USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=19 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 NoAdj-H: A 107 HEC H2D : A 107 HEC O2D : A 107 HEC CGD :(short bond) USER MOD NoAdj-H: A 107 HEC H2A : A 107 HEC O2A : A 107 HEC CGA :(short bond) USER MOD Single : A 1 SER N :NH3+ -121:sc= 1.04 (180deg=-0.071) USER MOD Single : A 1 SER OG : rot 81:sc= 1.28 USER MOD Single : A 4 GLN : amide:sc= -0.0112 X(o=-0.011,f=-0.49) USER MOD Single : A 8 THR OG1 : rot -76:sc= 1.29 USER MOD Single : A 11 SER OG : rot 110:sc= 0.0403 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 152:sc= 1.23 USER MOD Single : A 18 ASN : amide:sc= 1.12 K(o=1.1,f=-5.3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.482 X(o=0.48,f=0) USER MOD Single : A 34 THR OG1 : rot 150:sc= 0.0494 USER MOD Single : A 36 GLN : amide:sc=-0.00303 K(o=-0.003,f=-0.73) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 52 MET CE :methyl -171:sc= 0 (180deg=-0.0281) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -164:sc=-0.00545 (180deg=-0.27) USER MOD Single : A 66 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.1) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0579 K(o=-0.058,f=-1.3!) USER MOD Single : A 72 MET CE :methyl -179:sc= -0.178 (180deg=-0.184) USER MOD Single : A 74 ASN : amide:sc= 0.789 K(o=0.79,f=-0.011) USER MOD Single : A 75 MET CE :methyl -175:sc= 0 (180deg=-0.0222) USER MOD Single : A 83 SER OG : rot -90:sc= 1.25 USER MOD Single : A 87 SER OG : rot 78:sc= 1.2 USER MOD Single : A 88 TYR OH : rot -6:sc= 1.29 USER MOD Single : A 93 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 131:sc= 1.27 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.347 K(o=0.35,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.438 2.978 7.276 1.00 3.62 N ATOM 2 CA SER A 1 13.280 4.326 6.689 1.00 2.91 C ATOM 3 C SER A 1 11.910 4.575 6.039 1.00 2.23 C ATOM 4 O SER A 1 11.717 4.267 4.864 1.00 3.47 O ATOM 5 CB SER A 1 14.366 4.606 5.645 1.00 3.40 C ATOM 6 OG SER A 1 15.660 4.341 6.142 1.00 4.38 O ATOM 0 H1 SER A 1 13.648 3.064 8.291 1.00 3.62 H new ATOM 0 H2 SER A 1 12.558 2.439 7.149 1.00 3.62 H new ATOM 0 H3 SER A 1 14.219 2.482 6.801 1.00 3.62 H new ATOM 0 HA SER A 1 13.371 5.005 7.537 1.00 2.91 H new ATOM 0 HB2 SER A 1 14.185 3.994 4.761 1.00 3.40 H new ATOM 0 HB3 SER A 1 14.305 5.648 5.330 1.00 3.40 H new ATOM 0 HG SER A 1 15.839 3.379 6.092 1.00 4.38 H new ATOM 12 N GLY A 2 10.982 5.179 6.782 1.00 1.33 N ATOM 13 CA GLY A 2 9.594 5.428 6.368 1.00 0.79 C ATOM 14 C GLY A 2 8.552 5.104 7.457 1.00 0.64 C ATOM 15 O GLY A 2 7.371 5.413 7.295 1.00 0.73 O ATOM 0 H GLY A 2 11.179 5.522 7.722 1.00 1.33 H new ATOM 0 HA2 GLY A 2 9.493 6.475 6.081 1.00 0.79 H new ATOM 0 HA3 GLY A 2 9.377 4.832 5.482 1.00 0.79 H new ATOM 19 N GLU A 3 8.970 4.499 8.580 1.00 0.67 N ATOM 20 CA GLU A 3 8.088 4.089 9.692 1.00 0.72 C ATOM 21 C GLU A 3 7.275 5.263 10.276 1.00 0.71 C ATOM 22 O GLU A 3 6.110 5.081 10.633 1.00 0.72 O ATOM 23 CB GLU A 3 8.932 3.419 10.794 1.00 0.97 C ATOM 24 CG GLU A 3 8.095 2.743 11.897 1.00 1.50 C ATOM 25 CD GLU A 3 8.934 2.372 13.129 1.00 2.21 C ATOM 26 OE1 GLU A 3 9.799 1.470 13.068 1.00 2.95 O ATOM 27 OE2 GLU A 3 8.724 2.996 14.200 1.00 3.29 O ATOM 0 H GLU A 3 9.951 4.275 8.747 1.00 0.67 H new ATOM 0 HA GLU A 3 7.363 3.380 9.292 1.00 0.72 H new ATOM 0 HB2 GLU A 3 9.583 2.673 10.337 1.00 0.97 H new ATOM 0 HB3 GLU A 3 9.578 4.169 11.250 1.00 0.97 H new ATOM 0 HG2 GLU A 3 7.289 3.412 12.199 1.00 1.50 H new ATOM 0 HG3 GLU A 3 7.629 1.844 11.495 1.00 1.50 H new ATOM 34 N GLN A 4 7.834 6.481 10.322 1.00 0.78 N ATOM 35 CA GLN A 4 7.112 7.663 10.809 1.00 0.87 C ATOM 36 C GLN A 4 5.951 8.038 9.876 1.00 0.86 C ATOM 37 O GLN A 4 4.875 8.420 10.340 1.00 0.99 O ATOM 38 CB GLN A 4 8.097 8.836 10.964 1.00 1.05 C ATOM 39 CG GLN A 4 7.473 10.106 11.569 1.00 2.53 C ATOM 40 CD GLN A 4 7.001 9.947 13.013 1.00 3.31 C ATOM 41 OE1 GLN A 4 7.376 9.033 13.736 1.00 3.58 O ATOM 42 NE2 GLN A 4 6.202 10.861 13.503 1.00 4.95 N ATOM 0 H GLN A 4 8.791 6.673 10.025 1.00 0.78 H new ATOM 0 HA GLN A 4 6.677 7.430 11.781 1.00 0.87 H new ATOM 0 HB2 GLN A 4 8.928 8.518 11.593 1.00 1.05 H new ATOM 0 HB3 GLN A 4 8.512 9.079 9.986 1.00 1.05 H new ATOM 0 HG2 GLN A 4 8.205 10.913 11.525 1.00 2.53 H new ATOM 0 HG3 GLN A 4 6.626 10.410 10.953 1.00 2.53 H new ATOM 0 HE21 GLN A 4 5.882 11.628 12.912 1.00 4.95 H new ATOM 0 HE22 GLN A 4 5.900 10.806 14.476 1.00 4.95 H new ATOM 51 N ILE A 5 6.136 7.884 8.560 1.00 0.75 N ATOM 52 CA ILE A 5 5.076 8.131 7.573 1.00 0.73 C ATOM 53 C ILE A 5 3.996 7.044 7.688 1.00 0.71 C ATOM 54 O ILE A 5 2.808 7.365 7.661 1.00 0.83 O ATOM 55 CB ILE A 5 5.652 8.274 6.143 1.00 0.74 C ATOM 56 CG1 ILE A 5 6.795 9.319 6.104 1.00 0.77 C ATOM 57 CG2 ILE A 5 4.524 8.708 5.183 1.00 0.82 C ATOM 58 CD1 ILE A 5 7.396 9.535 4.711 1.00 0.94 C ATOM 0 H ILE A 5 7.021 7.586 8.149 1.00 0.75 H new ATOM 0 HA ILE A 5 4.599 9.087 7.789 1.00 0.73 H new ATOM 0 HB ILE A 5 6.059 7.311 5.835 1.00 0.74 H new ATOM 0 HG12 ILE A 5 6.416 10.271 6.476 1.00 0.77 H new ATOM 0 HG13 ILE A 5 7.586 9.003 6.784 1.00 0.77 H new ATOM 0 HG21 ILE A 5 4.924 8.810 4.174 1.00 0.82 H new ATOM 0 HG22 ILE A 5 3.735 7.956 5.186 1.00 0.82 H new ATOM 0 HG23 ILE A 5 4.116 9.664 5.510 1.00 0.82 H new ATOM 0 HD11 ILE A 5 8.189 10.281 4.768 1.00 0.94 H new ATOM 0 HD12 ILE A 5 7.807 8.595 4.343 1.00 0.94 H new ATOM 0 HD13 ILE A 5 6.620 9.883 4.030 1.00 0.94 H new ATOM 70 N PHE A 6 4.362 5.781 7.947 1.00 0.60 N ATOM 71 CA PHE A 6 3.381 4.734 8.259 1.00 0.57 C ATOM 72 C PHE A 6 2.572 5.055 9.535 1.00 0.63 C ATOM 73 O PHE A 6 1.341 5.055 9.495 1.00 0.72 O ATOM 74 CB PHE A 6 4.066 3.359 8.349 1.00 0.57 C ATOM 75 CG PHE A 6 3.093 2.238 8.672 1.00 0.71 C ATOM 76 CD1 PHE A 6 2.346 1.635 7.641 1.00 1.50 C ATOM 77 CD2 PHE A 6 2.882 1.841 10.007 1.00 1.34 C ATOM 78 CE1 PHE A 6 1.369 0.671 7.949 1.00 1.66 C ATOM 79 CE2 PHE A 6 1.913 0.869 10.313 1.00 1.53 C ATOM 80 CZ PHE A 6 1.150 0.289 9.283 1.00 1.24 C ATOM 0 H PHE A 6 5.330 5.460 7.946 1.00 0.60 H new ATOM 0 HA PHE A 6 2.663 4.701 7.440 1.00 0.57 H new ATOM 0 HB2 PHE A 6 4.562 3.142 7.403 1.00 0.57 H new ATOM 0 HB3 PHE A 6 4.841 3.393 9.115 1.00 0.57 H new ATOM 0 HD1 PHE A 6 2.524 1.913 6.613 1.00 1.50 H new ATOM 0 HD2 PHE A 6 3.467 2.285 10.799 1.00 1.34 H new ATOM 0 HE1 PHE A 6 0.786 0.223 7.158 1.00 1.66 H new ATOM 0 HE2 PHE A 6 1.755 0.568 11.338 1.00 1.53 H new ATOM 0 HZ PHE A 6 0.397 -0.449 9.518 1.00 1.24 H new ATOM 90 N ARG A 7 3.250 5.404 10.640 1.00 0.66 N ATOM 91 CA ARG A 7 2.654 5.746 11.953 1.00 0.78 C ATOM 92 C ARG A 7 1.764 6.997 11.924 1.00 0.86 C ATOM 93 O ARG A 7 0.907 7.161 12.794 1.00 1.02 O ATOM 94 CB ARG A 7 3.813 5.875 12.960 1.00 0.86 C ATOM 95 CG ARG A 7 3.434 6.068 14.439 1.00 1.09 C ATOM 96 CD ARG A 7 2.536 4.961 15.022 1.00 2.44 C ATOM 97 NE ARG A 7 1.143 5.408 15.176 1.00 3.90 N ATOM 98 CZ ARG A 7 0.073 4.620 15.384 1.00 5.35 C ATOM 99 NH1 ARG A 7 0.178 3.285 15.439 1.00 5.73 N ATOM 100 NH2 ARG A 7 -1.130 5.188 15.541 1.00 6.83 N ATOM 0 H ARG A 7 4.268 5.460 10.650 1.00 0.66 H new ATOM 0 HA ARG A 7 1.970 4.952 12.252 1.00 0.78 H new ATOM 0 HB2 ARG A 7 4.431 4.980 12.882 1.00 0.86 H new ATOM 0 HB3 ARG A 7 4.434 6.718 12.656 1.00 0.86 H new ATOM 0 HG2 ARG A 7 4.348 6.125 15.030 1.00 1.09 H new ATOM 0 HG3 ARG A 7 2.924 7.025 14.548 1.00 1.09 H new ATOM 0 HD2 ARG A 7 2.567 4.088 14.370 1.00 2.44 H new ATOM 0 HD3 ARG A 7 2.926 4.650 15.991 1.00 2.44 H new ATOM 0 HE ARG A 7 0.972 6.412 15.120 1.00 3.90 H new ATOM 0 HH11 ARG A 7 1.088 2.840 15.322 1.00 5.73 H new ATOM 0 HH12 ARG A 7 -0.652 2.714 15.598 1.00 5.73 H new ATOM 0 HH21 ARG A 7 -1.224 6.203 15.502 1.00 6.83 H new ATOM 0 HH22 ARG A 7 -1.952 4.606 15.700 1.00 6.83 H new ATOM 114 N THR A 8 1.943 7.872 10.933 1.00 0.85 N ATOM 115 CA THR A 8 1.149 9.105 10.780 1.00 0.99 C ATOM 116 C THR A 8 0.094 9.055 9.672 1.00 1.02 C ATOM 117 O THR A 8 -0.947 9.698 9.826 1.00 1.22 O ATOM 118 CB THR A 8 2.040 10.351 10.650 1.00 1.06 C ATOM 119 OG1 THR A 8 2.987 10.209 9.616 1.00 1.16 O ATOM 120 CG2 THR A 8 2.820 10.618 11.935 1.00 1.17 C ATOM 0 H THR A 8 2.647 7.749 10.205 1.00 0.85 H new ATOM 0 HA THR A 8 0.584 9.182 11.709 1.00 0.99 H new ATOM 0 HB THR A 8 1.363 11.177 10.434 1.00 1.06 H new ATOM 0 HG1 THR A 8 3.712 9.621 9.915 1.00 1.16 H new ATOM 0 HG21 THR A 8 3.439 11.506 11.807 1.00 1.17 H new ATOM 0 HG22 THR A 8 2.123 10.777 12.757 1.00 1.17 H new ATOM 0 HG23 THR A 8 3.456 9.762 12.159 1.00 1.17 H new ATOM 128 N ARG A 9 0.290 8.287 8.586 1.00 0.91 N ATOM 129 CA ARG A 9 -0.648 8.220 7.441 1.00 1.03 C ATOM 130 C ARG A 9 -1.396 6.884 7.289 1.00 0.92 C ATOM 131 O ARG A 9 -2.498 6.882 6.742 1.00 1.09 O ATOM 132 CB ARG A 9 0.082 8.541 6.125 1.00 1.34 C ATOM 133 CG ARG A 9 0.770 9.915 6.142 1.00 1.18 C ATOM 134 CD ARG A 9 1.178 10.321 4.721 1.00 1.71 C ATOM 135 NE ARG A 9 1.941 11.577 4.701 1.00 1.88 N ATOM 136 CZ ARG A 9 1.444 12.814 4.886 1.00 1.98 C ATOM 137 NH1 ARG A 9 0.147 13.022 5.157 1.00 2.32 N ATOM 138 NH2 ARG A 9 2.267 13.869 4.800 1.00 2.98 N ATOM 0 H ARG A 9 1.109 7.689 8.473 1.00 0.91 H new ATOM 0 HA ARG A 9 -1.407 8.970 7.662 1.00 1.03 H new ATOM 0 HB2 ARG A 9 0.827 7.770 5.931 1.00 1.34 H new ATOM 0 HB3 ARG A 9 -0.632 8.508 5.302 1.00 1.34 H new ATOM 0 HG2 ARG A 9 0.096 10.662 6.562 1.00 1.18 H new ATOM 0 HG3 ARG A 9 1.649 9.881 6.785 1.00 1.18 H new ATOM 0 HD2 ARG A 9 1.777 9.527 4.276 1.00 1.71 H new ATOM 0 HD3 ARG A 9 0.285 10.430 4.105 1.00 1.71 H new ATOM 0 HE ARG A 9 2.944 11.504 4.530 1.00 1.88 H new ATOM 0 HH11 ARG A 9 -0.492 12.231 5.228 1.00 2.32 H new ATOM 0 HH12 ARG A 9 -0.200 13.972 5.292 1.00 2.32 H new ATOM 0 HH21 ARG A 9 3.257 13.729 4.597 1.00 2.98 H new ATOM 0 HH22 ARG A 9 1.903 14.812 4.938 1.00 2.98 H new ATOM 152 N CYS A 10 -0.844 5.762 7.765 1.00 0.81 N ATOM 153 CA CYS A 10 -1.270 4.405 7.356 1.00 0.80 C ATOM 154 C CYS A 10 -1.697 3.449 8.475 1.00 0.78 C ATOM 155 O CYS A 10 -2.364 2.448 8.195 1.00 0.84 O ATOM 156 CB CYS A 10 -0.126 3.746 6.580 1.00 0.86 C ATOM 157 SG CYS A 10 0.452 4.655 5.126 1.00 1.04 S ATOM 0 H CYS A 10 -0.086 5.762 8.448 1.00 0.81 H new ATOM 0 HA CYS A 10 -2.169 4.568 6.762 1.00 0.80 H new ATOM 0 HB2 CYS A 10 0.716 3.605 7.258 1.00 0.86 H new ATOM 0 HB3 CYS A 10 -0.449 2.754 6.263 1.00 0.86 H new ATOM 162 N SER A 11 -1.344 3.744 9.728 1.00 0.82 N ATOM 163 CA SER A 11 -1.749 2.984 10.916 1.00 0.94 C ATOM 164 C SER A 11 -3.261 3.067 11.197 1.00 1.12 C ATOM 165 O SER A 11 -4.020 3.733 10.488 1.00 2.73 O ATOM 166 CB SER A 11 -0.916 3.470 12.107 1.00 1.11 C ATOM 167 OG SER A 11 -0.907 4.883 12.170 1.00 2.54 O ATOM 0 H SER A 11 -0.750 4.542 9.952 1.00 0.82 H new ATOM 0 HA SER A 11 -1.556 1.926 10.738 1.00 0.94 H new ATOM 0 HB2 SER A 11 -1.324 3.063 13.032 1.00 1.11 H new ATOM 0 HB3 SER A 11 0.105 3.099 12.018 1.00 1.11 H new ATOM 0 HG SER A 11 -1.431 5.179 12.943 1.00 2.54 H new ATOM 173 N SER A 12 -3.720 2.363 12.236 1.00 1.65 N ATOM 174 CA SER A 12 -5.127 2.210 12.666 1.00 1.77 C ATOM 175 C SER A 12 -6.051 1.448 11.690 1.00 1.34 C ATOM 176 O SER A 12 -6.966 0.765 12.154 1.00 1.72 O ATOM 177 CB SER A 12 -5.734 3.548 13.120 1.00 2.26 C ATOM 178 OG SER A 12 -4.849 4.250 13.988 1.00 3.52 O ATOM 0 H SER A 12 -3.083 1.848 12.844 1.00 1.65 H new ATOM 0 HA SER A 12 -5.070 1.548 13.530 1.00 1.77 H new ATOM 0 HB2 SER A 12 -5.956 4.163 12.248 1.00 2.26 H new ATOM 0 HB3 SER A 12 -6.680 3.366 13.631 1.00 2.26 H new ATOM 0 HG SER A 12 -5.260 5.097 14.259 1.00 3.52 H new ATOM 184 N CYS A 13 -5.781 1.457 10.375 1.00 0.86 N ATOM 185 CA CYS A 13 -6.287 0.430 9.447 1.00 0.68 C ATOM 186 C CYS A 13 -5.375 -0.805 9.418 1.00 0.75 C ATOM 187 O CYS A 13 -5.867 -1.913 9.629 1.00 1.33 O ATOM 188 CB CYS A 13 -6.452 0.943 8.010 1.00 0.71 C ATOM 189 SG CYS A 13 -7.901 1.986 7.668 1.00 0.90 S ATOM 0 H CYS A 13 -5.209 2.172 9.926 1.00 0.86 H new ATOM 0 HA CYS A 13 -7.270 0.161 9.833 1.00 0.68 H new ATOM 0 HB2 CYS A 13 -5.558 1.508 7.747 1.00 0.71 H new ATOM 0 HB3 CYS A 13 -6.491 0.081 7.345 1.00 0.71 H new ATOM 194 N HIS A 14 -4.067 -0.625 9.172 1.00 0.70 N ATOM 195 CA HIS A 14 -3.104 -1.716 8.955 1.00 0.71 C ATOM 196 C HIS A 14 -2.206 -2.068 10.154 1.00 0.72 C ATOM 197 O HIS A 14 -2.033 -1.321 11.120 1.00 0.91 O ATOM 198 CB HIS A 