USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 858 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 107 HECFE :(H bumps) USER MOD NoAdj-H: A 107 HEC HAC : A 107 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 107 HEC HAB : A 107 HEC CAB : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 107 HEC H2A : A 107 HEC O2A : A 107 HEC CGA :(short bond) USER MOD Set 1.1: A 15 THR OG1 : rot 101:sc= 1.31 USER MOD Set 1.2: A 19 THR OG1 : rot 100:sc= 1.09 USER MOD Single : A 1 SER N :NH3+ 156:sc= 0.00587 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00615 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 8 THR OG1 : rot -64:sc= 1.25 USER MOD Single : A 11 SER OG : rot -33:sc= 0.336 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0896 K(o=-0.09,f=-0.67) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -172:sc= 0.815 (180deg=0.777) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -145:sc= -0.0393 (180deg=-0.409) USER MOD Single : A 66 GLN : amide:sc= 0.966 K(o=0.97,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 72 MET CE :methyl -174:sc=-0.00906 (180deg=-0.0661) USER MOD Single : A 74 ASN : amide:sc= 0.0553 K(o=0.055,f=-3.9!) USER MOD Single : A 75 MET CE :methyl 176:sc= 0 (180deg=-0.0222) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 79:sc= 0.264 USER MOD Single : A 88 TYR OH : rot -31:sc= 1.29 USER MOD Single : A 93 THR OG1 : rot -56:sc= 1.24 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc=-0.00556 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 1.1 K(o=1.1,f=-1.8!) USER MOD Single : A 107 HEC O2D : rot -130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.937 5.098 6.790 1.00 2.41 N ATOM 2 CA SER A 1 13.254 6.236 6.152 1.00 2.21 C ATOM 3 C SER A 1 11.733 6.266 6.383 1.00 1.65 C ATOM 4 O SER A 1 11.212 7.287 6.842 1.00 2.77 O ATOM 5 CB SER A 1 13.615 6.357 4.663 1.00 3.06 C ATOM 6 OG SER A 1 15.020 6.398 4.476 1.00 3.87 O ATOM 0 H1 SER A 1 14.828 4.903 6.290 1.00 2.41 H new ATOM 0 H2 SER A 1 14.141 5.328 7.783 1.00 2.41 H new ATOM 0 H3 SER A 1 13.325 4.258 6.748 1.00 2.41 H new ATOM 0 HA SER A 1 13.635 7.123 6.659 1.00 2.21 H new ATOM 0 HB2 SER A 1 13.197 5.512 4.115 1.00 3.06 H new ATOM 0 HB3 SER A 1 13.164 7.259 4.249 1.00 3.06 H new ATOM 0 HG SER A 1 15.221 6.473 3.520 1.00 3.87 H new ATOM 12 N GLY A 2 11.004 5.179 6.118 1.00 1.28 N ATOM 13 CA GLY A 2 9.535 5.165 6.100 1.00 0.72 C ATOM 14 C GLY A 2 8.794 5.000 7.434 1.00 0.70 C ATOM 15 O GLY A 2 7.616 5.349 7.483 1.00 0.79 O ATOM 0 H GLY A 2 11.420 4.272 5.907 1.00 1.28 H new ATOM 0 HA2 GLY A 2 9.199 6.097 5.646 1.00 0.72 H new ATOM 0 HA3 GLY A 2 9.218 4.357 5.441 1.00 0.72 H new ATOM 19 N GLU A 3 9.419 4.492 8.505 1.00 0.74 N ATOM 20 CA GLU A 3 8.696 4.112 9.740 1.00 0.74 C ATOM 21 C GLU A 3 7.869 5.265 10.329 1.00 0.71 C ATOM 22 O GLU A 3 6.678 5.090 10.578 1.00 0.70 O ATOM 23 CB GLU A 3 9.668 3.585 10.813 1.00 0.89 C ATOM 24 CG GLU A 3 8.943 2.970 12.029 1.00 1.22 C ATOM 25 CD GLU A 3 9.737 3.099 13.333 1.00 2.17 C ATOM 26 OE1 GLU A 3 10.989 3.061 13.316 1.00 3.10 O ATOM 27 OE2 GLU A 3 9.098 3.244 14.406 1.00 3.14 O ATOM 0 H GLU A 3 10.426 4.332 8.547 1.00 0.74 H new ATOM 0 HA GLU A 3 8.005 3.321 9.448 1.00 0.74 H new ATOM 0 HB2 GLU A 3 10.321 2.834 10.368 1.00 0.89 H new ATOM 0 HB3 GLU A 3 10.306 4.402 11.151 1.00 0.89 H new ATOM 0 HG2 GLU A 3 7.975 3.456 12.151 1.00 1.22 H new ATOM 0 HG3 GLU A 3 8.748 1.916 11.833 1.00 1.22 H new ATOM 34 N GLN A 4 8.455 6.457 10.511 1.00 0.78 N ATOM 35 CA GLN A 4 7.732 7.607 11.078 1.00 0.85 C ATOM 36 C GLN A 4 6.519 8.013 10.230 1.00 0.82 C ATOM 37 O GLN A 4 5.487 8.405 10.770 1.00 0.94 O ATOM 38 CB GLN A 4 8.667 8.816 11.212 1.00 0.98 C ATOM 39 CG GLN A 4 9.709 8.640 12.323 1.00 1.96 C ATOM 40 CD GLN A 4 10.622 9.854 12.469 1.00 2.68 C ATOM 41 OE1 GLN A 4 10.443 10.906 11.859 1.00 2.94 O ATOM 42 NE2 GLN A 4 11.657 9.742 13.263 1.00 3.87 N ATOM 0 H GLN A 4 9.428 6.651 10.274 1.00 0.78 H new ATOM 0 HA GLN A 4 7.374 7.294 12.059 1.00 0.85 H new ATOM 0 HB2 GLN A 4 9.178 8.981 10.264 1.00 0.98 H new ATOM 0 HB3 GLN A 4 8.074 9.708 11.414 1.00 0.98 H new ATOM 0 HG2 GLN A 4 9.199 8.458 13.269 1.00 1.96 H new ATOM 0 HG3 GLN A 4 10.314 7.758 12.112 1.00 1.96 H new ATOM 0 HE21 GLN A 4 11.816 8.874 13.774 1.00 3.87 H new ATOM 0 HE22 GLN A 4 12.304 10.523 13.370 1.00 3.87 H new ATOM 51 N ILE A 5 6.617 7.885 8.903 1.00 0.73 N ATOM 52 CA ILE A 5 5.545 8.215 7.959 1.00 0.72 C ATOM 53 C ILE A 5 4.415 7.187 8.097 1.00 0.66 C ATOM 54 O ILE A 5 3.253 7.565 8.241 1.00 0.72 O ATOM 55 CB ILE A 5 6.098 8.273 6.511 1.00 0.73 C ATOM 56 CG1 ILE A 5 7.334 9.201 6.389 1.00 0.86 C ATOM 57 CG2 ILE A 5 4.989 8.728 5.544 1.00 0.85 C ATOM 58 CD1 ILE A 5 8.047 9.108 5.034 1.00 0.90 C ATOM 0 H ILE A 5 7.462 7.542 8.446 1.00 0.73 H new ATOM 0 HA ILE A 5 5.141 9.201 8.189 1.00 0.72 H new ATOM 0 HB ILE A 5 6.426 7.268 6.245 1.00 0.73 H new ATOM 0 HG12 ILE A 5 7.020 10.232 6.554 1.00 0.86 H new ATOM 0 HG13 ILE A 5 8.042 8.953 7.179 1.00 0.86 H new ATOM 0 HG21 ILE A 5 5.385 8.766 4.529 1.00 0.85 H new ATOM 0 HG22 ILE A 5 4.159 8.022 5.584 1.00 0.85 H new ATOM 0 HG23 ILE A 5 4.637 9.718 5.834 1.00 0.85 H new ATOM 0 HD11 ILE A 5 8.901 9.786 5.025 1.00 0.90 H new ATOM 0 HD12 ILE A 5 8.393 8.087 4.874 1.00 0.90 H new ATOM 0 HD13 ILE A 5 7.355 9.385 4.239 1.00 0.90 H new ATOM 70 N PHE A 6 4.741 5.890 8.149 1.00 0.59 N ATOM 71 CA PHE A 6 3.745 4.837 8.363 1.00 0.58 C ATOM 72 C PHE A 6 3.051 4.996 9.723 1.00 0.63 C ATOM 73 O PHE A 6 1.818 5.044 9.796 1.00 0.70 O ATOM 74 CB PHE A 6 4.403 3.455 8.228 1.00 0.60 C ATOM 75 CG PHE A 6 3.404 2.332 8.408 1.00 0.73 C ATOM 76 CD1 PHE A 6 2.547 1.980 7.348 1.00 1.58 C ATOM 77 CD2 PHE A 6 3.259 1.705 9.659 1.00 1.26 C ATOM 78 CE1 PHE A 6 1.517 1.045 7.555 1.00 1.75 C ATOM 79 CE2 PHE A 6 2.246 0.752 9.856 1.00 1.40 C ATOM 80 CZ PHE A 6 1.365 0.431 8.809 1.00 1.22 C ATOM 0 H PHE A 6 5.695 5.544 8.045 1.00 0.59 H new ATOM 0 HA PHE A 6 2.975 4.928 7.597 1.00 0.58 H new ATOM 0 HB2 PHE A 6 4.871 3.370 7.247 1.00 0.60 H new ATOM 0 HB3 PHE A 6 5.196 3.357 8.969 1.00 0.60 H new ATOM 0 HD1 PHE A 6 2.681 2.429 6.375 1.00 1.58 H new ATOM 0 HD2 PHE A 6 3.927 1.957 10.469 1.00 1.26 H new ATOM 0 HE1 PHE A 6 0.842 0.799 6.749 1.00 1.75 H new ATOM 0 HE2 PHE A 6 2.144 0.265 10.814 1.00 1.40 H new ATOM 0 HZ PHE A 6 0.573 -0.286 8.968 1.00 1.22 H new ATOM 90 N ARG A 7 3.840 5.173 10.790 1.00 0.73 N ATOM 91 CA ARG A 7 3.388 5.352 12.178 1.00 0.94 C ATOM 92 C ARG A 7 2.497 6.586 12.368 1.00 1.05 C ATOM 93 O ARG A 7 1.688 6.596 13.290 1.00 1.27 O ATOM 94 CB ARG A 7 4.622 5.366 13.097 1.00 1.11 C ATOM 95 CG ARG A 7 4.249 5.268 14.587 1.00 1.36 C ATOM 96 CD ARG A 7 5.473 5.054 15.488 1.00 2.08 C ATOM 97 NE ARG A 7 6.116 3.748 15.265 1.00 3.48 N ATOM 98 CZ ARG A 7 5.727 2.568 15.784 1.00 4.09 C ATOM 99 NH1 ARG A 7 4.665 2.468 16.601 1.00 3.85 N ATOM 100 NH2 ARG A 7 6.422 1.466 15.476 1.00 5.91 N ATOM 0 H ARG A 7 4.856 5.197 10.707 1.00 0.73 H new ATOM 0 HA ARG A 7 2.747 4.513 12.448 1.00 0.94 H new ATOM 0 HB2 ARG A 7 5.276 4.535 12.834 1.00 1.11 H new ATOM 0 HB3 ARG A 7 5.187 6.282 12.927 1.00 1.11 H new ATOM 0 HG2 ARG A 7 3.734 6.180 14.890 1.00 1.36 H new ATOM 0 HG3 ARG A 7 3.549 4.445 14.729 1.00 1.36 H new ATOM 0 HD2 ARG A 7 6.197 5.848 15.306 1.00 2.08 H new ATOM 0 HD3 ARG A 7 5.170 5.133 16.532 1.00 2.08 H new ATOM 0 HE ARG A 7 6.936 3.736 14.658 1.00 3.48 H new ATOM 0 HH11 ARG A 7 4.128 3.301 16.844 1.00 3.85 H new ATOM 0 HH12 ARG A 7 4.395 1.559 16.978 1.00 3.85 H new ATOM 0 HH21 ARG A 7 7.231 1.529 14.858 1.00 5.91 H new ATOM 0 HH22 ARG A 7 6.143 0.563 15.859 1.00 5.91 H new ATOM 114 N THR A 8 2.610 7.602 11.505 1.00 0.99 N ATOM 115 CA THR A 8 1.807 8.842 11.575 1.00 1.14 C ATOM 116 C THR A 8 0.636 8.910 10.592 1.00 1.17 C ATOM 117 O THR A 8 -0.361 9.557 10.919 1.00 1.41 O ATOM 118 CB THR A 8 2.683 10.097 11.435 1.00 1.17 C ATOM 119 OG1 THR A 8 3.480 10.060 10.271 1.00 1.22 O ATOM 120 CG2 THR A 8 3.598 10.260 12.649 1.00 1.36 C ATOM 0 H THR A 8 3.268 7.592 10.726 1.00 0.99 H new ATOM 0 HA THR A 8 1.364 8.813 12.570 1.00 1.14 H new ATOM 0 HB THR A 8 2.000 10.944 11.366 1.00 1.17 H new ATOM 0 HG1 THR A 8 4.112 9.313 10.331 1.00 1.22 H new ATOM 0 HG21 THR A 8 4.208 11.155 12.527 1.00 1.36 H new ATOM 0 HG22 THR A 8 2.993 10.354 13.551 1.00 1.36 H new ATOM 0 HG23 THR A 8 4.246 9.388 12.736 1.00 1.36 H new ATOM 128 N ARG A 9 0.708 8.260 9.419 1.00 1.01 N ATOM 129 CA ARG A 9 -0.303 8.385 8.344 1.00 1.09 C ATOM 130 C ARG A 9 -1.111 7.113 8.050 1.00 1.00 C ATOM 131 O ARG A 9 -2.196 7.212 7.473 1.00 1.22 O ATOM 132 CB ARG A 9 0.346 8.912 7.050 1.00 1.28 C ATOM 133 CG ARG A 9 0.995 10.296 7.228 1.00 1.51 C ATOM 134 CD ARG A 9 1.287 10.983 5.888 1.00 1.26 C ATOM 135 NE ARG A 9 0.043 11.390 5.210 1.00 1.82 N ATOM 136 CZ ARG A 9 -0.088 12.381 4.309 1.00 2.39 C ATOM 137 NH1 ARG A 9 0.959 13.117 3.909 1.00 2.66 N ATOM 138 NH2 ARG A 9 -1.300 12.634 3.797 1.00 4.06 N ATOM 0 H ARG A 9 1.473 7.627 9.184 1.00 1.01 H new ATOM 0 HA ARG A 9 -1.029 9.102 8.728 1.00 1.09 H new ATOM 0 HB2 ARG A 9 1.102 8.202 6.713 1.00 1.28 H new ATOM 0 HB3 ARG A 9 -0.410 8.969 6.267 1.00 1.28 H new ATOM 0 HG2 ARG A 9 0.336 10.929 7.822 1.00 1.51 H new ATOM 0 HG3 ARG A 9 1.924 10.189 7.788 1.00 1.51 H new ATOM 0 HD2 ARG A 9 