.48 H new ATOM 0 HH21 ARG A 35 8.845 -12.820 4.411 1.00 6.33 H new ATOM 0 HH22 ARG A 35 10.443 -12.563 5.119 1.00 6.33 H new ATOM 501 N GLN A 36 5.650 -10.529 -2.978 1.00 0.97 N ATOM 502 CA GLN A 36 4.484 -11.281 -3.432 1.00 1.15 C ATOM 503 C GLN A 36 3.757 -10.563 -4.591 1.00 1.21 C ATOM 504 O GLN A 36 3.596 -11.123 -5.681 1.00 1.84 O ATOM 505 CB GLN A 36 3.601 -11.489 -2.188 1.00 1.25 C ATOM 506 CG GLN A 36 2.222 -12.062 -2.510 1.00 2.81 C ATOM 507 CD GLN A 36 1.447 -12.468 -1.257 1.00 3.28 C ATOM 508 OE1 GLN A 36 1.615 -11.934 -0.165 1.00 3.65 O ATOM 509 NE2 GLN A 36 0.560 -13.425 -1.361 1.00 4.32 N ATOM 0 H GLN A 36 5.459 -9.530 -2.895 1.00 0.97 H new ATOM 0 HA GLN A 36 4.764 -12.246 -3.854 1.00 1.15 H new ATOM 0 HB2 GLN A 36 4.112 -12.159 -1.497 1.00 1.25 H new ATOM 0 HB3 GLN A 36 3.479 -10.535 -1.675 1.00 1.25 H new ATOM 0 HG2 GLN A 36 1.646 -11.322 -3.065 1.00 2.81 H new ATOM 0 HG3 GLN A 36 2.336 -12.930 -3.159 1.00 2.81 H new ATOM 0 HE21 GLN A 36 0.405 -13.882 -2.260 1.00 4.32 H new ATOM 0 HE22 GLN A 36 0.023 -13.714 -0.543 1.00 4.32 H new ATOM 518 N ARG A 37 3.336 -9.309 -4.385 1.00 0.90 N ATOM 519 CA ARG A 37 2.634 -8.484 -5.388 1.00 1.01 C ATOM 520 C ARG A 37 3.640 -7.812 -6.339 1.00 1.04 C ATOM 521 O ARG A 37 4.808 -7.634 -5.981 1.00 1.59 O ATOM 522 CB ARG A 37 1.744 -7.483 -4.629 1.00 1.19 C ATOM 523 CG ARG A 37 0.761 -6.657 -5.476 1.00 2.29 C ATOM 524 CD ARG A 37 -0.355 -7.486 -6.123 1.00 2.32 C ATOM 525 NE ARG A 37 -1.280 -8.021 -5.111 1.00 2.17 N ATOM 526 CZ ARG A 37 -2.065 -9.104 -5.240 1.00 2.57 C ATOM 527 NH1 ARG A 37 -2.081 -9.837 -6.365 1.00 3.27 N ATOM 528 NH2 ARG A 37 -2.852 -9.457 -4.213 1.00 2.62 N ATOM 0 H ARG A 37 3.475 -8.825 -3.498 1.00 0.90 H new ATOM 0 HA ARG A 37 1.997 -9.094 -6.029 1.00 1.01 H new ATOM 0 HB2 ARG A 37 1.172 -8.034 -3.883 1.00 1.19 H new ATOM 0 HB3 ARG A 37 2.392 -6.793 -4.088 1.00 1.19 H new ATOM 0 HG2 ARG A 37 0.311 -5.890 -4.846 1.00 2.29 H new ATOM 0 HG3 ARG A 37 1.317 -6.141 -6.259 1.00 2.29 H new ATOM 0 HD2 ARG A 37 -0.906 -6.868 -6.831 1.00 2.32 H new ATOM 0 HD3 ARG A 37 0.082 -8.308 -6.690 1.00 2.32 H new ATOM 0 HE ARG A 37 -1.330 -7.520 -4.224 1.00 2.17 H new ATOM 0 HH11 ARG A 37 -1.486 -9.577 -7.152 1.00 3.27 H new ATOM 0 HH12 ARG A 37 -2.688 -10.654 -6.433 1.00 3.27 H new ATOM 0 HH21 ARG A 37 -2.847 -8.907 -3.354 1.00 2.62 H new ATOM 0 HH22 ARG A 37 -3.455 -10.276 -4.291 1.00 2.62 H new ATOM 542 N ASP A 38 3.205 -7.446 -7.546 1.00 1.03 N ATOM 543 CA ASP A 38 4.050 -6.759 -8.534 1.00 1.04 C ATOM 544 C ASP A 38 4.665 -5.460 -7.978 1.00 1.01 C ATOM 545 O ASP A 38 3.977 -4.615 -7.398 1.00 1.19 O ATOM 546 CB ASP A 38 3.247 -6.496 -9.815 1.00 1.17 C ATOM 547 CG ASP A 38 4.069 -5.738 -10.856 1.00 2.41 C ATOM 548 OD1 ASP A 38 4.094 -4.490 -10.819 1.00 3.85 O ATOM 549 OD2 ASP A 38 4.752 -6.391 -11.679 1.00 2.70 O ATOM 0 H ASP A 38 2.253 -7.617 -7.870 1.00 1.03 H new ATOM 0 HA ASP A 38 4.888 -7.415 -8.771 1.00 1.04 H new ATOM 0 HB2 ASP A 38 2.914 -7.445 -10.236 1.00 1.17 H new ATOM 0 HB3 ASP A 38 2.352 -5.923 -9.572 1.00 1.17 H new ATOM 554 N ALA A 39 5.979 -5.306 -8.162 1.00 0.97 N ATOM 555 CA ALA A 39 6.755 -4.240 -7.537 1.00 0.98 C ATOM 556 C ALA A 39 6.493 -2.846 -8.135 1.00 0.94 C ATOM 557 O ALA A 39 6.784 -1.846 -7.478 1.00 1.20 O ATOM 558 CB ALA A 39 8.235 -4.625 -7.611 1.00 1.10 C ATOM 0 H ALA A 39 6.535 -5.924 -8.754 1.00 0.97 H new ATOM 0 HA ALA A 39 6.437 -4.148 -6.498 1.00 0.98 H new ATOM 0 HB1 ALA A 39 8.838 -3.843 -7.150 1.00 1.10 H new ATOM 0 HB2 ALA A 39 8.393 -5.565 -7.082 1.00 1.10 H new ATOM 0 HB3 ALA A 39 8.529 -4.742 -8.654 1.00 1.10 H new ATOM 564 N ASN A 40 5.944 -2.751 -9.350 1.00 0.84 N ATOM 565 CA ASN A 40 5.516 -1.483 -9.941 1.00 0.81 C ATOM 566 C ASN A 40 4.111 -1.114 -9.458 1.00 0.74 C ATOM 567 O ASN A 40 3.891 0.019 -9.015 1.00 0.87 O ATOM 568 CB ASN A 40 5.593 -1.570 -11.474 1.00 1.09 C ATOM 569 CG ASN A 40 6.991 -1.866 -11.960 1.00 1.89 C ATOM 570 OD1 ASN A 40 7.350 -3.014 -12.184 1.00 3.57 O ATOM 571 ND2 ASN A 40 7.821 -0.863 -12.093 1.00 2.15 N ATOM 0 H ASN A 40 5.784 -3.558 -9.953 1.00 0.84 H new ATOM 0 HA ASN A 40 6.187 -0.687 -9.617 1.00 0.81 H new ATOM 0 HB2 ASN A 40 4.916 -2.348 -11.826 1.00 1.09 H new ATOM 0 HB3 ASN A 40 5.251 -0.630 -11.907 1.00 1.09 H new ATOM 0 HD21 ASN A 40 8.783 -1.033 -12.387 1.00 2.15 H new ATOM 0 HD22 ASN A 40 7.506 0.088 -11.902 1.00 2.15 H new ATOM 578 N TRP A 41 3.197 -2.092 -9.479 1.00 0.76 N ATOM 579 CA TRP A 41 1.806 -1.951 -9.048 1.00 0.81 C ATOM 580 C TRP A 41 1.711 -1.511 -7.587 1.00 0.78 C ATOM 581 O TRP A 41 0.977 -0.576 -7.293 1.00 0.86 O ATOM 582 CB TRP A 41 1.053 -3.272 -9.267 1.00 0.87 C ATOM 583 CG TRP A 41 -0.425 -3.211 -9.006 1.00 0.94 C ATOM 584 CD1 TRP A 41 -1.381 -2.981 -9.935 1.00 0.95 C ATOM 585 CD2 TRP A 41 -1.135 -3.327 -7.731 1.00 1.06 C ATOM 586 NE1 TRP A 41 -2.626 -2.947 -9.333 1.00 1.07 N ATOM 587 CE2 TRP A 41 -2.526 -3.118 -7.970 1.00 1.13 C ATOM 588 CE3 TRP A 41 -0.742 -3.558 -6.393 1.00 1.17 C ATOM 589 CZ2 TRP A 41 -3.469 -3.102 -6.937 1.00 1.30 C ATOM 590 CZ3 TRP A 41 -1.683 -3.537 -5.345 1.00 1.32 C ATOM 591 CH2 TRP A 41 -3.042 -3.290 -5.612 1.00 1.40 C ATOM 0 H TRP A 41 3.415 -3.033 -9.808 1.00 0.76 H new ATOM 0 HA TRP A 41 1.342 -1.172 -9.652 1.00 0.81 H new ATOM 0 HB2 TRP A 41 1.212 -3.597 -10.295 1.00 0.87 H new ATOM 0 HB3 TRP A 41 1.490 -4.033 -8.621 1.00 0.87 H new ATOM 0 HD1 TRP A 41 -1.199 -2.844 -10.991 1.00 0.95 H new ATOM 0 HE1 TRP A 41 -3.504 -2.813 -9.834 1.00 1.07 H new ATOM 0 HE3 TRP A 41 0.297 -3.754 -6.171 1.00 1.17 H new ATOM 0 HZ2 TRP A 41 -4.515 -2.947 -7.156 1.00 1.30 H new ATOM 0 HZ3 TRP A 41 -1.359 -3.712 -4.330 1.00 1.32 H new ATOM 0 HH2 TRP A 41 -3.754 -3.245 -4.801 1.00 1.40 H new ATOM 602 N LEU A 42 2.498 -2.105 -6.679 1.00 0.74 N ATOM 603 CA LEU A 42 2.498 -1.751 -5.248 1.00 0.80 C ATOM 604 C LEU A 42 2.709 -0.250 -4.989 1.00 0.78 C ATOM 605 O LEU A 42 2.033 0.333 -4.141 1.00 0.85 O ATOM 606 CB LEU A 42 3.615 -2.544 -4.540 1.00 0.94 C ATOM 607 CG LEU A 42 3.239 -3.982 -4.153 1.00 1.51 C ATOM 608 CD1 LEU A 42 4.499 -4.705 -3.675 1.00 2.92 C ATOM 609 CD2 LEU A 42 2.217 -4.006 -3.011 1.00 2.12 C ATOM 0 H LEU A 42 3.156 -2.848 -6.915 1.00 0.74 H new ATOM 0 HA LEU A 42 1.513 -2.004 -4.856 1.00 0.80 H new ATOM 0 HB2 LEU A 42 4.488 -2.575 -5.192 1.00 0.94 H new ATOM 0 HB3 LEU A 42 3.908 -2.005 -3.639 1.00 0.94 H new ATOM 0 HG LEU A 42 2.803 -4.467 -5.026 1.00 1.51 H new ATOM 0 HD11 LEU A 42 4.248 -5.728 -3.396 1.00 2.92 H new ATOM 0 HD12 LEU A 42 5.237 -4.718 -4.477 1.00 2.92 H new ATOM 0 HD13 LEU A 42 4.911 -4.185 -2.811 1.00 2.92 H new ATOM 0 HD21 LEU A 42 1.973 -5.039 -2.763 1.00 2.12 H new ATOM 0 HD22 LEU A 42 2.638 -3.512 -2.135 1.00 2.12 H new ATOM 0 HD23 LEU A 42 1.312 -3.484 -3.322 1.00 2.12 H new ATOM 621 N VAL A 43 3.647 0.366 -5.712 1.00 0.74 N ATOM 622 CA VAL A 43 4.009 1.782 -5.546 1.00 0.78 C ATOM 623 C VAL A 43 3.041 2.695 -6.311 1.00 0.77 C ATOM 624 O VAL A 43 2.647 3.742 -5.799 1.00 0.85 O ATOM 625 CB VAL A 43 5.486 2.008 -5.939 1.00 0.86 C ATOM 626 CG1 VAL A 43 5.945 3.431 -5.612 1.00 1.22 C ATOM 627 CG2 VAL A 43 6.422 1.036 -5.198 1.00 1.07 C ATOM 0 H VAL A 43 4.185 -0.107 -6.438 1.00 0.74 H new ATOM 0 HA VAL A 43 3.913 2.051 -4.494 1.00 0.78 H new ATOM 0 HB VAL A 43 5.540 1.836 -7.014 1.00 0.86 H new ATOM 0 HG11 VAL A 43 6.989 3.552 -5.902 1.00 1.22 H new ATOM 0 HG12 VAL A 43 5.331 4.146 -6.159 1.00 1.22 H new ATOM 0 HG13 VAL A 43 5.843 3.609 -4.541 1.00 1.22 H new ATOM 0 HG21 VAL A 43 7.453 1.223 -5.499 1.00 1.07 H new ATOM 0 HG22 VAL A 43 6.325 1.186 -4.123 1.00 1.07 H new ATOM 0 HG23 VAL A 43 6.152 0.010 -5.447 1.00 1.07 H new ATOM 637 N ARG A 44 2.585 2.284 -7.505 1.00 0.75 N ATOM 638 CA ARG A 44 1.618 3.036 -8.315 1.00 0.84 C ATOM 639 C ARG A 44 0.211 3.036 -7.717 1.00 0.83 C ATOM 640 O ARG A 44 -0.404 4.095 -7.654 1.00 0.98 O ATOM 641 CB ARG A 44 1.622 2.460 -9.742 1.00 0.97 C ATOM 642 CG ARG A 44 0.734 3.226 -10.741 1.00 1.41 C ATOM 643 CD ARG A 44 1.063 4.723 -10.874 1.00 3.00 C ATOM 644 NE ARG A 44 2.469 4.964 -11.241 1.00 4.10 N ATOM 645 CZ ARG A 44 2.990 4.882 -12.480 1.00 4.58 C ATOM 646 NH1 ARG A 44 2.237 4.572 -13.546 1.00 4.04 N ATOM 647 NH2 ARG A 44 4.299 5.113 -12.650 1.00 6.39 N ATOM 0 H ARG A 44 2.882 1.410 -7.939 1.00 0.75 H new ATOM 0 HA ARG A 44 1.924 4.082 -8.333 1.00 0.84 H new ATOM 0 HB2 ARG A 44 2.646 2.454 -10.115 1.00 0.97 H new ATOM 0 HB3 ARG A 44 1.291 1.422 -9.703 1.00 0.97 H new ATOM 0 HG2 ARG A 44 0.826 2.759 -11.721 1.00 1.41 H new ATOM 0 HG3 ARG A 44 -0.307 3.122 -10.435 1.00 1.41 H new ATOM 0 HD2 ARG A 44 0.413 5.168 -11.627 1.00 3.00 H new ATOM 0 HD3 ARG A 44 0.847 5.224 -9.930 1.00 3.00 H new