14 -2.211 -1.396 7.743 1.00 0.98 C ATOM 199 CG HIS A 14 -2.867 -1.601 6.410 1.00 0.73 C ATOM 200 ND1 HIS A 14 -3.181 -2.788 5.790 1.00 2.05 N ATOM 201 CD2 HIS A 14 -3.078 -0.601 5.520 1.00 0.80 C ATOM 202 CE1 HIS A 14 -3.608 -2.482 4.550 1.00 2.31 C ATOM 203 NE2 HIS A 14 -3.552 -1.153 4.316 1.00 1.04 N ATOM 0 H HIS A 14 -3.642 0.301 9.117 1.00 0.70 H new ATOM 0 HA HIS A 14 -3.725 -2.595 8.785 1.00 0.71 H new ATOM 0 HB2 HIS A 14 -1.882 -0.359 7.815 1.00 0.98 H new ATOM 0 HB3 HIS A 14 -1.318 -2.018 7.793 1.00 0.98 H new ATOM 0 HD1 HIS A 14 -3.105 -3.722 6.193 1.00 2.05 H new ATOM 0 HD2 HIS A 14 -2.910 0.450 5.705 1.00 0.80 H new ATOM 0 HE1 HIS A 14 -3.953 -3.210 3.831 1.00 2.31 H new ATOM 211 N THR A 15 -1.540 -3.200 9.955 1.00 0.79 N ATOM 212 CA THR A 15 -0.445 -3.788 10.744 1.00 1.04 C ATOM 213 C THR A 15 0.684 -4.215 9.804 1.00 0.86 C ATOM 214 O THR A 15 0.448 -4.452 8.620 1.00 0.73 O ATOM 215 CB THR A 15 -0.895 -5.025 11.546 1.00 1.48 C ATOM 216 OG1 THR A 15 -1.804 -5.831 10.825 1.00 2.06 O ATOM 217 CG2 THR A 15 -1.570 -4.651 12.860 1.00 1.62 C ATOM 0 H THR A 15 -1.771 -3.794 9.159 1.00 0.79 H new ATOM 0 HA THR A 15 -0.112 -3.025 11.448 1.00 1.04 H new ATOM 0 HB THR A 15 0.024 -5.577 11.741 1.00 1.48 H new ATOM 0 HG1 THR A 15 -1.725 -6.761 11.124 1.00 2.06 H new ATOM 0 HG21 THR A 15 -1.868 -5.557 13.387 1.00 1.62 H new ATOM 0 HG22 THR A 15 -0.874 -4.084 13.478 1.00 1.62 H new ATOM 0 HG23 THR A 15 -2.452 -4.043 12.656 1.00 1.62 H new ATOM 225 N VAL A 16 1.910 -4.317 10.315 1.00 1.05 N ATOM 226 CA VAL A 16 3.053 -4.911 9.599 1.00 1.01 C ATOM 227 C VAL A 16 3.685 -5.978 10.485 1.00 1.10 C ATOM 228 O VAL A 16 4.234 -5.705 11.548 1.00 1.58 O ATOM 229 CB VAL A 16 4.053 -3.877 9.007 1.00 1.07 C ATOM 230 CG1 VAL A 16 3.911 -2.459 9.561 1.00 2.94 C ATOM 231 CG2 VAL A 16 5.526 -4.307 9.025 1.00 2.86 C ATOM 0 H VAL A 16 2.147 -3.987 11.250 1.00 1.05 H new ATOM 0 HA VAL A 16 2.682 -5.395 8.696 1.00 1.01 H new ATOM 0 HB VAL A 16 3.743 -3.853 7.962 1.00 1.07 H new ATOM 0 HG11 VAL A 16 4.649 -1.809 9.090 1.00 2.94 H new ATOM 0 HG12 VAL A 16 2.910 -2.084 9.349 1.00 2.94 H new ATOM 0 HG13 VAL A 16 4.073 -2.471 10.639 1.00 2.94 H new ATOM 0 HG21 VAL A 16 6.141 -3.518 8.591 1.00 2.86 H new ATOM 0 HG22 VAL A 16 5.840 -4.488 10.053 1.00 2.86 H new ATOM 0 HG23 VAL A 16 5.645 -5.221 8.443 1.00 2.86 H new ATOM 241 N GLY A 17 3.554 -7.216 10.022 1.00 0.98 N ATOM 242 CA GLY A 17 4.044 -8.426 10.682 1.00 1.20 C ATOM 243 C GLY A 17 3.173 -8.906 11.849 1.00 1.65 C ATOM 244 O GLY A 17 3.666 -9.665 12.686 1.00 1.80 O ATOM 0 H GLY A 17 3.084 -7.415 9.139 1.00 0.98 H new ATOM 0 HA2 GLY A 17 4.114 -9.225 9.944 1.00 1.20 H new ATOM 0 HA3 GLY A 17 5.054 -8.242 11.049 1.00 1.20 H new ATOM 248 N ASN A 18 1.916 -8.453 11.944 1.00 2.29 N ATOM 249 CA ASN A 18 1.036 -8.694 13.095 1.00 2.93 C ATOM 250 C ASN A 18 -0.429 -8.929 12.674 1.00 3.30 C ATOM 251 O ASN A 18 -0.970 -8.216 11.826 1.00 4.22 O ATOM 252 CB ASN A 18 1.178 -7.515 14.082 1.00 3.07 C ATOM 253 CG ASN A 18 0.416 -7.700 15.384 1.00 4.25 C ATOM 254 OD1 ASN A 18 -0.057 -8.774 15.727 1.00 5.57 O ATOM 255 ND2 ASN A 18 0.284 -6.667 16.175 1.00 4.38 N ATOM 0 H ASN A 18 1.474 -7.899 11.210 1.00 2.29 H new ATOM 0 HA ASN A 18 1.343 -9.615 13.591 1.00 2.93 H new ATOM 0 HB2 ASN A 18 2.234 -7.371 14.309 1.00 3.07 H new ATOM 0 HB3 ASN A 18 0.829 -6.604 13.596 1.00 3.07 H new ATOM 0 HD21 ASN A 18 -0.208 -6.764 17.063 1.00 4.38 H new ATOM 0 HD22 ASN A 18 0.673 -5.764 15.904 1.00 4.38 H new ATOM 262 N THR A 19 -1.086 -9.895 13.323 1.00 3.51 N ATOM 263 CA THR A 19 -2.467 -10.347 13.059 1.00 4.14 C ATOM 264 C THR A 19 -3.329 -10.457 14.328 1.00 4.62 C ATOM 265 O THR A 19 -4.353 -11.139 14.315 1.00 5.93 O ATOM 266 CB THR A 19 -2.471 -11.670 12.264 1.00 5.01 C ATOM 267 OG1 THR A 19 -1.546 -12.614 12.785 1.00 5.47 O ATOM 268 CG2 THR A 19 -2.078 -11.443 10.806 1.00 5.49 C ATOM 0 H THR A 19 -0.652 -10.413 14.087 1.00 3.51 H new ATOM 0 HA THR A 19 -2.931 -9.571 12.450 1.00 4.14 H new ATOM 0 HB THR A 19 -3.489 -12.051 12.346 1.00 5.01 H new ATOM 0 HG1 THR A 19 -1.583 -13.436 12.253 1.00 5.47 H new ATOM 0 HG21 THR A 19 -2.090 -12.394 10.274 1.00 5.49 H new ATOM 0 HG22 THR A 19 -2.786 -10.757 10.341 1.00 5.49 H new ATOM 0 HG23 THR A 19 -1.076 -11.015 10.762 1.00 5.49 H new ATOM 276 N GLU A 20 -2.937 -9.806 15.431 1.00 4.24 N ATOM 277 CA GLU A 20 -3.616 -9.890 16.737 1.00 5.03 C ATOM 278 C GLU A 20 -5.141 -9.589 16.687 1.00 5.13 C ATOM 279 O GLU A 20 -5.604 -8.823 15.832 1.00 4.81 O ATOM 280 CB GLU A 20 -2.901 -8.987 17.768 1.00 5.56 C ATOM 281 CG GLU A 20 -2.988 -7.488 17.444 1.00 5.65 C ATOM 282 CD GLU A 20 -2.323 -6.596 18.502 1.00 6.49 C ATOM 283 OE1 GLU A 20 -1.079 -6.635 18.677 1.00 6.92 O ATOM 284 OE2 GLU A 20 -3.034 -5.753 19.101 1.00 7.24 O ATOM 0 H GLU A 20 -2.122 -9.193 15.444 1.00 4.24 H new ATOM 0 HA GLU A 20 -3.544 -10.932 17.050 1.00 5.03 H new ATOM 0 HB2 GLU A 20 -3.334 -9.162 18.753 1.00 5.56 H new ATOM 0 HB3 GLU A 20 -1.852 -9.277 17.825 1.00 5.56 H new ATOM 0 HG2 GLU A 20 -2.518 -7.305 16.478 1.00 5.65 H new ATOM 0 HG3 GLU A 20 -4.036 -7.205 17.348 1.00 5.65 H new ATOM 291 N PRO A 21 -5.951 -10.161 17.602 1.00 6.03 N ATOM 292 CA PRO A 21 -7.361 -9.807 17.739 1.00 6.55 C ATOM 293 C PRO A 21 -7.525 -8.375 18.274 1.00 6.37 C ATOM 294 O PRO A 21 -6.708 -7.884 19.060 1.00 6.24 O ATOM 295 CB PRO A 21 -7.960 -10.866 18.668 1.00 7.68 C ATOM 296 CG PRO A 21 -6.779 -11.251 19.557 1.00 7.80 C ATOM 297 CD PRO A 21 -5.592 -11.158 18.602 1.00 6.94 C ATOM 0 HA PRO A 21 -7.881 -9.804 16.781 1.00 6.55 H new ATOM 0 HB2 PRO A 21 -8.791 -10.468 19.251 1.00 7.68 H new ATOM 0 HB3 PRO A 21 -8.342 -11.722 18.111 1.00 7.68 H new ATOM 0 HG2 PRO A 21 -6.672 -10.572 20.403 1.00 7.80 H new ATOM 0 HG3 PRO A 21 -6.891 -12.255 19.966 1.00 7.80 H new ATOM 0 HD2 PRO A 21 -4.686 -10.867 19.134 1.00 6.94 H new ATOM 0 HD3 PRO A 21 -5.391 -12.122 18.135 1.00 6.94 H new ATOM 305 N GLY A 22 -8.584 -7.692 17.847 1.00 6.97 N ATOM 306 CA GLY A 22 -8.768 -6.244 18.021 1.00 7.26 C ATOM 307 C GLY A 22 -9.165 -5.571 16.703 1.00 6.70 C ATOM 308 O GLY A 22 -9.613 -6.242 15.769 1.00 6.63 O ATOM 0 H GLY A 22 -9.361 -8.137 17.357 1.00 6.97 H new ATOM 0 HA2 GLY A 22 -9.537 -6.061 18.772 1.00 7.26 H new ATOM 0 HA3 GLY A 22 -7.845 -5.800 18.395 1.00 7.26 H new ATOM 312 N GLN A 23 -8.932 -4.261 16.578 1.00 6.81 N ATOM 313 CA GLN A 23 -9.123 -3.551 15.302 1.00 6.56 C ATOM 314 C GLN A 23 -8.238 -4.004 14.110 1.00 5.18 C ATOM 315 O GLN A 23 -8.637 -3.733 12.974 1.00 4.96 O ATOM 316 CB GLN A 23 -9.096 -2.026 15.510 1.00 7.87 C ATOM 317 CG GLN A 23 -7.713 -1.411 15.761 1.00 8.76 C ATOM 318 CD GLN A 23 -7.848 0.088 15.995 1.00 10.23 C ATOM 319 OE1 GLN A 23 -8.019 0.547 17.119 1.00 10.88 O ATOM 320 NE2 GLN A 23 -7.823 0.912 14.972 1.00 11.17 N ATOM 0 H GLN A 23 -8.611 -3.667 17.343 1.00 6.81 H new ATOM 0 HA GLN A 23 -10.119 -3.852 14.978 1.00 6.56 H new ATOM 0 HB2 GLN A 23 -9.530 -1.551 14.630 1.00 7.87 H new ATOM 0 HB3 GLN A 23 -9.740 -1.782 16.355 1.00 7.87 H new ATOM 0 HG2 GLN A 23 -7.247 -1.883 16.626 1.00 8.76 H new ATOM 0 HG3 GLN A 23 -7.062 -1.598 14.907 1.00 8.76 H new ATOM 0 HE21 GLN A 23 -7.682 0.550 14.029 1.00 11.17 H new ATOM 0 HE22 GLN A 23 -7.945 1.914 15.121 1.00 11.17 H new ATOM 329 N PRO A 24 -7.094 -4.714 14.269 1.00 4.99 N ATOM 330 CA PRO A 24 -6.393 -5.300 13.127 1.00 4.45 C ATOM 331 C PRO A 24 -7.267 -6.236 12.290 1.00 4.04 C ATOM 332 O PRO A 24 -8.124 -6.950 12.816 1.00 4.40 O ATOM 333 CB PRO A 24 -5.150 -5.994 13.690 1.00 5.64 C ATOM 334 CG PRO A 24 -4.850 -5.143 14.919 1.00 6.91 C ATOM 335 CD PRO A 24 -6.253 -4.854 15.452 1.00 6.33 C ATOM 0 HA PRO A 24 -6.113 -4.519 12.420 1.00 4.45 H new ATOM 0 HB2 PRO A 24 -5.345 -7.034 13.950 1.00 5.64 H new ATOM 0 HB3 PRO A 24 -4.323 -5.993 12.980 1.00 5.64 H new ATOM 0 HG2 PRO A 24 -4.239 -5.677 15.646 1.00 6.91 H new ATOM 0 HG3 PRO A 24 -4.314 -4.229 14.662 1.00 6.91 H new ATOM 0 HD2 PRO A 24 -6.605 -5.664 16.091 1.00 6.33 H new ATOM 0 HD3 PRO A 24 -6.266 -3.945 16.053 1.00 6.33 H new ATOM 343 N GLY A 25 -7.049 -6.218 10.973 1.00 4.44 N ATOM 344 CA GLY A 25 -7.909 -6.884 9.988 1.00 5.05 C ATOM 345 C GLY A 25 -8.942 -5.973 9.304 1.00 3.77 C ATOM 346 O GLY A 25 -9.673 -6.443 8.432 1.00 4.11 O ATOM 0 H GLY A 25 -6.257 -5.732 10.552 1.00 4.44 H new ATOM 0 HA2 GLY A 25 -7.277 -7.332 9.221 1.00 5.05 H new ATOM 0 HA3 GLY A 25 -8.437 -7.700 10.482 1.00 5.05 H new ATOM 350 N ILE A 26 -8.999 -4.672 9.632 1.00 2.51 N ATOM 351 CA ILE A 26 -9.663 -3.660 8.775 1.00 1.56 C ATOM 352 C ILE A 26 -8.864 -3.512 7.474 1.00 2.07 C ATOM 353 O ILE A 26 -9.402 -3.678 6.378 1.00 3.20 O ATOM 354 CB ILE A 26 -9.827 -2.319 9.534 1.00 1.39 C ATOM 355 CG1 ILE A 26 -10.854 -2.488 10.678 1.00 2.42 C ATOM 356 CG2 ILE A 26 -10.270 -1.186 8.585 1.00 1.45 C ATOM 357 CD1 ILE A 26 -10.927 -1.291 11.634 1.00 2.32 C ATOM 0 H ILE A 26 -8.594 -4.289 10.486 1.00 2.51 H new ATOM 0 HA ILE A 26 -10.671 -3.986 8.519 1.00 1.56 H new ATOM 0 HB ILE A 26 -8.859 -2.044 9.952 1.00 1.39 H new ATOM 0 HG12 ILE A 26 -11.840 -2.654 10.245 1.00 2.42 H new ATOM 0 HG13 ILE A 26 -10.602 -3.381 11.250 1.00 2.42 H new ATOM 0 HG21 ILE A 26 -10.376 -0.259 9.149 1.00 1.45 H new ATOM 0 HG22 ILE A 26 -9.521 -1.052 7.804 1.00 1.45 H new ATOM 0 HG23 ILE A 26 -11.226 -1.445 8.130 1.00 1.45 H new ATOM 0 HD11 ILE A 26 -11.670 -1.488 12.407 1.00 2.32 H new ATOM 0 HD12 ILE A 26 -9.953 -1.136 12.098 1.00 2.32 H new ATOM 0 HD13 ILE A 26 -11.211 -0.398 11.078 1.00 2.32 H new ATOM 369 N GLY A 27 -7.553 -3.283 7.604 1.00 1.91 N ATOM 370 CA GLY A 27 -6.559 -3.610 6.587 1.00 2.86 C ATOM 371 C GLY A 27 -5.758 -4.852 7.017 1.00 1.95 C ATOM 372 O GLY A 27 -5.148 -4.806 8.088 1.00 1.98 O ATOM 0 H GLY A 27 -7.149 -2.856 8.438 1.00 1.91 H new ATOM 0 HA2 GLY A 27 -7.051 -3.796 5.632 1.00 2.86 H new ATOM 0 HA3 GLY A 27 -5.886 -2.766 6.439 1.00 2.86 H new ATOM 376 N PRO A 28 -5.739 -5.938 6.223 1.00 1.68 N ATOM 377 CA PRO A 28 -4.822 -7.074 6.371 1.00 1.41 C ATOM 378 C PRO A 28 -3.337 -6.728 6.593 1.00 1.25 C ATOM 379 O PRO A 28 -2.890 -5.597 6.377 1.00 1.42 O ATOM 380 CB PRO A 28 -5.001 -7.886 5.087 1.00 2.02 C ATOM 381 CG PRO A 28 -6.470 -7.669 4.738 1.00 2.76 C ATOM 382 CD PRO A 28 -6.751 -6.245 5.219 1.00 2.28 C ATOM 0 HA PRO A 28 -5.077 -7.611 7.285 1.00 1.41 H new ATOM 0 HB2 PRO A 28 -4.342 -7.534 4.293 1.00 2.02 H new ATOM 0 HB3 PRO A 28 -4.776 -8.941 5.243 1.00 2.02 H new ATOM 0 HG2 PRO A 28 -6.647 -7.772 3.667 1.00 2.76 H new ATOM 0 HG3 PRO A 28 -7.112 -8.394 5.238 1.00 2.76 H new ATOM 0 HD2 PRO A 28 -6.701 -5.539 4.390 1.00 2.28 H new ATOM 0 HD3 PRO A 28 -7.753 -6.169 5.642 1.00 2.28 H new ATOM 390 N ASP A 29 -2.576 -7.736 7.027 1.00 1.21 N ATOM 391 CA ASP A 29 -1.151 -7.649 7.373 1.00 1.13 C ATOM 392 C ASP A 29 -0.231 -7.365 6.168 1.00 1.07 C ATOM 393 O ASP A 29 -0.495 -7.803 5.043 1.00 1.32 O ATOM 394 CB ASP A 29 -0.763 -8.954 8.086 1.00 1.44 C ATOM 395 CG ASP A 29 0.689 -8.964 8.557 1.00 1.70 C ATOM 396 OD1 ASP A 29 1.163 -7.908 9.030 1.00 2.42 O ATOM 397 OD2 ASP A 29 1.350 -10.025 8.441 1.00 2.62 O ATOM 0 H ASP A 29 -2.950 -8.676 7.153 1.00 1.21 H new ATOM 0 HA ASP A 29 -1.007 -6.790 8.029 1.00 1.13 H new ATOM 0 HB2 ASP A 29 -1.419 -9.102 8.944 1.00 1.44 H new ATOM 0 HB3 ASP A 29 -0.926 -9.794 7.411 1.00 1.44 H new ATOM 402 N LEU A 30 0.866 -6.643 6.429 1.00 0.95 N ATOM 403 CA LEU A 30 1.824 -6.099 5.457 1.00 0.99 C ATOM 404 C LEU A 30 3.176 -6.837 5.488 1.00 1.08 C ATOM 405 O LEU A 30 3.349 -7.849 4.813 1.00 2.17 O ATOM 406 CB LEU A 30 1.986 -4.580 5.714 1.00 1.16 C ATOM 407 CG LEU A 30 0.738 -3.732 5.489 1.00 0.98 C ATOM 408 CD1 LEU A 30 0.980 -2.310 6.004 1.00 1.31 C ATOM 409 CD2 LEU A 30 0.403 -3.600 4.006 1.00 1.45 C ATOM 0 H LEU A 30 1.125 -6.408 7.387 1.00 0.95 H new ATOM 0 HA LEU A 30 1.433 -6.255 4.452 1.00 0.99 H new ATOM 0 HB2 LEU A 30 2.318 -4.438 6.742 1.00 1.16 H new ATOM 0 HB3 LEU A 30 2.779 -4.204 5.068 1.00 1.16 H new ATOM 0 HG LEU A 30 -0.078 -4.227 6.015 1.00 0.98 H new ATOM 0 HD11 LEU A 30 0.086 -1.707 5.842 1.00 1.31 H new ATOM 0 HD12 LEU A 30 1.207 -2.343 7.070 1.00 1.31 H new ATOM 0 HD13 LEU A 30 1.819 -1.867 5.468 1.00 1.31 H new ATOM 0 HD21 LEU A 30 -0.492 -2.989 3.888 1.00 1.45 H new ATOM 0 HD22 LEU A 30 