1.915 11.858 6.055 1.00 1.26 H new ATOM 0 HD3 ARG A 9 1.849 10.306 5.245 1.00 1.26 H new ATOM 0 HE ARG A 9 -0.801 10.869 5.447 1.00 1.82 H new ATOM 0 HH11 ARG A 9 1.887 12.932 4.289 1.00 2.66 H new ATOM 0 HH12 ARG A 9 0.827 13.861 3.224 1.00 2.66 H new ATOM 0 HH21 ARG A 9 -2.104 12.079 4.091 1.00 4.06 H new ATOM 0 HH22 ARG A 9 -1.419 13.381 3.113 1.00 4.06 H new ATOM 152 N CYS A 10 -0.607 5.933 8.422 1.00 0.84 N ATOM 153 CA CYS A 10 -1.080 4.649 7.873 1.00 0.78 C ATOM 154 C CYS A 10 -1.327 3.528 8.898 1.00 0.78 C ATOM 155 O CYS A 10 -1.931 2.511 8.546 1.00 0.80 O ATOM 156 CB CYS A 10 -0.019 4.140 6.893 1.00 0.79 C ATOM 157 SG CYS A 10 0.633 5.314 5.666 1.00 1.27 S ATOM 0 H CYS A 10 0.139 5.836 9.111 1.00 0.84 H new ATOM 0 HA CYS A 10 -2.048 4.865 7.421 1.00 0.78 H new ATOM 0 HB2 CYS A 10 0.822 3.763 7.475 1.00 0.79 H new ATOM 0 HB3 CYS A 10 -0.440 3.291 6.354 1.00 0.79 H new ATOM 162 N SER A 11 -0.838 3.664 10.137 1.00 0.94 N ATOM 163 CA SER A 11 -0.720 2.562 11.111 1.00 1.23 C ATOM 164 C SER A 11 -1.980 2.289 11.952 1.00 1.54 C ATOM 165 O SER A 11 -1.979 1.392 12.796 1.00 2.58 O ATOM 166 CB SER A 11 0.506 2.817 11.997 1.00 1.59 C ATOM 167 OG SER A 11 0.883 1.662 12.718 1.00 2.61 O ATOM 0 H SER A 11 -0.506 4.557 10.501 1.00 0.94 H new ATOM 0 HA SER A 11 -0.596 1.646 10.533 1.00 1.23 H new ATOM 0 HB2 SER A 11 1.340 3.147 11.377 1.00 1.59 H new ATOM 0 HB3 SER A 11 0.288 3.626 12.695 1.00 1.59 H new ATOM 0 HG SER A 11 0.084 1.140 12.940 1.00 2.61 H new ATOM 173 N SER A 12 -3.064 3.046 11.760 1.00 1.30 N ATOM 174 CA SER A 12 -4.313 2.905 12.532 1.00 1.59 C ATOM 175 C SER A 12 -5.459 2.236 11.758 1.00 1.23 C ATOM 176 O SER A 12 -6.407 1.769 12.390 1.00 1.54 O ATOM 177 CB SER A 12 -4.719 4.253 13.138 1.00 2.30 C ATOM 178 OG SER A 12 -3.744 4.643 14.095 1.00 3.83 O ATOM 0 H SER A 12 -3.105 3.784 11.057 1.00 1.30 H new ATOM 0 HA SER A 12 -4.102 2.211 13.345 1.00 1.59 H new ATOM 0 HB2 SER A 12 -4.802 5.008 12.356 1.00 2.30 H new ATOM 0 HB3 SER A 12 -5.699 4.174 13.609 1.00 2.30 H new ATOM 0 HG SER A 12 -3.996 5.506 14.486 1.00 3.83 H new ATOM 184 N CYS A 13 -5.363 2.108 10.429 1.00 0.92 N ATOM 185 CA CYS A 13 -6.112 1.104 9.655 1.00 0.86 C ATOM 186 C CYS A 13 -5.321 -0.206 9.511 1.00 0.89 C ATOM 187 O CYS A 13 -5.876 -1.286 9.709 1.00 1.39 O ATOM 188 CB CYS A 13 -6.462 1.616 8.249 1.00 0.87 C ATOM 189 SG CYS A 13 -7.761 2.884 8.109 1.00 0.75 S ATOM 0 H CYS A 13 -4.762 2.699 9.855 1.00 0.92 H new ATOM 0 HA CYS A 13 -7.030 0.916 10.212 1.00 0.86 H new ATOM 0 HB2 CYS A 13 -5.552 2.017 7.802 1.00 0.87 H new ATOM 0 HB3 CYS A 13 -6.763 0.760 7.646 1.00 0.87 H new ATOM 194 N HIS A 14 -4.033 -0.118 9.150 1.00 0.87 N ATOM 195 CA HIS A 14 -3.171 -1.262 8.830 1.00 0.87 C ATOM 196 C HIS A 14 -2.394 -1.834 10.025 1.00 0.80 C ATOM 197 O HIS A 14 -2.386 -1.310 11.141 1.00 1.07 O ATOM 198 CB HIS A 14 -2.187 -0.851 7.718 1.00 1.15 C ATOM 199 CG HIS A 14 -2.798 -0.822 6.359 1.00 0.67 C ATOM 200 ND1 HIS A 14 -2.981 -1.896 5.532 1.00 1.70 N ATOM 201 CD2 HIS A 14 -3.115 0.304 5.673 1.00 1.15 C ATOM 202 CE1 HIS A 14 -3.402 -1.421 4.353 1.00 1.87 C ATOM 203 NE2 HIS A 14 -3.504 -0.072 4.375 1.00 0.76 N ATOM 0 H HIS A 14 -3.550 0.777 9.071 1.00 0.87 H new ATOM 0 HA HIS A 14 -3.834 -2.063 8.504 1.00 0.87 H new ATOM 0 HB2 HIS A 14 -1.785 0.136 7.947 1.00 1.15 H new ATOM 0 HB3 HIS A 14 -1.346 -1.545 7.714 1.00 1.15 H new ATOM 0 HD1 HIS A 14 -2.826 -2.876 5.769 1.00 1.70 H new ATOM 0 HD2 HIS A 14 -3.076 1.313 6.056 1.00 1.15 H new ATOM 0 HE1 HIS A 14 -3.631 -2.036 3.495 1.00 1.87 H new ATOM 211 N THR A 15 -1.664 -2.893 9.695 1.00 0.85 N ATOM 212 CA THR A 15 -0.537 -3.456 10.448 1.00 0.98 C ATOM 213 C THR A 15 0.592 -3.844 9.483 1.00 0.81 C ATOM 214 O THR A 15 0.342 -4.099 8.304 1.00 0.84 O ATOM 215 CB THR A 15 -0.948 -4.676 11.294 1.00 1.42 C ATOM 216 OG1 THR A 15 -1.768 -5.569 10.577 1.00 2.06 O ATOM 217 CG2 THR A 15 -1.718 -4.297 12.554 1.00 1.59 C ATOM 0 H THR A 15 -1.851 -3.419 8.841 1.00 0.85 H new ATOM 0 HA THR A 15 -0.189 -2.687 11.137 1.00 0.98 H new ATOM 0 HB THR A 15 -0.001 -5.145 11.561 1.00 1.42 H new ATOM 0 HG1 THR A 15 -1.232 -6.329 10.269 1.00 2.06 H new ATOM 0 HG21 THR A 15 -1.979 -5.200 13.106 1.00 1.59 H new ATOM 0 HG22 THR A 15 -1.098 -3.655 13.180 1.00 1.59 H new ATOM 0 HG23 THR A 15 -2.628 -3.765 12.278 1.00 1.59 H new ATOM 225 N VAL A 16 1.836 -3.905 9.967 1.00 0.88 N ATOM 226 CA VAL A 16 2.963 -4.521 9.240 1.00 0.83 C ATOM 227 C VAL A 16 3.457 -5.711 10.051 1.00 1.02 C ATOM 228 O VAL A 16 4.347 -5.589 10.894 1.00 1.26 O ATOM 229 CB VAL A 16 4.112 -3.541 8.905 1.00 0.92 C ATOM 230 CG1 VAL A 16 4.965 -4.156 7.789 1.00 1.36 C ATOM 231 CG2 VAL A 16 3.647 -2.163 8.440 1.00 1.43 C ATOM 0 H VAL A 16 2.097 -3.528 10.878 1.00 0.88 H new ATOM 0 HA VAL A 16 2.597 -4.845 8.266 1.00 0.83 H new ATOM 0 HB VAL A 16 4.669 -3.391 9.830 1.00 0.92 H new ATOM 0 HG11 VAL A 16 5.781 -3.478 7.539 1.00 1.36 H new ATOM 0 HG12 VAL A 16 5.375 -5.108 8.127 1.00 1.36 H new ATOM 0 HG13 VAL A 16 4.346 -4.320 6.907 1.00 1.36 H new ATOM 0 HG21 VAL A 16 4.515 -1.539 8.226 1.00 1.43 H new ATOM 0 HG22 VAL A 16 3.044 -2.268 7.538 1.00 1.43 H new ATOM 0 HG23 VAL A 16 3.049 -1.697 9.223 1.00 1.43 H new ATOM 241 N GLY A 17 2.822 -6.864 9.838 1.00 1.10 N ATOM 242 CA GLY A 17 3.199 -8.126 10.492 1.00 1.34 C ATOM 243 C GLY A 17 2.813 -8.269 11.970 1.00 1.44 C ATOM 244 O GLY A 17 2.980 -9.350 12.529 1.00 1.81 O ATOM 0 H GLY A 17 2.027 -6.953 9.205 1.00 1.10 H new ATOM 0 HA2 GLY A 17 2.743 -8.947 9.939 1.00 1.34 H new ATOM 0 HA3 GLY A 17 4.279 -8.245 10.408 1.00 1.34 H new ATOM 248 N ASN A 18 2.224 -7.242 12.592 1.00 1.63 N ATOM 249 CA ASN A 18 1.449 -7.385 13.836 1.00 2.13 C ATOM 250 C ASN A 18 0.062 -8.033 13.580 1.00 2.43 C ATOM 251 O ASN A 18 -0.777 -8.125 14.476 1.00 3.19 O ATOM 252 CB ASN A 18 1.349 -6.006 14.518 1.00 2.56 C ATOM 253 CG ASN A 18 0.825 -6.064 15.946 1.00 3.64 C ATOM 254 OD1 ASN A 18 1.033 -7.019 16.685 1.00 4.57 O ATOM 255 ND2 ASN A 18 0.159 -5.030 16.402 1.00 4.28 N ATOM 0 H ASN A 18 2.270 -6.283 12.248 1.00 1.63 H new ATOM 0 HA ASN A 18 1.964 -8.069 14.511 1.00 2.13 H new ATOM 0 HB2 ASN A 18 2.334 -5.540 14.521 1.00 2.56 H new ATOM 0 HB3 ASN A 18 0.695 -5.365 13.927 1.00 2.56 H new ATOM 0 HD21 ASN A 18 -0.181 -5.026 17.364 1.00 4.28 H new ATOM 0 HD22 ASN A 18 -0.019 -4.230 15.795 1.00 4.28 H new ATOM 262 N THR A 19 -0.210 -8.436 12.338 1.00 2.80 N ATOM 263 CA THR A 19 -1.480 -8.998 11.867 1.00 3.66 C ATOM 264 C THR A 19 -1.684 -10.432 12.357 1.00 4.77 C ATOM 265 O THR A 19 -0.753 -11.245 12.363 1.00 5.62 O ATOM 266 CB THR A 19 -1.550 -8.979 10.327 1.00 4.75 C ATOM 267 OG1 THR A 19 -0.757 -7.937 9.799 1.00 5.04 O ATOM 268 CG2 THR A 19 -2.981 -8.781 9.835 1.00 5.80 C ATOM 0 H THR A 19 0.485 -8.377 11.594 1.00 2.80 H new ATOM 0 HA THR A 19 -2.272 -8.373 12.279 1.00 3.66 H new ATOM 0 HB THR A 19 -1.177 -9.945 9.986 1.00 4.75 H new ATOM 0 HG1 THR A 19 0.099 -8.302 9.490 1.00 5.04 H new ATOM 0 HG21 THR A 19 -2.993 -8.773 8.745 1.00 5.80 H new ATOM 0 HG22 THR A 19 -3.607 -9.596 10.199 1.00 5.80 H new ATOM 0 HG23 THR A 19 -3.367 -7.833 10.209 1.00 5.80 H new ATOM 276 N GLU A 20 -2.925 -10.757 12.712 1.00 5.41 N ATOM 277 CA GLU A 20 -3.378 -12.106 13.079 1.00 6.92 C ATOM 278 C GLU A 20 -4.351 -12.663 12.018 1.00 7.76 C ATOM 279 O GLU A 20 -4.934 -11.872 11.265 1.00 7.32 O ATOM 280 CB GLU A 20 -4.020 -12.055 14.477 1.00 7.42 C ATOM 281 CG GLU A 20 -3.004 -11.681 15.567 1.00 7.50 C ATOM 282 CD GLU A 20 -3.499 -12.052 16.968 1.00 8.77 C ATOM 283 OE1 GLU A 20 -4.654 -11.715 17.333 1.00 9.45 O ATOM 284 OE2 GLU A 20 -2.734 -12.712 17.716 1.00 9.56 O ATOM 0 H GLU A 20 -3.674 -10.066 12.755 1.00 5.41 H new ATOM 0 HA GLU A 20 -2.527 -12.786 13.112 1.00 6.92 H new ATOM 0 HB2 GLU A 20 -4.833 -11.329 14.476 1.00 7.42 H new ATOM 0 HB3 GLU A 20 -4.459 -13.025 14.709 1.00 7.42 H new ATOM 0 HG2 GLU A 20 -2.059 -12.188 15.371 1.00 7.50 H new ATOM 0 HG3 GLU A 20 -2.806 -10.610 15.525 1.00 7.50 H new ATOM 291 N PRO A 21 -4.558 -13.993 11.930 1.00 9.23 N ATOM 292 CA PRO A 21 -5.501 -14.604 10.984 1.00 10.35 C ATOM 293 C PRO A 21 -6.976 -14.252 11.265 1.00 10.38 C ATOM 294 O PRO A 21 -7.299 -13.555 12.230 1.00 9.82 O ATOM 295 CB PRO A 21 -5.226 -16.114 11.064 1.00 11.88 C ATOM 296 CG PRO A 21 -4.696 -16.301 12.485 1.00 11.63 C ATOM 297 CD PRO A 21 -3.874 -15.033 12.690 1.00 10.14 C ATOM 0 HA PRO A 21 -5.346 -14.216 9.977 1.00 10.35 H new ATOM 0 HB2 PRO A 21 -6.131 -16.697 10.892 1.00 11.88 H new ATOM 0 HB3 PRO A 21 -4.497 -16.430 10.318 1.00 11.88 H new ATOM 0 HG2 PRO A 21 -5.503 -16.386 13.213 1.00 11.63 H new ATOM 0 HG3 PRO A 21 -4.087 -17.201 12.578 1.00 11.63 H new ATOM 0 HD2 PRO A 21 -3.815 -14.771 13.746 1.00 10.14 H new ATOM 0 HD3 PRO A 21 -2.852 -15.168 12.337 1.00 10.14 H new ATOM 305 N GLY A 22 -7.886 -14.718 10.406 1.00 11.23 N ATOM 306 CA GLY A 22 -9.337 -14.523 10.549 1.00 11.51 C ATOM 307 C GLY A 22 -9.894 -13.310 9.794 1.00 10.81 C ATOM 308 O GLY A 22 -9.233 -12.762 8.911 1.00 10.80 O ATOM 0 H GLY A 22 -7.633 -15.252 9.575 1.00 11.23 H new ATOM 0 HA2 GLY A 22 -9.848 -15.420 10.197 1.00 11.51 H new ATOM 0 HA3 GLY A 22 -9.574 -14.416 11.608 1.00 11.51 H new ATOM 312 N GLN A 23 -11.129 -12.906 10.110 1.00 10.56 N ATOM 313 CA GLN A 23 -11.871 -11.924 9.306 1.00 