ATOM 0 HE ARG A 44 3.107 5.216 -10.487 1.00 4.10 H new ATOM 0 HH11 ARG A 44 1.240 4.391 -13.431 1.00 4.04 H new ATOM 0 HH12 ARG A 44 2.662 4.518 -14.472 1.00 4.04 H new ATOM 0 HH21 ARG A 44 4.884 5.347 -11.848 1.00 6.39 H new ATOM 0 HH22 ARG A 44 4.710 5.055 -13.582 1.00 6.39 H new ATOM 661 N TRP A 45 -0.278 1.899 -7.219 1.00 0.77 N ATOM 662 CA TRP A 45 -1.560 1.779 -6.512 1.00 0.88 C ATOM 663 C TRP A 45 -1.646 2.777 -5.359 1.00 1.02 C ATOM 664 O TRP A 45 -2.598 3.541 -5.266 1.00 1.18 O ATOM 665 CB TRP A 45 -1.728 0.350 -5.974 1.00 0.89 C ATOM 666 CG TRP A 45 -2.912 0.156 -5.077 1.00 1.09 C ATOM 667 CD1 TRP A 45 -2.877 0.039 -3.727 1.00 1.49 C ATOM 668 CD2 TRP A 45 -4.324 0.080 -5.450 1.00 1.14 C ATOM 669 NE1 TRP A 45 -4.168 -0.126 -3.253 1.00 1.68 N ATOM 670 CE2 TRP A 45 -5.097 -0.060 -4.262 1.00 1.50 C ATOM 671 CE3 TRP A 45 -5.035 0.113 -6.669 1.00 1.20 C ATOM 672 CZ2 TRP A 45 -6.498 -0.121 -4.271 1.00 1.74 C ATOM 673 CZ3 TRP A 45 -6.444 0.040 -6.691 1.00 1.55 C ATOM 674 CH2 TRP A 45 -7.175 -0.060 -5.495 1.00 1.73 C ATOM 0 H TRP A 45 0.218 1.011 -7.297 1.00 0.77 H new ATOM 0 HA TRP A 45 -2.360 2.000 -7.218 1.00 0.88 H new ATOM 0 HB2 TRP A 45 -1.812 -0.334 -6.818 1.00 0.89 H new ATOM 0 HB3 TRP A 45 -0.826 0.073 -5.428 1.00 0.89 H new ATOM 0 HD1 TRP A 45 -1.985 0.070 -3.118 1.00 1.49 H new ATOM 0 HE1 TRP A 45 -4.401 -0.278 -2.272 1.00 1.68 H new ATOM 0 HE3 TRP A 45 -4.492 0.195 -7.599 1.00 1.20 H new ATOM 0 HZ2 TRP A 45 -7.048 -0.214 -3.346 1.00 1.74 H new ATOM 0 HZ3 TRP A 45 -6.966 0.061 -7.636 1.00 1.55 H new ATOM 0 HH2 TRP A 45 -8.254 -0.090 -5.520 1.00 1.73 H new ATOM 685 N LEU A 46 -0.596 2.858 -4.539 1.00 1.07 N ATOM 686 CA LEU A 46 -0.484 3.777 -3.404 1.00 1.32 C ATOM 687 C LEU A 46 -0.570 5.272 -3.793 1.00 1.41 C ATOM 688 O LEU A 46 -0.891 6.111 -2.943 1.00 1.63 O ATOM 689 CB LEU A 46 0.837 3.405 -2.717 1.00 1.66 C ATOM 690 CG LEU A 46 1.205 4.168 -1.437 1.00 1.69 C ATOM 691 CD1 LEU A 46 0.109 4.114 -0.373 1.00 2.77 C ATOM 692 CD2 LEU A 46 2.451 3.494 -0.866 1.00 2.01 C ATOM 0 H LEU A 46 0.227 2.266 -4.650 1.00 1.07 H new ATOM 0 HA LEU A 46 -1.333 3.665 -2.730 1.00 1.32 H new ATOM 0 HB2 LEU A 46 0.805 2.342 -2.478 1.00 1.66 H new ATOM 0 HB3 LEU A 46 1.643 3.546 -3.437 1.00 1.66 H new ATOM 0 HG LEU A 46 1.357 5.217 -1.691 1.00 1.69 H new ATOM 0 HD11 LEU A 46 0.429 4.671 0.507 1.00 2.77 H new ATOM 0 HD12 LEU A 46 -0.805 4.555 -0.770 1.00 2.77 H new ATOM 0 HD13 LEU A 46 -0.079 3.076 -0.097 1.00 2.77 H new ATOM 0 HD21 LEU A 46 2.753 4.003 0.049 1.00 2.01 H new ATOM 0 HD22 LEU A 46 2.231 2.450 -0.645 1.00 2.01 H new ATOM 0 HD23 LEU A 46 3.260 3.547 -1.595 1.00 2.01 H new ATOM 704 N LYS A 47 -0.335 5.607 -5.066 1.00 1.32 N ATOM 705 CA LYS A 47 -0.385 6.962 -5.633 1.00 1.45 C ATOM 706 C LYS A 47 -1.722 7.320 -6.309 1.00 1.55 C ATOM 707 O LYS A 47 -1.914 8.496 -6.613 1.00 2.17 O ATOM 708 CB LYS A 47 0.815 7.117 -6.592 1.00 1.34 C ATOM 709 CG LYS A 47 2.142 7.337 -5.837 1.00 1.17 C ATOM 710 CD LYS A 47 3.383 7.163 -6.728 1.00 1.42 C ATOM 711 CE LYS A 47 3.393 8.051 -7.981 1.00 1.97 C ATOM 712 NZ LYS A 47 3.694 9.472 -7.683 1.00 2.72 N ATOM 0 H LYS A 47 -0.092 4.906 -5.766 1.00 1.32 H new ATOM 0 HA LYS A 47 -0.316 7.678 -4.814 1.00 1.45 H new ATOM 0 HB2 LYS A 47 0.897 6.226 -7.215 1.00 1.34 H new ATOM 0 HB3 LYS A 47 0.636 7.959 -7.261 1.00 1.34 H new ATOM 0 HG2 LYS A 47 2.147 8.340 -5.410 1.00 1.17 H new ATOM 0 HG3 LYS A 47 2.199 6.636 -5.005 1.00 1.17 H new ATOM 0 HD2 LYS A 47 4.273 7.379 -6.137 1.00 1.42 H new ATOM 0 HD3 LYS A 47 3.451 6.120 -7.036 1.00 1.42 H new ATOM 0 HE2 LYS A 47 4.133 7.669 -8.684 1.00 1.97 H new ATOM 0 HE3 LYS A 47 2.422 7.987 -8.473 1.00 1.97 H new ATOM 0 HZ1 LYS A 47 3.044 10.084 -8.216 1.00 2.72 H new ATOM 0 HZ2 LYS A 47 3.576 9.646 -6.664 1.00 2.72 H new ATOM 0 HZ3 LYS A 47 4.674 9.684 -7.959 1.00 2.72 H new ATOM 726 N VAL A 48 -2.636 6.371 -6.564 1.00 1.08 N ATOM 727 CA VAL A 48 -3.915 6.596 -7.289 1.00 1.07 C ATOM 728 C VAL A 48 -4.983 5.492 -7.030 1.00 0.80 C ATOM 729 O VAL A 48 -5.622 5.027 -7.970 1.00 0.76 O ATOM 730 CB VAL A 48 -3.579 6.819 -8.796 1.00 1.19 C ATOM 731 CG1 VAL A 48 -3.042 5.593 -9.547 1.00 1.83 C ATOM 732 CG2 VAL A 48 -4.713 7.427 -9.616 1.00 2.04 C ATOM 0 H VAL A 48 -2.512 5.402 -6.269 1.00 1.08 H new ATOM 0 HA VAL A 48 -4.401 7.490 -6.899 1.00 1.07 H new ATOM 0 HB VAL A 48 -2.768 7.543 -8.715 1.00 1.19 H new ATOM 0 HG11 VAL A 48 -2.842 5.861 -10.585 1.00 1.83 H new ATOM 0 HG12 VAL A 48 -2.120 5.253 -9.076 1.00 1.83 H new ATOM 0 HG13 VAL A 48 -3.782 4.793 -9.515 1.00 1.83 H new ATOM 0 HG21 VAL A 48 -4.391 7.546 -10.650 1.00 2.04 H new ATOM 0 HG22 VAL A 48 -5.581 6.769 -9.580 1.00 2.04 H new ATOM 0 HG23 VAL A 48 -4.978 8.401 -9.204 1.00 2.04 H new ATOM 742 N PRO A 49 -5.208 5.003 -5.789 1.00 0.72 N ATOM 743 CA PRO A 49 -5.947 3.752 -5.560 1.00 0.57 C ATOM 744 C PRO A 49 -7.439 3.828 -5.930 1.00 0.55 C ATOM 745 O PRO A 49 -7.927 3.008 -6.709 1.00 0.85 O ATOM 746 CB PRO A 49 -5.735 3.424 -4.076 1.00 0.69 C ATOM 747 CG PRO A 49 -5.535 4.799 -3.442 1.00 0.84 C ATOM 748 CD PRO A 49 -4.780 5.572 -4.521 1.00 0.89 C ATOM 0 HA PRO A 49 -5.570 2.966 -6.214 1.00 0.57 H new ATOM 0 HB2 PRO A 49 -6.594 2.905 -3.651 1.00 0.69 H new ATOM 0 HB3 PRO A 49 -4.868 2.781 -3.925 1.00 0.69 H new ATOM 0 HG2 PRO A 49 -6.486 5.272 -3.198 1.00 0.84 H new ATOM 0 HG3 PRO A 49 -4.963 4.737 -2.516 1.00 0.84 H new ATOM 0 HD2 PRO A 49 -5.010 6.636 -4.473 1.00 0.89 H new ATOM 0 HD3 PRO A 49 -3.702 5.472 -4.392 1.00 0.89 H new ATOM 756 N ASP A 50 -8.177 4.836 -5.450 1.00 0.66 N ATOM 757 CA ASP A 50 -9.616 4.951 -5.737 1.00 0.97 C ATOM 758 C ASP A 50 -9.905 5.285 -7.210 1.00 1.05 C ATOM 759 O ASP A 50 -10.967 4.933 -7.730 1.00 1.20 O ATOM 760 CB ASP A 50 -10.306 5.917 -4.758 1.00 1.49 C ATOM 761 CG ASP A 50 -9.983 7.402 -4.964 1.00 1.63 C ATOM 762 OD1 ASP A 50 -8.957 7.894 -4.440 1.00 3.18 O ATOM 763 OD2 ASP A 50 -10.806 8.117 -5.585 1.00 2.18 O ATOM 0 H ASP A 50 -7.805 5.583 -4.863 1.00 0.66 H new ATOM 0 HA ASP A 50 -10.054 3.966 -5.574 1.00 0.97 H new ATOM 0 HB2 ASP A 50 -11.385 5.782 -4.840 1.00 1.49 H new ATOM 0 HB3 ASP A 50 -10.026 5.639 -3.742 1.00 1.49 H new ATOM 768 N GLN A 51 -8.936 5.891 -7.906 1.00 1.05 N ATOM 769 CA GLN A 51 -8.998 6.184 -9.337 1.00 1.22 C ATOM 770 C GLN A 51 -8.477 5.024 -10.215 1.00 0.96 C ATOM 771 O GLN A 51 -8.934 4.888 -11.351 1.00 1.00 O ATOM 772 CB GLN A 51 -8.298 7.531 -9.589 1.00 1.69 C ATOM 773 CG GLN A 51 -9.178 8.701 -9.109 1.00 3.56 C ATOM 774 CD GLN A 51 -8.637 10.089 -9.448 1.00 4.02 C ATOM 775 OE1 GLN A 51 -7.957 10.309 -10.443 1.00 3.06 O ATOM 776 NE2 GLN A 51 -8.978 11.093 -8.664 1.00 6.06 N ATOM 0 H GLN A 51 -8.064 6.198 -7.475 1.00 1.05 H new ATOM 0 HA GLN A 51 -10.039 6.278 -9.645 1.00 1.22 H new ATOM 0 HB2 GLN A 51 -7.341 7.552 -9.068 1.00 1.69 H new ATOM 0 HB3 GLN A 51 -8.085 7.642 -10.652 1.00 1.69 H new ATOM 0 HG2 GLN A 51 -10.170 8.596 -9.548 1.00 3.56 H new ATOM 0 HG3 GLN A 51 -9.299 8.627 -8.028 1.00 3.56 H new ATOM 0 HE21 GLN A 51 -9.544 10.922 -7.833 1.00 6.06 H new ATOM 0 HE22 GLN A 51 -8.676 12.041 -8.889 1.00 6.06 H new ATOM 785 N MET A 52 -7.627 4.124 -9.704 1.00 0.81 N ATOM 786 CA MET A 52 -7.311 2.831 -10.339 1.00 0.78 C ATOM 787 C MET A 52 -8.516 1.876 -10.267 1.00 0.65 C ATOM 788 O MET A 52 -8.827 1.176 -11.233 1.00 0.76 O ATOM 789 CB MET A 52 -6.091 2.193 -9.653 1.00 0.77 C ATOM 790 CG MET A 52 -5.562 0.963 -10.399 1.00 1.46 C ATOM 791 SD MET A 52 -4.709 1.301 -11.965 1.00 2.40 S ATOM 792 CE MET A 52 -3.071 1.722 -11.312 1.00 2.20 C ATOM 0 H MET A 52 -7.131 4.273 -8.825 1.00 0.81 H new ATOM 0 HA MET A 52 -7.079 3.011 -11.389 1.00 0.78 H new ATOM 0 HB2 MET A 52 -5.296 2.934 -9.575 1.00 0.77 H new ATOM 0 HB3 MET A 52 -6.361 1.907 -8.636 1.00 0.77 H new ATOM 0 HG2 MET A 52 -4.877 0.428 -9.741 1.00 1.46 H new ATOM 0 HG3 MET A 52 -6.399 0.294 -10.599 1.00 1.46 H new ATOM 0 HE1 MET A 52 -2.401 1.962 -12.137 1.00 2.20 H new ATOM 0 HE2 MET A 52 -3.154 2.583 -10.649 1.00 2.20 H new ATOM 0 HE3 MET A 52 -2.672 0.874 -10.756 1.00 2.20 H new ATOM 802 N LEU A 53 -9.242 1.886 -9.143 1.00 0.55 N ATOM 803 CA LEU A 53 -10.494 1.142 -9.007 1.00 0.64 C ATOM 804 C LEU A 53 -11.590 1.724 -9.922 1.00 0.79 C ATOM 805 O LEU A 53 -12.330 0.963 -10.541 1.00 0.82 O ATOM 806 CB LEU A 53 -10.897 1.112 -7.519 1.00 0.72 C ATOM 807 CG LEU A 53 -11.876 -0.028 -7.178 1.00 1.18 C ATOM 808 CD1 LEU A 53 -11.187 -1.400 -7.158 1.00 1.91 C ATOM 809 CD2 LEU A 53 -12.484 0.202 -5.794 1.00 2.22 C ATOM 0 H LEU A 53 -8.978 2.408 -8.308 1.00 0.55 H new ATOM 0 HA LEU A 53 -10.356 0.113 -9.338 1.00 0.64 H new ATOM 0 HB2 LEU A 53 -10.000 1.007 -6.908 1.00 0.72 H new ATOM 0 HB3 LEU A 