1.236 -3.128 3.485 1.00 1.45 H new ATOM 0 HD23 LEU A 30 0.225 -4.589 3.584 1.00 1.45 H new ATOM 421 N LEU A 31 4.140 -6.283 6.238 1.00 1.37 N ATOM 422 CA LEU A 31 5.575 -6.603 6.234 1.00 1.63 C ATOM 423 C LEU A 31 6.110 -6.907 4.826 1.00 2.26 C ATOM 424 O LEU A 31 5.999 -6.081 3.925 1.00 3.96 O ATOM 425 CB LEU A 31 5.885 -7.661 7.321 1.00 1.41 C ATOM 426 CG LEU A 31 7.373 -7.841 7.721 1.00 1.90 C ATOM 427 CD1 LEU A 31 8.279 -6.619 7.529 1.00 3.36 C ATOM 428 CD2 LEU A 31 7.444 -8.203 9.201 1.00 2.82 C ATOM 0 H LEU A 31 3.922 -5.548 6.911 1.00 1.37 H new ATOM 0 HA LEU A 31 6.145 -5.718 6.516 1.00 1.63 H new ATOM 0 HB2 LEU A 31 5.322 -7.401 8.217 1.00 1.41 H new ATOM 0 HB3 LEU A 31 5.508 -8.623 6.975 1.00 1.41 H new ATOM 0 HG LEU A 31 7.742 -8.615 7.048 1.00 1.90 H new ATOM 0 HD11 LEU A 31 9.294 -6.865 7.842 1.00 3.36 H new ATOM 0 HD12 LEU A 31 8.284 -6.331 6.478 1.00 3.36 H new ATOM 0 HD13 LEU A 31 7.905 -5.791 8.130 1.00 3.36 H new ATOM 0 HD21 LEU A 31 8.486 -8.332 9.494 1.00 2.82 H new ATOM 0 HD22 LEU A 31 6.997 -7.404 9.793 1.00 2.82 H new ATOM 0 HD23 LEU A 31 6.900 -9.132 9.375 1.00 2.82 H new ATOM 440 N GLY A 32 6.650 -8.109 4.654 1.00 1.43 N ATOM 441 CA GLY A 32 7.210 -8.661 3.414 1.00 1.64 C ATOM 442 C GLY A 32 6.239 -8.848 2.237 1.00 1.30 C ATOM 443 O GLY A 32 6.580 -9.554 1.291 1.00 1.35 O ATOM 0 H GLY A 32 6.715 -8.772 5.426 1.00 1.43 H new ATOM 0 HA2 GLY A 32 8.019 -8.008 3.086 1.00 1.64 H new ATOM 0 HA3 GLY A 32 7.655 -9.629 3.644 1.00 1.64 H new ATOM 447 N VAL A 33 5.055 -8.220 2.223 1.00 1.13 N ATOM 448 CA VAL A 33 4.122 -8.242 1.076 1.00 1.19 C ATOM 449 C VAL A 33 4.798 -7.807 -0.240 1.00 0.99 C ATOM 450 O VAL A 33 4.542 -8.387 -1.296 1.00 1.22 O ATOM 451 CB VAL A 33 2.857 -7.414 1.398 1.00 1.30 C ATOM 452 CG1 VAL A 33 3.122 -5.920 1.633 1.00 1.68 C ATOM 453 CG2 VAL A 33 1.798 -7.556 0.306 1.00 1.70 C ATOM 0 H VAL A 33 4.710 -7.675 3.013 1.00 1.13 H new ATOM 0 HA VAL A 33 3.811 -9.274 0.914 1.00 1.19 H new ATOM 0 HB VAL A 33 2.494 -7.834 2.336 1.00 1.30 H new ATOM 0 HG11 VAL A 33 2.182 -5.414 1.852 1.00 1.68 H new ATOM 0 HG12 VAL A 33 3.804 -5.799 2.475 1.00 1.68 H new ATOM 0 HG13 VAL A 33 3.568 -5.485 0.739 1.00 1.68 H new ATOM 0 HG21 VAL A 33 0.924 -6.960 0.567 1.00 1.70 H new ATOM 0 HG22 VAL A 33 2.205 -7.207 -0.643 1.00 1.70 H new ATOM 0 HG23 VAL A 33 1.509 -8.603 0.213 1.00 1.70 H new ATOM 463 N THR A 34 5.770 -6.892 -0.169 1.00 0.73 N ATOM 464 CA THR A 34 6.663 -6.450 -1.263 1.00 0.76 C ATOM 465 C THR A 34 7.596 -7.537 -1.831 1.00 0.91 C ATOM 466 O THR A 34 8.210 -7.324 -2.880 1.00 1.16 O ATOM 467 CB THR A 34 7.491 -5.233 -0.791 1.00 1.01 C ATOM 468 OG1 THR A 34 7.723 -5.297 0.596 1.00 2.64 O ATOM 469 CG2 THR A 34 6.732 -3.932 -1.043 1.00 2.80 C ATOM 0 H THR A 34 5.973 -6.406 0.704 1.00 0.73 H new ATOM 0 HA THR A 34 6.005 -6.185 -2.090 1.00 0.76 H new ATOM 0 HB THR A 34 8.428 -5.254 -1.347 1.00 1.01 H new ATOM 0 HG1 THR A 34 8.576 -4.862 0.805 1.00 2.64 H new ATOM 0 HG21 THR A 34 7.333 -3.088 -0.703 1.00 2.80 H new ATOM 0 HG22 THR A 34 6.531 -3.829 -2.109 1.00 2.80 H new ATOM 0 HG23 THR A 34 5.789 -3.949 -0.496 1.00 2.80 H new ATOM 477 N ARG A 35 7.662 -8.720 -1.205 1.00 0.98 N ATOM 478 CA ARG A 35 8.295 -9.950 -1.725 1.00 1.25 C ATOM 479 C ARG A 35 7.325 -11.141 -1.849 1.00 1.65 C ATOM 480 O ARG A 35 7.757 -12.288 -1.988 1.00 2.43 O ATOM 481 CB ARG A 35 9.643 -10.230 -1.016 1.00 1.58 C ATOM 482 CG ARG A 35 9.652 -10.288 0.523 1.00 2.28 C ATOM 483 CD ARG A 35 9.126 -11.597 1.133 1.00 2.80 C ATOM 484 NE ARG A 35 10.211 -12.570 1.351 1.00 3.25 N ATOM 485 CZ ARG A 35 10.531 -13.626 0.578 1.00 3.86 C ATOM 486 NH1 ARG A 35 9.840 -13.940 -0.527 1.00 4.59 N ATOM 487 NH2 ARG A 35 11.578 -14.388 0.923 1.00 4.76 N ATOM 0 H ARG A 35 7.258 -8.857 -0.278 1.00 0.98 H new ATOM 0 HA ARG A 35 8.563 -9.777 -2.767 1.00 1.25 H new ATOM 0 HB2 ARG A 35 10.025 -11.181 -1.388 1.00 1.58 H new ATOM 0 HB3 ARG A 35 10.349 -9.460 -1.325 1.00 1.58 H new ATOM 0 HG2 ARG A 35 10.673 -10.129 0.870 1.00 2.28 H new ATOM 0 HG3 ARG A 35 9.053 -9.462 0.905 1.00 2.28 H new ATOM 0 HD2 ARG A 35 8.632 -11.384 2.081 1.00 2.80 H new ATOM 0 HD3 ARG A 35 8.375 -12.031 0.472 1.00 2.80 H new ATOM 0 HE ARG A 35 10.785 -12.428 2.182 1.00 3.25 H new ATOM 0 HH11 ARG A 35 9.041 -13.371 -0.808 1.00 4.59 H new ATOM 0 HH12 ARG A 35 10.113 -14.748 -1.087 1.00 4.59 H new ATOM 0 HH21 ARG A 35 12.118 -14.164 1.759 1.00 4.76 H new ATOM 0 HH22 ARG A 35 11.835 -15.192 0.350 1.00 4.76 H new ATOM 501 N GLN A 36 6.012 -10.881 -1.812 1.00 1.30 N ATOM 502 CA GLN A 36 4.941 -11.865 -2.035 1.00 1.62 C ATOM 503 C GLN A 36 3.990 -11.490 -3.195 1.00 1.65 C ATOM 504 O GLN A 36 3.457 -12.394 -3.845 1.00 2.00 O ATOM 505 CB GLN A 36 4.136 -12.062 -0.735 1.00 1.75 C ATOM 506 CG GLN A 36 4.940 -12.516 0.499 1.00 2.62 C ATOM 507 CD GLN A 36 5.644 -13.866 0.373 1.00 3.70 C ATOM 508 OE1 GLN A 36 5.443 -14.638 -0.552 1.00 4.18 O ATOM 509 NE2 GLN A 36 6.474 -14.226 1.323 1.00 5.06 N ATOM 0 H GLN A 36 5.652 -9.946 -1.619 1.00 1.30 H new ATOM 0 HA GLN A 36 5.427 -12.796 -2.326 1.00 1.62 H new ATOM 0 HB2 GLN A 36 3.639 -11.122 -0.494 1.00 1.75 H new ATOM 0 HB3 GLN A 36 3.354 -12.797 -0.924 1.00 1.75 H new ATOM 0 HG2 GLN A 36 5.689 -11.756 0.721 1.00 2.62 H new ATOM 0 HG3 GLN A 36 4.265 -12.558 1.354 1.00 2.62 H new ATOM 0 HE21 GLN A 36 6.657 -13.598 2.105 1.00 5.06 H new ATOM 0 HE22 GLN A 36 6.936 -15.134 1.279 1.00 5.06 H new ATOM 518 N ARG A 37 3.788 -10.191 -3.466 1.00 1.45 N ATOM 519 CA ARG A 37 2.935 -9.602 -4.529 1.00 1.58 C ATOM 520 C ARG A 37 3.774 -9.043 -5.695 1.00 1.55 C ATOM 521 O ARG A 37 4.994 -9.229 -5.711 1.00 2.18 O ATOM 522 CB ARG A 37 2.032 -8.541 -3.866 1.00 1.69 C ATOM 523 CG ARG A 37 0.968 -9.163 -2.938 1.00 2.44 C ATOM 524 CD ARG A 37 -0.312 -9.530 -3.700 1.00 1.91 C ATOM 525 NE ARG A 37 -1.293 -10.248 -2.865 1.00 2.05 N ATOM 526 CZ ARG A 37 -2.042 -9.731 -1.869 1.00 1.87 C ATOM 527 NH1 ARG A 37 -1.908 -8.465 -1.449 1.00 3.59 N ATOM 528 NH2 ARG A 37 -2.957 -10.504 -1.272 1.00 1.97 N ATOM 0 H ARG A 37 4.246 -9.467 -2.913 1.00 1.45 H new ATOM 0 HA ARG A 37 2.309 -10.369 -4.986 1.00 1.58 H new ATOM 0 HB2 ARG A 37 2.650 -7.851 -3.292 1.00 1.69 H new ATOM 0 HB3 ARG A 37 1.536 -7.956 -4.641 1.00 1.69 H new ATOM 0 HG2 ARG A 37 1.377 -10.055 -2.464 1.00 2.44 H new ATOM 0 HG3 ARG A 37 0.727 -8.460 -2.140 1.00 2.44 H new ATOM 0 HD2 ARG A 37 -0.770 -8.621 -4.089 1.00 1.91 H new ATOM 0 HD3 ARG A 37 -0.052 -10.149 -4.559 1.00 1.91 H new ATOM 0 HE ARG A 37 -1.419 -11.241 -3.061 1.00 2.05 H new ATOM 0 HH11 ARG A 37 -1.219 -7.853 -1.886 1.00 3.59 H new ATOM 0 HH12 ARG A 37 -2.495 -8.114 -0.692 1.00 3.59 H new ATOM 0 HH21 ARG A 37 -3.081 -11.471 -1.571 1.00 1.97 H new ATOM 0 HH22 ARG A 37 -3.530 -10.126 -0.518 1.00 1.97 H new ATOM 542 N ASP A 38 3.153 -8.379 -6.680 1.00 1.34 N ATOM 543 CA ASP A 38 3.890 -7.698 -7.760 1.00 1.33 C ATOM 544 C ASP A 38 4.513 -6.376 -7.277 1.00 1.33 C ATOM 545 O ASP A 38 3.822 -5.406 -6.953 1.00 1.33 O ATOM 546 CB ASP A 38 3.019 -7.482 -9.004 1.00 1.40 C ATOM 547 CG ASP A 38 3.858 -7.011 -10.202 1.00 1.90 C ATOM 548 OD1 ASP A 38 4.334 -5.848 -10.233 1.00 2.94 O ATOM 549 OD2 ASP A 38 4.069 -7.830 -11.127 1.00 2.82 O ATOM 0 H ASP A 38 2.139 -8.298 -6.753 1.00 1.34 H new ATOM 0 HA ASP A 38 4.706 -8.360 -8.050 1.00 1.33 H new ATOM 0 HB2 ASP A 38 2.509 -8.411 -9.258 1.00 1.40 H new ATOM 0 HB3 ASP A 38 2.247 -6.744 -8.786 1.00 1.40 H new ATOM 554 N ALA A 39 5.843 -6.341 -7.263 1.00 1.51 N ATOM 555 CA ALA A 39 6.660 -5.277 -6.686 1.00 1.52 C ATOM 556 C ALA A 39 6.551 -3.906 -7.378 1.00 1.43 C ATOM 557 O ALA A 39 6.950 -2.911 -6.766 1.00 1.60 O ATOM 558 CB ALA A 39 8.108 -5.767 -6.709 1.00 1.76 C ATOM 0 H ALA A 39 6.406 -7.087 -7.672 1.00 1.51 H new ATOM 0 HA ALA A 39 6.289 -5.091 -5.678 1.00 1.52 H new ATOM 0 HB1 ALA A 39 8.758 -5.001 -6.286 1.00 1.76 H new ATOM 0 HB2 ALA A 39 8.192 -6.681 -6.121 1.00 1.76 H new ATOM 0 HB3 ALA A 39 8.407 -5.969 -7.737 1.00 1.76 H new ATOM 564 N ASN A 40 6.032 -3.823 -8.611 1.00 1.39 N ATOM 565 CA ASN A 40 5.805 -2.560 -9.323 1.00 1.32 C ATOM 566 C ASN A 40 4.322 -2.157 -9.323 1.00 1.07 C ATOM 567 O ASN A 40 4.015 -0.984 -9.081 1.00 1.07 O ATOM 568 CB ASN A 40 6.384 -2.630 -10.750 1.00 1.51 C ATOM 569 CG ASN A 40 7.894 -2.439 -10.830 1.00 2.55 C ATOM 570 OD1 ASN A 40 8.636 -2.625 -9.875 1.00 3.91 O ATOM 571 ND2 ASN A 40 8.396 -2.033 -11.970 1.00 2.67 N ATOM 0 H ASN A 40 5.754 -4.644 -9.149 1.00 1.39 H new ATOM 0 HA ASN A 40 6.336 -1.774 -8.785 1.00 1.32 H new ATOM 0 HB2 ASN A 40 6.129 -3.597 -11.185 1.00 1.51 H new ATOM 0 HB3 ASN A 40 5.901 -1.868 -11.362 1.00 1.51 H new ATOM 0 HD21 ASN A 40 9.400 -1.874 -12.057 1.00 2.67 H new ATOM 0 HD22 ASN A 40 7.783 -1.876 -12.770 1.00 2.67 H new ATOM 578 N TRP A 41 3.400 -3.113 -9.516 1.00 0.93 N ATOM 579 CA TRP A 41 1.955 -2.844 -9.443 1.00 0.70 C ATOM 580 C TRP A 41 1.567 -2.274 -8.073 1.00 0.62 C ATOM 581 O TRP A 41 0.842 -1.285 -8.009 1.00 0.57 O ATOM 582 CB TRP A 41 1.148 -4.120 -9.716 1.00 0.66 C ATOM 583 CG TRP A 41 -0.342 -3.929 -9.665 1.00 0.57 C ATOM 584 CD1 TRP A 41 -1.151 -3.567 -10.689 1.00 0.61 C ATOM 585 CD2 TRP A 41 -1.204 -3.994 -8.486 1.00 0.70 C ATOM 586 NE1 TRP A 41 -2.452 -3.434 -10.233 1.00 0.77 N ATOM 587 CE2 TRP A 41 -2.531 -3.638 -8.870 1.00 0.83 C ATOM 588 CE3 TRP A 41 -0.984 -4.281 -7.122 1.00 0.85 C ATOM 589 CZ2 TRP A 41 -3.579 -3.557 -7.940 1.00 1.09 C ATOM 590 CZ3 TRP A 41 -2.020 -4.159 -6.179 1.00 1.08 C ATOM 591 CH2 TRP A 41 -3.317 -3.803 -6.579 1.00 1.20 C ATOM 0 H TRP A 41 3.631 -4.084 -9.725 1.00 0.93 H new ATOM 0 HA TRP A 41 1.722 -2.104 -10.209 1.00 0.70 H new ATOM 0 HB2 TRP A 41 1.420 -4.505 -10.699 1.00 0.66 H new ATOM 0 HB3 TRP A 41 1.431 -4.879 -8.986 1.00 0.66 H new ATOM 0 HD1 TRP A 41 -0.830 -3.406 -11.708 1.00 0.61 H new ATOM 0 HE1 TRP A 41 -3.250 -3.213 -10.829 1.00 0.77 H new ATOM 0 HE3 TRP A 41 -0.004 -4.599 -6.797 1.00 0.85 H new ATOM 0 HZ2 TRP A 41 -4.578 -3.308 -8.266 1.00 1.09 H new ATOM 0 HZ3 TRP A 41 -1.815 -4.341 -5.134 1.00 1.08 H new ATOM 0 HH2 TRP A 41 -4.108 -3.718 -5.848 1.00 1.20 H new ATOM 602 N LEU A 42 2.118 -2.831 -6.983 1.00 0.71 N ATOM 603 CA LEU A 42 1.883 -2.390 -5.601 1.00 0.71 C ATOM 604 C LEU A 42 2.169 -0.891 -5.403 1.00 0.65 C ATOM 605 O LEU A 42 1.461 -0.213 -4.655 1.00 0.62 O ATOM 606 CB LEU A 42 2.746 -3.301 -4.699 1.00 0.87 C ATOM 607 CG LEU A 42 2.675 -3.057 -3.178 1.00 1.12 C ATOM 608 CD1 LEU A 42 3.058 -4.341 -2.435 1.00 1.90 C ATOM 609 CD2 LEU A 42 3.643 -1.971 -2.688 1.00 2.21 C ATOM 0 H LEU A 42 2.758 -3.623 -7.042 1.00 0.71 H new ATOM 0 HA LEU A 42 0.830 -2.488 -5.335 1.00 0.71 H new ATOM 0 HB2 LEU A 42 2.458 -4.335 -4.889 1.00 0.87 H new ATOM 0 HB3 LEU A 42 3.786 -3.197 -5.010 1.00 0.87 H new ATOM 0 HG LEU A 42 1.652 -2.738 -2.977 1.00 1.12 H new ATOM 0 HD11 LEU A 42 3.008 -4.168 -1.360 1.00 1.90 H new ATOM 0 HD12 LEU A 42 2.367 -5.139 -2.707 1.00 1.90 H new ATOM 0 HD13 LEU A 42 4.072 -4.631 -2.709 1.00 1.90 H new ATOM 0 HD21 LEU A 42 3.540 -1.851 -1.609 1.00 2.21 H new ATOM 0 HD22 LEU A 42 4.666 -2.262 -2.925 1.00 2.21 H new ATOM 0 HD23 LEU A 42 3.411 -1.027 -3.181 1.00 2.21 H new ATOM 621 N VAL A 43 3.184 -0.365 -6.097 1.00 0.70 N ATOM 622 CA VAL A 43 3.617 1.038 -6.017 1.00 0.72 C ATOM 623 C VAL A 43 2.723 1.948 -6.865 1.00 0.73 C ATOM 624 O VAL A 43 2.288 2.995 -6.381 1.00 0.84 O ATOM 625 CB VAL A 43 5.101 1.172 -6.415 1.00 0.85 C ATOM 626 CG1 VAL A 43 5.643 2.565 -6.084 1.00 1.11 C ATOM 627 CG2 VAL A 43 5.970 0.146 -5.672 1.00 1.17 C ATOM 0 H VAL A 43 3.743 -0.916 -6.748 1.00 0.70 H new ATOM 0 HA VAL A 43 3.516 1.364 -4.982 1.00 0.72 H new ATOM 0 HB VAL A 43 5.149 0.998 -7.490 1.00 0.85 H new ATOM 0 HG11 VAL A 43 6.691 2.627 -6.377 1.00 1.11 H new ATOM 0 HG12 VAL A 43 5.070 3.317 -6.627 1.00 1.11 H new ATOM 0 HG13 VAL A 43 5.554 2.745 -5.013 1.00 1.11 H new ATOM 0 HG21 VAL A 43 7.011 0.265 -5.973 1.00 1.17 H new ATOM 0 HG22 VAL A 43 5.883 0.306 -4.597 1.00 1.17 H new ATOM 0 HG23 VAL A 43 5.634 -0.861 -5.918 1.00 1.17 H new ATOM 637 N ARG A 44 2.368 1.523 -8.091 1.00 0.73 N ATOM 638 CA ARG A 44 1.359 2.202 -8.930 1.00 0.87 C ATOM 639 C ARG A 44 0.011 2.304 -8.206 1.00 0.84 C ATOM 640 O ARG A 44 -0.575 3.384 -8.150 1.00 1.01 O ATOM 641 CB ARG A 44 1.183 