10.33 C ATOM 314 C GLN A 23 -11.214 -10.520 9.271 1.00 8.77 C ATOM 315 O GLN A 23 -10.691 -10.064 10.292 1.00 7.93 O ATOM 316 CB GLN A 23 -13.351 -11.866 9.727 1.00 11.08 C ATOM 317 CG GLN A 23 -13.631 -11.238 11.101 1.00 10.67 C ATOM 318 CD GLN A 23 -15.125 -11.270 11.407 1.00 12.03 C ATOM 319 OE1 GLN A 23 -15.651 -12.238 11.943 1.00 13.02 O ATOM 320 NE2 GLN A 23 -15.886 -10.269 11.017 1.00 12.55 N ATOM 0 H GLN A 23 -11.641 -13.246 10.924 1.00 10.56 H new ATOM 0 HA GLN A 23 -11.829 -12.279 8.276 1.00 10.33 H new ATOM 0 HB2 GLN A 23 -13.902 -11.304 8.973 1.00 11.08 H new ATOM 0 HB3 GLN A 23 -13.750 -12.880 9.724 1.00 11.08 H new ATOM 0 HG2 GLN A 23 -13.084 -11.779 11.873 1.00 10.67 H new ATOM 0 HG3 GLN A 23 -13.272 -10.209 11.117 1.00 10.67 H new ATOM 0 HE21 GLN A 23 -15.467 -9.454 10.569 1.00 12.55 H new ATOM 0 HE22 GLN A 23 -16.895 -10.308 11.163 1.00 12.55 H new ATOM 329 N PRO A 24 -11.260 -9.812 8.126 1.00 8.69 N ATOM 330 CA PRO A 24 -10.616 -8.508 7.942 1.00 7.53 C ATOM 331 C PRO A 24 -11.311 -7.369 8.705 1.00 6.21 C ATOM 332 O PRO A 24 -12.491 -7.457 9.071 1.00 6.52 O ATOM 333 CB PRO A 24 -10.636 -8.266 6.426 1.00 8.63 C ATOM 334 CG PRO A 24 -11.891 -9.005 5.980 1.00 10.11 C ATOM 335 CD PRO A 24 -11.893 -10.232 6.882 1.00 10.18 C ATOM 0 HA PRO A 24 -9.605 -8.518 8.350 1.00 7.53 H new ATOM 0 HB2 PRO A 24 -10.686 -7.204 6.187 1.00 8.63 H new ATOM 0 HB3 PRO A 24 -9.742 -8.660 5.942 1.00 8.63 H new ATOM 0 HG2 PRO A 24 -12.787 -8.400 6.117 1.00 10.11 H new ATOM 0 HG3 PRO A 24 -11.848 -9.277 4.925 1.00 10.11 H new ATOM 0 HD2 PRO A 24 -12.909 -10.585 7.060 1.00 10.18 H new ATOM 0 HD3 PRO A 24 -11.345 -11.055 6.423 1.00 10.18 H new ATOM 343 N GLY A 25 -10.568 -6.283 8.918 1.00 5.24 N ATOM 344 CA GLY A 25 -11.039 -4.977 9.388 1.00 4.29 C ATOM 345 C GLY A 25 -10.809 -3.886 8.334 1.00 3.48 C ATOM 346 O GLY A 25 -11.130 -4.074 7.154 1.00 4.13 O ATOM 0 H GLY A 25 -9.561 -6.290 8.758 1.00 5.24 H new ATOM 0 HA2 GLY A 25 -12.101 -5.036 9.627 1.00 4.29 H new ATOM 0 HA3 GLY A 25 -10.519 -4.711 10.309 1.00 4.29 H new ATOM 350 N ILE A 26 -10.238 -2.749 8.743 1.00 2.44 N ATOM 351 CA ILE A 26 -10.026 -1.568 7.880 1.00 2.27 C ATOM 352 C ILE A 26 -8.769 -1.646 6.991 1.00 3.05 C ATOM 353 O ILE A 26 -8.684 -0.917 6.005 1.00 4.54 O ATOM 354 CB ILE A 26 -10.008 -0.229 8.656 1.00 1.65 C ATOM 355 CG1 ILE A 26 -10.490 -0.328 10.116 1.00 1.42 C ATOM 356 CG2 ILE A 26 -10.834 0.804 7.860 1.00 2.43 C ATOM 357 CD1 ILE A 26 -10.507 1.029 10.809 1.00 1.47 C ATOM 0 H ILE A 26 -9.903 -2.615 9.697 1.00 2.44 H new ATOM 0 HA ILE A 26 -10.900 -1.588 7.229 1.00 2.27 H new ATOM 0 HB ILE A 26 -8.968 0.086 8.740 1.00 1.65 H new ATOM 0 HG12 ILE A 26 -11.491 -0.758 10.138 1.00 1.42 H new ATOM 0 HG13 ILE A 26 -9.839 -1.007 10.667 1.00 1.42 H new ATOM 0 HG21 ILE A 26 -10.834 1.756 8.390 1.00 2.43 H new ATOM 0 HG22 ILE A 26 -10.393 0.939 6.872 1.00 2.43 H new ATOM 0 HG23 ILE A 26 -11.859 0.447 7.755 1.00 2.43 H new ATOM 0 HD11 ILE A 26 -10.854 0.909 11.835 1.00 1.47 H new ATOM 0 HD12 ILE A 26 -9.501 1.448 10.812 1.00 1.47 H new ATOM 0 HD13 ILE A 26 -11.179 1.702 10.276 1.00 1.47 H new ATOM 369 N GLY A 27 -7.774 -2.472 7.330 1.00 2.41 N ATOM 370 CA GLY A 27 -6.472 -2.482 6.651 1.00 3.37 C ATOM 371 C GLY A 27 -5.694 -3.802 6.797 1.00 2.57 C ATOM 372 O GLY A 27 -5.318 -4.142 7.923 1.00 2.41 O ATOM 0 H GLY A 27 -7.848 -3.154 8.084 1.00 2.41 H new ATOM 0 HA2 GLY A 27 -6.626 -2.280 5.591 1.00 3.37 H new ATOM 0 HA3 GLY A 27 -5.863 -1.669 7.046 1.00 3.37 H new ATOM 376 N PRO A 28 -5.390 -4.518 5.692 1.00 2.37 N ATOM 377 CA PRO A 28 -4.663 -5.796 5.734 1.00 1.92 C ATOM 378 C PRO A 28 -3.175 -5.670 6.112 1.00 1.60 C ATOM 379 O PRO A 28 -2.648 -4.566 6.262 1.00 1.61 O ATOM 380 CB PRO A 28 -4.840 -6.428 4.344 1.00 2.22 C ATOM 381 CG PRO A 28 -6.000 -5.672 3.706 1.00 2.62 C ATOM 382 CD PRO A 28 -5.914 -4.295 4.348 1.00 2.79 C ATOM 0 HA PRO A 28 -5.075 -6.419 6.528 1.00 1.92 H new ATOM 0 HB2 PRO A 28 -3.932 -6.331 3.749 1.00 2.22 H new ATOM 0 HB3 PRO A 28 -5.059 -7.493 4.421 1.00 2.22 H new ATOM 0 HG2 PRO A 28 -5.898 -5.618 2.622 1.00 2.62 H new ATOM 0 HG3 PRO A 28 -6.956 -6.153 3.912 1.00 2.62 H new ATOM 0 HD2 PRO A 28 -5.259 -3.637 3.777 1.00 2.79 H new ATOM 0 HD3 PRO A 28 -6.893 -3.818 4.384 1.00 2.79 H new ATOM 390 N ASP A 29 -2.479 -6.806 6.211 1.00 1.56 N ATOM 391 CA ASP A 29 -1.023 -6.879 6.426 1.00 1.43 C ATOM 392 C ASP A 29 -0.220 -6.225 5.281 1.00 1.46 C ATOM 393 O ASP A 29 -0.722 -6.016 4.170 1.00 2.16 O ATOM 394 CB ASP A 29 -0.630 -8.362 6.579 1.00 2.05 C ATOM 395 CG ASP A 29 0.841 -8.653 6.924 1.00 2.39 C ATOM 396 OD1 ASP A 29 1.574 -7.772 7.438 1.00 2.78 O ATOM 397 OD2 ASP A 29 1.281 -9.780 6.584 1.00 3.43 O ATOM 0 H ASP A 29 -2.918 -7.724 6.143 1.00 1.56 H new ATOM 0 HA ASP A 29 -0.779 -6.319 7.329 1.00 1.43 H new ATOM 0 HB2 ASP A 29 -1.255 -8.802 7.356 1.00 2.05 H new ATOM 0 HB3 ASP A 29 -0.870 -8.876 5.648 1.00 2.05 H new ATOM 402 N LEU A 30 1.050 -5.926 5.555 1.00 1.04 N ATOM 403 CA LEU A 30 2.017 -5.269 4.675 1.00 1.05 C ATOM 404 C LEU A 30 3.449 -5.844 4.770 1.00 1.04 C ATOM 405 O LEU A 30 4.274 -5.495 3.924 1.00 1.31 O ATOM 406 CB LEU A 30 2.047 -3.775 5.046 1.00 0.97 C ATOM 407 CG LEU A 30 0.712 -3.026 4.920 1.00 0.98 C ATOM 408 CD1 LEU A 30 0.842 -1.615 5.490 1.00 1.00 C ATOM 409 CD2 LEU A 30 0.293 -2.870 3.456 1.00 1.73 C ATOM 0 H LEU A 30 1.459 -6.152 6.462 1.00 1.04 H new ATOM 0 HA LEU A 30 1.693 -5.439 3.648 1.00 1.05 H new ATOM 0 HB2 LEU A 30 2.398 -3.683 6.074 1.00 0.97 H new ATOM 0 HB3 LEU A 30 2.782 -3.278 4.413 1.00 0.97 H new ATOM 0 HG LEU A 30 -0.028 -3.611 5.465 1.00 0.98 H new ATOM 0 HD11 LEU A 30 -0.111 -1.095 5.395 1.00 1.00 H new ATOM 0 HD12 LEU A 30 1.121 -1.672 6.542 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.609 -1.070 4.940 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -0.656 -2.336 3.404 1.00 1.73 H new ATOM 0 HD22 LEU A 30 1.056 -2.308 2.917 1.00 1.73 H new ATOM 0 HD23 LEU A 30 0.180 -3.855 3.003 1.00 1.73 H new ATOM 421 N LEU A 31 3.788 -6.683 5.763 1.00 0.92 N ATOM 422 CA LEU A 31 5.190 -7.051 6.075 1.00 1.12 C ATOM 423 C LEU A 31 5.930 -7.682 4.901 1.00 1.64 C ATOM 424 O LEU A 31 7.071 -7.329 4.609 1.00 3.74 O ATOM 425 CB LEU A 31 5.216 -7.939 7.325 1.00 0.96 C ATOM 426 CG LEU A 31 6.662 -8.227 7.783 1.00 1.41 C ATOM 427 CD1 LEU A 31 6.743 -8.277 9.301 1.00 2.52 C ATOM 428 CD2 LEU A 31 7.189 -9.553 7.238 1.00 1.72 C ATOM 0 H LEU A 31 3.103 -7.128 6.374 1.00 0.92 H new ATOM 0 HA LEU A 31 5.738 -6.131 6.279 1.00 1.12 H new ATOM 0 HB2 LEU A 31 4.668 -7.451 8.131 1.00 0.96 H new ATOM 0 HB3 LEU A 31 4.705 -8.879 7.116 1.00 0.96 H new ATOM 0 HG LEU A 31 7.274 -7.415 7.391 1.00 1.41 H new ATOM 0 HD11 LEU A 31 7.770 -8.481 9.604 1.00 2.52 H new ATOM 0 HD12 LEU A 31 6.426 -7.319 9.714 1.00 2.52 H new ATOM 0 HD13 LEU A 31 6.091 -9.067 9.674 1.00 2.52 H new ATOM 0 HD21 LEU A 31 8.209 -9.710 7.588 1.00 1.72 H new ATOM 0 HD22 LEU A 31 6.555 -10.368 7.588 1.00 1.72 H new ATOM 0 HD23 LEU A 31 7.179 -9.528 6.148 1.00 1.72 H new ATOM 440 N GLY A 32 5.252 -8.593 4.225 1.00 1.04 N ATOM 441 CA GLY A 32 5.760 -9.326 3.065 1.00 1.00 C ATOM 442 C GLY A 32 5.301 -8.768 1.718 1.00 0.84 C ATOM 443 O GLY A 32 5.816 -9.185 0.685 1.00 0.89 O ATOM 0 H GLY A 32 4.298 -8.856 4.473 1.00 1.04 H new ATOM 0 HA2 GLY A 32 6.850 -9.320 3.095 1.00 1.00 H new ATOM 0 HA3 GLY A 32 5.444 -10.367 3.141 1.00 1.00 H new ATOM 447 N VAL A 33 4.341 -7.837 1.676 1.00 0.82 N ATOM 448 CA VAL A 33 3.605 -7.541 0.433 1.00 0.79 C ATOM 449 C VAL A 33 4.494 -7.044 -0.716 1.00 0.70 C ATOM 450 O VAL A 33 4.282 -7.457 -1.854 1.00 0.72 O ATOM 451 CB VAL A 33 2.401 -6.620 0.703 1.00 0.93 C ATOM 452 CG1 VAL A 33 2.746 -5.126 0.787 1.00 1.65 C ATOM 453 CG2 VAL A 33 1.338 -6.827 -0.375 1.00 1.61 C ATOM 0 H VAL A 33 4.054 -7.278 2.479 1.00 0.82 H new ATOM 0 HA VAL A 33 3.214 -8.494 0.076 1.00 0.79 H new ATOM 0 HB VAL A 33 2.030 -6.905 1.688 1.00 0.93 H new ATOM 0 HG11 VAL A 33 1.839 -4.553 0.979 1.00 1.65 H new ATOM 0 HG12 VAL A 33 3.457 -4.962 1.597 1.00 1.65 H new ATOM 0 HG13 VAL A 33 3.187 -4.801 -0.155 1.00 1.65 H new ATOM 0 HG21 VAL A 33 0.489 -6.173 -0.179 1.00 1.61 H new ATOM 0 HG22 VAL A 33 1.760 -6.591 -1.352 1.00 1.61 H new ATOM 0 HG23 VAL A 33 1.006 -7.865 -0.364 1.00 1.61 H new ATOM 463 N THR A 34 5.554 -6.275 -0.433 1.00 0.77 N ATOM 464 CA THR A 34 6.540 -5.821 -1.447 1.00 0.91 C ATOM 465 C THR A 34 7.294 -6.969 -2.128 1.00 0.94 C ATOM 466 O THR A 34 7.762 -6.800 -3.259 1.00 1.12 O ATOM 467 CB THR A 34 7.570 -4.845 -0.848 1.00 1.17 C ATOM 468 OG1 THR A 34 8.199 -5.407 0.283 1.00 2.32 O ATOM 469 CG2 THR A 34 6.939 -3.517 -0.443 1.00 2.87 C ATOM 0 H THR A 34 5.761 -5.944 0.509 1.00 0.77 H new ATOM 0 HA THR A 34 5.941 -5.314 -2.203 1.00 0.91 H new ATOM 0 HB THR A 34 8.305 -4.659 -1.631 1.00 1.17 H new ATOM 0 HG1 THR A 34 8.850 -4.770 0.645 1.00 2.32 H new ATOM 0 HG21 THR A 34 7.705 -2.863 -0.026 1.00 2.87 H new ATOM 0 HG22 THR A 34 6.494 -3.044 -1.318 1.00 2.87 H new ATOM 0 HG23 THR A 34 6.167 -3.694 0.305 1.00 2.87 H new ATOM 477 N ARG A 35 7.369 -8.138 -1.480 1.00 0.95 N ATOM 478 CA ARG A 35 7.951 -9.400 -1.967 1.00 1.14 C ATOM 479 C ARG A 35 6.894 -10.365 -2.533 1.00 1.15 C ATOM 480 O ARG A 35 7.213 -11.142 -3.434 1.00 1.49 O ATOM 481 CB ARG A 35 8.750 -10.026 -0.805 1.00 1.41 C ATOM 482 CG ARG A 35 9.503 -11.326 -1.132 1.00 1.68 C ATOM 483 CD ARG A 35 10.594 -11.150 -2.194 1.00 2.85 C ATOM 484 NE ARG A 35 11.330 -12.408 -2.389 1.00 3.73 N ATOM 485 CZ ARG A 35 12.531 -12.535 -2.983 1.00 5.18 C ATOM 486 NH1 ARG A 35 13.182 -11.476 -3.493 1.00 6.07 N ATOM 487 NH2 ARG A 35 13.089 -13.749 -3.065 1.00 6.10 N ATOM 0 H ARG A 35 6.999 -8.236 -0.535 1.00 0.95 H new ATOM 0 HA ARG A 35 8.613 -9.194 -2.808 1.00 1.14 H new ATOM 0 HB2 ARG A 35 9.471 -9.291 -0.448 1.00 1.41 H new ATOM 0 HB3 ARG A 35 8.063 -10.224 0.018 1.00 1.41 H new ATOM 0 HG2 ARG A 35 9.955 -11.714 -0.219 1.00 1.68 H new ATOM 0 HG3 ARG A 35 8.789 -12.073 -1.477 1.00 1.68 H new ATOM 0 HD2 ARG A 35 10.145 -10.834 -3.136 1.00 2.85 H new ATOM 0 HD3 ARG A 35 11.283 -10.362 -1.889 1.00 2.85 H new ATOM 0 HE ARG A 35 10.891 -13.261 -2.043 1.00 3.73 H new ATOM 0 HH11 ARG A 35 12.767 -10.546 -3.435 1.00 6.07 H new ATOM 0 HH12 ARG A 35 14.091 -11.602 -3.938 1.00 6.07 H new ATOM 0 HH21 ARG A 35 12.604 -14.560 -2.681 1.00 6.10 H new ATOM 0 HH22 ARG A 35 13.999 -13.863 -3.512 1.00 6.10 H new ATOM 501 N GLN A 36 5.656 -10.326 -2.031 1.00 1.02 N ATOM 502 CA GLN A 36 4.599 -11.300 -2.359 1.00 1.19 C ATOM 503 C GLN A 36 3.610 -10.858 -3.464 1.00 1.15 C ATOM 504 O GLN A 36 2.990 -11.720 -4.089 1.00 1.45 O ATOM 505 CB GLN A 36 3.850 -11.722 -1.081 1.00 1.37 C ATOM 506 CG GLN A 36 4.724 -12.315 0.044 1.00 2.27 C ATOM 507 CD GLN A 36 5.514 -13.568 -0.316 1.00 3.44 C ATOM 508 OE1 GLN A 36 6.733 -13.550 -0.409 1.00 4.73 O ATOM 509 NE2 GLN A 36 4.885 -14.711 -0.487 1.00 3.93 N ATOM 0 H GLN A 36 5.351 -9.607 -1.375 1.00 1.02 H new ATOM 0 HA GLN A 36 5.119 -12.156 -2.789 1.00 1.19 H new ATOM 0 HB2 GLN A 36 3.324 -10.852 -0.687 1.00 1.37 H new ATOM 0 HB3 GLN A 36 3.092 -12.457 -1.352 1.00 1.37 H new ATOM 0 HG2 GLN A 36 5.426 -11.549 0.374 1.00 2.27 H new ATOM 0 HG3 GLN A 36 4.081 -12.546 0.893 1.00 2.27 H new ATOM 0 HE21 GLN A 36 3.868 -14.750 -0.414 1.00 3.93 H new ATOM 0 HE22 GLN A 36 5.414 -15.558 -0.693 1.00 3.93 H new ATOM 518 N ARG A 37 3.467 -9.554 -3.754 1.00 0.99 N ATOM 519 CA ARG A 37 2.625 -9.027 -4.857 1.00 1.12 C ATOM 520 C ARG A 37 3.393 -8.127 -5.834 1.00 1.13 C ATOM 521 O ARG A 37 4.531 -7.737 -5.574 1.00 1.64 O ATOM 522 CB ARG A 37 1.351 -8.367 -4.290 1.00 1.51 C ATOM 523 CG ARG A 37 0.210 -9.396 -4.209 1.00 2.21 C ATOM 524 CD ARG A 37 -1.113 -8.781 -3.737 1.00 1.73 C ATOM 525 NE ARG A 37 -1.115 -8.507 -2.294 1.00 1.67 N ATOM 526 CZ ARG A 37 -1.552 -9.337 -1.329 1.00 2.26 C ATOM 527 NH1 ARG A 37 -2.012 -10.566 -1.607 1.00 2.93 N ATOM 528 NH2 ARG A 37 -1.523 -8.919 -0.056 1.00 2.82 N ATOM 0 H ARG A 37 3.938 -8.820 -3.225 1.00 0.99 H new ATOM 0 HA ARG A 37 2.314 -9.875 -5.467 1.00 1.12 H new ATOM 0 HB2 ARG A 37 1.554 -7.959 -3.300 1.00 1.51 H new ATOM 0 HB3 ARG A 37 1.053 -7.532 -4.923 1.00 1.51 H new ATOM 0 HG2 ARG A 37 0.065 -9.849 -5.190 1.00 2.21 H new ATOM 0 HG3 ARG A 37 0.497 -10.197 -3.527 1.00 2.21 H new ATOM 0 HD2 ARG A 37 -1.295 -7.854 -4.281 1.00 1.73 H new ATOM 0 HD3 ARG A 37 -1.933 -9.458 -3.977 1.00 1.73 H new ATOM 0 HE ARG A 37 -0.751 -7.602 -1.995 1.00 1.67 H new ATOM 0 HH11 ARG A 37 -2.037 -10.895 -2.572 1.00 2.93 H new ATOM 0 HH12 ARG A 37 -2.336 -11.172 -0.853 1.00 2.93 H new ATOM 0 HH21 ARG A 37 -1.174 -7.987 0.167 1.00 2.82 H new ATOM 0 HH22 ARG A 37 -1.850 -9.533 0.690 1.00 2.82 H new ATOM 542 N ASP A 38 2.778 -7.859 -6.990 1.00 1.20 N ATOM 543 CA ASP A 38 3.395 -7.185 -8.143 1.00 1.31 C ATOM 544 C ASP A 38 3.986 -5.794 -7.807 1.00 1.26 C ATOM 545 O ASP A 38 3.299 -4.884 -7.340 1.00 1.39 O ATOM 546 CB ASP A 38 2.385 -7.127 -9.304 1.00 1.57 C ATOM 547 CG ASP A 38 2.271 -8.473 -10.029 1.00 2.90 C ATOM 548 OD1 ASP A 38 3.117 -8.736 -10.915 1.00 2.92 O ATOM 549 OD2 ASP A 38 1.363 -9.286 -9.725 1.00 4.58 O ATOM 0 H ASP A 38 1.804 -8.113 -7.157 1.00 1.20 H new ATOM 0 HA ASP A 38 4.256 -7.779 -8.450 1.00 1.31 H new ATOM 0 HB2 ASP A 38 1.407 -6.837 -8.920 1.00 1.57 H new ATOM 0 HB3 ASP A 38 2.690 -6.357 -10.013 1.00 1.57 H new ATOM 554 N ALA A 39 5.292 -5.643 -8.048 1.00 1.23 N ATOM 555 CA ALA A 39 6.154 -4.671 -7.377 1.00 1.17 C ATOM 556 C ALA A 39 5.978 -3.208 -7.825 1.00 1.04 C ATOM 557 O ALA A 39 6.093 -2.310 -6.988 1.00 1.23 O ATOM 558 CB ALA A 39 7.599 -5.148 -7.580 1.00 1.36 C ATOM 0 H ALA A 39 5.790 -6.210 -8.734 1.00 1.23 H new ATOM 0 HA ALA A 39 5.871 -4.641 -6.325 1.00 1.17 H new ATOM 0 HB1 ALA A 39 8.283 -4.452 -7.095 1.00 1.36 H new ATOM 0 HB2 ALA A 39 7.720 -6.139 -7.143 1.00 1.36 H new ATOM 0 HB3 ALA A 39 7.821 -5.192 -8.646 1.00 1.36 H new ATOM 564 N ASN A 40 5.690 -2.953 -9.105 1.00 0.91 N ATOM 565 CA ASN A 40 5.338 -1.622 -9.612 1.00 0.87 C ATOM 566 C ASN A 40 3.883 -1.264 -9.275 1.00 0.84 C ATOM 567 O ASN A 40 3.605 -0.166 -8.783 1.00 0.98 O ATOM 568 CB ASN A 40 5.580 -1.592 -11.130 1.00 1.09 C ATOM 569 CG ASN A 40 5.186 -0.266 -11.754 1.00 2.51 C ATOM 570 OD1 ASN A 40 5.721 0.780 -11.420 1.00 3.20 O ATOM 571 ND2 ASN A 40 4.261 -0.260 -12.681 1.00 3.87 N ATOM 0 H ASN A 40 5.695 -3.673 -9.827 1.00 0.91 H new ATOM 0 HA ASN A 40 5.967 -0.874 -9.129 1.00 0.87 H new ATOM 0 HB2 ASN A 40 6.634 -1.786 -11.331 1.00 1.09 H new ATOM 0 HB3 ASN A 40 5.013 -2.395 -11.601 1.00 1.09 H new ATOM 0 HD21 ASN A 40 3.988 0.618 -13.123 1.00 3.87 H new ATOM 0 HD22 ASN A 40 3.814 -1.133 -12.961 1.00 3.87 H new ATOM 578 N TRP A 41 2.966 -2.215 -9.485 1.00 0.80 N ATOM 579 CA TRP A 41 1.533 -2.041 -9.236 1.00 0.79 C ATOM 580 C TRP A 41 1.261 -1.599 -7.793 1.00 0.76 C ATOM 581 O TRP A 41 0.522 -0.643 -7.584 1.00 0.75 O ATOM 582 CB TRP A 41 0.791 -3.341 -9.568 1.00 0.85 C ATOM 583 CG TRP A 41 -0.686 -3.295 -9.322 1.00 0.90 C ATOM 584 CD1 TRP A 41 -1.619 -2.859 -10.198 1.00 1.05 C ATOM 585 CD2 TRP A 41 -1.423 -3.669 -8.114 1.00 0.88 C ATOM 586 NE1 TRP A 41 -2.875 -2.951 -9.633 1.00 1.08 N ATOM 587 CE2 TRP A 41 -2.812 -3.424 -8.339 1.00 0.96 C ATOM 588 CE3 TRP A 41 -1.056 -4.188 -6.850 1.00 0.88 C ATOM 589 CZ2 TRP A 41 -3.782 -3.671 -7.357 1.00 1.01 C ATOM 590 CZ3 TRP A 41 -2.025 -4.430 -5.854 1.00 0.99 C ATOM 591 CH2 TRP A 41 -3.384 -4.169 -6.106 1.00 1.04 C ATOM 0 H TRP A 41 3.204 -3.142 -9.838 1.00 0.80 H new ATOM 0 HA TRP A 41 1.162 -1.247 -9.885 1.00 0.79 H new ATOM 0 HB2 TRP A 41 0.964 -3.586 -10.616 1.00 0.85 H new ATOM 0 HB3 TRP A 41 1.220 -4.150 -8.977 1.00 0.85 H new ATOM 0 HD1 TRP A 41 -1.412 -2.493 -11.193 1.00 1.05 H new ATOM 0 HE1 TRP A 41 -3.740 -2.701 -10.112 1.00 1.08 H new ATOM 0 HE3 TRP A 41 -0.018 -4.402 -6.645 1.00 0.88 H new ATOM 0 HZ2 TRP A 41 -4.825 -3.480 -7.561 1.00 1.01 H new ATOM 0 HZ3 TRP A 41 -1.722 -4.818 -4.893 1.00 0.99 H new ATOM 0 HH2 TRP A 41 -4.121 -4.352 -5.338 1.00 1.04 H new ATOM 602 N LEU A 42 1.934 -2.202 -6.806 1.00 0.78 N ATOM 603 CA LEU A 42 1.845 -1.811 -5.391 1.00 0.77 C ATOM 604 C LEU A 42 2.200 -0.333 -5.127 1.00 0.69 C ATOM 605 O LEU A 42 1.561 0.307 -4.288 1.00 0.72 O ATOM 606 CB LEU A 42 2.794 -2.723 -4.587 1.00 0.85 C ATOM 607 CG LEU A 42 2.237 -4.129 -4.303 1.00 1.89 C ATOM 608 CD1 LEU A 42 3.360 -4.989 -3.731 1.00 2.51 C ATOM 609 CD2 LEU A 42 1.093 -4.102 -3.286 1.00 3.02 C ATOM 0 H LEU A 42 2.565 -2.987 -6.968 1.00 0.78 H new ATOM 0 HA LEU A 42 0.806 -1.927 -5.082 1.00 0.77 H new ATOM 0 HB2 LEU A 42 3.733 -2.821 -5.133 1.00 0.85 H new ATOM 0 HB3 LEU A 42 3.026 -2.239 -3.638 1.00 0.85 H new ATOM 0 HG LEU A 42 1.852 -4.532 -5.240 1.00 1.89 H new ATOM 0 HD11 LEU A 42 2.982 -5.990 -3.524 1.00 2.51 H new ATOM 0 HD12 LEU A 42 4.175 -5.051 -4.453 1.00 2.51 H new ATOM 0 HD13 LEU A 42 3.727 -4.541 -2.807 1.00 2.51 H new ATOM 0 HD21 LEU A 42 0.732 -5.117 -3.117 1.00 3.02 H new ATOM 0 HD22 LEU A 42 1.452 -3.684 -2.346 1.00 3.02 H new ATOM 0 HD23 LEU A 42 0.279 -3.487 -3.670 1.00 3.02 H new ATOM 621 N VAL A 43 3.203 0.208 -5.828 1.00 0.66 N ATOM 622 CA VAL A 43 3.733 1.571 -5.615 1.00 0.64 C ATOM 623 C VAL A 43 2.936 2.635 -6.395 1.00 0.70 C ATOM 624 O VAL A 43 2.841 3.785 -5.963 1.00 0.92 O ATOM 625 CB VAL A 43 5.248 1.621 -5.908 1.00 0.76 C ATOM 626 CG1 VAL A 43 5.859 2.992 -5.587 1.00 1.12 C ATOM 627 CG2 VAL A 43 6.009 0.591 -5.056 1.00 1.13 C ATOM 0 H VAL A 43 3.682 -0.294 -6.575 1.00 0.66 H new ATOM 0 HA VAL A 43 3.601 1.821 -4.562 1.00 0.64 H new ATOM 0 HB VAL A 43 5.347 1.407 -6.972 1.00 0.76 H new ATOM 0 HG11 VAL A 43 6.926 2.976 -5.810 1.00 1.12 H new ATOM 0 HG12 VAL A 43 5.373 3.758 -6.192 1.00 1.12 H new ATOM 0 HG13 VAL A 43 5.712 3.217 -4.531 1.00 1.12 H new ATOM 0 HG21 VAL A 43 7.074 0.647 -5.282 1.00 1.13 H new ATOM 0 HG22 VAL A 43 5.851 0.805 -3.999 1.00 1.13 H new ATOM 0 HG23 VAL A 43 5.643 -0.410 -5.282 1.00 1.13 H new ATOM 637 N ARG A 44 2.279 2.253 -7.497 1.00 0.68 N ATOM 638 CA ARG A 44 1.202 3.045 -8.127 1.00 0.79 C ATOM 639 C ARG A 44 -0.086 3.013 -7.295 1.00 0.82 C ATOM 640 O ARG A 44 -0.679 4.065 -7.051 1.00 0.97 O ATOM 641 CB ARG A 44 0.924 2.459 -9.524 1.00 0.81 C ATOM 642 CG ARG A 44 2.005 2.797 -10.568 1.00 1.74 C ATOM 643 CD ARG A 44 1.870 4.221 -11.124 1.00 2.76 C ATOM 644 NE ARG A 44 0.654 4.362 -11.942 1.00 3.04 N ATOM 645 CZ ARG A 44 0.220 5.498 -12.518 1.00 3.95 C ATOM 646 NH1 ARG A 44 0.889 6.655 -12.389 1.00 4.86 N ATOM 647 NH2 ARG A 44 -0.907 5.469 -13.241 1.00 4.67 N ATOM 0 H ARG A 44 2.477 1.379 -7.985 1.00 0.68 H new ATOM 0 HA ARG A 44 1.525 