53 -11.353 2.066 -7.254 1.00 0.72 H new ATOM 0 HG LEU A 53 -12.641 -0.024 -7.955 1.00 1.18 H new ATOM 0 HD11 LEU A 53 -11.918 -2.171 -6.913 1.00 1.91 H new ATOM 0 HD12 LEU A 53 -10.757 -1.606 -8.138 1.00 1.91 H new ATOM 0 HD13 LEU A 53 -10.396 -1.399 -6.408 1.00 1.91 H new ATOM 0 HD21 LEU A 53 -13.175 -0.608 -5.561 1.00 2.22 H new ATOM 0 HD22 LEU A 53 -11.690 0.228 -5.048 1.00 2.22 H new ATOM 0 HD23 LEU A 53 -13.021 1.150 -5.786 1.00 2.22 H new ATOM 821 N ALA A 54 -11.650 3.052 -10.098 1.00 0.95 N ATOM 822 CA ALA A 54 -12.546 3.703 -11.063 1.00 1.17 C ATOM 823 C ALA A 54 -12.148 3.476 -12.540 1.00 1.21 C ATOM 824 O ALA A 54 -13.015 3.416 -13.412 1.00 1.38 O ATOM 825 CB ALA A 54 -12.641 5.191 -10.722 1.00 1.35 C ATOM 0 H ALA A 54 -11.074 3.708 -9.571 1.00 0.95 H new ATOM 0 HA ALA A 54 -13.527 3.237 -10.971 1.00 1.17 H new ATOM 0 HB1 ALA A 54 -13.304 5.685 -11.432 1.00 1.35 H new ATOM 0 HB2 ALA A 54 -13.037 5.309 -9.713 1.00 1.35 H new ATOM 0 HB3 ALA A 54 -11.650 5.641 -10.777 1.00 1.35 H new ATOM 831 N GLU A 55 -10.861 3.250 -12.839 1.00 1.13 N ATOM 832 CA GLU A 55 -10.394 2.734 -14.139 1.00 1.24 C ATOM 833 C GLU A 55 -10.888 1.290 -14.404 1.00 1.38 C ATOM 834 O GLU A 55 -10.872 0.831 -15.553 1.00 1.58 O ATOM 835 CB GLU A 55 -8.852 2.884 -14.229 1.00 1.23 C ATOM 836 CG GLU A 55 -8.212 2.210 -15.458 1.00 1.81 C ATOM 837 CD GLU A 55 -6.728 2.534 -15.702 1.00 1.85 C ATOM 838 OE1 GLU A 55 -6.136 3.447 -15.082 1.00 2.37 O ATOM 839 OE2 GLU A 55 -6.132 1.872 -16.591 1.00 2.92 O ATOM 0 H GLU A 55 -10.103 3.422 -12.178 1.00 1.13 H new ATOM 0 HA GLU A 55 -10.833 3.330 -14.939 1.00 1.24 H new ATOM 0 HB2 GLU A 55 -8.604 3.945 -14.243 1.00 1.23 H new ATOM 0 HB3 GLU A 55 -8.406 2.464 -13.327 1.00 1.23 H new ATOM 0 HG2 GLU A 55 -8.316 1.130 -15.352 1.00 1.81 H new ATOM 0 HG3 GLU A 55 -8.778 2.499 -16.343 1.00 1.81 H new ATOM 846 N LYS A 56 -11.379 0.584 -13.369 1.00 1.45 N ATOM 847 CA LYS A 56 -11.745 -0.844 -13.392 1.00 1.55 C ATOM 848 C LYS A 56 -10.587 -1.713 -13.904 1.00 1.52 C ATOM 849 O LYS A 56 -10.760 -2.618 -14.721 1.00 2.00 O ATOM 850 CB LYS A 56 -13.117 -1.060 -14.071 1.00 2.11 C ATOM 851 CG LYS A 56 -14.267 -0.479 -13.222 1.00 2.92 C ATOM 852 CD LYS A 56 -15.641 -0.668 -13.888 1.00 3.60 C ATOM 853 CE LYS A 56 -16.839 -0.436 -12.944 1.00 4.92 C ATOM 854 NZ LYS A 56 -16.869 0.924 -12.353 1.00 5.69 N ATOM 0 H LYS A 56 -11.538 1.011 -12.456 1.00 1.45 H new ATOM 0 HA LYS A 56 -11.900 -1.198 -12.373 1.00 1.55 H new ATOM 0 HB2 LYS A 56 -13.116 -0.589 -15.054 1.00 2.11 H new ATOM 0 HB3 LYS A 56 -13.282 -2.126 -14.228 1.00 2.11 H new ATOM 0 HG2 LYS A 56 -14.271 -0.959 -12.244 1.00 2.92 H new ATOM 0 HG3 LYS A 56 -14.090 0.583 -13.055 1.00 2.92 H new ATOM 0 HD2 LYS A 56 -15.720 0.017 -14.732 1.00 3.60 H new ATOM 0 HD3 LYS A 56 -15.701 -1.679 -14.291 1.00 3.60 H new ATOM 0 HE2 LYS A 56 -17.764 -0.605 -13.495 1.00 4.92 H new ATOM 0 HE3 LYS A 56 -16.807 -1.172 -12.141 1.00 4.92 H new ATOM 0 HZ1 LYS A 56 -17.697 1.014 -11.730 1.00 5.69 H new ATOM 0 HZ2 LYS A 56 -16.002 1.082 -11.801 1.00 5.69 H new ATOM 0 HZ3 LYS A 56 -16.929 1.631 -13.113 1.00 5.69 H new ATOM 868 N ASP A 57 -9.391 -1.397 -13.402 1.00 1.29 N ATOM 869 CA ASP A 57 -8.138 -2.117 -13.606 1.00 1.37 C ATOM 870 C ASP A 57 -8.170 -3.355 -12.707 1.00 1.12 C ATOM 871 O ASP A 57 -8.116 -3.251 -11.474 1.00 0.95 O ATOM 872 CB ASP A 57 -6.946 -1.209 -13.287 1.00 1.55 C ATOM 873 CG ASP A 57 -5.649 -1.800 -13.835 1.00 1.93 C ATOM 874 OD1 ASP A 57 -5.065 -2.702 -13.188 1.00 1.84 O ATOM 875 OD2 ASP A 57 -5.234 -1.413 -14.953 1.00 3.11 O ATOM 0 H ASP A 57 -9.267 -0.579 -12.805 1.00 1.29 H new ATOM 0 HA ASP A 57 -8.025 -2.425 -14.646 1.00 1.37 H new ATOM 0 HB2 ASP A 57 -7.111 -0.221 -13.717 1.00 1.55 H new ATOM 0 HB3 ASP A 57 -6.863 -1.077 -12.208 1.00 1.55 H new ATOM 880 N PRO A 58 -8.363 -4.531 -13.310 1.00 1.24 N ATOM 881 CA PRO A 58 -9.090 -5.623 -12.670 1.00 1.33 C ATOM 882 C PRO A 58 -8.348 -6.319 -11.529 1.00 1.35 C ATOM 883 O PRO A 58 -8.983 -6.897 -10.653 1.00 2.02 O ATOM 884 CB PRO A 58 -9.400 -6.556 -13.827 1.00 1.56 C ATOM 885 CG PRO A 58 -8.289 -6.296 -14.843 1.00 1.61 C ATOM 886 CD PRO A 58 -8.173 -4.799 -14.730 1.00 1.50 C ATOM 0 HA PRO A 58 -9.977 -5.257 -12.153 1.00 1.33 H new ATOM 0 HB2 PRO A 58 -9.407 -7.597 -13.505 1.00 1.56 H new ATOM 0 HB3 PRO A 58 -10.382 -6.347 -14.252 1.00 1.56 H new ATOM 0 HG2 PRO A 58 -7.361 -6.806 -14.585 1.00 1.61 H new ATOM 0 HG3 PRO A 58 -8.561 -6.618 -15.848 1.00 1.61 H new ATOM 0 HD2 PRO A 58 -7.200 -4.448 -15.075 1.00 1.50 H new ATOM 0 HD3 PRO A 58 -8.927 -4.295 -15.335 1.00 1.50 H new ATOM 894 N LEU A 59 -7.022 -6.199 -11.501 1.00 1.01 N ATOM 895 CA LEU A 59 -6.166 -6.679 -10.404 1.00 0.92 C ATOM 896 C LEU A 59 -6.686 -6.194 -9.033 1.00 0.68 C ATOM 897 O LEU A 59 -6.874 -7.001 -8.122 1.00 0.72 O ATOM 898 CB LEU A 59 -4.709 -6.231 -10.671 1.00 1.28 C ATOM 899 CG LEU A 59 -3.570 -7.092 -10.089 1.00 1.49 C ATOM 900 CD1 LEU A 59 -3.546 -7.153 -8.563 1.00 1.90 C ATOM 901 CD2 LEU A 59 -3.593 -8.523 -10.625 1.00 2.12 C ATOM 0 H LEU A 59 -6.496 -5.756 -12.254 1.00 1.01 H new ATOM 0 HA LEU A 59 -6.193 -7.768 -10.369 1.00 0.92 H new ATOM 0 HB2 LEU A 59 -4.569 -6.177 -11.751 1.00 1.28 H new ATOM 0 HB3 LEU A 59 -4.594 -5.219 -10.283 1.00 1.28 H new ATOM 0 HG LEU A 59 -2.666 -6.580 -10.421 1.00 1.49 H new ATOM 0 HD11 LEU A 59 -2.715 -7.778 -8.237 1.00 1.90 H new ATOM 0 HD12 LEU A 59 -3.423 -6.147 -8.161 1.00 1.90 H new ATOM 0 HD13 LEU A 59 -4.483 -7.577 -8.201 1.00 1.90 H new ATOM 0 HD21 LEU A 59 -2.772 -9.089 -10.186 1.00 2.12 H new ATOM 0 HD22 LEU A 59 -4.540 -8.995 -10.363 1.00 2.12 H new ATOM 0 HD23 LEU A 59 -3.484 -8.507 -11.709 1.00 2.12 H new ATOM 913 N ALA A 60 -7.024 -4.906 -8.905 1.00 0.70 N ATOM 914 CA ALA A 60 -7.618 -4.376 -7.676 1.00 0.71 C ATOM 915 C ALA A 60 -9.054 -4.874 -7.433 1.00 0.75 C ATOM 916 O ALA A 60 -9.402 -5.266 -6.318 1.00 0.85 O ATOM 917 CB ALA A 60 -7.608 -2.854 -7.732 1.00 0.92 C ATOM 0 H ALA A 60 -6.895 -4.211 -9.640 1.00 0.70 H new ATOM 0 HA ALA A 60 -7.015 -4.740 -6.844 1.00 0.71 H new ATOM 0 HB1 ALA A 60 -8.049 -2.453 -6.819 1.00 0.92 H new ATOM 0 HB2 ALA A 60 -6.581 -2.500 -7.824 1.00 0.92 H new ATOM 0 HB3 ALA A 60 -8.186 -2.518 -8.592 1.00 0.92 H new ATOM 923 N MET A 61 -9.880 -4.891 -8.487 1.00 0.76 N ATOM 924 CA MET A 61 -11.284 -5.327 -8.441 1.00 0.81 C ATOM 925 C MET A 61 -11.419 -6.767 -7.922 1.00 0.80 C ATOM 926 O MET A 61 -12.375 -7.095 -7.221 1.00 0.92 O ATOM 927 CB MET A 61 -11.905 -5.250 -9.847 1.00 0.93 C ATOM 928 CG MET A 61 -11.756 -3.908 -10.580 1.00 0.94 C ATOM 929 SD MET A 61 -12.768 -2.544 -9.957 1.00 1.72 S ATOM 930 CE MET A 61 -14.409 -3.145 -10.428 1.00 1.98 C ATOM 0 H MET A 61 -9.585 -4.595 -9.418 1.00 0.76 H new ATOM 0 HA MET A 61 -11.807 -4.660 -7.756 1.00 0.81 H new ATOM 0 HB2 MET A 61 -11.456 -6.029 -10.463 1.00 0.93 H new ATOM 0 HB3 MET A 61 -12.967 -5.480 -9.766 1.00 0.93 H new ATOM 0 HG2 MET A 61 -10.709 -3.607 -10.535 1.00 0.94 H new ATOM 0 HG3 MET A 61 -11.998 -4.063 -11.631 1.00 0.94 H new ATOM 0 HE1 MET A 61 -15.124 -2.323 -10.384 1.00 1.98 H new ATOM 0 HE2 MET A 61 -14.374 -3.541 -11.443 1.00 1.98 H new ATOM 0 HE3 MET A 61 -14.719 -3.933 -9.741 1.00 1.98 H new ATOM 940 N LEU A 62 -10.449 -7.624 -8.245 1.00 0.83 N ATOM 941 CA LEU A 62 -10.325 -8.986 -7.734 1.00 1.04 C ATOM 942 C LEU A 62 -9.929 -9.055 -6.256 1.00 1.18 C ATOM 943 O LEU A 62 -10.434 -9.934 -5.551 1.00 1.56 O ATOM 944 CB LEU A 62 -9.230 -9.697 -8.534 1.00 1.11 C ATOM 945 CG LEU A 62 -9.638 -10.118 -9.959 1.00 2.43 C ATOM 946 CD1 LEU A 62 -8.399 -10.563 -10.734 1.00 3.20 C ATOM 947 CD2 LEU A 62 -10.631 -11.283 -9.943 1.00 3.15 C ATOM 0 H LEU A 62 -9.702 -7.377 -8.894 1.00 0.83 H new ATOM 0 HA LEU A 62 -11.305 -9.453 -7.836 1.00 1.04 H new ATOM 0 HB2 LEU A 62 -8.363 -9.040 -8.599 1.00 1.11 H new ATOM 0 HB3 LEU A 62 -8.917 -10.584 -7.984 1.00 1.11 H new ATOM 0 HG LEU A 62 -10.110 -9.257 -10.432 1.00 2.43 H new ATOM 0 HD11 LEU A 62 -8.688 -10.861 -11.742 1.00 3.20 H new ATOM 0 HD12 LEU A 62 -7.688 -9.738 -10.789 1.00 3.20 H new ATOM 0 HD13 LEU A 62 -7.935 -11.408 -10.225 1.00 3.20 H new ATOM 0 HD21 LEU A 62 -10.894 -11.551 -10.966 1.00 3.15 H new ATOM 0 HD22 LEU A 62 -10.177 -12.142 -9.449 1.00 3.15 H new ATOM 0 HD23 LEU A 62 -11.530 -10.987 -9.402 1.00 3.15 H new ATOM 959 N LEU A 63 -8.991 -8.208 -5.805 1.00 1.04 N ATOM 960 CA LEU A 63 -8.358 -8.402 -4.492 1.00 1.25 C ATOM 961 C LEU A 63 -9.156 -7.747 -3.360 1.00 1.27 C ATOM 962 O LEU A 63 -9.190 -8.264 -2.240 1.00 1.43 O ATOM 963 CB LEU A 63 -6.856 -8.057 -4.570 1.00 1.48 C ATOM 964 CG LEU A 63 -6.493 -6.567 -4.476 1.00 1.46 C ATOM 965 CD1 LEU A 63 -6.353 -6.123 -3.022 