1.476 -10.279 1.00 0.94 C ATOM 642 CG ARG A 44 2.118 1.939 -11.412 1.00 2.10 C ATOM 643 CD ARG A 44 3.544 1.370 -11.380 1.00 3.49 C ATOM 644 NE ARG A 44 4.384 1.970 -10.333 1.00 5.29 N ATOM 645 CZ ARG A 44 5.061 3.130 -10.433 1.00 6.42 C ATOM 646 NH1 ARG A 44 5.014 3.886 -11.540 1.00 6.05 N ATOM 647 NH2 ARG A 44 5.800 3.541 -9.394 1.00 8.46 N ATOM 0 H ARG A 44 2.773 0.697 -8.531 1.00 0.73 H new ATOM 0 HA ARG A 44 1.722 3.212 -9.123 1.00 0.87 H new ATOM 0 HB2 ARG A 44 1.336 0.409 -10.119 1.00 0.94 H new ATOM 0 HB3 ARG A 44 0.152 1.604 -10.608 1.00 0.94 H new ATOM 0 HG2 ARG A 44 1.662 1.671 -12.365 1.00 2.10 H new ATOM 0 HG3 ARG A 44 2.181 3.027 -11.383 1.00 2.10 H new ATOM 0 HD2 ARG A 44 3.495 0.292 -11.224 1.00 3.49 H new ATOM 0 HD3 ARG A 44 4.014 1.530 -12.350 1.00 3.49 H new ATOM 0 HE ARG A 44 4.461 1.462 -9.452 1.00 5.29 H new ATOM 0 HH11 ARG A 44 4.454 3.587 -12.338 1.00 6.05 H new ATOM 0 HH12 ARG A 44 5.539 4.760 -11.584 1.00 6.05 H new ATOM 0 HH21 ARG A 44 5.843 2.978 -8.545 1.00 8.46 H new ATOM 0 HH22 ARG A 44 6.319 4.417 -9.452 1.00 8.46 H new ATOM 661 N TRP A 45 -0.437 1.204 -7.596 1.00 0.72 N ATOM 662 CA TRP A 45 -1.618 1.126 -6.733 1.00 0.70 C ATOM 663 C TRP A 45 -1.549 2.142 -5.589 1.00 0.83 C ATOM 664 O TRP A 45 -2.422 2.999 -5.501 1.00 1.05 O ATOM 665 CB TRP A 45 -1.768 -0.317 -6.218 1.00 0.63 C ATOM 666 CG TRP A 45 -2.560 -0.515 -4.960 1.00 0.64 C ATOM 667 CD1 TRP A 45 -2.033 -0.905 -3.776 1.00 0.90 C ATOM 668 CD2 TRP A 45 -3.995 -0.366 -4.727 1.00 0.66 C ATOM 669 NE1 TRP A 45 -3.038 -1.032 -2.837 1.00 1.05 N ATOM 670 CE2 TRP A 45 -4.269 -0.705 -3.365 1.00 0.94 C ATOM 671 CE3 TRP A 45 -5.096 0.013 -5.527 1.00 0.72 C ATOM 672 CZ2 TRP A 45 -5.567 -0.679 -2.829 1.00 1.17 C ATOM 673 CZ3 TRP A 45 -6.401 0.053 -4.996 1.00 0.99 C ATOM 674 CH2 TRP A 45 -6.638 -0.295 -3.654 1.00 1.18 C ATOM 0 H TRP A 45 0.034 0.305 -7.694 1.00 0.72 H new ATOM 0 HA TRP A 45 -2.504 1.386 -7.312 1.00 0.70 H new ATOM 0 HB2 TRP A 45 -2.231 -0.911 -7.006 1.00 0.63 H new ATOM 0 HB3 TRP A 45 -0.770 -0.724 -6.057 1.00 0.63 H new ATOM 0 HD1 TRP A 45 -0.985 -1.089 -3.593 1.00 0.90 H new ATOM 0 HE1 TRP A 45 -2.888 -1.330 -1.873 1.00 1.05 H new ATOM 0 HE3 TRP A 45 -4.935 0.276 -6.562 1.00 0.72 H new ATOM 0 HZ2 TRP A 45 -5.740 -0.950 -1.798 1.00 1.17 H new ATOM 0 HZ3 TRP A 45 -7.226 0.353 -5.625 1.00 0.99 H new ATOM 0 HH2 TRP A 45 -7.642 -0.267 -3.258 1.00 1.18 H new ATOM 685 N LEU A 46 -0.496 2.110 -4.762 1.00 0.79 N ATOM 686 CA LEU A 46 -0.360 2.986 -3.589 1.00 0.98 C ATOM 687 C LEU A 46 -0.394 4.486 -3.936 1.00 1.11 C ATOM 688 O LEU A 46 -0.926 5.288 -3.163 1.00 1.37 O ATOM 689 CB LEU A 46 0.940 2.605 -2.854 1.00 1.27 C ATOM 690 CG LEU A 46 1.237 3.426 -1.584 1.00 1.15 C ATOM 691 CD1 LEU A 46 0.131 3.307 -0.535 1.00 2.39 C ATOM 692 CD2 LEU A 46 2.541 2.937 -0.951 1.00 1.75 C ATOM 0 H LEU A 46 0.290 1.473 -4.888 1.00 0.79 H new ATOM 0 HA LEU A 46 -1.223 2.831 -2.942 1.00 0.98 H new ATOM 0 HB2 LEU A 46 0.890 1.550 -2.583 1.00 1.27 H new ATOM 0 HB3 LEU A 46 1.776 2.717 -3.544 1.00 1.27 H new ATOM 0 HG LEU A 46 1.308 4.469 -1.893 1.00 1.15 H new ATOM 0 HD11 LEU A 46 0.392 3.905 0.338 1.00 2.39 H new ATOM 0 HD12 LEU A 46 -0.808 3.668 -0.954 1.00 2.39 H new ATOM 0 HD13 LEU A 46 0.020 2.264 -0.240 1.00 2.39 H new ATOM 0 HD21 LEU A 46 2.750 3.518 -0.053 1.00 1.75 H new ATOM 0 HD22 LEU A 46 2.445 1.884 -0.687 1.00 1.75 H new ATOM 0 HD23 LEU A 46 3.359 3.060 -1.661 1.00 1.75 H new ATOM 704 N LYS A 47 0.139 4.868 -5.102 1.00 1.06 N ATOM 705 CA LYS A 47 0.210 6.260 -5.568 1.00 1.19 C ATOM 706 C LYS A 47 -1.149 6.825 -6.008 1.00 1.22 C ATOM 707 O LYS A 47 -1.318 8.043 -5.978 1.00 1.63 O ATOM 708 CB LYS A 47 1.281 6.339 -6.671 1.00 1.23 C ATOM 709 CG LYS A 47 1.680 7.781 -7.039 1.00 1.64 C ATOM 710 CD LYS A 47 2.941 7.836 -7.915 1.00 1.64 C ATOM 711 CE LYS A 47 2.726 7.121 -9.255 1.00 2.73 C ATOM 712 NZ LYS A 47 3.971 7.058 -10.050 1.00 3.07 N ATOM 0 H LYS A 47 0.542 4.204 -5.763 1.00 1.06 H new ATOM 0 HA LYS A 47 0.498 6.901 -4.735 1.00 1.19 H new ATOM 0 HB2 LYS A 47 2.168 5.797 -6.344 1.00 1.23 H new ATOM 0 HB3 LYS A 47 0.910 5.834 -7.563 1.00 1.23 H new ATOM 0 HG2 LYS A 47 0.854 8.260 -7.565 1.00 1.64 H new ATOM 0 HG3 LYS A 47 1.850 8.352 -6.126 1.00 1.64 H new ATOM 0 HD2 LYS A 47 3.215 8.875 -8.096 1.00 1.64 H new ATOM 0 HD3 LYS A 47 3.774 7.375 -7.385 1.00 1.64 H new ATOM 0 HE2 LYS A 47 2.359 6.111 -9.073 1.00 2.73 H new ATOM 0 HE3 LYS A 47 1.957 7.641 -9.825 1.00 2.73 H new ATOM 0 HZ1 LYS A 47 3.785 6.568 -10.948 1.00 3.07 H new ATOM 0 HZ2 LYS A 47 4.307 8.023 -10.245 1.00 3.07 H new ATOM 0 HZ3 LYS A 47 4.698 6.539 -9.517 1.00 3.07 H new ATOM 726 N VAL A 48 -2.118 5.971 -6.366 1.00 0.81 N ATOM 727 CA VAL A 48 -3.485 6.361 -6.784 1.00 0.65 C ATOM 728 C VAL A 48 -4.556 5.264 -6.515 1.00 0.51 C ATOM 729 O VAL A 48 -5.181 4.767 -7.460 1.00 0.56 O ATOM 730 CB VAL A 48 -3.508 6.801 -8.274 1.00 0.82 C ATOM 731 CG1 VAL A 48 -3.067 8.248 -8.510 1.00 2.15 C ATOM 732 CG2 VAL A 48 -2.677 5.897 -9.196 1.00 2.57 C ATOM 0 H VAL A 48 -1.976 4.961 -6.375 1.00 0.81 H new ATOM 0 HA VAL A 48 -3.758 7.211 -6.158 1.00 0.65 H new ATOM 0 HB VAL A 48 -4.564 6.709 -8.530 1.00 0.82 H new ATOM 0 HG11 VAL A 48 -3.112 8.473 -9.576 1.00 2.15 H new ATOM 0 HG12 VAL A 48 -3.729 8.923 -7.968 1.00 2.15 H new ATOM 0 HG13 VAL A 48 -2.045 8.379 -8.155 1.00 2.15 H new ATOM 0 HG21 VAL A 48 -2.740 6.265 -10.220 1.00 2.57 H new ATOM 0 HG22 VAL A 48 -1.637 5.904 -8.871 1.00 2.57 H new ATOM 0 HG23 VAL A 48 -3.064 4.879 -9.152 1.00 2.57 H new ATOM 742 N PRO A 49 -4.838 4.857 -5.256 1.00 0.55 N ATOM 743 CA PRO A 49 -5.721 3.723 -4.962 1.00 0.64 C ATOM 744 C PRO A 49 -7.206 3.968 -5.286 1.00 0.76 C ATOM 745 O PRO A 49 -7.958 3.009 -5.468 1.00 1.14 O ATOM 746 CB PRO A 49 -5.527 3.408 -3.470 1.00 0.82 C ATOM 747 CG PRO A 49 -4.255 4.148 -3.068 1.00 1.53 C ATOM 748 CD PRO A 49 -4.287 5.346 -4.007 1.00 0.71 C ATOM 0 HA PRO A 49 -5.449 2.887 -5.606 1.00 0.64 H new ATOM 0 HB2 PRO A 49 -6.381 3.744 -2.882 1.00 0.82 H new ATOM 0 HB3 PRO A 49 -5.428 2.335 -3.303 1.00 0.82 H new ATOM 0 HG2 PRO A 49 -4.270 4.448 -2.020 1.00 1.53 H new ATOM 0 HG3 PRO A 49 -3.363 3.538 -3.212 1.00 1.53 H new ATOM 0 HD2 PRO A 49 -4.901 6.148 -3.597 1.00 0.71 H new ATOM 0 HD3 PRO A 49 -3.287 5.754 -4.154 1.00 0.71 H new ATOM 756 N ASP A 50 -7.663 5.226 -5.364 1.00 0.69 N ATOM 757 CA ASP A 50 -9.027 5.554 -5.808 1.00 0.78 C ATOM 758 C ASP A 50 -9.113 5.740 -7.333 1.00 0.78 C ATOM 759 O ASP A 50 -10.085 5.288 -7.948 1.00 0.85 O ATOM 760 CB ASP A 50 -9.550 6.785 -5.051 1.00 0.97 C ATOM 761 CG ASP A 50 -11.018 7.077 -5.367 1.00 1.24 C ATOM 762 OD1 ASP A 50 -11.883 6.206 -5.113 1.00 2.47 O ATOM 763 OD2 ASP A 50 -11.323 8.183 -5.874 1.00 2.15 O ATOM 0 H ASP A 50 -7.101 6.042 -5.122 1.00 0.69 H new ATOM 0 HA ASP A 50 -9.670 4.707 -5.570 1.00 0.78 H new ATOM 0 HB2 ASP A 50 -9.436 6.626 -3.979 1.00 0.97 H new ATOM 0 HB3 ASP A 50 -8.945 7.653 -5.311 1.00 0.97 H new ATOM 768 N GLN A 51 -8.095 6.340 -7.967 1.00 0.79 N ATOM 769 CA GLN A 51 -8.099 6.550 -9.424 1.00 0.87 C ATOM 770 C GLN A 51 -7.866 5.241 -10.198 1.00 0.81 C ATOM 771 O GLN A 51 -8.525 5.022 -11.210 1.00 0.92 O ATOM 772 CB GLN A 51 -7.109 7.657 -9.839 1.00 1.01 C ATOM 773 CG GLN A 51 -7.547 8.322 -11.158 1.00 1.49 C ATOM 774 CD GLN A 51 -6.555 9.338 -11.729 1.00 1.88 C ATOM 775 OE1 GLN A 51 -5.497 9.631 -11.176 1.00 2.28 O ATOM 776 NE2 GLN A 51 -6.878 9.911 -12.866 1.00 3.03 N ATOM 0 H GLN A 51 -7.260 6.688 -7.496 1.00 0.79 H new ATOM 0 HA GLN A 51 -9.096 6.895 -9.696 1.00 0.87 H new ATOM 0 HB2 GLN A 51 -7.047 8.408 -9.052 1.00 1.01 H new ATOM 0 HB3 GLN A 51 -6.111 7.233 -9.955 1.00 1.01 H new ATOM 0 HG2 GLN A 51 -7.715 7.543 -11.902 1.00 1.49 H new ATOM 0 HG3 GLN A 51 -8.503 8.821 -10.996 1.00 1.49 H new ATOM 0 HE21 GLN A 51 -7.755 9.670 -13.327 1.00 3.03 H new ATOM 0 HE22 GLN A 51 -6.252 10.597 -13.287 1.00 3.03 H new ATOM 785 N MET A 52 -7.028 4.316 -9.704 1.00 0.71 N ATOM 786 CA MET A 52 -6.871 2.966 -10.275 1.00 0.71 C ATOM 787 C MET A 52 -8.190 2.177 -10.283 1.00 0.72 C ATOM 788 O MET A 52 -8.480 1.451 -11.234 1.00 0.78 O ATOM 789 CB MET A 52 -5.816 2.201 -9.459 1.00 0.65 C ATOM 790 CG MET A 52 -4.400 2.703 -9.756 1.00 1.94 C ATOM 791 SD MET A 52 -3.603 1.978 -11.213 1.00 2.02 S ATOM 792 CE MET A 52 -3.190 0.342 -10.548 1.00 1.12 C ATOM 0 H MET A 52 -6.435 4.484 -8.891 1.00 0.71 H new ATOM 0 HA MET A 52 -6.554 3.074 -11.312 1.00 0.71 H new ATOM 0 HB2 MET A 52 -6.027 2.313 -8.395 1.00 0.65 H new ATOM 0 HB3 MET A 52 -5.881 1.137 -9.687 1.00 0.65 H new ATOM 0 HG2 MET A 52 -4.437 3.785 -9.884 1.00 1.94 H new ATOM 0 HG3 MET A 52 -3.774 2.506 -8.886 1.00 1.94 H new ATOM 0 HE1 MET A 52 -2.551 -0.187 -11.255 1.00 1.12 H new ATOM 0 HE2 MET A 52 -2.665 0.457 -9.600 1.00 1.12 H new ATOM 0 HE3 MET A 52 -4.105 -0.228 -10.389 1.00 1.12 H new ATOM 802 N LEU A 53 -9.019 2.353 -9.250 1.00 0.74 N ATOM 803 CA LEU A 53 -10.338 1.726 -9.145 1.00 0.80 C ATOM 804 C LEU A 53 -11.388 2.408 -10.057 1.00 0.89 C ATOM 805 O LEU A 53 -12.306 1.744 -10.536 1.00 1.00 O ATOM 806 CB LEU A 53 -10.710 1.691 -7.646 1.00 0.88 C ATOM 807 CG LEU A 53 -11.879 0.760 -7.273 1.00 1.29 C ATOM 808 CD1 LEU A 53 -11.536 -0.717 -7.500 1.00 1.80 C ATOM 809 CD2 LEU A 53 -12.224 0.924 -5.787 1.00 2.46 C ATOM 0 H LEU A 53 -8.788 2.944 -8.452 1.00 0.74 H new ATOM 0 HA LEU A 53 -10.316 0.703 -9.520 1.00 0.80 H new ATOM 0 HB2 LEU A 53 -9.831 1.386 -7.079 1.00 0.88 H new ATOM 0 HB3 LEU A 53 -10.959 2.703 -7.328 1.00 0.88 H new ATOM 0 HG LEU A 53 -12.717 1.039 -7.912 1.00 1.29 H new ATOM 0 HD11 LEU A 53 -12.390 -1.335 -7.223 1.00 1.80 H new ATOM 0 HD12 LEU A 53 -11.297 -0.878 -8.551 1.00 1.80 H new ATOM 0 HD13 LEU A 53 -10.677 -0.989 -6.887 1.00 1.80 H new ATOM 0 HD21 LEU A 53 -13.052 0.263 -5.530 1.00 2.46 H new ATOM 0 HD22 LEU A 53 -11.354 0.669 -5.181 1.00 2.46 H new ATOM 0 HD23 LEU A 53 -12.511 1.957 -5.592 1.00 2.46 H new ATOM 821 N ALA A 54 -11.219 3.700 -10.372 1.00 0.90 N ATOM 822 CA ALA A 54 -12.035 4.437 -11.351 1.00 1.03 C ATOM 823 C ALA A 54 -11.636 4.163 -12.824 1.00 1.11 C ATOM 824 O ALA A 54 -12.502 4.107 -13.704 1.00 1.23 O ATOM 825 CB ALA A 54 -11.960 5.930 -11.014 1.00 1.11 C ATOM 0 H ALA A 54 -10.494 4.276 -9.944 1.00 0.90 H new ATOM 0 HA ALA A 54 -13.063 4.082 -11.273 1.00 1.03 H new ATOM 0 HB1 ALA A 54 -12.559 6.495 -11.729 1.00 1.11 H new ATOM 0 HB2 ALA A 54 -12.344 6.096 -10.008 1.00 1.11 H new ATOM 0 HB3 ALA A 54 -10.923 6.263 -11.066 1.00 1.11 H new ATOM 831 N GLU A 55 -10.343 3.949 -13.092 1.00 1.12 N ATOM 832 CA GLU A 55 -9.776 3.440 -14.357 1.00 1.16 C ATOM 833 C GLU A 55 -10.112 1.944 -14.567 1.00 1.17 C ATOM 834 O GLU A 55 -10.031 1.430 -15.688 1.00 1.28 O ATOM 835 CB GLU A 55 -8.250 3.700 -14.326 1.00 1.18 C ATOM 836 CG GLU A 55 -7.444 3.329 -15.591 1.00 1.94 C ATOM 837 CD GLU A 55 -6.777 4.542 -16.260 1.00 2.82 C ATOM 838 OE1 GLU A 55 -7.434 5.226 -17.081 1.00 4.08 O ATOM 839 OE2 GLU A 55 -5.586 4.839 -16.000 1.00 2.98 O ATOM 0 H GLU A 55 -9.620 4.135 -12.397 1.00 1.12 H new ATOM 0 HA GLU A 55 -10.217 3.961 -15.207 1.00 1.16 H new ATOM 0 HB2 GLU A 55 -8.092 4.759 -14.124 1.00 1.18 H new ATOM 0 HB3 GLU A 55 -7.831 3.149 -13.485 1.00 1.18 H new ATOM 0 HG2 GLU A 55 -6.677 2.601 -15.325 1.00 1.94 H new ATOM 0 HG3 GLU A 55 -8.107 2.846 -16.308 1.00 1.94 H new ATOM 846 N LYS A 56 -10.549 1.253 -13.503 1.00 1.23 N ATOM 847 CA LYS A 56 -10.836 -0.188 -13.442 1.00 1.27 C ATOM 848 C LYS A 56 -9.622 -1.052 -13.804 1.00 1.18 C ATOM 849 O LYS A 56 -9.747 -1.999 -14.576 1.00 1.54 O ATOM 850 CB LYS A 56 -12.109 -0.563 -14.233 1.00 1.67 C ATOM 851 CG LYS A 56 -13.360 0.229 -13.824 1.00 2.48 C ATOM 852 CD LYS A 56 -14.634 -0.248 -14.546 1.00 3.06 C ATOM 853 CE LYS A 56 -14.494 -0.141 -16.068 1.00 3.86 C ATOM 854 NZ LYS A 56 -15.789 -0.276 -16.769 1.00 4.54 N ATOM 0 H LYS A 56 -10.722 1.713 -12.609 1.00 1.23 H new ATOM 0 HA LYS A 56 -11.051 -0.418 -12.398 1.00 1.27 H new ATOM 0 HB2 LYS A 56 -11.923 -0.404 -15.295 1.00 1.67 H new ATOM 0 HB3 LYS A 56 -12.306 -1.627 -14.099 1.00 1.67 H new ATOM 0 HG2 LYS A 56 -13.504 0.140 -12.747 1.00 2.48 H new ATOM 0 HG3 LYS A 56 -13.201 1.286 -14.038 1.00 2.48 H new ATOM 0 HD2 LYS A 56 -14.843 -1.282 -14.271 1.00 3.06 H new ATOM 