4.084 -8.195 1.00 0.79 H new ATOM 0 HB2 ARG A 44 0.838 1.376 -9.442 1.00 0.81 H new ATOM 0 HB3 ARG A 44 -0.038 2.830 -9.878 1.00 0.81 H new ATOM 0 HG2 ARG A 44 2.990 2.680 -10.115 1.00 1.74 H new ATOM 0 HG3 ARG A 44 1.945 2.084 -11.390 1.00 1.74 H new ATOM 0 HD2 ARG A 44 1.842 4.934 -10.300 1.00 2.76 H new ATOM 0 HD3 ARG A 44 2.746 4.464 -11.726 1.00 2.76 H new ATOM 0 HE ARG A 44 0.090 3.524 -12.085 1.00 3.04 H new ATOM 0 HH11 ARG A 44 1.750 6.688 -11.843 1.00 4.86 H new ATOM 0 HH12 ARG A 44 0.536 7.501 -12.837 1.00 4.86 H new ATOM 0 HH21 ARG A 44 -1.422 4.595 -13.348 1.00 4.67 H new ATOM 0 HH22 ARG A 44 -1.250 6.321 -13.685 1.00 4.67 H new ATOM 661 N TRP A 45 -0.486 1.838 -6.803 1.00 0.75 N ATOM 662 CA TRP A 45 -1.728 1.625 -6.052 1.00 0.75 C ATOM 663 C TRP A 45 -1.819 2.504 -4.810 1.00 0.81 C ATOM 664 O TRP A 45 -2.811 3.201 -4.643 1.00 0.87 O ATOM 665 CB TRP A 45 -1.875 0.152 -5.643 1.00 0.78 C ATOM 666 CG TRP A 45 -3.104 -0.135 -4.829 1.00 0.91 C ATOM 667 CD1 TRP A 45 -3.158 -0.312 -3.488 1.00 1.37 C ATOM 668 CD2 TRP A 45 -4.484 -0.205 -5.295 1.00 0.95 C ATOM 669 NE1 TRP A 45 -4.472 -0.540 -3.109 1.00 1.54 N ATOM 670 CE2 TRP A 45 -5.323 -0.513 -4.189 1.00 1.33 C ATOM 671 CE3 TRP A 45 -5.114 -0.015 -6.541 1.00 1.07 C ATOM 672 CZ2 TRP A 45 -6.708 -0.688 -4.322 1.00 1.64 C ATOM 673 CZ3 TRP A 45 -6.513 -0.141 -6.679 1.00 1.53 C ATOM 674 CH2 TRP A 45 -7.308 -0.495 -5.576 1.00 1.75 C ATOM 0 H TRP A 45 0.060 0.984 -6.919 1.00 0.75 H new ATOM 0 HA TRP A 45 -2.541 1.904 -6.722 1.00 0.75 H new ATOM 0 HB2 TRP A 45 -1.895 -0.464 -6.542 1.00 0.78 H new ATOM 0 HB3 TRP A 45 -0.996 -0.146 -5.072 1.00 0.78 H new ATOM 0 HD1 TRP A 45 -2.311 -0.281 -2.819 1.00 1.37 H new ATOM 0 HE1 TRP A 45 -4.771 -0.707 -2.148 1.00 1.54 H new ATOM 0 HE3 TRP A 45 -4.516 0.231 -7.406 1.00 1.07 H new ATOM 0 HZ2 TRP A 45 -7.307 -0.968 -3.468 1.00 1.64 H new ATOM 0 HZ3 TRP A 45 -6.975 0.036 -7.639 1.00 1.53 H new ATOM 0 HH2 TRP A 45 -8.375 -0.618 -5.692 1.00 1.75 H new ATOM 685 N LEU A 46 -0.788 2.537 -3.960 1.00 0.87 N ATOM 686 CA LEU A 46 -0.848 3.316 -2.715 1.00 1.03 C ATOM 687 C LEU A 46 -0.858 4.845 -2.935 1.00 1.08 C ATOM 688 O LEU A 46 -1.222 5.586 -2.021 1.00 1.25 O ATOM 689 CB LEU A 46 0.200 2.793 -1.710 1.00 1.23 C ATOM 690 CG LEU A 46 1.573 3.483 -1.638 1.00 1.13 C ATOM 691 CD1 LEU A 46 2.498 2.637 -0.761 1.00 1.88 C ATOM 692 CD2 LEU A 46 2.232 3.596 -3.005 1.00 2.21 C ATOM 0 H LEU A 46 0.090 2.040 -4.107 1.00 0.87 H new ATOM 0 HA LEU A 46 -1.822 3.151 -2.253 1.00 1.03 H new ATOM 0 HB2 LEU A 46 -0.245 2.841 -0.716 1.00 1.23 H new ATOM 0 HB3 LEU A 46 0.372 1.740 -1.932 1.00 1.23 H new ATOM 0 HG LEU A 46 1.416 4.484 -1.237 1.00 1.13 H new ATOM 0 HD11 LEU A 46 3.477 3.113 -0.700 1.00 1.88 H new ATOM 0 HD12 LEU A 46 2.073 2.551 0.239 1.00 1.88 H new ATOM 0 HD13 LEU A 46 2.604 1.644 -1.197 1.00 1.88 H new ATOM 0 HD21 LEU A 46 3.198 4.090 -2.903 1.00 2.21 H new ATOM 0 HD22 LEU A 46 2.376 2.600 -3.423 1.00 2.21 H new ATOM 0 HD23 LEU A 46 1.595 4.180 -3.669 1.00 2.21 H new ATOM 704 N LYS A 47 -0.501 5.303 -4.147 1.00 0.99 N ATOM 705 CA LYS A 47 -0.524 6.711 -4.570 1.00 1.05 C ATOM 706 C LYS A 47 -1.890 7.134 -5.119 1.00 0.99 C ATOM 707 O LYS A 47 -2.391 8.178 -4.714 1.00 1.24 O ATOM 708 CB LYS A 47 0.625 6.983 -5.573 1.00 1.10 C ATOM 709 CG LYS A 47 1.866 7.526 -4.843 1.00 1.50 C ATOM 710 CD LYS A 47 2.999 8.039 -5.749 1.00 1.71 C ATOM 711 CE LYS A 47 3.683 6.925 -6.550 1.00 2.28 C ATOM 712 NZ LYS A 47 4.805 7.443 -7.375 1.00 2.66 N ATOM 0 H LYS A 47 -0.177 4.678 -4.885 1.00 0.99 H new ATOM 0 HA LYS A 47 -0.359 7.331 -3.689 1.00 1.05 H new ATOM 0 HB2 LYS A 47 0.880 6.063 -6.100 1.00 1.10 H new ATOM 0 HB3 LYS A 47 0.296 7.700 -6.325 1.00 1.10 H new ATOM 0 HG2 LYS A 47 1.553 8.339 -4.187 1.00 1.50 H new ATOM 0 HG3 LYS A 47 2.264 6.737 -4.205 1.00 1.50 H new ATOM 0 HD2 LYS A 47 2.596 8.779 -6.440 1.00 1.71 H new ATOM 0 HD3 LYS A 47 3.744 8.547 -5.136 1.00 1.71 H new ATOM 0 HE2 LYS A 47 4.057 6.163 -5.866 1.00 2.28 H new ATOM 0 HE3 LYS A 47 2.951 6.441 -7.196 1.00 2.28 H new ATOM 0 HZ1 LYS A 47 5.153 6.689 -8.001 1.00 2.66 H new ATOM 0 HZ2 LYS A 47 4.473 8.244 -7.949 1.00 2.66 H new ATOM 0 HZ3 LYS A 47 5.576 7.759 -6.753 1.00 2.66 H new ATOM 726 N VAL A 48 -2.508 6.336 -6.000 1.00 0.78 N ATOM 727 CA VAL A 48 -3.749 6.720 -6.712 1.00 0.73 C ATOM 728 C VAL A 48 -4.805 5.582 -6.791 1.00 0.64 C ATOM 729 O VAL A 48 -5.313 5.252 -7.866 1.00 0.66 O ATOM 730 CB VAL A 48 -3.364 7.404 -8.046 1.00 0.81 C ATOM 731 CG1 VAL A 48 -2.790 6.469 -9.122 1.00 1.32 C ATOM 732 CG2 VAL A 48 -4.513 8.246 -8.604 1.00 1.76 C ATOM 0 H VAL A 48 -2.168 5.406 -6.244 1.00 0.78 H new ATOM 0 HA VAL A 48 -4.298 7.460 -6.130 1.00 0.73 H new ATOM 0 HB VAL A 48 -2.538 8.063 -7.778 1.00 0.81 H new ATOM 0 HG11 VAL A 48 -2.553 7.046 -10.016 1.00 1.32 H new ATOM 0 HG12 VAL A 48 -1.884 5.994 -8.746 1.00 1.32 H new ATOM 0 HG13 VAL A 48 -3.525 5.703 -9.369 1.00 1.32 H new ATOM 0 HG21 VAL A 48 -4.203 8.709 -9.541 1.00 1.76 H new ATOM 0 HG22 VAL A 48 -5.378 7.608 -8.784 1.00 1.76 H new ATOM 0 HG23 VAL A 48 -4.778 9.022 -7.886 1.00 1.76 H new ATOM 742 N PRO A 49 -5.190 4.968 -5.652 1.00 0.62 N ATOM 743 CA PRO A 49 -5.998 3.738 -5.634 1.00 0.60 C ATOM 744 C PRO A 49 -7.415 3.944 -6.193 1.00 0.68 C ATOM 745 O PRO A 49 -7.920 3.117 -6.952 1.00 1.00 O ATOM 746 CB PRO A 49 -6.043 3.301 -4.163 1.00 0.65 C ATOM 747 CG PRO A 49 -5.856 4.610 -3.398 1.00 0.79 C ATOM 748 CD PRO A 49 -4.934 5.433 -4.292 1.00 0.75 C ATOM 0 HA PRO A 49 -5.553 2.980 -6.278 1.00 0.60 H new ATOM 0 HB2 PRO A 49 -6.990 2.823 -3.915 1.00 0.65 H new ATOM 0 HB3 PRO A 49 -5.254 2.585 -3.932 1.00 0.65 H new ATOM 0 HG2 PRO A 49 -6.808 5.115 -3.234 1.00 0.79 H new ATOM 0 HG3 PRO A 49 -5.412 4.439 -2.417 1.00 0.79 H new ATOM 0 HD2 PRO A 49 -5.143 6.498 -4.196 1.00 0.75 H new ATOM 0 HD3 PRO A 49 -3.889 5.287 -4.018 1.00 0.75 H new ATOM 756 N ASP A 50 -8.042 5.079 -5.869 1.00 0.60 N ATOM 757 CA ASP A 50 -9.419 5.390 -6.262 1.00 0.69 C ATOM 758 C ASP A 50 -9.599 5.479 -7.788 1.00 0.74 C ATOM 759 O ASP A 50 -10.628 5.040 -8.306 1.00 0.85 O ATOM 760 CB ASP A 50 -9.834 6.696 -5.569 1.00 0.88 C ATOM 761 CG ASP A 50 -11.304 7.040 -5.814 1.00 1.32 C ATOM 762 OD1 ASP A 50 -12.182 6.450 -5.136 1.00 2.49 O ATOM 763 OD2 ASP A 50 -11.593 7.898 -6.681 1.00 2.26 O ATOM 0 H ASP A 50 -7.601 5.817 -5.319 1.00 0.60 H new ATOM 0 HA ASP A 50 -10.067 4.574 -5.943 1.00 0.69 H new ATOM 0 HB2 ASP A 50 -9.657 6.608 -4.497 1.00 0.88 H new ATOM 0 HB3 ASP A 50 -9.207 7.511 -5.930 1.00 0.88 H new ATOM 768 N GLN A 51 -8.589 5.983 -8.513 1.00 0.78 N ATOM 769 CA GLN A 51 -8.612 6.064 -9.974 1.00 0.91 C ATOM 770 C GLN A 51 -8.323 4.699 -10.625 1.00 0.84 C ATOM 771 O GLN A 51 -8.965 4.366 -11.620 1.00 0.96 O ATOM 772 CB GLN A 51 -7.631 7.150 -10.453 1.00 1.12 C ATOM 773 CG GLN A 51 -7.917 7.574 -11.899 1.00 1.58 C ATOM 774 CD GLN A 51 -7.021 8.713 -12.382 1.00 1.84 C ATOM 775 OE1 GLN A 51 -7.017 9.822 -11.853 1.00 2.21 O ATOM 776 NE2 GLN A 51 -6.246 8.500 -13.418 1.00 2.66 N ATOM 0 H GLN A 51 -7.732 6.346 -8.097 1.00 0.78 H new ATOM 0 HA GLN A 51 -9.616 6.347 -10.290 1.00 0.91 H new ATOM 0 HB2 GLN A 51 -7.701 8.019 -9.798 1.00 1.12 H new ATOM 0 HB3 GLN A 51 -6.610 6.777 -10.378 1.00 1.12 H new ATOM 0 HG2 GLN A 51 -7.785 6.714 -12.555 1.00 1.58 H new ATOM 0 HG3 GLN A 51 -8.960 7.881 -11.981 1.00 1.58 H new ATOM 0 HE21 GLN A 51 -6.237 7.585 -13.869 1.00 2.66 H new ATOM 0 HE22 GLN A 51 -5.652 9.249 -13.773 1.00 2.66 H new ATOM 785 N MET A 52 -7.431 3.886 -10.043 1.00 0.72 N ATOM 786 CA MET A 52 -7.143 2.518 -10.508 1.00 0.66 C ATOM 787 C MET A 52 -8.358 1.585 -10.337 1.00 0.55 C ATOM 788 O MET A 52 -8.660 0.783 -11.223 1.00 0.63 O ATOM 789 CB MET A 52 -5.917 1.978 -9.747 1.00 0.70 C ATOM 790 CG MET A 52 -5.501 0.567 -10.194 1.00 1.49 C ATOM 791 SD MET A 52 -4.575 0.471 -11.744 1.00 2.18 S ATOM 792 CE MET A 52 -2.888 0.658 -11.099 1.00 1.50 C ATOM 0 H MET A 52 -6.882 4.160 -9.228 1.00 0.72 H new ATOM 0 HA MET A 52 -6.925 2.550 -11.576 1.00 0.66 H new ATOM 0 HB2 MET A 52 -5.079 2.660 -9.891 1.00 0.70 H new ATOM 0 HB3 MET A 52 -6.137 1.964 -8.680 1.00 0.70 H new ATOM 0 HG2 MET A 52 -4.897 0.120 -9.404 1.00 1.49 H new ATOM 0 HG3 MET A 52 -6.400 -0.042 -10.292 1.00 1.49 H new ATOM 0 HE1 MET A 52 -2.177 0.622 -11.924 1.00 1.50 H new ATOM 0 HE2 MET A 52 -2.799 1.615 -10.585 1.00 1.50 H new ATOM 0 HE3 MET A 52 -2.674 -0.151 -10.400 1.00 1.50 H new ATOM 802 N LEU A 53 -9.104 1.697 -9.231 1.00 0.52 N ATOM 803 CA LEU A 53 -10.336 0.927 -9.052 1.00 0.66 C ATOM 804 C LEU A 53 -11.459 1.433 -9.979 1.00 0.83 C ATOM 805 O LEU A 53 -12.178 0.625 -10.567 1.00 0.93 O ATOM 806 CB LEU A 53 -10.712 0.917 -7.559 1.00 0.78 C ATOM 807 CG LEU A 53 -11.806 -0.107 -7.190 1.00 1.16 C ATOM 808 CD1 LEU A 53 -11.406 -1.563 -7.468 1.00 2.14 C ATOM 809 CD2 LEU A 53 -12.140 0.013 -5.701 1.00 2.06 C ATOM 0 H LEU A 53 -8.875 2.312 -8.450 1.00 0.52 H new ATOM 0 HA LEU A 53 -10.176 -0.108 -9.353 1.00 0.66 H new ATOM 0 HB2 LEU A 53 -9.818 0.705 -6.972 1.00 0.78 H new ATOM 0 HB3 LEU A 53 -11.051 1.913 -7.274 1.00 0.78 H new ATOM 0 HG LEU A 53 -12.663 0.129 -7.821 1.00 1.16 H new ATOM 0 HD11 LEU A 53 -12.224 -2.226 -7.184 1.00 2.14 H new ATOM 0 HD12 LEU A 53 -11.192 -1.685 -8.530 1.00 2.14 H new ATOM 0 HD13 LEU A 