1.00 1.97 C ATOM 966 CD2 LEU A 63 -5.150 -6.310 -5.149 1.00 2.55 C ATOM 0 H LEU A 63 -8.658 -7.394 -6.321 1.00 1.04 H new ATOM 0 HA LEU A 63 -8.388 -9.456 -4.217 1.00 1.25 H new ATOM 0 HB2 LEU A 63 -6.342 -8.586 -3.767 1.00 1.48 H new ATOM 0 HB3 LEU A 63 -6.464 -8.446 -5.510 1.00 1.48 H new ATOM 0 HG LEU A 63 -7.294 -6.012 -4.965 1.00 1.46 H new ATOM 0 HD11 LEU A 63 -6.096 -5.064 -2.988 1.00 1.97 H new ATOM 0 HD12 LEU A 63 -7.296 -6.284 -2.500 1.00 1.97 H new ATOM 0 HD13 LEU A 63 -5.567 -6.703 -2.539 1.00 1.97 H new ATOM 0 HD21 LEU A 63 -4.903 -5.251 -5.076 1.00 2.55 H new ATOM 0 HD22 LEU A 63 -4.377 -6.898 -4.654 1.00 2.55 H new ATOM 0 HD23 LEU A 63 -5.208 -6.598 -6.199 1.00 2.55 H new ATOM 978 N PHE A 64 -9.819 -6.624 -3.649 1.00 1.16 N ATOM 979 CA PHE A 64 -10.459 -5.817 -2.591 1.00 1.19 C ATOM 980 C PHE A 64 -11.723 -6.488 -2.023 1.00 1.22 C ATOM 981 O PHE A 64 -11.917 -6.546 -0.804 1.00 1.43 O ATOM 982 CB PHE A 64 -10.682 -4.362 -3.042 1.00 1.16 C ATOM 983 CG PHE A 64 -12.085 -4.008 -3.508 1.00 1.13 C ATOM 984 CD1 PHE A 64 -12.465 -4.215 -4.845 1.00 1.95 C ATOM 985 CD2 PHE A 64 -13.009 -3.462 -2.598 1.00 2.10 C ATOM 986 CE1 PHE A 64 -13.759 -3.863 -5.275 1.00 1.91 C ATOM 987 CE2 PHE A 64 -14.302 -3.109 -3.024 1.00 2.16 C ATOM 988 CZ PHE A 64 -14.677 -3.307 -4.365 1.00 1.17 C ATOM 0 H PHE A 64 -9.930 -6.251 -4.592 1.00 1.16 H new ATOM 0 HA PHE A 64 -9.763 -5.768 -1.754 1.00 1.19 H new ATOM 0 HB2 PHE A 64 -10.420 -3.703 -2.214 1.00 1.16 H new ATOM 0 HB3 PHE A 64 -9.987 -4.145 -3.853 1.00 1.16 H new ATOM 0 HD1 PHE A 64 -11.763 -4.645 -5.544 1.00 1.95 H new ATOM 0 HD2 PHE A 64 -12.724 -3.313 -1.567 1.00 2.10 H new ATOM 0 HE1 PHE A 64 -14.047 -4.020 -6.304 1.00 1.91 H new ATOM 0 HE2 PHE A 64 -15.006 -2.686 -2.322 1.00 2.16 H new ATOM 0 HZ PHE A 64 -15.668 -3.033 -4.696 1.00 1.17 H new ATOM 998 N GLU A 65 -12.545 -7.092 -2.889 1.00 1.10 N ATOM 999 CA GLU A 65 -13.754 -7.822 -2.473 1.00 1.16 C ATOM 1000 C GLU A 65 -13.461 -9.074 -1.623 1.00 1.22 C ATOM 1001 O GLU A 65 -14.354 -9.569 -0.929 1.00 1.40 O ATOM 1002 CB GLU A 65 -14.612 -8.211 -3.688 1.00 1.27 C ATOM 1003 CG GLU A 65 -15.046 -7.005 -4.529 1.00 1.72 C ATOM 1004 CD GLU A 65 -16.247 -7.352 -5.411 1.00 2.04 C ATOM 1005 OE1 GLU A 65 -17.391 -7.377 -4.905 1.00 2.86 O ATOM 1006 OE2 GLU A 65 -16.081 -7.625 -6.623 1.00 2.66 O ATOM 0 H GLU A 65 -12.393 -7.090 -3.898 1.00 1.10 H new ATOM 0 HA GLU A 65 -14.306 -7.129 -1.838 1.00 1.16 H new ATOM 0 HB2 GLU A 65 -14.049 -8.901 -4.317 1.00 1.27 H new ATOM 0 HB3 GLU A 65 -15.498 -8.744 -3.344 1.00 1.27 H new ATOM 0 HG2 GLU A 65 -15.301 -6.173 -3.873 1.00 1.72 H new ATOM 0 HG3 GLU A 65 -14.216 -6.675 -5.153 1.00 1.72 H new ATOM 1013 N GLN A 66 -12.222 -9.580 -1.652 1.00 1.16 N ATOM 1014 CA GLN A 66 -11.800 -10.795 -0.945 1.00 1.27 C ATOM 1015 C GLN A 66 -11.129 -10.561 0.412 1.00 1.41 C ATOM 1016 O GLN A 66 -10.934 -11.523 1.156 1.00 1.76 O ATOM 1017 CB GLN A 66 -10.862 -11.609 -1.857 1.00 1.46 C ATOM 1018 CG GLN A 66 -11.573 -12.295 -3.031 1.00 2.24 C ATOM 1019 CD GLN A 66 -12.498 -13.446 -2.637 1.00 3.02 C ATOM 1020 OE1 GLN A 66 -12.456 -14.001 -1.542 1.00 3.46 O ATOM 1021 NE2 GLN A 66 -13.367 -13.855 -3.530 1.00 4.09 N ATOM 0 H GLN A 66 -11.466 -9.145 -2.181 1.00 1.16 H new ATOM 0 HA GLN A 66 -12.716 -11.341 -0.719 1.00 1.27 H new ATOM 0 HB2 GLN A 66 -10.090 -10.947 -2.250 1.00 1.46 H new ATOM 0 HB3 GLN A 66 -10.358 -12.367 -1.258 1.00 1.46 H new ATOM 0 HG2 GLN A 66 -12.155 -11.548 -3.571 1.00 2.24 H new ATOM 0 HG3 GLN A 66 -10.820 -12.673 -3.722 1.00 2.24 H new ATOM 0 HE21 GLN A 66 -13.412 -13.402 -4.443 1.00 4.09 H new ATOM 0 HE22 GLN A 66 -13.998 -14.626 -3.312 1.00 4.09 H new ATOM 1030 N TYR A 67 -10.787 -9.317 0.761 1.00 1.36 N ATOM 1031 CA TYR A 67 -10.337 -8.985 2.113 1.00 1.69 C ATOM 1032 C TYR A 67 -11.519 -8.587 3.003 1.00 2.19 C ATOM 1033 O TYR A 67 -11.810 -9.269 3.991 1.00 3.92 O ATOM 1034 CB TYR A 67 -9.237 -7.912 2.070 1.00 1.39 C ATOM 1035 CG TYR A 67 -7.887 -8.416 1.588 1.00 1.20 C ATOM 1036 CD1 TYR A 67 -7.203 -9.409 2.320 1.00 2.16 C ATOM 1037 CD2 TYR A 67 -7.297 -7.877 0.428 1.00 2.22 C ATOM 1038 CE1 TYR A 67 -5.929 -9.845 1.912 1.00 1.97 C ATOM 1039 CE2 TYR A 67 -6.014 -8.302 0.030 1.00 2.59 C ATOM 1040 CZ TYR A 67 -5.320 -9.275 0.778 1.00 1.55 C ATOM 1041 OH TYR A 67 -4.059 -9.643 0.424 1.00 1.95 O ATOM 0 H TYR A 67 -10.814 -8.522 0.122 1.00 1.36 H new ATOM 0 HA TYR A 67 -9.895 -9.873 2.564 1.00 1.69 H new ATOM 0 HB2 TYR A 67 -9.562 -7.101 1.418 1.00 1.39 H new ATOM 0 HB3 TYR A 67 -9.119 -7.490 3.068 1.00 1.39 H new ATOM 0 HD1 TYR A 67 -7.660 -9.838 3.200 1.00 2.16 H new ATOM 0 HD2 TYR A 67 -7.827 -7.139 -0.155 1.00 2.22 H new ATOM 0 HE1 TYR A 67 -5.418 -10.617 2.469 1.00 1.97 H new ATOM 0 HE2 TYR A 67 -5.559 -7.880 -0.854 1.00 2.59 H new ATOM 0 HH TYR A 67 -3.577 -8.864 0.076 1.00 1.95 H new ATOM 1051 N ASN A 68 -12.190 -7.484 2.664 1.00 1.51 N ATOM 1052 CA ASN A 68 -13.229 -6.875 3.500 1.00 1.95 C ATOM 1053 C ASN A 68 -14.243 -5.994 2.734 1.00 1.56 C ATOM 1054 O ASN A 68 -14.957 -5.217 3.375 1.00 1.64 O ATOM 1055 CB ASN A 68 -12.538 -6.101 4.648 1.00 2.63 C ATOM 1056 CG ASN A 68 -11.673 -4.935 4.191 1.00 4.87 C ATOM 1057 OD1 ASN A 68 -11.531 -4.642 3.014 1.00 6.10 O ATOM 1058 ND2 ASN A 68 -11.042 -4.261 5.122 1.00 5.82 N ATOM 0 H ASN A 68 -12.026 -6.982 1.791 1.00 1.51 H new ATOM 0 HA ASN A 68 -13.844 -7.681 3.899 1.00 1.95 H new ATOM 0 HB2 ASN A 68 -13.303 -5.725 5.328 1.00 2.63 H new ATOM 0 HB3 ASN A 68 -11.919 -6.795 5.217 1.00 2.63 H new ATOM 0 HD21 ASN A 68 -10.429 -3.488 4.865 1.00 5.82 H new ATOM 0 HD22 ASN A 68 -11.164 -4.510 6.104 1.00 5.82 H new ATOM 1065 N ARG A 69 -14.330 -6.092 1.393 1.00 1.40 N ATOM 1066 CA ARG A 69 -15.273 -5.287 0.572 1.00 1.60 C ATOM 1067 C ARG A 69 -15.210 -3.755 0.815 1.00 1.36 C ATOM 1068 O ARG A 69 -16.216 -3.059 0.674 1.00 2.00 O ATOM 1069 CB ARG A 69 -16.696 -5.893 0.740 1.00 2.41 C ATOM 1070 CG ARG A 69 -17.107 -6.823 -0.410 1.00 2.73 C ATOM 1071 CD ARG A 69 -17.479 -6.073 -1.696 1.00 2.03 C ATOM 1072 NE ARG A 69 -18.678 -5.241 -1.513 1.00 2.46 N ATOM 1073 CZ ARG A 69 -19.455 -4.748 -2.494 1.00 2.92 C ATOM 1074 NH1 ARG A 69 -19.187 -4.975 -3.789 1.00 3.17 N ATOM 1075 NH2 ARG A 69 -20.525 -4.012 -2.162 1.00 4.10 N ATOM 0 H ARG A 69 -13.752 -6.728 0.844 1.00 1.40 H new ATOM 0 HA ARG A 69 -14.966 -5.359 -0.472 1.00 1.60 H new ATOM 0 HB2 ARG A 69 -16.737 -6.448 1.677 1.00 2.41 H new ATOM 0 HB3 ARG A 69 -17.420 -5.082 0.817 1.00 2.41 H new ATOM 0 HG2 ARG A 69 -16.288 -7.510 -0.623 1.00 2.73 H new ATOM 0 HG3 ARG A 69 -17.956 -7.428 -0.092 1.00 2.73 H new ATOM 0 HD2 ARG A 69 -16.644 -5.445 -2.005 1.00 2.03 H new ATOM 0 HD3 ARG A 69 -17.653 -6.790 -2.498 1.00 2.03 H new ATOM 0 HE ARG A 69 -18.945 -5.017 -0.554 1.00 2.46 H new ATOM 0 HH11 ARG A 69 -18.376 -5.535 -4.051 1.00 3.17 H new ATOM 0 HH12 ARG A 69 -19.795 -4.588 -4.511 1.00 3.17 H new ATOM 0 HH21 ARG A 69 -20.737 -3.835 -1.180 1.00 4.10 H new ATOM 0 HH22 ARG A 69 -21.127 -3.629 -2.891 1.00 4.10 H new ATOM 1089 N LEU A 70 -14.037 -3.219 1.164 1.00 0.92 N ATOM 1090 CA LEU A 70 -13.811 -1.792 1.442 1.00 0.89 C ATOM 1091 C LEU A 70 -12.774 -1.191 0.480 1.00 1.27 C ATOM 1092 O LEU A 70 -11.737 -1.801 0.228 1.00 3.11 O ATOM 1093 CB LEU A 70 -13.379 -1.656 2.916 1.00 0.93 C ATOM 1094 CG LEU A 70 -13.099 -0.221 3.399 1.00 1.24 C ATOM 1095 CD1 LEU A 70 -14.338 0.673 3.323 1.00 2.69 C ATOM 1096 CD2 LEU A 70 -12.626 -0.258 4.851 1.00 1.81 C ATOM 0 H LEU A 70 -13.191 -3.780 1.265 1.00 0.92 H new ATOM 0 HA LEU A 70 -14.730 -1.229 1.280 1.00 0.89 H new ATOM 0 HB2 LEU A 70 -14.158 -2.086 3.545 1.00 0.93 H new ATOM 0 HB3 LEU A 70 -12.480 -2.253 3.069 1.00 0.93 H new ATOM 0 HG LEU A 70 -12.335 0.195 2.742 1.00 1.24 H new ATOM 0 HD11 LEU A 70 -14.087 1.674 3.675 1.00 2.69 H new ATOM 0 HD12 LEU A 70 -14.685 0.727 2.291 1.00 2.69 H new ATOM 0 HD13 LEU A 70 -15.127 0.256 3.949 1.00 2.69 H new ATOM 0 HD21 LEU A 70 -12.427 0.757 5.195 1.00 1.81 H new ATOM 0 HD22 LEU A 70 -13.399 -0.707 5.474 1.00 1.81 H new ATOM 0 HD23 LEU A 70 -11.714 -0.850 4.921 1.00 1.81 H new ATOM 1108 N ALA A 71 -13.027 0.015 -0.034 1.00 0.90 N ATOM 1109 CA ALA A 71 -12.073 0.754 -0.862 1.00 0.75 C ATOM 1110 C ALA A 71 -11.021 1.535 -0.038 1.00 0.82 C ATOM 1111 O ALA A 71 -11.300 2.047 1.051 1.00 1.57 O ATOM 1112 CB ALA A 71 -12.852 1.673 -1.810 1.00 0.89 C ATOM 0 H ALA A 71 -13.907 0.509 0.114 1.00 0.90 H new ATOM 0 HA ALA A 71 -11.495 0.033 -1.440 1.00 0.75 H new ATOM 0 HB1 ALA A 71 -12.152 2.230 -2.433 1.00 0.89 H new ATOM 0 HB2 ALA A 71 -13.504 1.073 -2.444 1.00 0.89 H new ATOM 0 HB3 ALA A 71 -13.454 2.371 -1.228 1.00 0.89 H new ATOM 1118 N MET A 72 -9.817 1.685 -0.602 1.00 0.68 N ATOM 1119 CA MET A 72 -8.744 2.552 -0.101 1.00 0.84 C ATOM 1120 C MET A 72 -8.734 3.888 -0.878 1.00 0.77 C ATOM 1121 O MET A 72 -8.598 3.861 -2.102 1.00 0.74 O ATOM 1122 CB MET A 72 -7.409 1.791 -0.211 1.00 1.23 C ATOM 1123 CG MET A 72 -6.178 2.640 0.135 1.00 0.86 C ATOM 1124 SD MET A 72 -4.627 1.695 0.322 1.00 0.98 S ATOM 1125 CE MET A 72 -3.447 3.026 -0.010 1.00 1.70 C ATOM 0 H MET A 72 -9.553 1.187 -1.452 1.00 0.68 H new ATOM 0 HA MET A 72 -8.906 2.804 0.947 1.00 0.84 H new ATOM 0 HB2 MET A 72 -7.440 0.926 0.452 1.00 1.23 H new ATOM 0 HB3 MET A 72 -7.302 1.410 -1.227 1.00 1.23 H new ATOM 0 HG2 MET A 72 -6.039 3.389 -0.645 1.00 0.86 H new ATOM 0 HG3 MET A 72 -6.374 3.178 1.063 1.00 0.86 H new ATOM 0 HE1 MET A 72 -2.431 2.637 0.059 1.00 1.70 H new ATOM 0 HE2 MET A 72 -3.617 3.421 -1.011 1.00 1.70 H new ATOM 0 HE3 MET A 72 -3.581 3.822 0.722 1.00 1.70 H new ATOM 1135 N PRO A 73 -8.863 5.055 -0.214 1.00 0.89 N ATOM 1136 CA PRO A 73 -8.753 6.363 -0.859 1.00 0.95 C ATOM 1137 C PRO A 73 -7.286 6.774 -1.070 1.00 0.91 C ATOM 1138 O PRO A 73 -6.378 6.225 -0.442 1.00 0.90 O ATOM 1139 CB PRO A 73 -9.489 7.317 0.083 1.00 1.12 C ATOM 1140 CG PRO A 73 -9.174 6.736 1.462 1.00 1.14 C ATOM 1141 CD PRO A 73 -9.142 5.227 1.205 1.00 1.02 C ATOM 0 HA PRO A 73 -9.185 6.367 -1.860 1.00 0.95 H new ATOM 0 HB2 PRO A 73 -9.130 8.341 -0.017 1.00 1.12 H new ATOM 0 HB3 PRO A 73 -10.561 7.334 -0.114 1.00 1.12 H new ATOM 0 HG2 PRO A 73 -8.220 7.100 1.844 1.00 1.14 H new ATOM 0 HG3 PRO A 73 -9.935 7.004 2.195 1.00 1.14 H new ATOM 0 HD2 PRO A 73 -8.375 4.746 1.812 1.00 1.02 H new ATOM 0 HD3 PRO A 73 -10.094 4.768 1.472 1.00 1.02 H new ATOM 1149 N ASN A 74 -7.038 7.762 -1.936 1.00 0.97 N ATOM 1150 CA ASN A 74 -5.697 8.329 -2.108 1.00 1.04 C ATOM 1151 C ASN A 74 -5.307 9.221 -0.912 1.00 1.11 C ATOM 1152 O ASN A 74 -5.995 10.200 -0.605 1.00 1.85 O ATOM 1153 CB ASN A 74 -5.605 9.063 -3.460 1.00 1.09 C ATOM 1154 CG ASN A 74 -4.182 9.423 -3.856 1.00 1.32 C ATOM 1155 OD1 ASN A 74 -3.228 9.248 -3.113 1.00 1.85 O ATOM 1156 ND2 ASN A 74 -3.988 9.937 -5.040 1.00 1.81 N ATOM 0 H ASN A 74 -7.750 8.186 -2.530 1.00 0.97 H new ATOM 0 HA ASN A 74 -4.967 7.520 -2.127 1.00 1.04 H new ATOM 0 HB2 ASN A 74 -6.042 8.435 -4.236 1.00 1.09 H new ATOM 0 HB3 ASN A 74 -6.202 9.974 -3.412 1.00 1.09 H new ATOM 0 HD21 ASN A 74 -3.046 10.189 -5.338 1.00 1.81 H new ATOM 0 HD22 ASN A 74 -4.779 10.087 -5.667 1.00 1.81 H new ATOM 1163 N MET A 75 -4.183 8.923 -0.259 1.00 1.17 N ATOM 1164 CA MET A 75 -3.617 9.729 0.833 1.00 1.36 C ATOM 1165 C MET A 75 -2.955 11.033 0.347 1.00 1.28 C ATOM 1166 O MET A 75 -2.729 11.933 1.156 1.00 1.76 O ATOM 1167 CB MET A 75 -2.607 8.879 1.622 1.00 1.79 C ATOM 1168 CG MET A 75 -3.252 7.694 2.355 1.00 2.04 C ATOM 1169 SD MET A 75 -4.536 8.106 3.571 1.00 1.98 S ATOM 1170 CE MET A 75 -3.571 9.033 4.797 1.00 3.06 C ATOM 0 H MET A 75 -3.625 8.097 -0.476 1.00 1.17 H new ATOM 0 HA MET A 75 -4.444 10.029 1.476 1.00 1.36 H new ATOM 0 HB2 MET A 75 -1.846 8.503 0.938 1.00 1.79 H new ATOM 0 HB3 MET A 75 -2.098 9.513 2.348 1.00 1.79 H new ATOM 0 HG2 MET A 75 -3.686 7.026 1.611 1.00 2.04 H new ATOM 0 HG3 MET A 75 -2.465 7.136 2.863 1.00 2.04 H new ATOM 0 HE1 MET A 75 -4.053 8.957 5.772 1.00 3.06 H new ATOM 0 HE2 MET A 75 -2.564 8.619 4.856 1.00 3.06 H new ATOM 0 HE3 MET A 75 -3.516 10.080 4.500 1.00 3.06 H new ATOM 1180 N ARG A 76 -2.681 11.150 -0.961 1.00 1.57 N ATOM 1181 CA ARG A 76 -1.962 12.257 -1.623 1.00 1.72 C ATOM 1182 C ARG A 76 -0.587 12.530 -1.002 1.00 1.04 C ATOM 1183 O ARG A 76 -0.323 13.595 -0.433 1.00 1.25 O ATOM 1184 CB ARG A 76 -2.849 13.509 -1.758 1.00 2.64 C ATOM 1185 CG ARG A 76 -4.088 13.260 -2.639 1.00 3.86 C ATOM 1186 CD ARG A 76 -4.881 14.549 -2.897 1.00 4.49 C ATOM 1187 NE ARG A 76 -4.119 15.505 -3.717 1.00 5.07 N ATOM 1188 CZ ARG A 76 -4.498 16.762 -4.009 1.00 5.60 C ATOM 1189 NH1 ARG A 76 -5.663 17.266 -3.571 1.00 5.69 N ATOM 1190 NH2 ARG A 76 -3.691 17.529 -4.754 1.00 6.62 N ATOM 0 H ARG A 76 -2.971 10.434 -1.627 1.00 1.57 H new ATOM 0 HA ARG A 76 -1.741 11.936 -2.641 1.00 1.72 H new ATOM 0 HB2 ARG A 76 -3.170 13.832 -0.768 1.00 2.64 H new ATOM 0 HB3 ARG A 76 -2.262 14.323 -2.184 1.00 2.64 H new ATOM 0 HG2 ARG A 76 -3.775 12.831 -3.591 1.00 3.86 H new ATOM 0 HG3 ARG A 76 -4.735 12.527 -2.156 1.00 3.86 H new ATOM 0 HD2 ARG A 76 -5.817 14.305 -3.399 1.00 4.49 H new ATOM 0 HD3 ARG A 76 -5.141 15.013 -1.945 1.00 4.49 H new ATOM 0 HE ARG A 76 -3.227 15.187 -4.096 1.00 5.07 H new ATOM 0 HH11 ARG A 76 -6.285 16.692 -3.002 1.00 5.69 H new ATOM 0 HH12 ARG A 76 -5.926 18.223 -3.807 1.00 5.69 H new ATOM 0 HH21 ARG A 76 -2.803 17.158 -5.091 1.00 6.62 H new ATOM 0 HH22 ARG A 76 -3.965 18.484 -4.984 1.00 6.62 H new ATOM 1204 N LEU A 77 0.282 11.525 -1.112 1.00 0.96 N ATOM 1205 CA LEU A 77 1.691 11.563 -0.708 1.00 1.12 C ATOM 1206 C LEU A 77 2.603 12.042 -1.857 1.00 1.25 C ATOM 1207 O LEU A 77 2.245 11.937 -3.037 1.00 1.41 O ATOM 1208 CB LEU A 77 2.112 10.163 -0.219 1.00 1.54 C ATOM 1209 CG LEU A 77 1.230 9.532 0.877 1.00 1.44 C ATOM 1210 CD1 LEU A 77 1.802 8.174 1.287 1.00 1.81 C ATOM 1211 CD2 LEU A 77 1.110 10.394 2.133 1.00 2.46 C ATOM 0 H LEU A 77 0.013 10.622 -1.502 1.00 0.96 H new ATOM 0 HA LEU A 77 1.803 12.283 0.103 1.00 1.12 H new ATOM 0 HB2 LEU A 77 2.127 9.490 -1.077 1.00 1.54 H new ATOM 0 HB3 LEU A 77 3.134 10.224 0.156 1.00 1.54 H new ATOM 0 HG LEU A 77 0.235 9.434 0.442 1.00 1.44 H new ATOM 0 HD11 LEU A 77 1.174 7.734 2.062 1.00 1.81 H new ATOM 0 HD12 LEU A 77 1.827 7.513 0.421 1.00 1.81 H new ATOM 0 HD13 LEU A 77 2.813 8.306 1.671 1.00 1.81 H new ATOM 0 HD21 LEU A 77 0.476 9.889 2.862 1.00 2.46 H new ATOM 0 HD22 LEU A 77 2.100 10.552 2.562 1.00 2.46 H new ATOM 0 HD23 LEU A 77 0.669 11.356 1.873 1.00 2.46 H new ATOM 1223 N GLY A 78 3.797 12.533 -1.511 1.00 1.30 N ATOM 1224 CA GLY A 78 4.868 12.869 -2.461 1.00 1.49 C ATOM 1225 C GLY A 78 5.759 11.668 -2.812 1.00 1.19 C ATOM 1226 O GLY A 78 5.883 10.729 -2.028 1.00 0.99 O ATOM 0 H GLY A 78 4.054 12.713 -0.540 1.00 1.30 H new ATOM 0 HA2 GLY A 78 4.424 13.264 -3.375 1.00 1.49 H new ATOM 0 HA3 GLY A 78 5.486 13.661 -2.038 1.00 1.49 H new ATOM 1230 N ASP A 79 6.411 11.690 -3.978 1.00 1.25 N ATOM 1231 CA ASP A 79 7.163 10.538 -4.505 1.00 1.12 C ATOM 1232 C ASP A 79 8.314 10.083 -3.590 1.00 1.03 C ATOM 1233 O ASP A 79 8.466 8.880 -3.376 1.00 1.24 O ATOM 1234 CB ASP A 79 7.694 10.840 -5.918 1.00 1.33 C ATOM 1235 CG ASP A 79 6.621 10.670 -6.994 1.00 2.08 C ATOM 1236 OD1 ASP A 79 5.874 11.629 -7.285 1.00 3.16 O ATOM 1237 OD2 ASP A 79 6.484 9.566 -7.574 1.00 3.05 O ATOM 0 H ASP A 79 6.435 12.507 -4.588 1.00 1.25 H new ATOM 0 HA ASP A 79 6.456 9.709 -4.547 1.00 1.12 H new ATOM 0 HB2 ASP A 79 8.077 11.860 -5.949 1.00 1.33 H new ATOM 0 HB3 ASP A 79 8.532 10.178 -6.137 1.00 1.33 H new ATOM 1242 N ALA A 80 9.084 11.006 -2.996 1.00 1.16 N ATOM 1243 CA ALA A 80 10.196 10.658 -2.102 1.00 1.22 C ATOM 1244 C ALA A 80 9.738 10.214 -0.695 1.00 1.11 C ATOM 1245 O ALA A 80 10.423 9.419 -0.044 1.00 1.16 O ATOM 1246 CB ALA A 80 11.159 11.848 -2.027 1.00 1.60 C ATOM 0 H ALA A 80 8.954 12.010 -3.121 1.00 1.16 H new ATOM 0 HA ALA A 80 10.705 9.790 -2.522 1.00 1.22 H new ATOM 0 HB1 ALA A 80 11.990 11.602 -1.366 1.00 1.60 H new ATOM 0 HB2 ALA A 80 11.541 12.070 -3.023 1.00 1.60 H new ATOM 0 HB3 ALA A 80 10.631 12.719 -1.639 1.00 1.60 H new ATOM 1252 N GLU A 81 8.573 10.690 -0.246 1.00 1.12 N ATOM 1253 CA GLU A 81 7.889 10.265 0.978 1.00 1.11 C ATOM 1254 C GLU A 81 7.355 8.831 0.814 1.00 0.97 C ATOM 1255 O GLU A 81 7.548 7.988 1.695 1.00 0.98 O ATOM 1256 CB GLU A 81 6.797 11.321 1.267 1.00 1.36 C ATOM 1257 CG GLU A 81 5.591 10.838 2.080 1.00 1.24 C ATOM 1258 CD GLU A 81 4.587 11.971 2.343 1.00 1.25 C ATOM 1259 OE1 GLU A 81 4.225 12.704 1.391 1.00 1.97 O ATOM 1260 OE2 GLU A 81 4.156 12.145 3.507 1.00 2.08 O ATOM 0 H GLU A 81 8.059 11.414 -0.748 1.00 1.12 H new ATOM 0 HA GLU A 81 8.557 10.218 1.838 1.00 1.11 H new ATOM 0 HB2 GLU A 81 7.257 12.154 1.798 1.00 1.36 H new ATOM 0 HB3 GLU A 81 6.436 11.710 0.315 1.00 1.36 H new ATOM 0 HG2 GLU A 81 5.093 10.029 1.546 1.00 1.24 H new ATOM 0 HG3 GLU A 81 5.934 10.429 3.030 1.00 1.24 H new ATOM 1267 N VAL A 82 6.792 8.513 -0.359 1.00 0.91 N ATOM 1268 CA VAL A 82 6.461 7.137 -0.749 1.00 0.91 C ATOM 1269 C VAL A 82 7.727 6.278 -0.795 1.00 0.91 C ATOM 1270 O VAL A 82 7.741 5.237 -0.144 1.00 1.01 O ATOM 1271 CB VAL A 82 5.673 7.107 -2.076 1.00 0.94 C ATOM 1272 CG1 VAL A 82 5.479 5.684 -2.609 1.00 1.05 C ATOM 1273 CG2 VAL A 82 4.275 7.706 -1.885 1.00 1.01 C ATOM 0 H VAL A 82 6.552 9.207 -1.067 1.00 0.91 H new ATOM 0 HA VAL A 82 5.805 6.705 0.007 1.00 0.91 H new