0 HD3 LYS A 56 -15.485 0.348 -14.216 1.00 3.06 H new ATOM 0 HE2 LYS A 56 -14.046 0.820 -16.321 1.00 3.86 H new ATOM 0 HE3 LYS A 56 -13.811 -0.914 -16.422 1.00 3.86 H new ATOM 0 HZ1 LYS A 56 -15.638 -0.196 -17.795 1.00 4.54 H new ATOM 0 HZ2 LYS A 56 -16.207 -1.203 -16.551 1.00 4.54 H new ATOM 0 HZ3 LYS A 56 -16.434 0.477 -16.454 1.00 4.54 H new ATOM 868 N ASP A 57 -8.457 -0.741 -13.236 1.00 1.15 N ATOM 869 CA ASP A 57 -7.290 -1.628 -13.235 1.00 1.12 C ATOM 870 C ASP A 57 -7.722 -2.921 -12.541 1.00 1.13 C ATOM 871 O ASP A 57 -8.107 -2.911 -11.368 1.00 1.13 O ATOM 872 CB ASP A 57 -6.083 -0.980 -12.541 1.00 1.08 C ATOM 873 CG ASP A 57 -4.833 -1.853 -12.705 1.00 1.26 C ATOM 874 OD1 ASP A 57 -4.665 -2.831 -11.940 1.00 1.79 O ATOM 875 OD2 ASP A 57 -4.037 -1.586 -13.634 1.00 2.22 O ATOM 0 H ASP A 57 -8.293 0.145 -12.757 1.00 1.15 H new ATOM 0 HA ASP A 57 -6.961 -1.833 -14.254 1.00 1.12 H new ATOM 0 HB2 ASP A 57 -5.901 0.008 -12.964 1.00 1.08 H new ATOM 0 HB3 ASP A 57 -6.298 -0.839 -11.482 1.00 1.08 H new ATOM 880 N PRO A 58 -7.811 -4.024 -13.288 1.00 1.20 N ATOM 881 CA PRO A 58 -8.724 -5.102 -12.916 1.00 1.40 C ATOM 882 C PRO A 58 -8.218 -5.992 -11.780 1.00 1.43 C ATOM 883 O PRO A 58 -9.012 -6.636 -11.090 1.00 2.08 O ATOM 884 CB PRO A 58 -8.950 -5.810 -14.235 1.00 1.62 C ATOM 885 CG PRO A 58 -7.653 -5.601 -15.012 1.00 1.49 C ATOM 886 CD PRO A 58 -7.356 -4.166 -14.666 1.00 1.27 C ATOM 0 HA PRO A 58 -9.654 -4.743 -12.475 1.00 1.40 H new ATOM 0 HB2 PRO A 58 -9.156 -6.870 -14.086 1.00 1.62 H new ATOM 0 HB3 PRO A 58 -9.803 -5.391 -14.768 1.00 1.62 H new ATOM 0 HG2 PRO A 58 -6.862 -6.278 -14.689 1.00 1.49 H new ATOM 0 HG3 PRO A 58 -7.783 -5.751 -16.084 1.00 1.49 H new ATOM 0 HD2 PRO A 58 -6.292 -3.947 -14.758 1.00 1.27 H new ATOM 0 HD3 PRO A 58 -7.881 -3.480 -15.331 1.00 1.27 H new ATOM 894 N LEU A 59 -6.916 -5.948 -11.514 1.00 1.12 N ATOM 895 CA LEU A 59 -6.338 -6.445 -10.261 1.00 1.07 C ATOM 896 C LEU A 59 -6.754 -5.590 -9.045 1.00 1.04 C ATOM 897 O LEU A 59 -7.017 -6.146 -7.984 1.00 1.07 O ATOM 898 CB LEU A 59 -4.809 -6.554 -10.405 1.00 1.00 C ATOM 899 CG LEU A 59 -4.073 -7.156 -9.191 1.00 1.10 C ATOM 900 CD1 LEU A 59 -4.596 -8.537 -8.797 1.00 1.40 C ATOM 901 CD2 LEU A 59 -2.591 -7.305 -9.534 1.00 1.56 C ATOM 0 H LEU A 59 -6.226 -5.566 -12.161 1.00 1.12 H new ATOM 0 HA LEU A 59 -6.737 -7.441 -10.067 1.00 1.07 H new ATOM 0 HB2 LEU A 59 -4.586 -7.162 -11.282 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -4.407 -5.559 -10.596 1.00 1.00 H new ATOM 0 HG LEU A 59 -4.240 -6.478 -8.354 1.00 1.10 H new ATOM 0 HD11 LEU A 59 -4.037 -8.906 -7.937 1.00 1.40 H new ATOM 0 HD12 LEU A 59 -5.653 -8.466 -8.540 1.00 1.40 H new ATOM 0 HD13 LEU A 59 -4.471 -9.225 -9.633 1.00 1.40 H new ATOM 0 HD21 LEU A 59 -2.061 -7.730 -8.682 1.00 1.56 H new ATOM 0 HD22 LEU A 59 -2.481 -7.964 -10.395 1.00 1.56 H new ATOM 0 HD23 LEU A 59 -2.172 -6.327 -9.770 1.00 1.56 H new ATOM 913 N ALA A 60 -6.913 -4.269 -9.179 1.00 1.05 N ATOM 914 CA ALA A 60 -7.487 -3.445 -8.108 1.00 1.08 C ATOM 915 C ALA A 60 -8.988 -3.707 -7.918 1.00 1.13 C ATOM 916 O ALA A 60 -9.452 -3.795 -6.782 1.00 1.22 O ATOM 917 CB ALA A 60 -7.220 -1.962 -8.355 1.00 1.09 C ATOM 0 H ALA A 60 -6.653 -3.748 -10.016 1.00 1.05 H new ATOM 0 HA ALA A 60 -6.990 -3.734 -7.182 1.00 1.08 H new ATOM 0 HB1 ALA A 60 -7.656 -1.374 -7.547 1.00 1.09 H new ATOM 0 HB2 ALA A 60 -6.145 -1.787 -8.392 1.00 1.09 H new ATOM 0 HB3 ALA A 60 -7.669 -1.664 -9.303 1.00 1.09 H new ATOM 923 N MET A 61 -9.743 -3.909 -9.005 1.00 1.08 N ATOM 924 CA MET A 61 -11.154 -4.314 -8.950 1.00 1.05 C ATOM 925 C MET A 61 -11.363 -5.620 -8.162 1.00 1.04 C ATOM 926 O MET A 61 -12.411 -5.799 -7.543 1.00 1.08 O ATOM 927 CB MET A 61 -11.702 -4.484 -10.375 1.00 1.05 C ATOM 928 CG MET A 61 -11.619 -3.209 -11.227 1.00 1.19 C ATOM 929 SD MET A 61 -12.745 -1.888 -10.729 1.00 1.81 S ATOM 930 CE MET A 61 -14.285 -2.624 -11.315 1.00 2.02 C ATOM 0 H MET A 61 -9.389 -3.795 -9.955 1.00 1.08 H new ATOM 0 HA MET A 61 -11.694 -3.525 -8.427 1.00 1.05 H new ATOM 0 HB2 MET A 61 -11.149 -5.280 -10.874 1.00 1.05 H new ATOM 0 HB3 MET A 61 -12.742 -4.805 -10.318 1.00 1.05 H new ATOM 0 HG2 MET A 61 -10.598 -2.830 -11.189 1.00 1.19 H new ATOM 0 HG3 MET A 61 -11.824 -3.469 -12.265 1.00 1.19 H new ATOM 0 HE1 MET A 61 -15.059 -1.858 -11.363 1.00 2.02 H new ATOM 0 HE2 MET A 61 -14.131 -3.047 -12.308 1.00 2.02 H new ATOM 0 HE3 MET A 61 -14.596 -3.412 -10.629 1.00 2.02 H new ATOM 940 N LEU A 62 -10.374 -6.520 -8.156 1.00 1.04 N ATOM 941 CA LEU A 62 -10.306 -7.704 -7.300 1.00 1.11 C ATOM 942 C LEU A 62 -9.878 -7.356 -5.865 1.00 1.22 C ATOM 943 O LEU A 62 -10.557 -7.727 -4.906 1.00 1.41 O ATOM 944 CB LEU A 62 -9.312 -8.661 -7.977 1.00 1.16 C ATOM 945 CG LEU A 62 -9.392 -10.123 -7.514 1.00 1.49 C ATOM 946 CD1 LEU A 62 -8.715 -11.032 -8.542 1.00 1.99 C ATOM 947 CD2 LEU A 62 -8.709 -10.371 -6.166 1.00 3.05 C ATOM 0 H LEU A 62 -9.567 -6.438 -8.774 1.00 1.04 H new ATOM 0 HA LEU A 62 -11.288 -8.166 -7.197 1.00 1.11 H new ATOM 0 HB2 LEU A 62 -9.477 -8.628 -9.054 1.00 1.16 H new ATOM 0 HB3 LEU A 62 -8.301 -8.295 -7.798 1.00 1.16 H new ATOM 0 HG LEU A 62 -10.454 -10.344 -7.409 1.00 1.49 H new ATOM 0 HD11 LEU A 62 -8.775 -12.068 -8.207 1.00 1.99 H new ATOM 0 HD12 LEU A 62 -9.218 -10.931 -9.504 1.00 1.99 H new ATOM 0 HD13 LEU A 62 -7.669 -10.745 -8.648 1.00 1.99 H new ATOM 0 HD21 LEU A 62 -8.803 -11.424 -5.899 1.00 3.05 H new ATOM 0 HD22 LEU A 62 -7.654 -10.108 -6.239 1.00 3.05 H new ATOM 0 HD23 LEU A 62 -9.184 -9.758 -5.399 1.00 3.05 H new ATOM 959 N LEU A 63 -8.758 -6.643 -5.709 1.00 1.20 N ATOM 960 CA LEU A 63 -8.069 -6.432 -4.434 1.00 1.39 C ATOM 961 C LEU A 63 -8.859 -5.509 -3.492 1.00 1.55 C ATOM 962 O LEU A 63 -8.784 -5.650 -2.274 1.00 1.86 O ATOM 963 CB LEU A 63 -6.661 -5.921 -4.822 1.00 1.48 C ATOM 964 CG LEU A 63 -5.623 -5.581 -3.740 1.00 1.42 C ATOM 965 CD1 LEU A 63 -5.826 -4.179 -3.162 1.00 2.70 C ATOM 966 CD2 LEU A 63 -5.565 -6.635 -2.640 1.00 1.79 C ATOM 0 H LEU A 63 -8.292 -6.183 -6.491 1.00 1.20 H new ATOM 0 HA LEU A 63 -7.983 -7.344 -3.844 1.00 1.39 H new ATOM 0 HB2 LEU A 63 -6.214 -6.675 -5.470 1.00 1.48 H new ATOM 0 HB3 LEU A 63 -6.800 -5.024 -5.426 1.00 1.48 H new ATOM 0 HG LEU A 63 -4.654 -5.586 -4.238 1.00 1.42 H new ATOM 0 HD11 LEU A 63 -5.069 -3.986 -2.402 1.00 2.70 H new ATOM 0 HD12 LEU A 63 -5.737 -3.441 -3.959 1.00 2.70 H new ATOM 0 HD13 LEU A 63 -6.817 -4.111 -2.713 1.00 2.70 H new ATOM 0 HD21 LEU A 63 -4.817 -6.349 -1.901 1.00 1.79 H new ATOM 0 HD22 LEU A 63 -6.540 -6.713 -2.159 1.00 1.79 H new ATOM 0 HD23 LEU A 63 -5.296 -7.599 -3.073 1.00 1.79 H new ATOM 978 N PHE A 64 -9.679 -4.608 -4.032 1.00 1.38 N ATOM 979 CA PHE A 64 -10.631 -3.840 -3.217 1.00 1.35 C ATOM 980 C PHE A 64 -11.826 -4.705 -2.762 1.00 1.22 C ATOM 981 O PHE A 64 -12.312 -4.551 -1.642 1.00 1.37 O ATOM 982 CB PHE A 64 -11.065 -2.550 -3.950 1.00 1.35 C ATOM 983 CG PHE A 64 -12.558 -2.438 -4.202 1.00 1.16 C ATOM 984 CD1 PHE A 64 -13.135 -3.081 -5.311 1.00 1.84 C ATOM 985 CD2 PHE A 64 -13.381 -1.785 -3.268 1.00 2.41 C ATOM 986 CE1 PHE A 64 -14.532 -3.082 -5.475 1.00 1.76 C ATOM 987 CE2 PHE A 64 -14.774 -1.770 -3.441 1.00 2.48 C ATOM 988 CZ PHE A 64 -15.352 -2.420 -4.544 1.00 1.17 C ATOM 0 H PHE A 64 -9.706 -4.389 -5.028 1.00 1.38 H new ATOM 0 HA PHE A 64 -10.124 -3.531 -2.303 1.00 1.35 H new ATOM 0 HB2 PHE A 64 -10.743 -1.689 -3.364 1.00 1.35 H new ATOM 0 HB3 PHE A 64 -10.544 -2.498 -4.906 1.00 1.35 H new ATOM 0 HD1 PHE A 64 -12.506 -3.574 -6.037 1.00 1.84 H new ATOM 0 HD2 PHE A 64 -12.940 -1.293 -2.414 1.00 2.41 H new ATOM 0 HE1 PHE A 64 -14.976 -3.592 -6.317 1.00 1.76 H new ATOM 0 HE2 PHE A 64 -15.401 -1.259 -2.726 1.00 2.48 H new ATOM 0 HZ PHE A 64 -16.424 -2.411 -4.677 1.00 1.17 H new ATOM 998 N GLU A 65 -12.308 -5.601 -3.630 1.00 1.10 N ATOM 999 CA GLU A 65 -13.544 -6.352 -3.484 1.00 1.25 C ATOM 1000 C GLU A 65 -13.390 -7.510 -2.489 1.00 1.29 C ATOM 1001 O GLU A 65 -14.179 -7.632 -1.550 1.00 1.53 O ATOM 1002 CB GLU A 65 -13.934 -6.802 -4.907 1.00 1.38 C ATOM 1003 CG GLU A 65 -15.023 -7.863 -4.949 1.00 1.33 C ATOM 1004 CD GLU A 65 -15.587 -8.040 -6.368 1.00 1.85 C ATOM 1005 OE1 GLU A 65 -15.061 -8.876 -7.146 1.00 2.87 O ATOM 1006 OE2 GLU A 65 -16.565 -7.342 -6.732 1.00 2.53 O ATOM 0 H GLU A 65 -11.816 -5.828 -4.494 1.00 1.10 H new ATOM 0 HA GLU A 65 -14.342 -5.746 -3.056 1.00 1.25 H new ATOM 0 HB2 GLU A 65 -14.268 -5.932 -5.472 1.00 1.38 H new ATOM 0 HB3 GLU A 65 -13.047 -7.188 -5.410 1.00 1.38 H new ATOM 0 HG2 GLU A 65 -14.620 -8.812 -4.596 1.00 1.33 H new ATOM 0 HG3 GLU A 65 -15.828 -7.586 -4.269 1.00 1.33 H new ATOM 1013 N GLN A 66 -12.350 -8.331 -2.651 1.00 1.23 N ATOM 1014 CA GLN A 66 -12.183 -9.620 -1.961 1.00 1.41 C ATOM 1015 C GLN A 66 -11.700 -9.536 -0.500 1.00 1.26 C ATOM 1016 O GLN A 66 -11.492 -10.561 0.157 1.00 1.57 O ATOM 1017 CB GLN A 66 -11.293 -10.532 -2.820 1.00 1.77 C ATOM 1018 CG GLN A 66 -11.970 -10.951 -4.140 1.00 2.88 C ATOM 1019 CD GLN A 66 -13.258 -11.770 -3.989 1.00 3.71 C ATOM 1020 OE1 GLN A 66 -13.687 -12.191 -2.917 1.00 4.01 O ATOM 1021 NE2 GLN A 66 -13.947 -12.014 -5.076 1.00 4.91 N ATOM 0 H GLN A 66 -11.578 -8.115 -3.282 1.00 1.23 H new ATOM 0 HA GLN A 66 -13.179 -10.051 -1.859 1.00 1.41 H new ATOM 0 HB2 GLN A 66 -10.359 -10.016 -3.043 1.00 1.77 H new ATOM 0 HB3 GLN A 66 -11.036 -11.424 -2.249 1.00 1.77 H new ATOM 0 HG2 GLN A 66 -12.197 -10.052 -4.713 1.00 2.88 H new ATOM 0 HG3 GLN A 66 -11.257 -11.532 -4.726 1.00 2.88 H new ATOM 0 HE21 GLN A 66 -13.613 -11.676 -5.978 1.00 4.91 H new ATOM 0 HE22 GLN A 66 -14.818 -12.542 -5.020 1.00 4.91 H new ATOM 1030 N TYR A 67 -11.583 -8.316 0.020 1.00 1.07 N ATOM 1031 CA TYR A 67 -11.300 -7.996 1.421 1.00 1.11 C ATOM 1032 C TYR A 67 -12.431 -7.122 2.001 1.00 1.12 C ATOM 1033 O TYR A 67 -12.232 -6.008 2.494 1.00 1.43 O ATOM 1034 CB TYR A 67 -9.870 -7.447 1.534 1.00 1.11 C ATOM 1035 CG TYR A 67 -8.826 -8.449 1.049 1.00 1.41 C ATOM 1036 CD1 TYR A 67 -8.338 -9.443 1.921 1.00 2.10 C ATOM 1037 CD2 TYR A 67 -8.377 -8.419 -0.288 1.00 2.79 C ATOM 1038 CE1 TYR A 67 -7.403 -10.391 1.459 1.00 2.31 C ATOM 1039 CE2 TYR A 67 -7.429 -9.354 -0.750 1.00 3.24 C ATOM 1040 CZ TYR A 67 -6.949 -10.348 0.123 1.00 2.38 C ATOM 1041 OH TYR A 67 -6.047 -11.266 -0.321 1.00 2.92 O ATOM 0 H TYR A 67 -11.688 -7.479 -0.553 1.00 1.07 H new ATOM 0 HA TYR A 67 -11.306 -8.881 2.057 1.00 1.11 H new ATOM 0 HB2 TYR A 67 -9.788 -6.529 0.951 1.00 1.11 H new ATOM 0 HB3 TYR A 67 -9.665 -7.185 2.572 1.00 1.11 H new ATOM 0 HD1 TYR A 67 -8.681 -9.478 2.944 1.00 2.10 H new ATOM 0 HD2 TYR A 67 -8.764 -7.672 -0.965 1.00 2.79 H new ATOM 0 HE1 TYR A 67 -7.033 -11.153 2.129 1.00 2.31 H new ATOM 0 HE2 TYR A 67 -7.073 -9.308 -1.769 1.00 3.24 H new ATOM 0 HH TYR A 67 -5.842 -11.094 -1.264 1.00 2.92 H new ATOM 1051 N ASN A 68 -13.654 -7.657 1.873 1.00 1.18 N ATOM 1052 CA ASN A 68 -14.940 -7.118 2.335 1.00 1.30 C ATOM 1053 C ASN A 68 -15.374 -5.768 1.716 1.00 1.08 C ATOM 1054 O ASN A 68 -16.071 -4.980 2.363 1.00 1.10 O ATOM 1055 CB ASN A 68 -14.993 -7.173 3.876 1.00 1.62 C ATOM 1056 CG ASN A 68 -16.401 -7.259 4.437 1.00 2.29 C ATOM 1057 OD1 ASN A 68 -17.369 -7.574 3.751 1.00 2.86 O ATOM 1058 ND2 ASN A 68 -16.565 -7.019 5.711 1.00 2.56 N ATOM 0 H ASN A 68 -13.778 -8.554 1.404 1.00 1.18 H new ATOM 0 HA ASN A 68 -15.719 -7.771 1.940 1.00 1.30 H new ATOM 0 HB2 ASN A 68 -14.422 -8.035 4.220 1.00 1.62 H new ATOM 0 HB3 ASN A 68 -14.505 -6.286 4.279 1.00 1.62 H new ATOM 0 HD21 ASN A 68 -17.492 -7.094 6.129 1.00 2.56 H new ATOM 0 HD22 ASN A 68 -15.766 -6.757 6.288 1.00 2.56 H new ATOM 1065 N ARG A 69 -14.976 -5.499 0.462 1.00 1.01 N ATOM 1066 CA ARG A 69 -15.263 -4.264 -0.307 1.00 0.95 C ATOM 1067 C ARG A 69 -14.809 -2.952 0.362 1.00 0.84 C ATOM 1068 O ARG A 69 -15.286 -1.884 -0.013 1.00 1.43 O ATOM 1069 CB ARG A 69 -16.745 -4.223 -0.743 1.00 1.30 C ATOM 1070 CG ARG A 69 -17.224 -5.506 -1.445 1.00 1.63 C ATOM 1071 CD ARG A 69 -18.681 -5.384 -1.912 1.00 1.91 C ATOM 1072 NE ARG A 69 -18.826 -4.465 -3.053 1.00 2.29 N ATOM 1073 CZ ARG A 69 -18.778 -4.813 -4.352 1.00 3.10 C ATOM 1074 NH1 ARG A 69 -18.597 -6.084 -4.740 1.00 3.60 N ATOM 1075 NH2 ARG A 69 -18.916 -3.863 -5.288 1.00 4.45 N ATOM 0 H ARG A 69 -14.419 -6.164 -0.074 1.00 1.01 H new ATOM 0 