53 -10.518 -1.813 -6.888 1.00 2.14 H new ATOM 0 HD21 LEU A 53 -12.913 -0.711 -5.442 1.00 2.06 H new ATOM 0 HD22 LEU A 53 -11.245 -0.184 -5.110 1.00 2.06 H new ATOM 0 HD23 LEU A 53 -12.500 1.020 -5.489 1.00 2.06 H new ATOM 821 N ALA A 54 -11.578 2.752 -10.189 1.00 0.95 N ATOM 822 CA ALA A 54 -12.540 3.336 -11.138 1.00 1.23 C ATOM 823 C ALA A 54 -12.208 3.041 -12.621 1.00 1.30 C ATOM 824 O ALA A 54 -13.112 3.001 -13.462 1.00 1.49 O ATOM 825 CB ALA A 54 -12.632 4.842 -10.874 1.00 1.37 C ATOM 0 H ALA A 54 -11.009 3.446 -9.705 1.00 0.95 H new ATOM 0 HA ALA A 54 -13.507 2.862 -10.969 1.00 1.23 H new ATOM 0 HB1 ALA A 54 -13.341 5.291 -11.569 1.00 1.37 H new ATOM 0 HB2 ALA A 54 -12.969 5.012 -9.852 1.00 1.37 H new ATOM 0 HB3 ALA A 54 -11.651 5.296 -11.013 1.00 1.37 H new ATOM 831 N GLU A 55 -10.937 2.762 -12.931 1.00 1.23 N ATOM 832 CA GLU A 55 -10.436 2.286 -14.231 1.00 1.31 C ATOM 833 C GLU A 55 -10.888 0.849 -14.549 1.00 1.40 C ATOM 834 O GLU A 55 -10.775 0.402 -15.697 1.00 1.53 O ATOM 835 CB GLU A 55 -8.897 2.423 -14.230 1.00 1.38 C ATOM 836 CG GLU A 55 -8.177 1.902 -15.483 1.00 1.82 C ATOM 837 CD GLU A 55 -6.819 2.587 -15.675 1.00 1.87 C ATOM 838 OE1 GLU A 55 -6.809 3.761 -16.122 1.00 2.75 O ATOM 839 OE2 GLU A 55 -5.757 1.992 -15.360 1.00 2.39 O ATOM 0 H GLU A 55 -10.188 2.867 -12.247 1.00 1.23 H new ATOM 0 HA GLU A 55 -10.861 2.898 -15.026 1.00 1.31 H new ATOM 0 HB2 GLU A 55 -8.645 3.476 -14.101 1.00 1.38 H new ATOM 0 HB3 GLU A 55 -8.505 1.893 -13.362 1.00 1.38 H new ATOM 0 HG2 GLU A 55 -8.034 0.825 -15.400 1.00 1.82 H new ATOM 0 HG3 GLU A 55 -8.800 2.074 -16.360 1.00 1.82 H new ATOM 846 N LYS A 56 -11.436 0.126 -13.560 1.00 1.49 N ATOM 847 CA LYS A 56 -11.782 -1.303 -13.651 1.00 1.57 C ATOM 848 C LYS A 56 -10.557 -2.133 -14.056 1.00 1.55 C ATOM 849 O LYS A 56 -10.620 -2.983 -14.945 1.00 1.99 O ATOM 850 CB LYS A 56 -13.036 -1.516 -14.531 1.00 1.94 C ATOM 851 CG LYS A 56 -14.250 -0.712 -14.029 1.00 2.68 C ATOM 852 CD LYS A 56 -15.497 -0.853 -14.915 1.00 3.31 C ATOM 853 CE LYS A 56 -15.307 -0.214 -16.297 1.00 4.06 C ATOM 854 NZ LYS A 56 -16.552 -0.254 -17.095 1.00 4.86 N ATOM 0 H LYS A 56 -11.657 0.529 -12.650 1.00 1.49 H new ATOM 0 HA LYS A 56 -12.066 -1.675 -12.667 1.00 1.57 H new ATOM 0 HB2 LYS A 56 -12.810 -1.225 -15.557 1.00 1.94 H new ATOM 0 HB3 LYS A 56 -13.288 -2.576 -14.549 1.00 1.94 H new ATOM 0 HG2 LYS A 56 -14.496 -1.036 -13.018 1.00 2.68 H new ATOM 0 HG3 LYS A 56 -13.976 0.341 -13.968 1.00 2.68 H new ATOM 0 HD2 LYS A 56 -15.736 -1.910 -15.036 1.00 3.31 H new ATOM 0 HD3 LYS A 56 -16.348 -0.389 -14.417 1.00 3.31 H new ATOM 0 HE2 LYS A 56 -14.984 0.820 -16.178 1.00 4.06 H new ATOM 0 HE3 LYS A 56 -14.514 -0.736 -16.833 1.00 4.06 H new ATOM 0 HZ1 LYS A 56 -16.384 0.187 -18.022 1.00 4.86 H new ATOM 0 HZ2 LYS A 56 -16.846 -1.242 -17.230 1.00 4.86 H new ATOM 0 HZ3 LYS A 56 -17.302 0.265 -16.595 1.00 4.86 H new ATOM 868 N ASP A 57 -9.420 -1.839 -13.426 1.00 1.32 N ATOM 869 CA ASP A 57 -8.171 -2.580 -13.548 1.00 1.35 C ATOM 870 C ASP A 57 -8.375 -3.891 -12.794 1.00 1.25 C ATOM 871 O ASP A 57 -8.684 -3.898 -11.597 1.00 1.23 O ATOM 872 CB ASP A 57 -6.979 -1.791 -12.997 1.00 1.38 C ATOM 873 CG ASP A 57 -5.667 -2.520 -13.314 1.00 1.63 C ATOM 874 OD1 ASP A 57 -5.462 -3.651 -12.817 1.00 2.24 O ATOM 875 OD2 ASP A 57 -4.875 -1.993 -14.128 1.00 2.36 O ATOM 0 H ASP A 57 -9.344 -1.044 -12.791 1.00 1.32 H new ATOM 0 HA ASP A 57 -7.933 -2.764 -14.596 1.00 1.35 H new ATOM 0 HB2 ASP A 57 -6.963 -0.792 -13.433 1.00 1.38 H new ATOM 0 HB3 ASP A 57 -7.083 -1.667 -11.919 1.00 1.38 H new ATOM 880 N PRO A 58 -8.316 -5.011 -13.512 1.00 1.24 N ATOM 881 CA PRO A 58 -8.938 -6.234 -13.041 1.00 1.27 C ATOM 882 C PRO A 58 -8.170 -6.923 -11.914 1.00 1.30 C ATOM 883 O PRO A 58 -8.775 -7.644 -11.122 1.00 2.00 O ATOM 884 CB PRO A 58 -9.065 -7.040 -14.312 1.00 1.39 C ATOM 885 CG PRO A 58 -7.864 -6.616 -15.158 1.00 1.38 C ATOM 886 CD PRO A 58 -7.886 -5.130 -14.902 1.00 1.32 C ATOM 0 HA PRO A 58 -9.900 -6.073 -12.554 1.00 1.27 H new ATOM 0 HB2 PRO A 58 -9.047 -8.110 -14.106 1.00 1.39 H new ATOM 0 HB3 PRO A 58 -10.004 -6.829 -14.823 1.00 1.39 H new ATOM 0 HG2 PRO A 58 -6.935 -7.083 -14.830 1.00 1.38 H new ATOM 0 HG3 PRO A 58 -7.988 -6.861 -16.213 1.00 1.38 H new ATOM 0 HD2 PRO A 58 -6.902 -4.685 -15.054 1.00 1.32 H new ATOM 0 HD3 PRO A 58 -8.574 -4.620 -15.576 1.00 1.32 H new ATOM 894 N LEU A 59 -6.875 -6.624 -11.778 1.00 0.94 N ATOM 895 CA LEU A 59 -6.080 -6.975 -10.596 1.00 0.93 C ATOM 896 C LEU A 59 -6.602 -6.273 -9.333 1.00 0.83 C ATOM 897 O LEU A 59 -6.735 -6.911 -8.294 1.00 0.83 O ATOM 898 CB LEU A 59 -4.596 -6.650 -10.859 1.00 1.14 C ATOM 899 CG LEU A 59 -3.649 -6.901 -9.664 1.00 1.33 C ATOM 900 CD1 LEU A 59 -3.717 -8.329 -9.113 1.00 1.46 C ATOM 901 CD2 LEU A 59 -2.207 -6.641 -10.098 1.00 2.21 C ATOM 0 H LEU A 59 -6.343 -6.127 -12.492 1.00 0.94 H new ATOM 0 HA LEU A 59 -6.175 -8.045 -10.414 1.00 0.93 H new ATOM 0 HB2 LEU A 59 -4.254 -7.246 -11.705 1.00 1.14 H new ATOM 0 HB3 LEU A 59 -4.516 -5.603 -11.153 1.00 1.14 H new ATOM 0 HG LEU A 59 -3.973 -6.223 -8.875 1.00 1.33 H new ATOM 0 HD11 LEU A 59 -3.025 -8.430 -8.277 1.00 1.46 H new ATOM 0 HD12 LEU A 59 -4.731 -8.540 -8.773 1.00 1.46 H new ATOM 0 HD13 LEU A 59 -3.443 -9.035 -9.897 1.00 1.46 H new ATOM 0 HD21 LEU A 59 -1.536 -6.817 -9.257 1.00 2.21 H new ATOM 0 HD22 LEU A 59 -1.947 -7.312 -10.916 1.00 2.21 H new ATOM 0 HD23 LEU A 59 -2.108 -5.608 -10.431 1.00 2.21 H new ATOM 913 N ALA A 60 -6.967 -4.992 -9.401 1.00 0.86 N ATOM 914 CA ALA A 60 -7.560 -4.303 -8.253 1.00 0.82 C ATOM 915 C ALA A 60 -8.982 -4.785 -7.949 1.00 0.78 C ATOM 916 O ALA A 60 -9.305 -5.091 -6.803 1.00 0.81 O ATOM 917 CB ALA A 60 -7.553 -2.805 -8.508 1.00 0.95 C ATOM 0 H ALA A 60 -6.863 -4.413 -10.234 1.00 0.86 H new ATOM 0 HA ALA A 60 -6.956 -4.537 -7.376 1.00 0.82 H new ATOM 0 HB1 ALA A 60 -7.994 -2.289 -7.655 1.00 0.95 H new ATOM 0 HB2 ALA A 60 -6.527 -2.464 -8.648 1.00 0.95 H new ATOM 0 HB3 ALA A 60 -8.133 -2.586 -9.404 1.00 0.95 H new ATOM 923 N MET A 61 -9.823 -4.906 -8.983 1.00 0.81 N ATOM 924 CA MET A 61 -11.199 -5.394 -8.871 1.00 0.84 C ATOM 925 C MET A 61 -11.271 -6.831 -8.329 1.00 0.91 C ATOM 926 O MET A 61 -12.270 -7.206 -7.713 1.00 1.05 O ATOM 927 CB MET A 61 -11.842 -5.335 -10.260 1.00 0.95 C ATOM 928 CG MET A 61 -11.878 -3.931 -10.883 1.00 0.97 C ATOM 929 SD MET A 61 -13.274 -2.899 -10.378 1.00 1.82 S ATOM 930 CE MET A 61 -14.566 -3.772 -11.294 1.00 2.03 C ATOM 0 H MET A 61 -9.559 -4.662 -9.938 1.00 0.81 H new ATOM 0 HA MET A 61 -11.731 -4.761 -8.161 1.00 0.84 H new ATOM 0 HB2 MET A 61 -11.297 -6.002 -10.928 1.00 0.95 H new ATOM 0 HB3 MET A 61 -12.861 -5.715 -10.192 1.00 0.95 H new ATOM 0 HG2 MET A 61 -10.953 -3.414 -10.627 1.00 0.97 H new ATOM 0 HG3 MET A 61 -11.896 -4.033 -11.968 1.00 0.97 H new ATOM 0 HE1 MET A 61 -15.308 -3.056 -11.647 1.00 2.03 H new ATOM 0 HE2 MET A 61 -14.123 -4.286 -12.147 1.00 2.03 H new ATOM 0 HE3 MET A 61 -15.046 -4.500 -10.641 1.00 2.03 H new ATOM 940 N LEU A 62 -10.220 -7.633 -8.531 1.00 0.95 N ATOM 941 CA LEU A 62 -9.982 -8.902 -7.858 1.00 1.09 C ATOM 942 C LEU A 62 -9.514 -8.707 -6.414 1.00 1.11 C ATOM 943 O LEU A 62 -10.117 -9.278 -5.508 1.00 1.21 O ATOM 944 CB LEU A 62 -8.910 -9.641 -8.664 1.00 1.23 C ATOM 945 CG LEU A 62 -8.494 -11.008 -8.101 1.00 1.59 C ATOM 946 CD1 LEU A 62 -9.654 -12.006 -8.060 1.00 2.06 C ATOM 947 CD2 LEU A 62 -7.383 -11.589 -8.970 1.00 2.72 C ATOM 0 H LEU A 62 -9.484 -7.400 -9.198 1.00 0.95 H new ATOM 0 HA LEU A 62 -10.910 -9.471 -7.808 1.00 1.09 H new ATOM 0 HB2 LEU A 62 -9.275 -9.781 -9.681 1.00 1.23 H new ATOM 0 HB3 LEU A 62 -8.025 -9.008 -8.728 1.00 1.23 H new ATOM 0 HG LEU A 62 -8.156 -10.847 -7.077 1.00 1.59 H new ATOM 0 HD11 LEU A 62 -9.304 -12.955 -7.654 1.00 2.06 H new ATOM 0 HD12 LEU A 62 -10.450 -11.613 -7.428 1.00 2.06 H new ATOM 0 HD13 LEU A 62 -10.035 -12.162 -9.069 1.00 2.06 H new ATOM 0 HD21 LEU A 62 -7.083 -12.560 -8.576 1.00 2.72 H new ATOM 0 HD22 LEU A 62 -7.745 -11.708 -9.991 1.00 2.72 H new ATOM 0 HD23 LEU A 62 -6.527 -10.915 -8.965 1.00 2.72 H new ATOM 959 N LEU A 63 -8.436 -7.941 -6.194 1.00 1.11 N ATOM 960 CA LEU A 63 -7.691 -7.969 -4.939 1.00 1.28 C ATOM 961 C LEU A 63 -8.506 -7.341 -3.811 1.00 1.27 C ATOM 962 O LEU A 63 -8.512 -7.842 -2.688 1.00 1.47 O ATOM 963 CB LEU A 63 -6.334 -7.283 -5.207 1.00 1.42 C ATOM 964 CG LEU A 63 -5.300 -7.226 -4.068 1.00 1.42 C ATOM 965 CD1 LEU A 63 -5.607 -6.144 -3.033 1.00 1.72 C ATOM 966 CD2 LEU A 63 -5.135 -8.581 -3.384 1.00 2.87 C ATOM 0 H LEU A 63 -8.061 -7.288 -6.882 1.00 1.11 H new ATOM 0 HA LEU A 63 -7.499 -8.986 -4.597 1.00 1.28 H new ATOM 0 HB2 LEU A 63 -5.868 -7.790 -6.052 1.00 1.42 H new ATOM 0 HB3 LEU A 63 -6.537 -6.259 -5.522 1.00 1.42 H new ATOM 0 HG LEU A 63 -4.356 -6.959 -4.544 1.00 1.42 H new ATOM 0 HD11 LEU A 63 -4.842 -6.155 -2.257 1.00 1.72 H new ATOM 0 HD12 LEU A 63 -5.617 -5.168 -3.519 1.00 1.72 H new ATOM 0 HD13 LEU A 63 -6.582 -6.336 -2.584 1.00 1.72 H new ATOM 0 HD21 LEU A 63 -4.397 -8.498 -2.586 1.00 2.87 H new ATOM 0 HD22 LEU A 63 -6.090 -8.895 -2.963 1.00 2.87 H new ATOM 0 HD23 LEU A 63 -4.800 -9.318 -4.113 1.00 2.87 H new ATOM 978 N PHE A 64 -9.257 -6.286 -4.122 1.00 1.08 N ATOM 979 CA PHE A 64 -9.973 -5.534 -3.085 1.00 1.12 C ATOM 980 C PHE A 64 -11.137 -6.343 -2.480 