ATOM 0 HB VAL A 82 6.263 7.686 -2.787 1.00 0.94 H new ATOM 0 HG11 VAL A 82 4.919 5.719 -3.544 1.00 1.05 H new ATOM 0 HG12 VAL A 82 6.452 5.226 -2.786 1.00 1.05 H new ATOM 0 HG13 VAL A 82 4.927 5.093 -1.877 1.00 1.05 H new ATOM 0 HG21 VAL A 82 3.734 7.676 -2.831 1.00 1.01 H new ATOM 0 HG22 VAL A 82 3.731 7.129 -1.138 1.00 1.01 H new ATOM 0 HG23 VAL A 82 4.365 8.740 -1.550 1.00 1.01 H new ATOM 1283 N SER A 83 8.813 6.706 -1.456 1.00 0.87 N ATOM 1284 CA SER A 83 10.071 5.934 -1.555 1.00 0.88 C ATOM 1285 C SER A 83 10.622 5.493 -0.188 1.00 0.84 C ATOM 1286 O SER A 83 11.035 4.339 -0.038 1.00 0.80 O ATOM 1287 CB SER A 83 11.162 6.747 -2.272 1.00 1.07 C ATOM 1288 OG SER A 83 10.823 7.006 -3.621 1.00 1.67 O ATOM 0 H SER A 83 8.848 7.602 -1.941 1.00 0.87 H new ATOM 0 HA SER A 83 9.817 5.041 -2.127 1.00 0.88 H new ATOM 0 HB2 SER A 83 11.316 7.690 -1.748 1.00 1.07 H new ATOM 0 HB3 SER A 83 12.106 6.203 -2.232 1.00 1.07 H new ATOM 0 HG SER A 83 10.055 7.614 -3.654 1.00 1.67 H new ATOM 1294 N ALA A 84 10.585 6.367 0.825 1.00 0.93 N ATOM 1295 CA ALA A 84 10.979 6.018 2.193 1.00 0.95 C ATOM 1296 C ALA A 84 10.053 4.953 2.806 1.00 0.86 C ATOM 1297 O ALA A 84 10.530 3.987 3.405 1.00 0.82 O ATOM 1298 CB ALA A 84 10.996 7.293 3.043 1.00 1.08 C ATOM 0 H ALA A 84 10.281 7.335 0.718 1.00 0.93 H new ATOM 0 HA ALA A 84 11.977 5.579 2.170 1.00 0.95 H new ATOM 0 HB1 ALA A 84 11.288 7.046 4.064 1.00 1.08 H new ATOM 0 HB2 ALA A 84 11.710 8.001 2.623 1.00 1.08 H new ATOM 0 HB3 ALA A 84 10.002 7.740 3.048 1.00 1.08 H new ATOM 1304 N LEU A 85 8.737 5.068 2.607 1.00 0.88 N ATOM 1305 CA LEU A 85 7.760 4.086 3.082 1.00 0.89 C ATOM 1306 C LEU A 85 7.870 2.725 2.361 1.00 0.77 C ATOM 1307 O LEU A 85 7.683 1.687 2.999 1.00 0.82 O ATOM 1308 CB LEU A 85 6.364 4.719 2.961 1.00 1.10 C ATOM 1309 CG LEU A 85 5.228 3.879 3.567 1.00 1.18 C ATOM 1310 CD1 LEU A 85 5.398 3.627 5.062 1.00 2.67 C ATOM 1311 CD2 LEU A 85 3.912 4.626 3.385 1.00 1.40 C ATOM 0 H LEU A 85 8.317 5.852 2.108 1.00 0.88 H new ATOM 0 HA LEU A 85 7.963 3.845 4.125 1.00 0.89 H new ATOM 0 HB2 LEU A 85 6.378 5.694 3.448 1.00 1.10 H new ATOM 0 HB3 LEU A 85 6.148 4.893 1.907 1.00 1.10 H new ATOM 0 HG LEU A 85 5.242 2.918 3.053 1.00 1.18 H new ATOM 0 HD11 LEU A 85 4.563 3.029 5.427 1.00 2.67 H new ATOM 0 HD12 LEU A 85 6.332 3.092 5.237 1.00 2.67 H new ATOM 0 HD13 LEU A 85 5.421 4.580 5.591 1.00 2.67 H new ATOM 0 HD21 LEU A 85 3.098 4.039 3.811 1.00 1.40 H new ATOM 0 HD22 LEU A 85 3.968 5.590 3.891 1.00 1.40 H new ATOM 0 HD23 LEU A 85 3.727 4.784 2.322 1.00 1.40 H new ATOM 1323 N ILE A 86 8.262 2.707 1.079 1.00 0.71 N ATOM 1324 CA ILE A 86 8.600 1.475 0.338 1.00 0.76 C ATOM 1325 C ILE A 86 9.796 0.802 1.029 1.00 0.84 C ATOM 1326 O ILE A 86 9.766 -0.399 1.301 1.00 1.02 O ATOM 1327 CB ILE A 86 8.908 1.735 -1.161 1.00 0.87 C ATOM 1328 CG1 ILE A 86 7.820 2.506 -1.945 1.00 1.31 C ATOM 1329 CG2 ILE A 86 9.143 0.398 -1.889 1.00 1.33 C ATOM 1330 CD1 ILE A 86 6.365 2.172 -1.588 1.00 0.90 C ATOM 0 H ILE A 86 8.355 3.554 0.518 1.00 0.71 H new ATOM 0 HA ILE A 86 7.730 0.819 0.355 1.00 0.76 H new ATOM 0 HB ILE A 86 9.794 2.370 -1.145 1.00 0.87 H new ATOM 0 HG12 ILE A 86 7.975 3.573 -1.788 1.00 1.31 H new ATOM 0 HG13 ILE A 86 7.964 2.316 -3.009 1.00 1.31 H new ATOM 0 HG21 ILE A 86 9.358 0.589 -2.940 1.00 1.33 H new ATOM 0 HG22 ILE A 86 9.987 -0.121 -1.434 1.00 1.33 H new ATOM 0 HG23 ILE A 86 8.250 -0.222 -1.809 1.00 1.33 H new ATOM 0 HD11 ILE A 86 5.693 2.773 -2.201 1.00 0.90 H new ATOM 0 HD12 ILE A 86 6.178 1.114 -1.775 1.00 0.90 H new ATOM 0 HD13 ILE A 86 6.189 2.391 -0.535 1.00 0.90 H new ATOM 1342 N SER A 87 10.811 1.594 1.398 1.00 0.80 N ATOM 1343 CA SER A 87 11.992 1.105 2.117 1.00 0.86 C ATOM 1344 C SER A 87 11.682 0.690 3.559 1.00 0.86 C ATOM 1345 O SER A 87 12.404 -0.143 4.102 1.00 1.02 O ATOM 1346 CB SER A 87 13.123 2.141 2.089 1.00 0.92 C ATOM 1347 OG SER A 87 14.390 1.495 2.052 1.00 2.54 O ATOM 0 H SER A 87 10.835 2.595 1.205 1.00 0.80 H new ATOM 0 HA SER A 87 12.320 0.208 1.591 1.00 0.86 H new ATOM 0 HB2 SER A 87 13.012 2.786 1.218 1.00 0.92 H new ATOM 0 HB3 SER A 87 13.060 2.781 2.969 1.00 0.92 H new ATOM 0 HG SER A 87 14.682 1.295 2.966 1.00 2.54 H new ATOM 1353 N TYR A 88 10.632 1.210 4.209 1.00 0.79 N ATOM 1354 CA TYR A 88 10.191 0.656 5.502 1.00 0.85 C ATOM 1355 C TYR A 88 9.558 -0.727 5.339 1.00 0.85 C ATOM 1356 O TYR A 88 9.978 -1.656 6.023 1.00 0.91 O ATOM 1357 CB TYR A 88 9.275 1.627 6.246 1.00 0.92 C ATOM 1358 CG TYR A 88 8.562 1.048 7.459 1.00 0.89 C ATOM 1359 CD1 TYR A 88 9.303 0.597 8.571 1.00 1.82 C ATOM 1360 CD2 TYR A 88 7.157 0.967 7.483 1.00 1.95 C ATOM 1361 CE1 TYR A 88 8.642 0.065 9.698 1.00 1.69 C ATOM 1362 CE2 TYR A 88 6.495 0.441 8.608 1.00 2.14 C ATOM 1363 CZ TYR A 88 7.231 -0.016 9.718 1.00 1.05 C ATOM 1364 OH TYR A 88 6.573 -0.515 10.800 1.00 1.24 O ATOM 0 H TYR A 88 10.080 1.998 3.871 1.00 0.79 H new ATOM 0 HA TYR A 88 11.079 0.523 6.120 1.00 0.85 H new ATOM 0 HB2 TYR A 88 9.866 2.484 6.568 1.00 0.92 H new ATOM 0 HB3 TYR A 88 8.525 2.000 5.548 1.00 0.92 H new ATOM 0 HD1 TYR A 88 10.381 0.659 8.560 1.00 1.82 H new ATOM 0 HD2 TYR A 88 6.584 1.310 6.634 1.00 1.95 H new ATOM 0 HE1 TYR A 88 9.214 -0.281 10.546 1.00 1.69 H new ATOM 0 HE2 TYR A 88 5.416 0.388 8.620 1.00 2.14 H new ATOM 0 HH TYR A 88 5.607 -0.492 10.635 1.00 1.24 H new ATOM 1374 N LEU A 89 8.627 -0.907 4.396 1.00 0.87 N ATOM 1375 CA LEU A 89 8.022 -2.220 4.132 1.00 0.92 C ATOM 1376 C LEU A 89 9.075 -3.261 3.709 1.00 0.99 C ATOM 1377 O LEU A 89 9.062 -4.382 4.219 1.00 1.28 O ATOM 1378 CB LEU A 89 6.911 -2.072 3.074 1.00 0.88 C ATOM 1379 CG LEU A 89 5.500 -1.851 3.648 1.00 1.07 C ATOM 1380 CD1 LEU A 89 5.386 -0.665 4.608 1.00 1.95 C ATOM 1381 CD2 LEU A 89 4.525 -1.632 2.487 1.00 1.33 C ATOM 0 H LEU A 89 8.274 -0.158 3.800 1.00 0.87 H new ATOM 0 HA LEU A 89 7.579 -2.591 5.056 1.00 0.92 H new ATOM 0 HB2 LEU A 89 7.158 -1.234 2.422 1.00 0.88 H new ATOM 0 HB3 LEU A 89 6.899 -2.967 2.452 1.00 0.88 H new ATOM 0 HG LEU A 89 5.263 -2.743 4.228 1.00 1.07 H new ATOM 0 HD11 LEU A 89 4.359 -0.583 4.964 1.00 1.95 H new ATOM 0 HD12 LEU A 89 6.053 -0.818 5.456 1.00 1.95 H new ATOM 0 HD13 LEU A 89 5.664 0.252 4.088 1.00 1.95 H new ATOM 0 HD21 LEU A 89 3.521 -1.474 2.880 1.00 1.33 H new ATOM 0 HD22 LEU A 89 4.832 -0.757 1.914 1.00 1.33 H new ATOM 0 HD23 LEU A 89 4.527 -2.509 1.840 1.00 1.33 H new ATOM 1393 N GLU A 90 10.011 -2.886 2.834 1.00 0.83 N ATOM 1394 CA GLU A 90 11.125 -3.733 2.394 1.00 0.84 C ATOM 1395 C GLU A 90 12.112 -4.082 3.529 1.00 0.84 C ATOM 1396 O GLU A 90 12.430 -5.259 3.721 1.00 0.95 O ATOM 1397 CB GLU A 90 11.833 -3.022 1.225 1.00 0.96 C ATOM 1398 CG GLU A 90 12.965 -3.851 0.609 1.00 1.27 C ATOM 1399 CD GLU A 90 13.590 -3.174 -0.619 1.00 1.58 C ATOM 1400 OE1 GLU A 90 13.925 -1.964 -0.575 1.00 2.85 O ATOM 1401 OE2 GLU A 90 13.859 -3.873 -1.623 1.00 2.19 O ATOM 0 H GLU A 90 10.016 -1.963 2.401 1.00 0.83 H new ATOM 0 HA GLU A 90 10.724 -4.693 2.068 1.00 0.84 H new ATOM 0 HB2 GLU A 90 11.100 -2.790 0.452 1.00 0.96 H new ATOM 0 HB3 GLU A 90 12.237 -2.073 1.577 1.00 0.96 H new ATOM 0 HG2 GLU A 90 13.737 -4.019 1.359 1.00 1.27 H new ATOM 0 HG3 GLU A 90 12.580 -4.830 0.323 1.00 1.27 H new ATOM 1408 N GLU A 91 12.606 -3.101 4.292 1.00 0.79 N ATOM 1409 CA GLU A 91 13.635 -3.341 5.320 1.00 0.88 C ATOM 1410 C GLU A 91 13.063 -3.902 6.629 1.00 1.00 C ATOM 1411 O GLU A 91 13.722 -4.695 7.296 1.00 1.13 O ATOM 1412 CB GLU A 91 14.465 -2.076 5.591 1.00 1.05 C ATOM 1413 CG GLU A 91 15.280 -1.645 4.363 1.00 1.39 C ATOM 1414 CD GLU A 91 16.083 -0.367 4.624 1.00 2.10 C ATOM 1415 OE1 GLU A 91 17.207 -0.454 5.177 1.00 3.08 O ATOM 1416 OE2 GLU A 91 15.620 0.741 4.250 1.00 2.87 O ATOM 0 H GLU A 91 12.311 -2.127 4.219 1.00 0.79 H new ATOM 0 HA GLU A 91 14.291 -4.108 4.909 1.00 0.88 H new ATOM 0 HB2 GLU A 91 13.801 -1.264 5.888 1.00 1.05 H new ATOM 0 HB3 GLU A 91 15.140 -2.258 6.428 1.00 1.05 H new ATOM 0 HG2 GLU A 91 15.960 -2.448 4.080 1.00 1.39 H new ATOM 0 HG3 GLU A 91 14.608 -1.484 3.520 1.00 1.39 H new ATOM 1423 N GLU A 92 11.836 -3.546 7.022 1.00 1.08 N ATOM 1424 CA GLU A 92 11.167 -4.194 8.158 1.00 1.31 C ATOM 1425 C GLU A 92 10.805 -5.646 7.812 1.00 1.36 C ATOM 1426 O GLU A 92 11.058 -6.526 8.629 1.00 1.49 O ATOM 1427 CB GLU A 92 9.958 -3.363 8.625 1.00 1.57 C ATOM 1428 CG GLU A 92 9.487 -3.707 10.050 1.00 2.34 C ATOM 1429 CD GLU A 92 10.319 -3.059 11.177 1.00 2.73 C ATOM 1430 OE1 GLU A 92 11.499 -2.672 10.971 1.00 3.28 O ATOM 1431 OE2 GLU A 92 9.767 -2.917 12.297 1.00 3.50 O ATOM 0 H GLU A 92 11.286 -2.814 6.572 1.00 1.08 H new ATOM 0 HA GLU A 92 11.854 -4.237 9.003 1.00 1.31 H new ATOM 0 HB2 GLU A 92 10.217 -2.305 8.582 1.00 1.57 