HA ARG A 69 -14.638 -4.324 -1.198 1.00 0.95 H new ATOM 0 HB2 ARG A 69 -17.367 -4.047 0.135 1.00 1.30 H new ATOM 0 HB3 ARG A 69 -16.893 -3.377 -1.414 1.00 1.30 H new ATOM 0 HG2 ARG A 69 -16.583 -5.714 -2.302 1.00 1.63 H new ATOM 0 HG3 ARG A 69 -17.129 -6.351 -0.764 1.00 1.63 H new ATOM 0 HD2 ARG A 69 -19.054 -6.369 -2.192 1.00 1.91 H new ATOM 0 HD3 ARG A 69 -19.297 -5.033 -1.085 1.00 1.91 H new ATOM 0 HE ARG A 69 -18.976 -3.479 -2.840 1.00 2.29 H new ATOM 0 HH11 ARG A 69 -18.491 -6.820 -4.042 1.00 3.60 H new ATOM 0 HH12 ARG A 69 -18.565 -6.314 -5.733 1.00 3.60 H new ATOM 0 HH21 ARG A 69 -19.055 -2.891 -5.012 1.00 4.45 H new ATOM 0 HH22 ARG A 69 -18.882 -4.112 -6.276 1.00 4.45 H new ATOM 1089 N LEU A 70 -13.907 -2.999 1.345 1.00 0.83 N ATOM 1090 CA LEU A 70 -13.648 -1.884 2.277 1.00 1.04 C ATOM 1091 C LEU A 70 -13.062 -0.619 1.603 1.00 1.16 C ATOM 1092 O LEU A 70 -13.318 0.494 2.072 1.00 2.20 O ATOM 1093 CB LEU A 70 -12.794 -2.463 3.428 1.00 1.29 C ATOM 1094 CG LEU A 70 -12.607 -1.656 4.734 1.00 1.65 C ATOM 1095 CD1 LEU A 70 -11.492 -0.612 4.669 1.00 2.52 C ATOM 1096 CD2 LEU A 70 -13.889 -0.991 5.231 1.00 2.31 C ATOM 0 H LEU A 70 -13.326 -3.818 1.523 1.00 0.83 H new ATOM 0 HA LEU A 70 -14.585 -1.496 2.676 1.00 1.04 H new ATOM 0 HB2 LEU A 70 -13.227 -3.425 3.701 1.00 1.29 H new ATOM 0 HB3 LEU A 70 -11.801 -2.663 3.026 1.00 1.29 H new ATOM 0 HG LEU A 70 -12.311 -2.420 5.453 1.00 1.65 H new ATOM 0 HD11 LEU A 70 -11.426 -0.090 5.624 1.00 2.52 H new ATOM 0 HD12 LEU A 70 -10.543 -1.106 4.459 1.00 2.52 H new ATOM 0 HD13 LEU A 70 -11.711 0.105 3.878 1.00 2.52 H new ATOM 0 HD21 LEU A 70 -13.682 -0.443 6.150 1.00 2.31 H new ATOM 0 HD22 LEU A 70 -14.259 -0.301 4.473 1.00 2.31 H new ATOM 0 HD23 LEU A 70 -14.643 -1.754 5.425 1.00 2.31 H new ATOM 1108 N ALA A 71 -12.389 -0.777 0.453 1.00 0.97 N ATOM 1109 CA ALA A 71 -11.698 0.270 -0.323 1.00 0.91 C ATOM 1110 C ALA A 71 -10.485 0.904 0.410 1.00 1.23 C ATOM 1111 O ALA A 71 -10.143 0.517 1.532 1.00 2.58 O ATOM 1112 CB ALA A 71 -12.718 1.297 -0.846 1.00 1.25 C ATOM 0 H ALA A 71 -12.306 -1.693 0.012 1.00 0.97 H new ATOM 0 HA ALA A 71 -11.239 -0.210 -1.187 1.00 0.91 H new ATOM 0 HB1 ALA A 71 -12.199 2.066 -1.418 1.00 1.25 H new ATOM 0 HB2 ALA A 71 -13.443 0.796 -1.487 1.00 1.25 H new ATOM 0 HB3 ALA A 71 -13.235 1.757 -0.004 1.00 1.25 H new ATOM 1118 N MET A 72 -9.781 1.838 -0.246 1.00 0.55 N ATOM 1119 CA MET A 72 -8.600 2.521 0.309 1.00 0.74 C ATOM 1120 C MET A 72 -8.373 3.917 -0.321 1.00 0.73 C ATOM 1121 O MET A 72 -8.424 4.029 -1.548 1.00 0.61 O ATOM 1122 CB MET A 72 -7.369 1.615 0.100 1.00 1.12 C ATOM 1123 CG MET A 72 -6.033 2.294 0.421 1.00 0.85 C ATOM 1124 SD MET A 72 -4.658 1.121 0.591 1.00 0.95 S ATOM 1125 CE MET A 72 -3.294 2.162 0.019 1.00 1.31 C ATOM 0 H MET A 72 -10.018 2.145 -1.189 1.00 0.55 H new ATOM 0 HA MET A 72 -8.765 2.694 1.372 1.00 0.74 H new ATOM 0 HB2 MET A 72 -7.473 0.728 0.725 1.00 1.12 H new ATOM 0 HB3 MET A 72 -7.352 1.275 -0.936 1.00 1.12 H new ATOM 0 HG2 MET A 72 -5.797 3.009 -0.368 1.00 0.85 H new ATOM 0 HG3 MET A 72 -6.134 2.862 1.346 1.00 0.85 H new ATOM 0 HE1 MET A 72 -2.366 1.590 0.041 1.00 1.31 H new ATOM 0 HE2 MET A 72 -3.492 2.494 -1.000 1.00 1.31 H new ATOM 0 HE3 MET A 72 -3.200 3.030 0.671 1.00 1.31 H new ATOM 1135 N PRO A 73 -8.063 4.962 0.472 1.00 1.03 N ATOM 1136 CA PRO A 73 -7.641 6.280 -0.022 1.00 1.26 C ATOM 1137 C PRO A 73 -6.118 6.381 -0.260 1.00 1.39 C ATOM 1138 O PRO A 73 -5.337 5.626 0.323 1.00 1.41 O ATOM 1139 CB PRO A 73 -8.091 7.248 1.078 1.00 1.51 C ATOM 1140 CG PRO A 73 -7.889 6.429 2.353 1.00 1.52 C ATOM 1141 CD PRO A 73 -8.249 5.010 1.920 1.00 1.22 C ATOM 0 HA PRO A 73 -8.080 6.497 -0.996 1.00 1.26 H new ATOM 0 HB2 PRO A 73 -7.493 8.160 1.084 1.00 1.51 H new ATOM 0 HB3 PRO A 73 -9.131 7.549 0.951 1.00 1.51 H new ATOM 0 HG2 PRO A 73 -6.862 6.491 2.713 1.00 1.52 H new ATOM 0 HG3 PRO A 73 -8.532 6.778 3.161 1.00 1.52 H new ATOM 0 HD2 PRO A 73 -7.612 4.279 2.418 1.00 1.22 H new ATOM 0 HD3 PRO A 73 -9.278 4.771 2.188 1.00 1.22 H new ATOM 1149 N ASN A 74 -5.681 7.363 -1.060 1.00 1.59 N ATOM 1150 CA ASN A 74 -4.268 7.758 -1.204 1.00 1.82 C ATOM 1151 C ASN A 74 -3.742 8.588 -0.013 1.00 2.12 C ATOM 1152 O ASN A 74 -2.533 8.625 0.224 1.00 3.97 O ATOM 1153 CB ASN A 74 -4.116 8.559 -2.514 1.00 1.91 C ATOM 1154 CG ASN A 74 -2.697 9.008 -2.810 1.00 2.28 C ATOM 1155 OD1 ASN A 74 -2.398 10.190 -2.843 1.00 1.86 O ATOM 1156 ND2 ASN A 74 -1.781 8.107 -3.064 1.00 3.65 N ATOM 0 H ASN A 74 -6.311 7.918 -1.639 1.00 1.59 H new ATOM 0 HA ASN A 74 -3.669 6.848 -1.227 1.00 1.82 H new ATOM 0 HB2 ASN A 74 -4.472 7.948 -3.343 1.00 1.91 H new ATOM 0 HB3 ASN A 74 -4.760 9.437 -2.466 1.00 1.91 H new ATOM 0 HD21 ASN A 74 -0.829 8.397 -3.287 1.00 3.65 H new ATOM 0 HD22 ASN A 74 -2.020 7.116 -3.039 1.00 3.65 H new ATOM 1163 N MET A 75 -4.622 9.270 0.729 1.00 1.25 N ATOM 1164 CA MET A 75 -4.274 10.304 1.711 1.00 1.24 C ATOM 1165 C MET A 75 -3.477 11.450 1.061 1.00 1.17 C ATOM 1166 O MET A 75 -4.081 12.380 0.529 1.00 2.09 O ATOM 1167 CB MET A 75 -3.634 9.715 2.987 1.00 1.46 C ATOM 1168 CG MET A 75 -4.433 8.563 3.614 1.00 1.62 C ATOM 1169 SD MET A 75 -6.142 8.944 4.090 1.00 2.74 S ATOM 1170 CE MET A 75 -5.851 10.096 5.458 1.00 3.55 C ATOM 0 H MET A 75 -5.627 9.113 0.661 1.00 1.25 H new ATOM 0 HA MET A 75 -5.200 10.759 2.064 1.00 1.24 H new ATOM 0 HB2 MET A 75 -2.632 9.360 2.747 1.00 1.46 H new ATOM 0 HB3 MET A 75 -3.523 10.510 3.725 1.00 1.46 H new ATOM 0 HG2 MET A 75 -4.450 7.733 2.908 1.00 1.62 H new ATOM 0 HG3 MET A 75 -3.899 8.217 4.499 1.00 1.62 H new ATOM 0 HE1 MET A 75 -6.802 10.358 5.922 1.00 3.55 H new ATOM 0 HE2 MET A 75 -5.204 9.626 6.198 1.00 3.55 H new ATOM 0 HE3 MET A 75 -5.372 10.998 5.078 1.00 3.55 H new ATOM 1180 N ARG A 76 -2.137 11.379 1.072 1.00 1.86 N ATOM 1181 CA ARG A 76 -1.194 12.328 0.434 1.00 1.92 C ATOM 1182 C ARG A 76 0.023 11.624 -0.201 1.00 1.63 C ATOM 1183 O ARG A 76 1.097 12.215 -0.332 1.00 2.08 O ATOM 1184 CB ARG A 76 -0.755 13.408 1.451 1.00 2.91 C ATOM 1185 CG ARG A 76 -1.891 14.352 1.894 1.00 3.64 C ATOM 1186 CD ARG A 76 -1.418 15.443 2.866 1.00 5.11 C ATOM 1187 NE ARG A 76 -0.396 16.327 2.279 1.00 5.73 N ATOM 1188 CZ ARG A 76 -0.620 17.489 1.640 1.00 6.13 C ATOM 1189 NH1 ARG A 76 -1.859 17.974 1.461 1.00 5.96 N ATOM 1190 NH2 ARG A 76 0.426 18.183 1.168 1.00 7.23 N ATOM 0 H ARG A 76 -1.650 10.620 1.550 1.00 1.86 H new ATOM 0 HA ARG A 76 -1.724 12.812 -0.387 1.00 1.92 H new ATOM 0 HB2 ARG A 76 -0.341 12.916 2.331 1.00 2.91 H new ATOM 0 HB3 ARG A 76 0.046 14.002 1.011 1.00 2.91 H new ATOM 0 HG2 ARG A 76 -2.330 14.822 1.014 1.00 3.64 H new ATOM 0 HG3 ARG A 76 -2.679 13.767 2.368 1.00 3.64 H new ATOM 0 HD2 ARG A 76 -2.274 16.042 3.177 1.00 5.11 H new ATOM 0 HD3 ARG A 76 -1.014 14.974 3.763 1.00 5.11 H new ATOM 0 HE ARG A 76 0.576 16.029 2.366 1.00 5.73 H new ATOM 0 HH11 ARG A 76 -2.665 17.458 1.814 1.00 5.96 H new ATOM 0 HH12 ARG A 76 -1.995 18.859 0.972 1.00 5.96 H new ATOM 0 HH21 ARG A 76 1.373 17.828 1.296 1.00 7.23 H new ATOM 0 HH22 ARG A 76 0.274 19.066 0.681 1.00 7.23 H new ATOM 1204 N LEU A 77 -0.110 10.345 -0.567 1.00 1.56 N ATOM 1205 CA LEU A 77 0.977 9.512 -1.113 1.00 2.00 C ATOM 1206 C LEU A 77 1.281 9.852 -2.587 1.00 2.45 C ATOM 1207 O LEU A 77 0.905 9.119 -3.503 1.00 2.99 O ATOM 1208 CB LEU A 77 0.658 8.018 -0.861 1.00 2.21 C ATOM 1209 CG LEU A 77 1.127 7.415 0.474 1.00 1.89 C ATOM 1210 CD1 LEU A 77 2.615 7.077 0.449 1.00 2.40 C ATOM 1211 CD2 LEU A 77 0.842 8.290 1.696 1.00 1.96 C ATOM 0 H LEU A 77 -0.996 9.844 -0.492 1.00 1.56 H new ATOM 0 HA LEU A 77 1.906 9.735 -0.588 1.00 2.00 H new ATOM 0 HB2 LEU A 77 -0.422 7.887 -0.930 1.00 2.21 H new ATOM 0 HB3 LEU A 77 1.102 7.437 -1.669 1.00 2.21 H new ATOM 0 HG LEU A 77 0.535 6.506 0.579 1.00 1.89 H new ATOM 0 HD11 LEU A 77 2.908 6.653 1.410 1.00 2.40 H new ATOM 0 HD12 LEU A 77 2.810 6.353 -0.342 1.00 2.40 H new ATOM 0 HD13 LEU A 77 3.191 7.983 0.261 1.00 2.40 H new ATOM 0 HD21 LEU A 77 1.205 7.790 2.594 1.00 1.96 H new ATOM 0 HD22 LEU A 77 1.350 9.248 1.584 1.00 1.96 H new ATOM 0 HD23 LEU A 77 -0.232 8.456 1.782 1.00 1.96 H new ATOM 1223 N GLY A 78 1.988 10.965 -2.798 1.00 2.49 N ATOM 1224 CA GLY A 78 2.741 11.268 -4.022 1.00 2.92 C ATOM 1225 C GLY A 78 4.151 10.658 -4.004 1.00 2.12 C ATOM 1226 O GLY A 78 4.572 10.090 -2.995 1.00 1.55 O ATOM 0 H GLY A 78 2.056 11.706 -2.100 1.00 2.49 H new ATOM 0 HA2 GLY A 78 2.194 10.889 -4.886 1.00 2.92 H new ATOM 0 HA3 GLY A 78 2.816 12.349 -4.142 1.00 2.92 H new ATOM 1230 N ASP A 79 4.892 10.787 -5.112 1.00 2.13 N ATOM 1231 CA ASP A 79 6.214 10.166 -5.341 1.00 1.56 C ATOM 1232 C ASP A 79 7.195 10.251 -4.143 1.00 1.26 C ATOM 1233 O ASP A 79 7.835 9.251 -3.800 1.00 1.17 O ATOM 1234 CB ASP A 79 6.856 10.816 -6.587 1.00 1.54 C ATOM 1235 CG ASP A 79 6.346 10.232 -7.913 1.00 2.62 C ATOM 1236 OD1 ASP A 79 6.728 9.081 -8.223 1.00 3.49 O ATOM 1237 OD2 ASP A 79 5.584 10.910 -8.650 1.00 3.57 O ATOM 0 H ASP A 79 4.581 11.346 -5.906 1.00 2.13 H new ATOM 0 HA ASP A 79 6.031 9.101 -5.485 1.00 1.56 H new ATOM 0 HB2 ASP A 79 6.658 11.888 -6.571 1.00 1.54 H new ATOM 0 HB3 ASP A 79 7.938 10.691 -6.536 1.00 1.54 H new ATOM 1242 N ALA A 80 7.283 11.399 -3.462 1.00 1.63 N ATOM 1243 CA ALA A 80 8.231 11.642 -2.365 1.00 1.74 C ATOM 1244 C ALA A 80 7.850 10.974 -1.024 1.00 1.53 C ATOM 1245 O ALA A 80 8.733 10.723 -0.195 1.00 1.65 O ATOM 1246 CB ALA A 80 8.405 13.156 -2.210 1.00 2.39 C ATOM 0 H ALA A 80 6.686 12.202 -3.661 1.00 1.63 H new ATOM 0 HA ALA A 80 9.175 11.168 -2.635 1.00 1.74 H new ATOM 0 HB1 ALA A 80 9.105 13.361 -1.400 1.00 2.39 H new ATOM 0 HB2 ALA A 80 8.792 13.575 -3.139 1.00 2.39 H new ATOM 0 HB3 ALA A 80 7.442 13.611 -1.980 1.00 2.39 H new ATOM 1252 N GLU A 81 6.568 10.653 -0.810 1.00 1.50 N ATOM 1253 CA GLU A 81 6.105 9.823 0.319 1.00 1.34 C ATOM 1254 C GLU A 81 6.053 8.334 -0.076 1.00 1.09 C ATOM 1255 O GLU A 81 6.371 7.465 0.735 1.00 1.03 O ATOM 1256 CB GLU A 81 4.715 10.276 0.811 1.00 1.64 C ATOM 1257 CG GLU A 81 4.574 11.732 1.278 1.00 1.56 C ATOM 1258 CD GLU A 81 5.385 12.078 2.530 1.00 1.49 C ATOM 1259 OE1 GLU A 81 6.551 12.510 2.375 1.00 2.77 O ATOM 1260 OE2 GLU A 81 4.843 12.003 3.663 1.00 2.54 O ATOM 0 H GLU A 81 5.812 10.963 -1.420 1.00 1.50 H new ATOM 0 HA GLU A 81 6.822 9.950 1.130 1.00 1.34 H new ATOM 0 HB2 GLU A 81 4.001 10.110 0.004 1.00 1.64 H new ATOM 0 HB3 GLU A 81 4.421 9.627 1.636 1.00 1.64 H new ATOM 0 HG2 GLU A 81 4.882 12.392 0.467 1.00 1.56 H new ATOM 0 HG3 GLU A 81 3.522 11.937 1.474 1.00 1.56 H new ATOM 1267 N VAL A 82 5.690 8.022 -1.328 1.00 1.04 N ATOM 1268 CA VAL A 82 5.602 6.645 -1.854 1.00 1.00 C ATOM 1269 C VAL A 82 6.970 5.965 -1.827 1.00 0.88 C ATOM 1270 O VAL A 82 7.098 4.880 -1.265 1.00 0.81 O ATOM 1271 CB VAL A 82 4.993 6.641 -3.272 1.00 1.08 C ATOM 1272 CG1 VAL A 82 5.114 5.289 -3.984 1.00 1.19 C ATOM 1273 CG2 VAL A 82 3.496 6.964 -3.214 1.00 1.32 C ATOM 0 H VAL A 82 5.444 8.730 -2.020 1.00 1.04 H new ATOM 0 HA VAL A 82 4.938 6.070 -1.208 1.00 1.00 H new ATOM 0 HB VAL A 82 5.558 7.392 -3.825 1.00 1.08 H new ATOM 0 HG11 VAL A 82 4.666 5.358 -4.975 1.00 1.19 H new ATOM 0 HG12 VAL A 82 6.166 5.021 -4.080 1.00 1.19 H new ATOM 0 HG13 VAL A 82 4.596 4.525 -3.404 1.00 1.19 H new ATOM 0 HG21 VAL A 82 3.083 6.957 -4.223 1.00 1.32 H new ATOM 0 HG22 VAL A 82 2.986 6.216 -2.608 1.00 1.32 H new ATOM 0 HG23 VAL A 82 3.353 7.949 -2.770 1.00 1.32 H new ATOM 1283 N SER A 83 8.014 6.624 -2.336 1.00 0.88 N ATOM 1284 CA SER A 83 9.396 6.115 -2.280 1.00 0.79 C ATOM 1285 C SER A 83 9.887 5.861 -0.843 1.00 0.75 C ATOM 1286 O SER A 83 10.656 4.927 -0.603 1.00 0.70 O ATOM 1287 CB SER A 83 10.339 7.077 -3.012 1.00 0.93 C ATOM 1288 OG SER A 83 10.110 8.422 -2.626 1.00 2.35 O ATOM 0 H SER A 83 7.930 7.528 -2.801 1.00 0.88 H new ATOM 0 HA SER A 83 9.400 5.147 -2.781 1.00 0.79 H new ATOM 0 HB2 SER A 83 11.373 6.807 -2.799 1.00 0.93 H new ATOM 0 HB3 SER A 83 10.199 6.977 -4.088 1.00 0.93 H new ATOM 0 HG SER A 83 9.437 8.821 -3.216 1.00 2.35 H new ATOM 1294 N ALA A 84 9.391 6.623 0.139 1.00 0.94 N ATOM 1295 CA ALA A 84 9.666 6.390 1.556 1.00 1.02 C ATOM 1296 C ALA A 84 8.895 5.186 2.131 1.00 0.89 C ATOM 1297 O ALA A 84 9.482 4.401 2.865 1.00 0.84 O ATOM 1298 CB ALA A 84 9.419 7.682 2.337 1.00 1.22 C