1.00 1.23 C ATOM 981 O PHE A 64 -11.303 -6.370 -1.259 1.00 1.50 O ATOM 982 CB PHE A 64 -10.349 -4.129 -3.592 1.00 0.99 C ATOM 983 CG PHE A 64 -11.803 -3.920 -3.962 1.00 1.00 C ATOM 984 CD1 PHE A 64 -12.338 -4.482 -5.138 1.00 2.25 C ATOM 985 CD2 PHE A 64 -12.626 -3.154 -3.120 1.00 1.64 C ATOM 986 CE1 PHE A 64 -13.693 -4.283 -5.462 1.00 2.24 C ATOM 987 CE2 PHE A 64 -13.973 -2.943 -3.449 1.00 1.78 C ATOM 988 CZ PHE A 64 -14.512 -3.510 -4.617 1.00 1.21 C ATOM 0 H PHE A 64 -9.387 -5.933 -5.070 1.00 1.08 H new ATOM 0 HA PHE A 64 -9.302 -5.370 -2.242 1.00 1.12 H new ATOM 0 HB2 PHE A 64 -10.083 -3.404 -2.822 1.00 0.99 H new ATOM 0 HB3 PHE A 64 -9.737 -3.905 -4.466 1.00 0.99 H new ATOM 0 HD1 PHE A 64 -11.707 -5.066 -5.792 1.00 2.25 H new ATOM 0 HD2 PHE A 64 -12.220 -2.726 -2.216 1.00 1.64 H new ATOM 0 HE1 PHE A 64 -14.104 -4.723 -6.358 1.00 2.24 H new ATOM 0 HE2 PHE A 64 -14.598 -2.343 -2.803 1.00 1.78 H new ATOM 0 HZ PHE A 64 -15.551 -3.353 -4.865 1.00 1.21 H new ATOM 998 N GLU A 65 -11.875 -7.118 -3.290 1.00 1.15 N ATOM 999 CA GLU A 65 -12.936 -7.992 -2.760 1.00 1.32 C ATOM 1000 C GLU A 65 -12.409 -9.153 -1.887 1.00 1.48 C ATOM 1001 O GLU A 65 -13.186 -9.740 -1.131 1.00 1.75 O ATOM 1002 CB GLU A 65 -13.949 -8.426 -3.840 1.00 1.28 C ATOM 1003 CG GLU A 65 -13.458 -9.471 -4.850 1.00 2.24 C ATOM 1004 CD GLU A 65 -14.608 -10.016 -5.712 1.00 2.59 C ATOM 1005 OE1 GLU A 65 -15.048 -9.320 -6.663 1.00 2.62 O ATOM 1006 OE2 GLU A 65 -15.076 -11.155 -5.468 1.00 3.68 O ATOM 0 H GLU A 65 -11.760 -7.159 -4.303 1.00 1.15 H new ATOM 0 HA GLU A 65 -13.505 -7.375 -2.065 1.00 1.32 H new ATOM 0 HB2 GLU A 65 -14.833 -8.822 -3.341 1.00 1.28 H new ATOM 0 HB3 GLU A 65 -14.264 -7.539 -4.390 1.00 1.28 H new ATOM 0 HG2 GLU A 65 -12.700 -9.026 -5.495 1.00 2.24 H new ATOM 0 HG3 GLU A 65 -12.981 -10.294 -4.318 1.00 2.24 H new ATOM 1013 N GLN A 66 -11.097 -9.442 -1.889 1.00 1.42 N ATOM 1014 CA GLN A 66 -10.511 -10.483 -1.030 1.00 1.61 C ATOM 1015 C GLN A 66 -10.431 -10.109 0.461 1.00 1.44 C ATOM 1016 O GLN A 66 -10.201 -10.988 1.293 1.00 1.83 O ATOM 1017 CB GLN A 66 -9.108 -10.921 -1.511 1.00 1.88 C ATOM 1018 CG GLN A 66 -8.952 -11.267 -2.997 1.00 2.69 C ATOM 1019 CD GLN A 66 -9.990 -12.249 -3.521 1.00 2.74 C ATOM 1020 OE1 GLN A 66 -10.083 -13.394 -3.097 1.00 3.00 O ATOM 1021 NE2 GLN A 66 -10.795 -11.846 -4.472 1.00 3.73 N ATOM 0 H GLN A 66 -10.418 -8.964 -2.481 1.00 1.42 H new ATOM 0 HA GLN A 66 -11.210 -11.314 -1.122 1.00 1.61 H new ATOM 0 HB2 GLN A 66 -8.405 -10.122 -1.275 1.00 1.88 H new ATOM 0 HB3 GLN A 66 -8.808 -11.792 -0.928 1.00 1.88 H new ATOM 0 HG2 GLN A 66 -9.010 -10.348 -3.581 1.00 2.69 H new ATOM 0 HG3 GLN A 66 -7.958 -11.685 -3.159 1.00 2.69 H new ATOM 0 HE21 GLN A 66 -10.724 -10.894 -4.831 1.00 3.73 H new ATOM 0 HE22 GLN A 66 -11.493 -12.484 -4.854 1.00 3.73 H new ATOM 1030 N TYR A 67 -10.653 -8.838 0.814 1.00 1.09 N ATOM 1031 CA TYR A 67 -10.586 -8.326 2.190 1.00 1.18 C ATOM 1032 C TYR A 67 -11.937 -7.757 2.653 1.00 1.39 C ATOM 1033 O TYR A 67 -12.006 -6.686 3.259 1.00 1.69 O ATOM 1034 CB TYR A 67 -9.411 -7.342 2.301 1.00 1.07 C ATOM 1035 CG TYR A 67 -8.076 -7.978 1.965 1.00 0.96 C ATOM 1036 CD1 TYR A 67 -7.414 -8.765 2.929 1.00 2.13 C ATOM 1037 CD2 TYR A 67 -7.520 -7.824 0.680 1.00 1.72 C ATOM 1038 CE1 TYR A 67 -6.193 -9.391 2.614 1.00 2.12 C ATOM 1039 CE2 TYR A 67 -6.300 -8.450 0.362 1.00 1.91 C ATOM 1040 CZ TYR A 67 -5.636 -9.234 1.328 1.00 1.25 C ATOM 1041 OH TYR A 67 -4.455 -9.831 1.022 1.00 1.54 O ATOM 0 H TYR A 67 -10.891 -8.117 0.133 1.00 1.09 H new ATOM 0 HA TYR A 67 -10.389 -9.143 2.884 1.00 1.18 H new ATOM 0 HB2 TYR A 67 -9.585 -6.499 1.632 1.00 1.07 H new ATOM 0 HB3 TYR A 67 -9.373 -6.942 3.314 1.00 1.07 H new ATOM 0 HD1 TYR A 67 -7.845 -8.888 3.912 1.00 2.13 H new ATOM 0 HD2 TYR A 67 -8.030 -7.226 -0.061 1.00 1.72 H new ATOM 0 HE1 TYR A 67 -5.684 -9.990 3.355 1.00 2.12 H new ATOM 0 HE2 TYR A 67 -5.872 -8.330 -0.622 1.00 1.91 H new ATOM 0 HH TYR A 67 -4.213 -9.622 0.095 1.00 1.54 H new ATOM 1051 N ASN A 68 -13.026 -8.463 2.319 1.00 1.53 N ATOM 1052 CA ASN A 68 -14.415 -8.000 2.438 1.00 1.70 C ATOM 1053 C ASN A 68 -14.623 -6.608 1.797 1.00 1.48 C ATOM 1054 O ASN A 68 -15.281 -5.742 2.381 1.00 1.47 O ATOM 1055 CB ASN A 68 -14.917 -8.102 3.895 1.00 2.14 C ATOM 1056 CG ASN A 68 -15.030 -9.506 4.470 1.00 3.66 C ATOM 1057 OD1 ASN A 68 -14.776 -10.522 3.835 1.00 4.81 O ATOM 1058 ND2 ASN A 68 -15.429 -9.592 5.715 1.00 4.11 N ATOM 0 H ASN A 68 -12.961 -9.409 1.944 1.00 1.53 H new ATOM 0 HA ASN A 68 -15.045 -8.673 1.857 1.00 1.70 H new ATOM 0 HB2 ASN A 68 -14.245 -7.525 4.530 1.00 2.14 H new ATOM 0 HB3 ASN A 68 -15.897 -7.628 3.954 1.00 2.14 H new ATOM 0 HD21 ASN A 68 -15.528 -10.506 6.157 1.00 4.11 H new ATOM 0 HD22 ASN A 68 -15.640 -8.745 6.243 1.00 4.11 H new ATOM 1065 N ARG A 69 -14.055 -6.402 0.597 1.00 1.45 N ATOM 1066 CA ARG A 69 -14.201 -5.172 -0.217 1.00 1.45 C ATOM 1067 C ARG A 69 -13.645 -3.919 0.490 1.00 1.72 C ATOM 1068 O ARG A 69 -12.429 -3.817 0.653 1.00 3.71 O ATOM 1069 CB ARG A 69 -15.650 -5.018 -0.731 1.00 1.42 C ATOM 1070 CG ARG A 69 -16.159 -6.228 -1.536 1.00 2.09 C ATOM 1071 CD ARG A 69 -17.649 -6.118 -1.899 1.00 1.99 C ATOM 1072 NE ARG A 69 -18.524 -5.918 -0.728 1.00 3.07 N ATOM 1073 CZ ARG A 69 -18.784 -6.810 0.247 1.00 4.85 C ATOM 1074 NH1 ARG A 69 -18.281 -8.054 0.229 1.00 5.85 N ATOM 1075 NH2 ARG A 69 -19.566 -6.441 1.270 1.00 6.19 N ATOM 0 H ARG A 69 -13.464 -7.103 0.149 1.00 1.45 H new ATOM 0 HA ARG A 69 -13.573 -5.280 -1.102 1.00 1.45 H new ATOM 0 HB2 ARG A 69 -16.312 -4.856 0.120 1.00 1.42 H new ATOM 0 HB3 ARG A 69 -15.711 -4.127 -1.356 1.00 1.42 H new ATOM 0 HG2 ARG A 69 -15.573 -6.323 -2.450 1.00 2.09 H new ATOM 0 HG3 ARG A 69 -15.997 -7.138 -0.958 1.00 2.09 H new ATOM 0 HD2 ARG A 69 -17.786 -5.288 -2.592 1.00 1.99 H new ATOM 0 HD3 ARG A 69 -17.956 -7.024 -2.422 1.00 1.99 H new ATOM 0 HE ARG A 69 -18.980 -5.009 -0.649 1.00 3.07 H new ATOM 0 HH11 ARG A 69 -17.680 -8.350 -0.540 1.00 5.85 H new ATOM 0 HH12 ARG A 69 -18.499 -8.703 0.985 1.00 5.85 H new ATOM 0 HH21 ARG A 69 -19.954 -5.498 1.301 1.00 6.19 H new ATOM 0 HH22 ARG A 69 -19.774 -7.103 2.018 1.00 6.19 H new ATOM 1089 N LEU A 70 -14.504 -2.989 0.922 1.00 1.00 N ATOM 1090 CA LEU A 70 -14.148 -1.647 1.425 1.00 0.94 C ATOM 1091 C LEU A 70 -13.447 -0.793 0.333 1.00 1.19 C ATOM 1092 O LEU A 70 -13.761 -0.952 -0.850 1.00 2.95 O ATOM 1093 CB LEU A 70 -13.402 -1.801 2.776 1.00 0.99 C ATOM 1094 CG LEU A 70 -13.505 -0.628 3.770 1.00 1.15 C ATOM 1095 CD1 LEU A 70 -14.934 -0.384 4.260 1.00 2.63 C ATOM 1096 CD2 LEU A 70 -12.641 -0.929 4.997 1.00 1.94 C ATOM 0 H LEU A 70 -15.511 -3.153 0.933 1.00 1.00 H new ATOM 0 HA LEU A 70 -15.037 -1.057 1.647 1.00 0.94 H new ATOM 0 HB2 LEU A 70 -13.777 -2.697 3.270 1.00 0.99 H new ATOM 0 HB3 LEU A 70 -12.347 -1.973 2.563 1.00 0.99 H new ATOM 0 HG LEU A 70 -13.168 0.262 3.239 1.00 1.15 H new ATOM 0 HD11 LEU A 70 -14.942 0.454 4.957 1.00 2.63 H new ATOM 0 HD12 LEU A 70 -15.576 -0.155 3.410 1.00 2.63 H new ATOM 0 HD13 LEU A 70 -15.304 -1.278 4.763 1.00 2.63 H new ATOM 0 HD21 LEU A 70 -12.711 -0.102 5.703 1.00 1.94 H new ATOM 0 HD22 LEU A 70 -12.993 -1.844 5.474 1.00 1.94 H new ATOM 0 HD23 LEU A 70 -11.603 -1.056 4.689 1.00 1.94 H new ATOM 1108 N ALA A 71 -12.580 0.160 0.693 1.00 1.02 N ATOM 1109 CA ALA A 71 -11.839 1.017 -0.246 1.00 0.96 C ATOM 1110 C ALA A 71 -10.649 1.749 0.426 1.00 0.97 C ATOM 1111 O ALA A 71 -10.578 1.826 1.659 1.00 1.92 O ATOM 1112 CB ALA A 71 -12.803 2.075 -0.798 1.00 1.49 C ATOM 0 H ALA A 71 -12.367 0.364 1.670 1.00 1.02 H new ATOM 0 HA ALA A 71 -11.437 0.377 -1.032 1.00 0.96 H new ATOM 0 HB1 ALA A 71 -12.272 2.721 -1.497 1.00 1.49 H new ATOM 0 HB2 ALA A 71 -13.627 1.582 -1.314 1.00 1.49 H new ATOM 0 HB3 ALA A 71 -13.195 2.674 0.024 1.00 1.49 H new ATOM 1118 N MET A 72 -9.797 2.398 -0.377 1.00 0.74 N ATOM 1119 CA MET A 72 -8.766 3.358 0.053 1.00 0.84 C ATOM 1120 C MET A 72 -8.723 4.600 -0.878 1.00 0.84 C ATOM 1121 O MET A 72 -8.851 4.434 -2.094 1.00 0.78 O ATOM 1122 CB MET A 72 -7.413 2.624 0.097 1.00 1.03 C ATOM 1123 CG MET A 72 -6.289 3.461 0.715 1.00 1.25 C ATOM 1124 SD MET A 72 -4.747 2.548 1.029 1.00 1.15 S ATOM 1125 CE MET A 72 -4.112 2.354 -0.657 1.00 1.18 C ATOM 0 H MET A 72 -9.805 2.265 -1.388 1.00 0.74 H new ATOM 0 HA MET A 72 -9.004 3.737 1.047 1.00 0.84 H new ATOM 0 HB2 MET A 72 -7.526 1.702 0.668 1.00 1.03 H new ATOM 0 HB3 MET A 72 -7.129 2.339 -0.916 1.00 1.03 H new ATOM 0 HG2 MET A 72 -6.071 4.298 0.052 1.00 1.25 H new ATOM 0 HG3 MET A 72 -6.643 3.883 1.655 1.00 1.25 H new ATOM 0 HE1 MET A 72 -3.225 1.721 -0.641 1.00 1.18 H new ATOM 0 HE2 MET A 72 -4.876 1.892 -1.283 1.00 1.18 H new ATOM 0 HE3 MET A 72 -3.853 3.332 -1.063 1.00 1.18 H new ATOM 1135 N PRO A 73 -8.537 5.838 -0.365 1.00 1.04 N ATOM 1136 CA PRO A 73 -8.538 7.067 -1.174 1.00 1.15 C ATOM 1137 C PRO A 73 -7.144 7.482 -1.691 1.00 1.37 C ATOM 1138 O PRO A 73 -6.115 6.965 -1.249 1.00 1.50 O ATOM 1139 CB PRO A 73 -9.132 8.131 -0.241 1.00 1.26 C ATOM 1140 CG PRO A 73 -8.591 7.718 1.126 1.00 1.36 C ATOM 1141 CD PRO A 73 -8.580 6.189 1.051 1.00 1.22 C ATOM 0 HA PRO A 73 -9.113 6.926 -2.089 1.00 1.15 H new ATOM 0 HB2 PRO A 73 -8.812 9.136 -0.517 1.00 1.26 H new ATOM 0 HB3 PRO A 73 -10.222 8.127 -0.263 1.00 1.26 H new ATOM 0 HG2 PRO A 