H new ATOM 0 HB3 GLU A 92 9.132 -3.517 7.931 1.00 1.57 H new ATOM 0 HG2 GLU A 92 8.448 -3.397 10.160 1.00 2.34 H new ATOM 0 HG3 GLU A 92 9.511 -4.790 10.175 1.00 2.34 H new ATOM 1438 N THR A 93 10.361 -5.948 6.580 1.00 1.36 N ATOM 1439 CA THR A 93 10.234 -7.344 6.106 1.00 1.49 C ATOM 1440 C THR A 93 11.577 -8.081 6.181 1.00 1.43 C ATOM 1441 O THR A 93 11.620 -9.218 6.650 1.00 1.63 O ATOM 1442 CB THR A 93 9.669 -7.413 4.674 1.00 1.55 C ATOM 1443 OG1 THR A 93 8.339 -6.942 4.664 1.00 2.25 O ATOM 1444 CG2 THR A 93 9.624 -8.822 4.084 1.00 1.52 C ATOM 0 H THR A 93 10.083 -5.248 5.892 1.00 1.36 H new ATOM 0 HA THR A 93 9.528 -7.841 6.771 1.00 1.49 H new ATOM 0 HB THR A 93 10.346 -6.805 4.074 1.00 1.55 H new ATOM 0 HG1 THR A 93 8.331 -5.990 4.432 1.00 2.25 H new ATOM 0 HG21 THR A 93 9.214 -8.781 3.075 1.00 1.52 H new ATOM 0 HG22 THR A 93 10.632 -9.234 4.049 1.00 1.52 H new ATOM 0 HG23 THR A 93 8.994 -9.457 4.706 1.00 1.52 H new ATOM 1452 N ALA A 94 12.688 -7.439 5.801 1.00 1.23 N ATOM 1453 CA ALA A 94 14.019 -8.054 5.835 1.00 1.27 C ATOM 1454 C ALA A 94 14.513 -8.420 7.252 1.00 1.39 C ATOM 1455 O ALA A 94 15.372 -9.300 7.369 1.00 1.59 O ATOM 1456 CB ALA A 94 15.014 -7.123 5.128 1.00 1.24 C ATOM 0 H ALA A 94 12.689 -6.477 5.461 1.00 1.23 H new ATOM 0 HA ALA A 94 13.946 -9.007 5.311 1.00 1.27 H new ATOM 0 HB1 ALA A 94 16.008 -7.570 5.147 1.00 1.24 H new ATOM 0 HB2 ALA A 94 14.702 -6.975 4.094 1.00 1.24 H new ATOM 0 HB3 ALA A 94 15.039 -6.161 5.640 1.00 1.24 H new ATOM 1462 N ARG A 95 13.979 -7.794 8.318 1.00 1.43 N ATOM 1463 CA ARG A 95 14.359 -8.036 9.730 1.00 1.71 C ATOM 1464 C ARG A 95 13.308 -8.787 10.563 1.00 1.96 C ATOM 1465 O ARG A 95 13.678 -9.599 11.412 1.00 2.41 O ATOM 1466 CB ARG A 95 14.719 -6.707 10.416 1.00 1.93 C ATOM 1467 CG ARG A 95 15.955 -6.020 9.805 1.00 2.35 C ATOM 1468 CD ARG A 95 16.516 -4.922 10.719 1.00 2.82 C ATOM 1469 NE ARG A 95 15.509 -3.896 11.048 1.00 3.15 N ATOM 1470 CZ ARG A 95 15.364 -3.291 12.242 1.00 4.26 C ATOM 1471 NH1 ARG A 95 16.177 -3.558 13.276 1.00 5.02 N ATOM 1472 NH2 ARG A 95 14.378 -2.400 12.402 1.00 5.59 N ATOM 0 H ARG A 95 13.251 -7.086 8.222 1.00 1.43 H new ATOM 0 HA ARG A 95 15.225 -8.697 9.687 1.00 1.71 H new ATOM 0 HB2 ARG A 95 13.867 -6.030 10.351 1.00 1.93 H new ATOM 0 HB3 ARG A 95 14.900 -6.890 11.475 1.00 1.93 H new ATOM 0 HG2 ARG A 95 16.728 -6.765 9.618 1.00 2.35 H new ATOM 0 HG3 ARG A 95 15.689 -5.587 8.840 1.00 2.35 H new ATOM 0 HD2 ARG A 95 16.885 -5.373 11.640 1.00 2.82 H new ATOM 0 HD3 ARG A 95 17.368 -4.448 10.232 1.00 2.82 H new ATOM 0 HE ARG A 95 14.866 -3.621 10.306 1.00 3.15 H new ATOM 0 HH11 ARG A 95 16.931 -4.236 13.170 1.00 5.02 H new ATOM 0 HH12 ARG A 95 16.041 -3.082 14.168 1.00 5.02 H new ATOM 0 HH21 ARG A 95 13.751 -2.189 11.626 1.00 5.59 H new ATOM 0 HH22 ARG A 95 14.254 -1.932 13.300 1.00 5.59 H new ATOM 1486 N LEU A 96 12.015 -8.521 10.354 1.00 2.04 N ATOM 1487 CA LEU A 96 10.892 -9.009 11.180 1.00 2.57 C ATOM 1488 C LEU A 96 10.194 -10.250 10.580 1.00 2.70 C ATOM 1489 O LEU A 96 9.208 -10.740 11.128 1.00 3.20 O ATOM 1490 CB LEU A 96 9.888 -7.863 11.472 1.00 4.19 C ATOM 1491 CG LEU A 96 10.199 -6.820 12.549 1.00 5.82 C ATOM 1492 CD1 LEU A 96 10.080 -7.448 13.924 1.00 6.12 C ATOM 1493 CD2 LEU A 96 11.576 -6.222 12.378 1.00 6.28 C ATOM 0 H LEU A 96 11.704 -7.938 9.577 1.00 2.04 H new ATOM 0 HA LEU A 96 11.315 -9.341 12.128 1.00 2.57 H new ATOM 0 HB2 LEU A 96 9.732 -7.325 10.537 1.00 4.19 H new ATOM 0 HB3 LEU A 96 8.937 -8.326 11.736 1.00 4.19 H new ATOM 0 HG LEU A 96 9.473 -6.014 12.445 1.00 5.82 H new ATOM 0 HD11 LEU A 96 10.302 -6.701 14.686 1.00 6.12 H new ATOM 0 HD12 LEU A 96 9.066 -7.821 14.067 1.00 6.12 H new ATOM 0 HD13 LEU A 96 10.786 -8.274 14.009 1.00 6.12 H new ATOM 0 HD21 LEU A 96 11.754 -5.488 13.163 1.00 6.28 H new ATOM 0 HD22 LEU A 96 12.326 -7.011 12.442 1.00 6.28 H new ATOM 0 HD23 LEU A 96 11.643 -5.736 11.405 1.00 6.28 H new ATOM 1505 N GLN A 97 10.714 -10.795 9.475 1.00 3.46 N ATOM 1506 CA GLN A 97 10.284 -12.071 8.881 1.00 5.08 C ATOM 1507 C GLN A 97 10.373 -13.285 9.832 1.00 5.79 C ATOM 1508 O GLN A 97 9.664 -14.274 9.629 1.00 7.22 O ATOM 1509 CB GLN A 97 11.103 -12.329 7.602 1.00 6.22 C ATOM 1510 CG GLN A 97 12.629 -12.150 7.749 1.00 5.43 C ATOM 1511 CD GLN A 97 13.407 -12.561 6.502 1.00 6.67 C ATOM 1512 OE1 GLN A 97 12.864 -12.849 5.441 1.00 8.13 O ATOM 1513 NE2 GLN A 97 14.712 -12.623 6.583 1.00 6.62 N ATOM 0 H GLN A 97 11.468 -10.349 8.952 1.00 3.46 H new ATOM 0 HA GLN A 97 9.223 -11.967 8.653 1.00 5.08 H new ATOM 0 HB2 GLN A 97 10.904 -13.345 7.262 1.00 6.22 H new ATOM 0 HB3 GLN A 97 10.748 -11.656 6.821 1.00 6.22 H new ATOM 0 HG2 GLN A 97 12.845 -11.106 7.976 1.00 5.43 H new ATOM 0 HG3 GLN A 97 12.977 -12.740 8.597 1.00 5.43 H new ATOM 0 HE21 GLN A 97 15.180 -12.387 7.458 1.00 6.62 H new ATOM 0 HE22 GLN A 97 15.260 -12.907 5.771 1.00 6.62 H new ATOM 1522 N THR A 98 11.247 -13.221 10.847 1.00 5.47 N ATOM 1523 CA THR A 98 11.409 -14.186 11.955 1.00 6.82 C ATOM 1524 C THR A 98 11.265 -15.675 11.549 1.00 8.51 C ATOM 1525 O THR A 98 10.457 -16.398 12.138 1.00 9.58 O ATOM 1526 CB THR A 98 10.501 -13.782 13.142 1.00 7.18 C ATOM 1527 OG1 THR A 98 10.616 -12.399 13.408 1.00 6.48 O ATOM 1528 CG2 THR A 98 10.863 -14.446 14.472 1.00 8.10 C ATOM 0 H THR A 98 11.904 -12.445 10.925 1.00 5.47 H new ATOM 0 HA THR A 98 12.448 -14.124 12.277 1.00 6.82 H new ATOM 0 HB THR A 98 9.507 -14.094 12.822 1.00 7.18 H new ATOM 0 HG1 THR A 98 10.150 -11.892 12.711 1.00 6.48 H new ATOM 0 HG21 THR A 98 10.176 -14.106 15.247 1.00 8.10 H new ATOM 0 HG22 THR A 98 10.788 -15.529 14.370 1.00 8.10 H new ATOM 0 HG23 THR A 98 11.883 -14.177 14.747 1.00 8.10 H new ATOM 1536 N PRO A 99 12.029 -16.194 10.559 1.00 9.34 N ATOM 1537 CA PRO A 99 11.958 -17.587 10.087 1.00 11.31 C ATOM 1538 C PRO A 99 12.706 -18.573 11.014 1.00 12.88 C ATOM 1539 O PRO A 99 13.301 -19.554 10.567 1.00 14.46 O ATOM 1540 CB PRO A 99 12.533 -17.536 8.666 1.00 11.81 C ATOM 1541 CG PRO A 99 13.655 -16.515 8.836 1.00 10.90 C ATOM 1542 CD PRO A 99 13.004 -15.476 9.746 1.00 9.02 C ATOM 0 HA PRO A 99 10.938 -17.971 10.094 1.00 11.31 H new ATOM 0 HB2 PRO A 99 12.906 -18.506 8.338 1.00 11.81 H new ATOM 0 HB3 PRO A 99 11.792 -17.215 7.934 1.00 11.81 H new ATOM 0 HG2 PRO A 99 14.542 -16.956 9.290 1.00 10.90 H new ATOM 0 HG3 PRO A 99 13.964 -16.086 7.883 1.00 10.90 H new ATOM 0 HD2 PRO A 99 13.749 -14.988 10.374 1.00 9.02 H new ATOM 0 HD3 PRO A 99 12.521 -14.695 9.160 1.00 9.02 H new ATOM 1550 N VAL A 100 12.730 -18.297 12.321 1.00 12.64 N ATOM 1551 CA VAL A 100 13.538 -18.986 13.349 1.00 14.02 C ATOM 1552 C VAL A 100 12.850 -20.256 13.901 1.00 15.68 C ATOM 1553 O VAL A 100 13.106 -20.708 15.019 1.00 16.09 O ATOM 1554 CB VAL A 100 13.957 -17.937 14.408 1.00 13.06 C ATOM 1555 CG1 VAL A 100 12.822 -17.564 15.369 1.00 13.24 C ATOM 1556 CG2 VAL A 100 15.209 -18.331 15.190 1.00 13.67 C ATOM 0 H VAL A 100 12.160 -17.550 12.718 1.00 12.64 H new ATOM 0 HA VAL A 100 14.450 -19.394 12.912 1.00 14.02 H new ATOM 0 HB VAL A 100 14.202 -17.049 13.825 1.00 13.06 H new ATOM 0 HG11 VAL A 100 13.180 -16.825 16.086 1.00 13.24 H new ATOM 0 HG12 VAL A 100 11.989 -17.147 14.804 1.00 13.24 H new ATOM 0 HG13 VAL A 100 12.489 -18.455 15.902 1.00 13.24 H new ATOM 0 HG21 VAL A 100 15.446 -17.552 15.914 1.00 13.67 H new ATOM 0 HG22 VAL A 100 15.031 -19.271 15.713 1.00 13.67 H new ATOM 0 HG23 VAL A 100 16.045 -18.452 14.501 1.00 13.67 H new ATOM 1566 N THR A 101 11.907 -20.806 13.127 1.00 16.86 N ATOM 1567 CA THR A 101 10.919 -21.832 13.525 1.00 18.46 C ATOM 1568 C THR A 101 10.065 -21.425 14.747 1.00 18.72 C ATOM 1569 O THR A 101 9.476 -22.270 15.418 1.00 19.66 O ATOM 1570 CB THR A 101 11.555 -23.238 13.648 1.00 20.07 C ATOM 1571 OG1 THR A 101 12.593 -23.436 12.705 1.00 20.77 O ATOM 1572 CG2 THR A 101 10.563 -24.372 13.369 1.00 20.77 C ATOM 0 H THR A 101 11.802 -20.536 12.149 1.00 16.86 H new ATOM 0 HA THR A 101 10.202 -21.899 12.706 1.00 18.46 H new ATOM 0 HB THR A 101 11.916 -23.269 14.676 1.00 20.07 H new ATOM 0 HG1 THR A 101 12.969 -24.334 12.816 1.00 20.77 H new ATOM 0 HG21 THR A 101 11.069 -25.332 13.471 1.00 20.77 H new ATOM 0 HG22 THR A 101 9.740 -24.319 14.081 1.00 20.77 H new ATOM 0 HG23 THR A 101 10.173 -24.273 12.356 1.00 20.77 H new ATOM 1580 N ASN A 102 9.994 -20.123 15.057 1.00 18.05 N ATOM 1581 CA ASN A 102 9.213 -19.555 16.159 1.00 18.34 C ATOM 1582 C ASN A 102 8.904 -18.053 15.934 1.00 17.89 C ATOM 1583 O ASN A 102 9.562 -17.166 16.488 1.00 17.61 O ATOM 1584 CB ASN A 102 9.964 -19.794 17.482 1.00 18.93 C ATOM 1585 CG ASN A 102 9.180 -19.251 18.663 1.00 19.02 C ATOM 1586 OD1 ASN A 102 7.958 -19.307 18.707 1.00 