ATOM 0 H ALA A 84 8.783 7.424 -0.032 1.00 0.94 H new ATOM 0 HA ALA A 84 10.715 6.115 1.662 1.00 1.02 H new ATOM 0 HB1 ALA A 84 9.623 7.513 3.394 1.00 1.22 H new ATOM 0 HB2 ALA A 84 10.077 8.466 1.961 1.00 1.22 H new ATOM 0 HB3 ALA A 84 8.381 7.990 2.212 1.00 1.22 H new ATOM 1304 N LEU A 85 7.630 4.953 1.759 1.00 0.89 N ATOM 1305 CA LEU A 85 6.897 3.732 2.149 1.00 0.81 C ATOM 1306 C LEU A 85 7.477 2.454 1.509 1.00 0.65 C ATOM 1307 O LEU A 85 7.475 1.388 2.122 1.00 0.69 O ATOM 1308 CB LEU A 85 5.402 3.889 1.789 1.00 1.09 C ATOM 1309 CG LEU A 85 4.478 4.336 2.936 1.00 0.98 C ATOM 1310 CD1 LEU A 85 4.383 3.294 4.054 1.00 2.19 C ATOM 1311 CD2 LEU A 85 4.890 5.665 3.559 1.00 1.56 C ATOM 0 H LEU A 85 7.086 5.596 1.184 1.00 0.89 H new ATOM 0 HA LEU A 85 7.009 3.614 3.227 1.00 0.81 H new ATOM 0 HB2 LEU A 85 5.318 4.612 0.978 1.00 1.09 H new ATOM 0 HB3 LEU A 85 5.038 2.936 1.406 1.00 1.09 H new ATOM 0 HG LEU A 85 3.504 4.455 2.462 1.00 0.98 H new ATOM 0 HD11 LEU A 85 3.719 3.660 4.837 1.00 2.19 H new ATOM 0 HD12 LEU A 85 3.988 2.362 3.650 1.00 2.19 H new ATOM 0 HD13 LEU A 85 5.374 3.117 4.472 1.00 2.19 H new ATOM 0 HD21 LEU A 85 4.197 5.921 4.360 1.00 1.56 H new ATOM 0 HD22 LEU A 85 5.898 5.580 3.964 1.00 1.56 H new ATOM 0 HD23 LEU A 85 4.869 6.445 2.798 1.00 1.56 H new ATOM 1323 N ILE A 86 8.003 2.571 0.293 1.00 0.59 N ATOM 1324 CA ILE A 86 8.672 1.494 -0.459 1.00 0.65 C ATOM 1325 C ILE A 86 10.065 1.216 0.129 1.00 0.77 C ATOM 1326 O ILE A 86 10.536 0.077 0.124 1.00 1.12 O ATOM 1327 CB ILE A 86 8.663 1.857 -1.962 1.00 0.73 C ATOM 1328 CG1 ILE A 86 7.390 1.327 -2.662 1.00 1.00 C ATOM 1329 CG2 ILE A 86 9.869 1.306 -2.740 1.00 1.03 C ATOM 1330 CD1 ILE A 86 6.041 1.678 -2.013 1.00 0.81 C ATOM 0 H ILE A 86 7.978 3.451 -0.223 1.00 0.59 H new ATOM 0 HA ILE A 86 8.135 0.550 -0.363 1.00 0.65 H new ATOM 0 HB ILE A 86 8.701 2.946 -1.977 1.00 0.73 H new ATOM 0 HG12 ILE A 86 7.383 1.705 -3.684 1.00 1.00 H new ATOM 0 HG13 ILE A 86 7.464 0.241 -2.724 1.00 1.00 H new ATOM 0 HG21 ILE A 86 9.793 1.601 -3.786 1.00 1.03 H new ATOM 0 HG22 ILE A 86 10.790 1.707 -2.316 1.00 1.03 H new ATOM 0 HG23 ILE A 86 9.881 0.218 -2.670 1.00 1.03 H new ATOM 0 HD11 ILE A 86 5.231 1.247 -2.601 1.00 0.81 H new ATOM 0 HD12 ILE A 86 6.008 1.275 -1.001 1.00 0.81 H new ATOM 0 HD13 ILE A 86 5.926 2.761 -1.976 1.00 0.81 H new ATOM 1342 N SER A 87 10.708 2.241 0.697 1.00 0.71 N ATOM 1343 CA SER A 87 11.897 2.086 1.543 1.00 0.89 C ATOM 1344 C SER A 87 11.557 1.450 2.893 1.00 0.84 C ATOM 1345 O SER A 87 12.280 0.551 3.321 1.00 0.94 O ATOM 1346 CB SER A 87 12.609 3.428 1.723 1.00 1.11 C ATOM 1347 OG SER A 87 13.005 3.927 0.456 1.00 1.80 O ATOM 0 H SER A 87 10.415 3.211 0.582 1.00 0.71 H new ATOM 0 HA SER A 87 12.578 1.404 1.034 1.00 0.89 H new ATOM 0 HB2 SER A 87 11.947 4.140 2.215 1.00 1.11 H new ATOM 0 HB3 SER A 87 13.480 3.306 2.366 1.00 1.11 H new ATOM 0 HG SER A 87 12.230 4.321 0.003 1.00 1.80 H new ATOM 1353 N TYR A 88 10.442 1.827 3.533 1.00 0.75 N ATOM 1354 CA TYR A 88 10.047 1.241 4.817 1.00 0.80 C ATOM 1355 C TYR A 88 9.889 -0.283 4.748 1.00 0.78 C ATOM 1356 O TYR A 88 10.500 -0.990 5.549 1.00 1.06 O ATOM 1357 CB TYR A 88 8.745 1.875 5.336 1.00 0.86 C ATOM 1358 CG TYR A 88 8.255 1.337 6.671 1.00 0.82 C ATOM 1359 CD1 TYR A 88 9.175 1.010 7.686 1.00 1.48 C ATOM 1360 CD2 TYR A 88 6.879 1.112 6.880 1.00 2.18 C ATOM 1361 CE1 TYR A 88 8.735 0.373 8.856 1.00 1.48 C ATOM 1362 CE2 TYR A 88 6.433 0.501 8.069 1.00 2.22 C ATOM 1363 CZ TYR A 88 7.368 0.089 9.042 1.00 0.94 C ATOM 1364 OH TYR A 88 6.964 -0.608 10.136 1.00 1.12 O ATOM 0 H TYR A 88 9.799 2.536 3.181 1.00 0.75 H new ATOM 0 HA TYR A 88 10.858 1.458 5.513 1.00 0.80 H new ATOM 0 HB2 TYR A 88 8.894 2.951 5.428 1.00 0.86 H new ATOM 0 HB3 TYR A 88 7.963 1.724 4.592 1.00 0.86 H new ATOM 0 HD1 TYR A 88 10.221 1.250 7.563 1.00 1.48 H new ATOM 0 HD2 TYR A 88 6.164 1.409 6.127 1.00 2.18 H new ATOM 0 HE1 TYR A 88 9.449 0.099 9.619 1.00 1.48 H new ATOM 0 HE2 TYR A 88 5.377 0.348 8.235 1.00 2.22 H new ATOM 0 HH TYR A 88 7.749 -0.916 10.636 1.00 1.12 H new ATOM 1374 N LEU A 89 9.105 -0.794 3.793 1.00 0.68 N ATOM 1375 CA LEU A 89 8.786 -2.225 3.738 1.00 0.93 C ATOM 1376 C LEU A 89 10.021 -3.091 3.442 1.00 1.17 C ATOM 1377 O LEU A 89 10.244 -4.076 4.145 1.00 1.72 O ATOM 1378 CB LEU A 89 7.641 -2.476 2.738 1.00 1.03 C ATOM 1379 CG LEU A 89 6.234 -2.462 3.368 1.00 1.24 C ATOM 1380 CD1 LEU A 89 5.839 -1.109 3.963 1.00 1.66 C ATOM 1381 CD2 LEU A 89 5.192 -2.830 2.311 1.00 1.67 C ATOM 0 H LEU A 89 8.680 -0.240 3.049 1.00 0.68 H new ATOM 0 HA LEU A 89 8.444 -2.531 4.727 1.00 0.93 H new ATOM 0 HB2 LEU A 89 7.684 -1.717 1.957 1.00 1.03 H new ATOM 0 HB3 LEU A 89 7.801 -3.440 2.255 1.00 1.03 H new ATOM 0 HG LEU A 89 6.265 -3.188 4.181 1.00 1.24 H new ATOM 0 HD11 LEU A 89 4.837 -1.177 4.387 1.00 1.66 H new ATOM 0 HD12 LEU A 89 6.547 -0.835 4.745 1.00 1.66 H new ATOM 0 HD13 LEU A 89 5.851 -0.350 3.181 1.00 1.66 H new ATOM 0 HD21 LEU A 89 4.199 -2.819 2.760 1.00 1.67 H new ATOM 0 HD22 LEU A 89 5.230 -2.107 1.496 1.00 1.67 H new ATOM 0 HD23 LEU A 89 5.404 -3.826 1.923 1.00 1.67 H new ATOM 1393 N GLU A 90 10.864 -2.728 2.470 1.00 0.91 N ATOM 1394 CA GLU A 90 12.096 -3.480 2.165 1.00 1.08 C ATOM 1395 C GLU A 90 13.165 -3.402 3.270 1.00 1.33 C ATOM 1396 O GLU A 90 13.951 -4.345 3.421 1.00 1.78 O ATOM 1397 CB GLU A 90 12.681 -3.018 0.816 1.00 1.00 C ATOM 1398 CG GLU A 90 12.090 -3.763 -0.391 1.00 1.21 C ATOM 1399 CD GLU A 90 12.671 -5.181 -0.510 1.00 2.22 C ATOM 1400 OE1 GLU A 90 12.199 -6.088 0.216 1.00 3.81 O ATOM 1401 OE2 GLU A 90 13.639 -5.382 -1.286 1.00 2.66 O ATOM 0 H GLU A 90 10.718 -1.913 1.874 1.00 0.91 H new ATOM 0 HA GLU A 90 11.805 -4.529 2.105 1.00 1.08 H new ATOM 0 HB2 GLU A 90 12.502 -1.949 0.697 1.00 1.00 H new ATOM 0 HB3 GLU A 90 13.762 -3.161 0.829 1.00 1.00 H new ATOM 0 HG2 GLU A 90 11.006 -3.819 -0.292 1.00 1.21 H new ATOM 0 HG3 GLU A 90 12.298 -3.204 -1.304 1.00 1.21 H new ATOM 1408 N GLU A 91 13.198 -2.326 4.068 1.00 1.19 N ATOM 1409 CA GLU A 91 14.099 -2.222 5.226 1.00 1.47 C ATOM 1410 C GLU A 91 13.567 -2.947 6.473 1.00 1.54 C ATOM 1411 O GLU A 91 14.338 -3.620 7.157 1.00 1.77 O ATOM 1412 CB GLU A 91 14.435 -0.754 5.523 1.00 1.60 C ATOM 1413 CG GLU A 91 15.295 -0.141 4.402 1.00 1.85 C ATOM 1414 CD GLU A 91 15.718 1.304 4.681 1.00 3.03 C ATOM 1415 OE1 GLU A 91 15.614 1.784 5.837 1.00 4.03 O ATOM 1416 OE2 GLU A 91 16.251 1.960 3.747 1.00 3.68 O ATOM 0 H GLU A 91 12.605 -1.507 3.931 1.00 1.19 H new ATOM 0 HA GLU A 91 15.020 -2.738 4.955 1.00 1.47 H new ATOM 0 HB2 GLU A 91 13.513 -0.182 5.632 1.00 1.60 H new ATOM 0 HB3 GLU A 91 14.967 -0.685 6.472 1.00 1.60 H new ATOM 0 HG2 GLU A 91 16.187 -0.752 4.263 1.00 1.85 H new ATOM 0 HG3 GLU A 91 14.737 -0.174 3.466 1.00 1.85 H new ATOM 1423 N GLU A 92 12.259 -2.902 6.748 1.00 1.39 N ATOM 1424 CA GLU A 92 11.641 -3.676 7.838 1.00 1.55 C ATOM 1425 C GLU A 92 11.695 -5.188 7.536 1.00 1.71 C ATOM 1426 O GLU A 92 12.002 -5.987 8.422 1.00 1.97 O ATOM 1427 CB GLU A 92 10.195 -3.185 8.057 1.00 1.49 C ATOM 1428 CG GLU A 92 9.572 -3.606 9.399 1.00 2.06 C ATOM 1429 CD GLU A 92 9.971 -2.668 10.547 1.00 2.52 C ATOM 1430 OE1 GLU A 92 11.142 -2.682 10.997 1.00 3.10 O ATOM 1431 OE2 GLU A 92 9.141 -1.856 11.017 1.00 3.44 O ATOM 0 H GLU A 92 11.597 -2.330 6.224 1.00 1.39 H new ATOM 0 HA GLU A 92 12.201 -3.518 8.760 1.00 1.55 H new ATOM 0 HB2 GLU A 92 10.181 -2.097 7.990 1.00 1.49 H new ATOM 0 HB3 GLU A 92 9.571 -3.562 7.247 1.00 1.49 H new ATOM 0 HG2 GLU A 92 8.486 -3.619 9.305 1.00 2.06 H new ATOM 0 HG3 GLU A 92 9.884 -4.623 9.639 1.00 2.06 H new ATOM 1438 N THR A 93 11.506 -5.589 6.271 1.00 1.63 N ATOM 1439 CA THR A 93 11.641 -6.990 5.811 1.00 1.80 C ATOM 1440 C THR A 93 13.029 -7.563 6.123 1.00 1.93 C ATOM 1441 O THR A 93 13.143 -8.725 6.510 1.00 2.10 O ATOM 1442 CB THR A 93 11.389 -7.116 4.294 1.00 1.88 C ATOM 1443 OG1 THR A 93 10.097 -6.682 3.938 1.00 2.08 O ATOM 1444 CG2 THR A 93 11.457 -8.557 3.802 1.00 2.10 C ATOM 0 H THR A 93 11.251 -4.944 5.523 1.00 1.63 H new ATOM 0 HA THR A 93 10.887 -7.559 6.355 1.00 1.80 H new ATOM 0 HB THR A 93 12.171 -6.504 3.845 1.00 1.88 H new ATOM 0 HG1 THR A 93 10.117 -5.722 3.740 1.00 2.08 H new ATOM 0 HG21 THR A 93 11.272 -8.584 2.728 1.00 2.10 H new ATOM 0 HG22 THR A 93 12.446 -8.966 4.010 1.00 2.10 H new ATOM 0 HG23 THR A 93 10.702 -9.153 4.315 1.00 2.10 H new ATOM 1452 N ALA A 94 14.087 -6.759 5.998 1.00 1.91 N ATOM 1453 CA ALA A 94 15.462 -7.171 6.298 1.00 2.10 C ATOM 1454 C ALA A 94 15.742 -7.399 7.803 1.00 2.15 C ATOM 1455 O ALA A 94 16.750 -8.020 8.142 1.00 2.53 O ATOM 1456 CB ALA A 94 16.421 -6.155 5.668 1.00 2.15 C ATOM 0 H ALA A 94 14.013 -5.792 5.682 1.00 1.91 H new ATOM 0 HA ALA A 94 15.624 -8.155 5.857 1.00 2.10 H new ATOM 0 HB1 ALA A 94 17.450 -6.445 5.881 1.00 2.15 H new ATOM 0 HB2 ALA A 94 16.267 -6.130 4.589 1.00 2.15 H new ATOM 0 HB3 ALA A 94 16.229 -5.166 6.085 1.00 2.15 H new ATOM 1462 N ARG A 95 14.870 -6.938 8.715 1.00 1.89 N ATOM 1463 CA ARG A 95 14.892 -7.333 10.140 1.00 1.95 C ATOM 1464 C ARG A 95 13.899 -8.457 10.441 1.00 2.00 C ATOM 1465 O ARG A 95 14.271 -9.423 11.109 1.00 2.41 O ATOM 1466 CB ARG A 95 14.701 -6.098 11.040 1.00 2.16 C ATOM 1467 CG ARG A 95 15.980 -5.244 11.159 1.00 2.64 C ATOM 1468 CD ARG A 95 16.238 -4.301 9.973 1.00 2.74 C ATOM 1469 NE ARG A 95 17.676 -4.064 9.777 1.00 3.47 N ATOM 1470 CZ ARG A 95 18.247 -3.594 8.652 1.00 4.51 C ATOM 1471 NH1 ARG A 95 17.519 -3.250 7.579 1.00 5.12 N ATOM 1472 NH2 ARG A 95 19.580 -3.466 8.600 1.00 5.61 N ATOM 0 H ARG A 95 14.126 -6.278 8.487 1.00 1.89 H new ATOM 0 HA ARG A 95 15.873 -7.749 10.367 1.00 1.95 H new ATOM 0 HB2 ARG A 95 13.895 -5.483 10.640 1.00 2.16 H new ATOM 0 HB3 ARG A 95 14.392 -6.422 12.034 1.00 2.16 H new ATOM 0 HG2 ARG A 95 15.920 -4.650 12.071 1.00 2.64 H new ATOM 0 HG3 ARG A 95 16.836 -5.910 11.268 1.00 2.64 H new ATOM 0 HD2 ARG A 95 15.812 -4.730 9.066 1.00 2.74 H new ATOM 0 HD3 ARG A 95 15.732 -3.351 10.145 1.00 2.74 H new ATOM 0 HE ARG A 95 18.294 -4.274 10.561 1.00 3.47 H new ATOM 0 HH11 ARG A 95 16.503 -3.342 7.601 1.00 5.12 H new ATOM 0 HH12 ARG A 95 17.981 -2.897 6.741 1.00 5.12 H new ATOM 0 HH21 ARG A 95 20.149 -3.723 9.407 1.00 5.61 H new ATOM 0 HH22 ARG A 95 20.026 -3.111 7.754 1.00 5.61 H new ATOM 1486 N LEU A 96 12.665 -8.355 9.933 1.00 1.98 N ATOM 1487 CA LEU A 96 11.528 -9.283 10.099 1.00 2.23 C ATOM 1488 C LEU A 96 10.989 -9.389 11.549 1.00 2.83 C ATOM 1489 O LEU A 96 9.778 -9.354 11.775 1.00 3.47 O ATOM 1490 CB LEU A 96 11.908 -10.646 9.462 1.00 3.06 C ATOM 1491 CG LEU A 96 10.846 -11.509 8.786 1.00 3.98 C ATOM 1492 CD1 LEU A 96 9.683 -11.774 9.713 1.00 3.83 C ATOM 1493 CD2 LEU A 96 10.371 -10.842 7.510 1.00 4.62 C ATOM 0 H LEU A 96 12.410 -7.560 9.348 1.00 1.98 H new ATOM 0 HA LEU A 96 10.669 -8.873 9.568 1.00 2.23 H new ATOM 0 HB2 LEU A 96 12.682 -10.450 8.721 1.00 3.06 H new ATOM 0 HB3 LEU A 96 12.363 -11.251 10.246 1.00 3.06 H new ATOM 0 HG LEU A 96 11.295 -12.471 8.537 1.00 3.98 H new ATOM 0 HD11 LEU A 96 8.944 -12.391 9.202 1.00 3.83 H new ATOM 0 HD12 LEU A 96 10.038 -12.295 10.602 1.00 3.83 H new ATOM 0 HD13 LEU A 96 9.227 -10.828 10.004 1.00 3.83 H new ATOM 0 HD21 LEU A 96 9.613 -11.465 7.034 1.00 4.62 H new ATOM 0 HD22 LEU A 96 9.944 -9.867 7.746 1.00 4.62 H new ATOM 0 HD23 LEU A 96 11.214 -10.714 6.831 1.00 4.62 H new ATOM 1505 N GLN A 97 11.873 -9.434 12.546 1.00 3.43 N ATOM 1506 CA GLN A 97 11.589 -9.496 13.989 1.00 4.79 C ATOM 1507 C GLN A 97 11.251 -8.111 14.604 1.00 5.76 C ATOM 1508 O GLN A 97 11.435 -7.883 15.799 1.00 6.99 O ATOM 1509 CB GLN A 97 12.770 -10.198 14.695 1.00 5.41 C ATOM 1510 CG GLN A 97 12.969 -11.659 14.240 1.00 5.20 C ATOM 1511 CD GLN A 97 14.262 -12.260 14.787 1.00 5.82 C ATOM 1512 OE1 GLN A 97 14.475 -12.401 15.988 1.00 6.95 O ATOM 1513 NE2 GLN A 97 15.208 -12.593 13.941 1.00 5.63 N ATOM 0 H GLN A 97 12.876 -9.428 12.359 1.00 3.43 H new ATOM 0 HA GLN A 97 10.684 -10.083 14.145 1.00 4.79 H new ATOM 0 HB2 GLN A 97 13.685 -9.637 14.504 1.00 5.41 H new ATOM 0 HB3 GLN A 97 12.604 -10.179 15.772 1.00 5.41 H new ATOM 0 HG2 GLN A 97 12.122 -12.260 14.571 1.00 5.20 H new ATOM 0 HG3 GLN A 97 12.983 -11.700 13.151 1.00 5.20 H new ATOM 0 HE21 GLN A 97 15.056 -12.486 12.938 1.00 5.63 