19.20 O ATOM 1587 ND2 ASN A 102 9.855 -18.693 19.634 1.00 19.08 N ATOM 0 H ASN A 102 10.498 -19.413 14.526 1.00 18.05 H new ATOM 0 HA ASN A 102 8.246 -20.057 16.204 1.00 18.34 H new ATOM 0 HB2 ASN A 102 10.138 -20.862 17.617 1.00 18.93 H new ATOM 0 HB3 ASN A 102 10.942 -19.315 17.440 1.00 18.93 H new ATOM 0 HD21 ASN A 102 9.363 -18.300 20.437 1.00 19.08 H new ATOM 0 HD22 ASN A 102 10.873 -18.651 19.589 1.00 19.08 H new ATOM 1594 N ARG A 103 7.893 -17.765 15.111 1.00 18.07 N ATOM 1595 CA ARG A 103 7.358 -16.412 14.856 1.00 17.98 C ATOM 1596 C ARG A 103 6.146 -16.073 15.733 1.00 18.22 C ATOM 1597 O ARG A 103 5.872 -14.894 15.937 1.00 17.80 O ATOM 1598 CB ARG A 103 7.027 -16.316 13.354 1.00 18.47 C ATOM 1599 CG ARG A 103 6.528 -14.927 12.928 1.00 18.31 C ATOM 1600 CD ARG A 103 6.441 -14.809 11.404 1.00 19.17 C ATOM 1601 NE ARG A 103 5.821 -13.534 11.020 1.00 18.92 N ATOM 1602 CZ ARG A 103 5.583 -13.126 9.761 1.00 19.69 C ATOM 1603 NH1 ARG A 103 5.977 -13.848 8.700 1.00 20.76 N ATOM 1604 NH2 ARG A 103 4.932 -11.972 9.567 1.00 19.62 N ATOM 0 H ARG A 103 7.403 -18.487 14.583 1.00 18.07 H new ATOM 0 HA ARG A 103 8.111 -15.671 15.126 1.00 17.98 H new ATOM 0 HB2 ARG A 103 7.917 -16.567 12.776 1.00 18.47 H new ATOM 0 HB3 ARG A 103 6.267 -17.058 13.109 1.00 18.47 H new ATOM 0 HG2 ARG A 103 5.547 -14.741 13.366 1.00 18.31 H new ATOM 0 HG3 ARG A 103 7.201 -14.162 13.316 1.00 18.31 H new ATOM 0 HD2 ARG A 103 7.439 -14.880 10.971 1.00 19.17 H new ATOM 0 HD3 ARG A 103 5.859 -15.638 11.002 1.00 19.17 H new ATOM 0 HE ARG A 103 5.547 -12.903 11.774 1.00 18.92 H new ATOM 0 HH11 ARG A 103 6.470 -14.730 8.838 1.00 20.76 H new ATOM 0 HH12 ARG A 103 5.783 -13.514 7.756 1.00 20.76 H new ATOM 0 HH21 ARG A 103 4.626 -11.419 10.367 1.00 19.62 H new ATOM 0 HH22 ARG A 103 4.743 -11.646 8.619 1.00 19.62 H new ATOM 1618 N GLY A 104 5.452 -17.072 16.279 1.00 19.13 N ATOM 1619 CA GLY A 104 4.276 -16.890 17.134 1.00 19.68 C ATOM 1620 C GLY A 104 4.565 -16.165 18.456 1.00 19.67 C ATOM 1621 O GLY A 104 5.719 -16.033 18.883 1.00 19.77 O ATOM 0 H GLY A 104 5.696 -18.052 16.137 1.00 19.13 H new ATOM 0 HA2 GLY A 104 3.523 -16.328 16.582 1.00 19.68 H new ATOM 0 HA3 GLY A 104 3.847 -17.867 17.355 1.00 19.68 H new ATOM 1625 N ILE A 105 3.502 -15.700 19.114 1.00 19.79 N ATOM 1626 CA ILE A 105 3.544 -14.940 20.372 1.00 19.99 C ATOM 1627 C ILE A 105 2.768 -15.721 21.456 1.00 21.51 C ATOM 1628 O ILE A 105 1.584 -16.010 21.243 1.00 21.85 O ATOM 1629 CB ILE A 105 2.994 -13.509 20.151 1.00 18.86 C ATOM 1630 CG1 ILE A 105 3.877 -12.749 19.130 1.00 18.09 C ATOM 1631 CG2 ILE A 105 2.943 -12.744 21.487 1.00 18.69 C ATOM 1632 CD1 ILE A 105 3.372 -11.350 18.759 1.00 17.10 C ATOM 0 H ILE A 105 2.551 -15.846 18.776 1.00 19.79 H new ATOM 0 HA ILE A 105 4.572 -14.826 20.716 1.00 19.99 H new ATOM 0 HB ILE A 105 1.982 -13.581 19.753 1.00 18.86 H new ATOM 0 HG12 ILE A 105 4.884 -12.660 19.537 1.00 18.09 H new ATOM 0 HG13 ILE A 105 3.952 -13.346 18.221 1.00 18.09 H new ATOM 0 HG21 ILE A 105 2.555 -11.740 21.317 1.00 18.69 H new ATOM 0 HG22 ILE A 105 2.292 -13.272 22.184 1.00 18.69 H new ATOM 0 HG23 ILE A 105 3.947 -12.678 21.907 1.00 18.69 H new ATOM 0 HD11 ILE A 105 4.054 -10.896 18.040 1.00 17.10 H new ATOM 0 HD12 ILE A 105 2.378 -11.427 18.318 1.00 17.10 H new ATOM 0 HD13 ILE A 105 3.325 -10.731 19.655 1.00 17.10 H new ATOM 1644 N PRO A 106 3.385 -16.069 22.604 1.00 22.62 N ATOM 1645 CA PRO A 106 2.785 -16.930 23.629 1.00 24.30 C ATOM 1646 C PRO A 106 1.786 -16.190 24.525 1.00 24.38 C ATOM 1647 O PRO A 106 2.183 -15.239 25.240 1.00 24.00 O ATOM 1648 CB PRO A 106 3.972 -17.520 24.396 1.00 25.49 C ATOM 1649 CG PRO A 106 5.038 -16.430 24.305 1.00 24.37 C ATOM 1650 CD PRO A 106 4.784 -15.811 22.933 1.00 22.66 C ATOM 1651 OXT PRO A 106 0.601 -16.516 24.541 1.00 24.95 O ATOM 0 HA PRO A 106 2.174 -17.716 23.185 1.00 24.30 H new ATOM 0 HB2 PRO A 106 3.711 -17.740 25.431 1.00 25.49 H new ATOM 0 HB3 PRO A 106 4.314 -18.453 23.949 1.00 25.49 H new ATOM 0 HG2 PRO A 106 4.933 -15.696 25.104 1.00 24.37 H new ATOM 0 HG3 PRO A 106 6.044 -16.843 24.381 1.00 24.37 H new ATOM 0 HD2 PRO A 106 4.986 -14.740 22.949 1.00 22.66 H new ATOM 0 HD3 PRO A 106 5.444 -16.248 22.184 1.00 22.66 H new TER 1659 PRO A 106 HETATM 1660 FE HEC A 107 -3.831 0.123 2.298 1.00 0.98 FE HETATM 1661 CHA HEC A 107 -4.516 -2.941 0.804 1.00 0.92 C HETATM 1662 CHB HEC A 107 -0.519 -0.122 1.279 1.00 1.14 C HETATM 1663 CHC HEC A 107 -3.201 3.215 3.721 1.00 1.16 C HETATM 1664 CHD HEC A 107 -7.168 0.342 3.344 1.00 1.16 C HETATM 1665 NA HEC A 107 -2.729 -1.262 1.209 1.00 0.96 N HETATM 1666 C1A HEC A 107 -3.222 -2.434 0.704 1.00 0.95 C HETATM 1667 C2A HEC A 107 -2.162 -3.064 -0.051 1.00 1.04 C HETATM 1668 C3A HEC A 107 -1.025 -2.311 0.146 1.00 1.09 C HETATM 1669 C4A HEC A 107 -1.400 -1.143 0.911 1.00 1.05 C HETATM 1670 CMA HEC A 107 0.356 -2.644 -0.372 1.00 1.22 C HETATM 1671 CAA HEC A 107 -2.304 -4.249 -0.991 1.00 1.15 C HETATM 1672 CBA HEC A 107 -2.208 -5.622 -0.304 1.00 1.54 C HETATM 1673 CGA HEC A 107 -2.152 -6.782 -1.299 1.00 1.81 C HETATM 1674 O1A HEC A 107 -2.928 -7.744 -1.115 1.00 2.54 O HETATM 1675 O2A HEC A 107 -1.327 -6.727 -2.233 1.00 2.69 O HETATM 1676 NB HEC A 107 -2.164 1.349 2.437 1.00 1.08 N HETATM 1677 C1B HEC A 107 -0.909 1.018 2.002 1.00 1.14 C HETATM 1678 C2B HEC A 107 -0.011 2.058 2.457 1.00 1.27 C HETATM 1679 C3B HEC A 107 -0.765 2.995 3.139 1.00 1.23 C HETATM 1680 C4B HEC A 107 -2.140 2.550 3.094 1.00 1.15 C HETATM 1681 CMB HEC A 107 1.498 2.066 2.317 1.00 1.50 C HETATM 1682 CAB HEC A 107 -0.249 4.024 4.130 1.00 1.37 C HETATM 1683 CBB HEC A 107 0.491 5.217 3.513 1.00 1.71 C HETATM 1684 NC HEC A 107 -4.974 1.518 3.359 1.00 1.05 N HETATM 1685 C1C HEC A 107 -4.488 2.698 3.831 1.00 1.12 C HETATM 1686 C2C HEC A 107 -5.554 3.369 4.525 1.00 1.21 C HETATM 1687 C3C HEC A 107 -6.662 2.550 4.459 1.00 1.23 C HETATM 1688 C4C HEC A 107 -6.298 1.390 3.675 1.00 1.12 C HETATM 1689 CMC HEC A 107 -5.428 4.700 5.240 1.00 1.34 C HETATM 1690 CAC HEC A 107 -7.930 2.708 5.269 1.00 1.34 C HETATM 1691 CBC HEC A 107 -8.792 3.860 4.756 1.00 1.62 C HETATM 1692 ND HEC A 107 -5.528 -1.106 2.153 1.00 0.92 N HETATM 1693 C1D HEC A 107 -6.775 -0.782 2.610 1.00 1.06 C HETATM 1694 C2D HEC A 107 -7.679 -1.807 2.143 1.00 1.21 C HETATM 1695 C3D HEC A 107 -6.949 -2.670 1.356 1.00 1.11 C HETATM 1696 C4D HEC A 107 -5.560 -2.291 1.475 1.00 0.91 C HETATM 1697 CMD HEC A 107 -9.186 -1.795 2.252 1.00 1.68 C HETATM 1698 CAD HEC A 107 -7.504 -3.472 0.198 1.00 1.54 C HETATM 1699 CBD HEC A 107 -7.539 -2.631 -1.096 1.00 2.76 C HETATM 1700 CGD HEC A 107 -6.173 -2.063 -1.473 1.00 3.73 C HETATM 1701 O1D HEC A 107 -5.394 -2.812 -2.090 1.00 4.71 O HETATM 1702 O2D HEC A 107 -5.874 -0.920 -1.058 1.00 4.23 O HETATM 0 HMD3 HEC A 107 -9.474 -1.742 3.302 1.00 1.68 H new HETATM 0 HMD2 HEC A 107 -9.582 -0.928 1.723 1.00 1.68 H new HETATM 0 HMD1 HEC A 107 -9.590 -2.706 1.810 1.00 1.68 H new HETATM 0 HMC3 HEC A 107 -4.680 4.620 6.029 1.00 1.34 H new HETATM 0 HMC2 HEC A 107 -5.124 5.468 4.529 1.00 1.34 H new HETATM 0 HMC1 HEC A 107 -6.389 4.971 5.677 1.00 1.34 H new HETATM 0 HMB3 HEC A 107 1.916 1.203 2.835 1.00 1.50 H new HETATM 0 HMB2 HEC A 107 1.766 2.021 1.261 1.00 1.50 H new HETATM 0 HMB1 HEC A 107 1.899 2.980 2.754 1.00 1.50 H new HETATM 0 HMA3 HEC A 107 0.674 -3.605 0.033 1.00 1.22 H new HETATM 0 HMA2 HEC A 107 0.333 -2.698 -1.460 1.00 1.22 H new HETATM 0 HMA1 HEC A 107 1.057 -1.869 -0.062 1.00 1.22 H new HETATM 0 HBD2 HEC A 107 -7.909 -3.249 -1.915 1.00 2.76 H new HETATM 0 HBD1 HEC A 107 -8.246 -1.811 -0.971 1.00 2.76 H new HETATM 0 HBC3 HEC A 107 -8.229 4.791 4.818 1.00 1.62 H new HETATM 0 HBC2 HEC A 107 -9.070 3.672 3.719 1.00 1.62 H new HETATM 0 HBC1 HEC A 107 -9.693 3.940 5.365 1.00 1.62 H new HETATM 0 HBB3 HEC A 107 1.359 4.860 2.959 1.00 1.71 H new HETATM 0 HBB2 HEC A 107 -0.177 5.749 2.836 1.00 1.71 H new HETATM 0 HBB1 HEC A 107 0.818 5.891 4.305 1.00 1.71 H new HETATM 0 HBA2 HEC A 107 -1.318 -5.646 0.325 1.00 1.54 H new HETATM 0 HBA1 HEC A 107 -3.067 -5.755 0.353 1.00 1.54 H new HETATM 0 HAD2 HEC A 107 -6.892 -4.361 0.041 1.00 1.54 H new HETATM 0 HAD1 HEC A 107 -8.510 -3.816 0.439 1.00 1.54 H new HETATM 0 HAA2 HEC A 107 -3.264 -4.179 -1.502 1.00 1.15 H new HETATM 0 HAA1 HEC A 107 -1.530 -4.185 -1.756 1.00 1.15 H new HETATM 0 HHD HEC A 107 -8.204 0.406 3.676 1.00 1.16 H new HETATM 0 HHC HEC A 107 -3.007 4.198 4.149 1.00 1.16 H new HETATM 0 HHB HEC A 107 0.528 -0.215 0.989 1.00 1.14 H new HETATM 0 HHA HEC A 107 -4.729 -3.900 0.332 1.00 0.92 H new HETATM 0 H2D HEC A 107 -6.473 -0.672 -0.323 1.00 4.23 H new HETATM 0 H2A HEC A 107 -0.818 -7.564 -2.269 1.00 2.69 H new