H new ATOM 0 HE22 GLN A 97 16.095 -12.959 14.286 1.00 5.63 H new ATOM 1522 N THR A 98 10.769 -7.165 13.790 1.00 5.71 N ATOM 1523 CA THR A 98 10.460 -5.766 14.161 1.00 7.03 C ATOM 1524 C THR A 98 9.014 -5.334 13.820 1.00 7.70 C ATOM 1525 O THR A 98 8.811 -4.227 13.319 1.00 8.30 O ATOM 1526 CB THR A 98 11.497 -4.814 13.526 1.00 7.44 C ATOM 1527 OG1 THR A 98 11.599 -5.070 12.144 1.00 7.58 O ATOM 1528 CG2 THR A 98 12.889 -4.984 14.131 1.00 7.59 C ATOM 0 H THR A 98 10.572 -7.356 12.808 1.00 5.71 H new ATOM 0 HA THR A 98 10.527 -5.705 15.247 1.00 7.03 H new ATOM 0 HB THR A 98 11.149 -3.799 13.719 1.00 7.44 H new ATOM 0 HG1 THR A 98 11.537 -4.226 11.650 1.00 7.58 H new ATOM 0 HG21 THR A 98 13.581 -4.293 13.651 1.00 7.59 H new ATOM 0 HG22 THR A 98 12.849 -4.774 15.200 1.00 7.59 H new ATOM 0 HG23 THR A 98 13.231 -6.007 13.975 1.00 7.59 H new ATOM 1536 N PRO A 99 7.963 -6.129 14.129 1.00 8.05 N ATOM 1537 CA PRO A 99 6.561 -5.831 13.779 1.00 9.07 C ATOM 1538 C PRO A 99 5.917 -4.709 14.633 1.00 10.36 C ATOM 1539 O PRO A 99 4.695 -4.658 14.798 1.00 11.46 O ATOM 1540 CB PRO A 99 5.841 -7.174 13.971 1.00 9.30 C ATOM 1541 CG PRO A 99 6.552 -7.720 15.207 1.00 9.14 C ATOM 1542 CD PRO A 99 8.004 -7.370 14.899 1.00 7.98 C ATOM 0 HA PRO A 99 6.488 -5.439 12.764 1.00 9.07 H new ATOM 0 HB2 PRO A 99 4.771 -7.047 14.135 1.00 9.30 H new ATOM 0 HB3 PRO A 99 5.956 -7.829 13.108 1.00 9.30 H new ATOM 0 HG2 PRO A 99 6.202 -7.247 16.125 1.00 9.14 H new ATOM 0 HG3 PRO A 99 6.405 -8.794 15.325 1.00 9.14 H new ATOM 0 HD2 PRO A 99 8.578 -7.241 15.817 1.00 7.98 H new ATOM 0 HD3 PRO A 99 8.486 -8.166 14.331 1.00 7.98 H new ATOM 1550 N VAL A 100 6.735 -3.867 15.267 1.00 10.41 N ATOM 1551 CA VAL A 100 6.376 -2.976 16.379 1.00 11.57 C ATOM 1552 C VAL A 100 5.894 -1.615 15.861 1.00 12.59 C ATOM 1553 O VAL A 100 6.634 -0.905 15.169 1.00 13.00 O ATOM 1554 CB VAL A 100 7.574 -2.861 17.344 1.00 11.49 C ATOM 1555 CG1 VAL A 100 7.357 -1.825 18.453 1.00 12.29 C ATOM 1556 CG2 VAL A 100 7.856 -4.214 18.015 1.00 11.38 C ATOM 0 H VAL A 100 7.718 -3.781 15.007 1.00 10.41 H new ATOM 0 HA VAL A 100 5.538 -3.397 16.935 1.00 11.57 H new ATOM 0 HB VAL A 100 8.416 -2.541 16.731 1.00 11.49 H new ATOM 0 HG11 VAL A 100 8.235 -1.793 19.098 1.00 12.29 H new ATOM 0 HG12 VAL A 100 7.197 -0.843 18.007 1.00 12.29 H new ATOM 0 HG13 VAL A 100 6.484 -2.102 19.044 1.00 12.29 H new ATOM 0 HG21 VAL A 100 8.704 -4.114 18.692 1.00 11.38 H new ATOM 0 HG22 VAL A 100 6.978 -4.531 18.577 1.00 11.38 H new ATOM 0 HG23 VAL A 100 8.086 -4.958 17.252 1.00 11.38 H new ATOM 1566 N THR A 101 4.654 -1.260 16.206 1.00 13.21 N ATOM 1567 CA THR A 101 3.887 -0.126 15.648 1.00 14.29 C ATOM 1568 C THR A 101 3.078 0.683 16.672 1.00 15.07 C ATOM 1569 O THR A 101 2.729 1.824 16.368 1.00 16.28 O ATOM 1570 CB THR A 101 2.923 -0.615 14.549 1.00 14.63 C ATOM 1571 OG1 THR A 101 2.107 -1.681 15.002 1.00 14.37 O ATOM 1572 CG2 THR A 101 3.662 -1.101 13.304 1.00 14.62 C ATOM 0 H THR A 101 4.127 -1.773 16.913 1.00 13.21 H new ATOM 0 HA THR A 101 4.649 0.544 15.250 1.00 14.29 H new ATOM 0 HB THR A 101 2.310 0.251 14.299 1.00 14.63 H new ATOM 0 HG1 THR A 101 1.508 -1.964 14.280 1.00 14.37 H new ATOM 0 HG21 THR A 101 2.940 -1.435 12.559 1.00 14.62 H new ATOM 0 HG22 THR A 101 4.257 -0.286 12.892 1.00 14.62 H new ATOM 0 HG23 THR A 101 4.318 -1.930 13.571 1.00 14.62 H new ATOM 1580 N ASN A 102 2.804 0.142 17.868 1.00 14.64 N ATOM 1581 CA ASN A 102 2.097 0.772 19.001 1.00 15.44 C ATOM 1582 C ASN A 102 0.629 1.212 18.725 1.00 16.20 C ATOM 1583 O ASN A 102 0.094 1.063 17.617 1.00 16.41 O ATOM 1584 CB ASN A 102 3.014 1.886 19.572 1.00 15.89 C ATOM 1585 CG ASN A 102 2.785 2.251 21.036 1.00 16.38 C ATOM 1586 OD1 ASN A 102 1.993 1.653 21.753 1.00 16.78 O ATOM 1587 ND2 ASN A 102 3.469 3.260 21.515 1.00 16.59 N ATOM 0 H ASN A 102 3.088 -0.813 18.088 1.00 14.64 H new ATOM 0 HA ASN A 102 1.929 0.012 19.764 1.00 15.44 H new ATOM 0 HB2 ASN A 102 4.051 1.572 19.454 1.00 15.89 H new ATOM 0 HB3 ASN A 102 2.882 2.784 18.969 1.00 15.89 H new ATOM 0 HD21 ASN A 102 3.342 3.548 22.485 1.00 16.59 H new ATOM 0 HD22 ASN A 102 4.129 3.758 20.918 1.00 16.59 H new ATOM 1594 N ARG A 103 -0.032 1.756 19.757 1.00 16.89 N ATOM 1595 CA ARG A 103 -1.385 2.346 19.770 1.00 17.88 C ATOM 1596 C ARG A 103 -1.346 3.701 20.493 1.00 18.42 C ATOM 1597 O ARG A 103 -0.616 3.833 21.475 1.00 18.44 O ATOM 1598 CB ARG A 103 -2.357 1.346 20.421 1.00 18.37 C ATOM 1599 CG ARG A 103 -3.830 1.773 20.307 1.00 19.30 C ATOM 1600 CD ARG A 103 -4.780 0.744 20.936 1.00 19.79 C ATOM 1601 NE ARG A 103 -4.785 -0.531 20.200 1.00 19.30 N ATOM 1602 CZ ARG A 103 -5.387 -1.664 20.606 1.00 19.62 C ATOM 1603 NH1 ARG A 103 -6.059 -1.726 21.767 1.00 20.37 N ATOM 1604 NH2 ARG A 103 -5.311 -2.758 19.837 1.00 19.43 N ATOM 0 H ARG A 103 0.398 1.800 20.681 1.00 16.89 H new ATOM 0 HA ARG A 103 -1.740 2.538 18.757 1.00 17.88 H new ATOM 0 HB2 ARG A 103 -2.231 0.370 19.953 1.00 18.37 H new ATOM 0 HB3 ARG A 103 -2.099 1.231 21.474 1.00 18.37 H new ATOM 0 HG2 ARG A 103 -3.966 2.738 20.796 1.00 19.30 H new ATOM 0 HG3 ARG A 103 -4.087 1.909 19.257 1.00 19.30 H new ATOM 0 HD2 ARG A 103 -4.485 0.564 21.970 1.00 19.79 H new ATOM 0 HD3 ARG A 103 -5.791 1.152 20.960 1.00 19.79 H new ATOM 0 HE ARG A 103 -4.291 -0.558 19.308 1.00 19.30 H new ATOM 0 HH11 ARG A 103 -6.122 -0.902 22.364 1.00 20.37 H new ATOM 0 HH12 ARG A 103 -6.506 -2.597 22.051 1.00 20.37 H new ATOM 0 HH21 ARG A 103 -4.801 -2.726 18.954 1.00 19.43 H new ATOM 0 HH22 ARG A 103 -5.763 -3.623 20.134 1.00 19.43 H new ATOM 1618 N GLY A 104 -2.129 4.687 20.055 1.00 19.02 N ATOM 1619 CA GLY A 104 -2.201 6.026 20.664 1.00 19.73 C ATOM 1620 C GLY A 104 -1.617 7.156 19.804 1.00 19.58 C ATOM 1621 O GLY A 104 -1.319 6.965 18.620 1.00 19.60 O ATOM 0 H GLY A 104 -2.746 4.580 19.250 1.00 19.02 H new ATOM 0 HA2 GLY A 104 -3.244 6.256 20.881 1.00 19.73 H new ATOM 0 HA3 GLY A 104 -1.674 6.005 21.618 1.00 19.73 H new ATOM 1625 N ILE A 105 -1.455 8.340 20.405 1.00 19.62 N ATOM 1626 CA ILE A 105 -1.268 9.635 19.710 1.00 19.86 C ATOM 1627 C ILE A 105 -2.421 9.891 18.710 1.00 20.75 C ATOM 1628 O ILE A 105 -2.241 9.758 17.493 1.00 20.88 O ATOM 1629 CB ILE A 105 0.156 9.786 19.104 1.00 18.85 C ATOM 1630 CG1 ILE A 105 1.292 9.475 20.108 1.00 18.16 C ATOM 1631 CG2 ILE A 105 0.373 11.200 18.529 1.00 19.51 C ATOM 1632 CD1 ILE A 105 1.355 10.392 21.336 1.00 18.81 C ATOM 0 H ILE A 105 -1.449 8.435 21.421 1.00 19.62 H new ATOM 0 HA ILE A 105 -1.326 10.433 20.450 1.00 19.86 H new ATOM 0 HB ILE A 105 0.205 9.044 18.307 1.00 18.85 H new ATOM 0 HG12 ILE A 105 1.180 8.446 20.450 1.00 18.16 H new ATOM 0 HG13 ILE A 105 2.245 9.534 19.582 1.00 18.16 H new ATOM 0 HG21 ILE A 105 1.378 11.273 18.113 1.00 19.51 H new ATOM 0 HG22 ILE A 105 -0.359 11.390 17.744 1.00 19.51 H new ATOM 0 HG23 ILE A 105 0.254 11.938 19.323 1.00 19.51 H new ATOM 0 HD11 ILE A 105 2.185 10.089 21.974 1.00 18.81 H new ATOM 0 HD12 ILE A 105 1.503 11.423 21.013 1.00 18.81 H new ATOM 0 HD13 ILE A 105 0.422 10.317 21.894 1.00 18.81 H new ATOM 1644 N PRO A 106 -3.646 10.192 19.186 1.00 21.63 N ATOM 1645 CA PRO A 106 -4.826 10.391 18.340 1.00 22.76 C ATOM 1646 C PRO A 106 -4.792 11.726 17.580 1.00 23.13 C ATOM 1647 O PRO A 106 -4.917 12.810 18.196 1.00 23.63 O ATOM 1648 CB PRO A 106 -6.023 10.216 19.276 1.00 23.67 C ATOM 1649 CG PRO A 106 -5.493 10.654 20.637 1.00 23.35 C ATOM 1650 CD PRO A 106 -4.022 10.244 20.596 1.00 21.93 C ATOM 1651 OXT PRO A 106 -4.634 11.746 16.361 1.00 23.14 O ATOM 0 HA PRO A 106 -4.878 9.667 17.527 1.00 22.76 H new ATOM 0 HB2 PRO A 106 -6.869 10.827 18.961 1.00 23.67 H new ATOM 0 HB3 PRO A 106 -6.367 9.182 19.295 1.00 23.67 H new ATOM 0 HG2 PRO A 106 -5.606 11.728 20.785 1.00 23.35 H new ATOM 0 HG3 PRO A 106 -6.024 10.162 21.452 1.00 23.35 H new ATOM 0 HD2 PRO A 106 -3.404 10.961 21.136 1.00 21.93 H new ATOM 0 HD3 PRO A 106 -3.876 9.275 21.073 1.00 21.93 H new TER 1659 PRO A 106 HETATM 1660 FE HEC A 107 -3.940 -0.159 2.614 1.00 0.92 FE HETATM 1661 CHA HEC A 107 -4.389 -2.863 0.492 1.00 1.11 C HETATM 1662 CHB HEC A 107 -0.587 0.001 1.751 1.00 0.91 C HETATM 1663 CHC HEC A 107 -3.708 2.929 4.189 1.00 0.97 C HETATM 1664 CHD HEC A 107 -7.238 -0.474 3.723 1.00 1.13 C HETATM 1665 NA HEC A 107 -2.706 -1.236 1.339 1.00 0.88 N HETATM 1666 C1A HEC A 107 -3.112 -2.290 0.569 1.00 0.98 C HETATM 1667 C2A HEC A 107 -1.936 -2.815 -0.093 1.00 1.00 C HETATM 1668 C3A HEC A 107 -0.868 -2.029 0.288 1.00 0.92 C HETATM 1669 C4A HEC A 107 -1.368 -1.015 1.187 1.00 0.87 C HETATM 1670 CMA HEC A 107 0.573 -2.205 -0.139 1.00 0.96 C HETATM 1671 CAA HEC A 107 -1.828 -4.160 -0.784 1.00 1.09 C HETATM 1672 CBA HEC A 107 -1.513 -4.117 -2.281 1.00 2.74 C HETATM 1673 CGA HEC A 107 -1.229 -5.524 -2.776 1.00 2.80 C HETATM 1674 O1A HEC A 107 -0.138 -6.038 -2.465 1.00 3.12 O HETATM 1675 O2A HEC A 107 -2.133 -6.106 -3.407 1.00 3.40 O HETATM 1676 NB HEC A 107 -2.417 1.221 2.919 1.00 0.88 N HETATM 1677 C1B HEC A 107 -1.126 1.058 2.498 1.00 0.90 C HETATM 1678 C2B HEC A 107 -0.381 2.212 2.949 1.00 0.98 C HETATM 1679 C3B HEC A 107 -1.272 3.076 3.559 1.00 0.93 C HETATM 1680 C4B HEC A 107 -2.557 2.410 3.582 1.00 0.92 C HETATM 1681 CMB HEC A 107 1.107 2.428 2.780 1.00 1.20 C HETATM 1682 CAB HEC A 107 -0.995 4.490 4.048 1.00 0.95 C HETATM 1683 CBB HEC A 107 -0.943 5.481 2.892 1.00 1.27 C HETATM 1684 NC HEC A 107 -5.232 1.009 3.759 1.00 0.98 N HETATM 1685 C1C HEC A 107 -4.906 2.222 4.292 1.00 0.99 C HETATM 1686 C2C HEC A 107 -6.052 2.694 5.024 1.00 1.08 C HETATM 1687 C3C HEC A 107 -6.981 1.674 5.033 1.00 1.11 C HETATM 1688 C4C HEC A 107 -6.508 0.658 4.119 1.00 1.06 C HETATM 1689 CMC HEC A 107 -6.174 4.045 5.696 1.00 1.17 C HETATM 1690 CAC HEC A 107 -8.211 1.578 5.916 1.00 1.20 C HETATM 1691 CBC HEC A 107 -9.397 2.344 5.325 1.00 1.62 C HETATM 1692 ND HEC A 107 -5.541 -1.439 2.177 1.00 1.03 N HETATM 1693 C1D HEC A 107 -6.767 -1.396 2.778 1.00 1.12 C HETATM 1694 C2D HEC A 107 -7.539 -2.494 2.243 1.00 1.27 C HETATM 1695 C3D HEC A 107 -6.761 -3.125 1.297 1.00 1.26 C HETATM 1696 C4D HEC A 107 -5.482 -2.454 1.270 1.00 1.12 C HETATM 1697 CMD HEC A 107 -8.950 -2.862 2.639 1.00 1.45 C HETATM 1698 CAD HEC A 107 -7.092 -4.419 0.577 1.00 1.42 C HETATM 1699 CBD HEC A 107 -6.668 -5.661 1.372 1.00 2.96 C HETATM 1700 CGD HEC A 107 -5.211 -5.628 1.799 1.00 4.71 C HETATM 1701 O1D HEC A 107 -4.925 -5.051 2.865 1.00 5.44 O HETATM 1702 O2D HEC A 107 -4.370 -6.141 1.038 1.00 5.89 O HETATM 0 HMD3 HEC A 107 -8.981 -3.093 3.704 1.00 1.45 H new HETATM 0 HMD2 HEC A 107 -9.617 -2.025 2.430 1.00 1.45 H new HETATM 0 HMD1 HEC A 107 -9.272 -3.734 2.069 1.00 1.45 H new HETATM 0 HMC3 HEC A 107 -5.392 4.149 6.448 1.00 1.17 H new HETATM 0 HMC2 HEC A 107 -6.067 4.833 4.951 1.00 1.17 H new HETATM 0 HMC1 HEC A 107 -7.150 4.127 6.173 1.00 1.17 H new HETATM 0 HMB3 HEC A 107 1.650 1.627 3.281 1.00 1.20 H new HETATM 0 HMB2 HEC A 107 1.357 2.427 1.719 1.00 1.20 H new HETATM 0 HMB1 HEC A 107 1.388 3.386 3.218 1.00 1.20 H new HETATM 0 HMA3 HEC A 107 0.928 -3.187 0.174 1.00 0.96 H new HETATM 0 HMA2 HEC A 107 0.644 -2.123 -1.224 1.00 0.96 H new HETATM 0 HMA1 HEC A 107 1.187 -1.432 0.324 1.00 0.96 H new HETATM 0 HBD2 HEC A 107 -7.298 -5.750 2.257 1.00 2.96 H new HETATM 0 HBD1 HEC A 107 -6.842 -6.550 0.766 1.00 2.96 H new HETATM 0 HBC3 HEC A 107 -9.134 3.396 5.219 1.00 1.62 H new HETATM 0 HBC2 HEC A 107 -9.645 1.932 4.347 1.00 1.62 H new HETATM 0 HBC1 HEC A 107 -10.257 2.250 5.988 1.00 1.62 H new HETATM 0 HBB3 HEC A 107 -0.150 5.194 2.202 1.00 1.27 H new HETATM 0 HBB2 HEC A 107 -1.899 5.479 2.368 1.00 1.27 H new HETATM 0 HBB1 HEC A 107 -0.743 6.481 3.278 1.00 1.27 H new HETATM 0 HBA2 HEC A 107 -2.353 -3.689 -2.829 1.00 2.74 H new HETATM 0 HBA1 HEC A 107 -0.652 -3.474 -2.465 1.00 2.74 H new HETATM 0 HAD2 HEC A 107 -8.165 -4.462 0.388 1.00 1.42 H new HETATM 0 HAD1 HEC A 107 -6.597 -4.427 -0.394 1.00 1.42 H new HETATM 0 HAA2 HEC A 107 -1.053 -4.742 -0.286 1.00 1.09 H new HETATM 0 HAA1 HEC A 107 -2.767 -4.695 -0.645 1.00 1.09 H new HETATM 0 HHD HEC A 107 -8.217 -0.644 4.171 1.00 1.13 H new HETATM 0 HHC HEC A 107 -3.665 3.937 4.602 1.00 0.97 H new HETATM 0 HHB HEC A 107 0.492 -0.031 1.602 1.00 0.91 H new HETATM 0 HHA HEC A 107 -4.542 -3.677 -0.217 1.00 1.11 H new