73 -7.593 8.120 1.302 1.00 1.36 H new ATOM 0 HG3 PRO A 73 -9.226 8.077 1.936 1.00 1.36 H new ATOM 0 HD2 PRO A 73 -7.716 5.782 1.577 1.00 1.22 H new ATOM 0 HD3 PRO A 73 -9.468 5.772 1.526 1.00 1.22 H new ATOM 1149 N ASN A 74 -7.106 8.463 -2.605 1.00 1.49 N ATOM 1150 CA ASN A 74 -5.887 9.209 -2.964 1.00 1.74 C ATOM 1151 C ASN A 74 -5.591 10.270 -1.884 1.00 1.86 C ATOM 1152 O ASN A 74 -6.267 11.298 -1.816 1.00 2.68 O ATOM 1153 CB ASN A 74 -6.067 9.826 -4.368 1.00 1.86 C ATOM 1154 CG ASN A 74 -4.915 10.712 -4.840 1.00 2.08 C ATOM 1155 OD1 ASN A 74 -3.910 10.938 -4.178 1.00 1.92 O ATOM 1156 ND2 ASN A 74 -5.038 11.257 -6.026 1.00 2.91 N ATOM 0 H ASN A 74 -7.931 8.766 -3.123 1.00 1.49 H new ATOM 0 HA ASN A 74 -5.025 8.543 -3.004 1.00 1.74 H new ATOM 0 HB2 ASN A 74 -6.202 9.019 -5.088 1.00 1.86 H new ATOM 0 HB3 ASN A 74 -6.984 10.415 -4.374 1.00 1.86 H new ATOM 0 HD21 ASN A 74 -4.301 11.862 -6.388 1.00 2.91 H new ATOM 0 HD22 ASN A 74 -5.871 11.076 -6.587 1.00 2.91 H new ATOM 1163 N MET A 75 -4.582 10.016 -1.047 1.00 1.46 N ATOM 1164 CA MET A 75 -4.204 10.853 0.105 1.00 1.49 C ATOM 1165 C MET A 75 -3.172 11.948 -0.240 1.00 1.43 C ATOM 1166 O MET A 75 -2.725 12.669 0.656 1.00 1.83 O ATOM 1167 CB MET A 75 -3.719 9.954 1.261 1.00 1.58 C ATOM 1168 CG MET A 75 -4.799 8.993 1.778 1.00 1.78 C ATOM 1169 SD MET A 75 -4.248 7.799 3.038 1.00 2.04 S ATOM 1170 CE MET A 75 -3.890 8.904 4.433 1.00 2.83 C ATOM 0 H MET A 75 -3.984 9.197 -1.152 1.00 1.46 H new ATOM 0 HA MET A 75 -5.096 11.395 0.419 1.00 1.49 H new ATOM 0 HB2 MET A 75 -2.858 9.375 0.925 1.00 1.58 H new ATOM 0 HB3 MET A 75 -3.379 10.583 2.083 1.00 1.58 H new ATOM 0 HG2 MET A 75 -5.616 9.582 2.194 1.00 1.78 H new ATOM 0 HG3 MET A 75 -5.204 8.440 0.931 1.00 1.78 H new ATOM 0 HE1 MET A 75 -3.609 8.311 5.304 1.00 2.83 H new ATOM 0 HE2 MET A 75 -3.069 9.571 4.168 1.00 2.83 H new ATOM 0 HE3 MET A 75 -4.776 9.494 4.666 1.00 2.83 H new ATOM 1180 N ARG A 76 -2.788 12.087 -1.520 1.00 1.79 N ATOM 1181 CA ARG A 76 -1.806 13.063 -2.039 1.00 1.85 C ATOM 1182 C ARG A 76 -0.488 13.087 -1.255 1.00 1.18 C ATOM 1183 O ARG A 76 -0.085 14.122 -0.710 1.00 1.36 O ATOM 1184 CB ARG A 76 -2.453 14.449 -2.237 1.00 2.85 C ATOM 1185 CG ARG A 76 -3.685 14.395 -3.162 1.00 3.92 C ATOM 1186 CD ARG A 76 -4.158 15.781 -3.614 1.00 4.71 C ATOM 1187 NE ARG A 76 -4.535 16.642 -2.482 1.00 4.47 N ATOM 1188 CZ ARG A 76 -5.354 17.710 -2.546 1.00 5.18 C ATOM 1189 NH1 ARG A 76 -5.964 18.069 -3.687 1.00 5.96 N ATOM 1190 NH2 ARG A 76 -5.564 18.435 -1.439 1.00 5.72 N ATOM 0 H ARG A 76 -3.170 11.496 -2.258 1.00 1.79 H new ATOM 0 HA ARG A 76 -1.504 12.720 -3.029 1.00 1.85 H new ATOM 0 HB2 ARG A 76 -2.747 14.852 -1.268 1.00 2.85 H new ATOM 0 HB3 ARG A 76 -1.717 15.134 -2.657 1.00 2.85 H new ATOM 0 HG2 ARG A 76 -3.447 13.795 -4.040 1.00 3.92 H new ATOM 0 HG3 ARG A 76 -4.500 13.891 -2.643 1.00 3.92 H new ATOM 0 HD2 ARG A 76 -3.365 16.264 -4.186 1.00 4.71 H new ATOM 0 HD3 ARG A 76 -5.012 15.670 -4.283 1.00 4.71 H new ATOM 0 HE ARG A 76 -4.142 16.410 -1.570 1.00 4.47 H new ATOM 0 HH11 ARG A 76 -5.813 17.528 -4.538 1.00 5.96 H new ATOM 0 HH12 ARG A 76 -6.578 18.883 -3.703 1.00 5.96 H new ATOM 0 HH21 ARG A 76 -5.107 18.175 -0.565 1.00 5.72 H new ATOM 0 HH22 ARG A 76 -6.181 19.247 -1.470 1.00 5.72 H new ATOM 1204 N LEU A 77 0.190 11.941 -1.193 1.00 1.02 N ATOM 1205 CA LEU A 77 1.563 11.823 -0.685 1.00 1.21 C ATOM 1206 C LEU A 77 2.565 12.453 -1.678 1.00 1.43 C ATOM 1207 O LEU A 77 2.263 12.597 -2.866 1.00 1.74 O ATOM 1208 CB LEU A 77 1.933 10.342 -0.455 1.00 1.47 C ATOM 1209 CG LEU A 77 1.121 9.472 0.530 1.00 1.26 C ATOM 1210 CD1 LEU A 77 0.813 10.184 1.843 1.00 2.98 C ATOM 1211 CD2 LEU A 77 -0.182 8.930 -0.055 1.00 2.14 C ATOM 0 H LEU A 77 -0.204 11.051 -1.499 1.00 1.02 H new ATOM 0 HA LEU A 77 1.616 12.356 0.264 1.00 1.21 H new ATOM 0 HB2 LEU A 77 1.896 9.847 -1.426 1.00 1.47 H new ATOM 0 HB3 LEU A 77 2.971 10.318 -0.124 1.00 1.47 H new ATOM 0 HG LEU A 77 1.782 8.629 0.729 1.00 1.26 H new ATOM 0 HD11 LEU A 77 0.241 9.520 2.491 1.00 2.98 H new ATOM 0 HD12 LEU A 77 1.746 10.457 2.336 1.00 2.98 H new ATOM 0 HD13 LEU A 77 0.232 11.084 1.641 1.00 2.98 H new ATOM 0 HD21 LEU A 77 -0.696 8.329 0.696 1.00 2.14 H new ATOM 0 HD22 LEU A 77 -0.820 9.762 -0.353 1.00 2.14 H new ATOM 0 HD23 LEU A 77 0.039 8.312 -0.925 1.00 2.14 H new ATOM 1223 N GLY A 78 3.778 12.783 -1.224 1.00 1.42 N ATOM 1224 CA GLY A 78 4.909 13.070 -2.121 1.00 1.60 C ATOM 1225 C GLY A 78 5.620 11.791 -2.597 1.00 1.18 C ATOM 1226 O GLY A 78 5.739 10.837 -1.833 1.00 1.00 O ATOM 0 H GLY A 78 4.006 12.859 -0.233 1.00 1.42 H new ATOM 0 HA2 GLY A 78 4.550 13.627 -2.987 1.00 1.60 H new ATOM 0 HA3 GLY A 78 5.625 13.710 -1.605 1.00 1.60 H new ATOM 1230 N ASP A 79 6.138 11.745 -3.831 1.00 1.16 N ATOM 1231 CA ASP A 79 6.855 10.564 -4.358 1.00 1.06 C ATOM 1232 C ASP A 79 8.110 10.193 -3.538 1.00 0.93 C ATOM 1233 O ASP A 79 8.405 9.008 -3.376 1.00 1.17 O ATOM 1234 CB ASP A 79 7.210 10.784 -5.840 1.00 1.29 C ATOM 1235 CG ASP A 79 7.949 9.594 -6.473 1.00 2.46 C ATOM 1236 OD1 ASP A 79 7.319 8.527 -6.682 1.00 3.57 O ATOM 1237 OD2 ASP A 79 9.156 9.751 -6.805 1.00 3.37 O ATOM 0 H ASP A 79 6.076 12.518 -4.493 1.00 1.16 H new ATOM 0 HA ASP A 79 6.178 9.714 -4.267 1.00 1.06 H new ATOM 0 HB2 ASP A 79 6.295 10.974 -6.401 1.00 1.29 H new ATOM 0 HB3 ASP A 79 7.830 11.676 -5.929 1.00 1.29 H new ATOM 1242 N ALA A 80 8.816 11.168 -2.958 1.00 0.99 N ATOM 1243 CA ALA A 80 9.961 10.900 -2.076 1.00 1.02 C ATOM 1244 C ALA A 80 9.540 10.350 -0.693 1.00 0.94 C ATOM 1245 O ALA A 80 10.240 9.509 -0.123 1.00 1.02 O ATOM 1246 CB ALA A 80 10.801 12.179 -1.962 1.00 1.30 C ATOM 0 H ALA A 80 8.614 12.160 -3.084 1.00 0.99 H new ATOM 0 HA ALA A 80 10.565 10.108 -2.518 1.00 1.02 H new ATOM 0 HB1 ALA A 80 11.655 11.996 -1.310 1.00 1.30 H new ATOM 0 HB2 ALA A 80 11.155 12.471 -2.951 1.00 1.30 H new ATOM 0 HB3 ALA A 80 10.190 12.979 -1.544 1.00 1.30 H new ATOM 1252 N GLU A 81 8.374 10.766 -0.187 1.00 0.98 N ATOM 1253 CA GLU A 81 7.717 10.265 1.029 1.00 1.00 C ATOM 1254 C GLU A 81 7.175 8.838 0.817 1.00 0.86 C ATOM 1255 O GLU A 81 7.336 7.968 1.672 1.00 0.85 O ATOM 1256 CB GLU A 81 6.643 11.308 1.422 1.00 1.27 C ATOM 1257 CG GLU A 81 5.398 10.799 2.164 1.00 1.28 C ATOM 1258 CD GLU A 81 4.455 11.947 2.570 1.00 1.31 C ATOM 1259 OE1 GLU A 81 4.255 12.882 1.758 1.00 2.02 O ATOM 1260 OE2 GLU A 81 3.903 11.936 3.697 1.00 2.47 O ATOM 0 H GLU A 81 7.832 11.502 -0.639 1.00 0.98 H new ATOM 0 HA GLU A 81 8.416 10.161 1.859 1.00 1.00 H new ATOM 0 HB2 GLU A 81 7.121 12.064 2.045 1.00 1.27 H new ATOM 0 HB3 GLU A 81 6.311 11.808 0.512 1.00 1.27 H new ATOM 0 HG2 GLU A 81 4.860 10.096 1.528 1.00 1.28 H new ATOM 0 HG3 GLU A 81 5.706 10.251 3.055 1.00 1.28 H new ATOM 1267 N VAL A 82 6.625 8.556 -0.368 1.00 0.82 N ATOM 1268 CA VAL A 82 6.229 7.204 -0.788 1.00 0.81 C ATOM 1269 C VAL A 82 7.446 6.303 -0.934 1.00 0.72 C ATOM 1270 O VAL A 82 7.456 5.217 -0.365 1.00 0.77 O ATOM 1271 CB VAL A 82 5.393 7.247 -2.079 1.00 0.88 C ATOM 1272 CG1 VAL A 82 5.138 5.855 -2.669 1.00 0.96 C ATOM 1273 CG2 VAL A 82 4.035 7.879 -1.772 1.00 1.05 C ATOM 0 H VAL A 82 6.439 9.269 -1.074 1.00 0.82 H new ATOM 0 HA VAL A 82 5.598 6.777 -0.009 1.00 0.81 H new ATOM 0 HB VAL A 82 5.961 7.827 -2.806 1.00 0.88 H new ATOM 0 HG11 VAL A 82 4.544 5.948 -3.578 1.00 0.96 H new ATOM 0 HG12 VAL A 82 6.090 5.380 -2.905 1.00 0.96 H new ATOM 0 HG13 VAL A 82 4.599 5.246 -1.944 1.00 0.96 H new ATOM 0 HG21 VAL A 82 3.436 7.914 -2.682 1.00 1.05 H new ATOM 0 HG22 VAL A 82 3.518 7.283 -1.019 1.00 1.05 H new ATOM 0 HG23 VAL A 82 4.182 8.891 -1.396 1.00 1.05 H new ATOM 1283 N SER A 83 8.505 6.743 -1.617 1.00 0.67 N ATOM 1284 CA SER A 83 9.740 5.956 -1.757 1.00 0.69 C ATOM 1285 C SER A 83 10.345 5.589 -0.398 1.00 0.63 C ATOM 1286 O SER A 83 10.777 4.451 -0.217 1.00 0.64 O ATOM 1287 CB SER A 83 10.749 6.743 -2.591 1.00 0.83 C ATOM 1288 OG SER A 83 11.989 6.064 -2.634 1.00 2.23 O ATOM 0 H SER A 83 8.535 7.648 -2.087 1.00 0.67 H new ATOM 0 HA SER A 83 9.491 5.021 -2.260 1.00 0.69 H new ATOM 0 HB2 SER A 83 10.367 6.880 -3.603 1.00 0.83 H new ATOM 0 HB3 SER A 83 10.886 7.737 -2.165 1.00 0.83 H new ATOM 0 HG SER A 83 12.625 6.579 -3.173 1.00 2.23 H new ATOM 1294 N ALA A 84 10.301 6.499 0.584 1.00 0.68 N ATOM 1295 CA ALA A 84 10.701 6.218 1.961 1.00 0.70 C ATOM 1296 C ALA A 84 9.837 5.115 2.609 1.00 0.65 C ATOM 1297 O ALA A 84 10.386 4.210 3.237 1.00 0.66 O ATOM 1298 CB ALA A 84 10.661 7.529 2.755 1.00 0.80 C ATOM 0 H ALA A 84 9.984 7.458 0.439 1.00 0.68 H new ATOM 0 HA ALA A 84 11.717 5.824 1.967 1.00 0.70 H new ATOM 0 HB1 ALA A 84 10.957 7.339 3.787 1.00 0.80 H new ATOM 0 HB2 ALA A 84 11.348 8.247 2.307 1.00 0.80 H new ATOM 0 HB3 ALA A 84 9.650 7.935 2.737 1.00 0.80 H new ATOM 1304 N LEU A 85 8.511 5.124 2.412 1.00 0.66 N ATOM 1305 CA LEU A 85 7.618 4.033 2.837 1.00 0.67 C ATOM 1306 C LEU A 85 7.971 2.690 2.168 1.00 0.70 C ATOM 1307 O LEU A 85 7.983 1.663 2.845 1.00 0.85 O ATOM 1308 CB LEU A 85 6.148 4.411 2.552 1.00 0.73 C ATOM 1309 CG LEU A 85 5.561 5.484 3.484 1.00 1.33 C ATOM 1310 CD1 LEU A 85 4.285 6.062 2.867 1.00 2.38 C ATOM 1311 CD2 LEU A 85 5.193 4.877 4.837 1.00 1.76 C ATOM 0 H LEU A 85 8.024 5.892 1.951 1.00 0.66 H new ATOM 0 HA LEU A 85 7.756 3.898 3.910 1.00 0.67 H new ATOM 0 HB2 LEU A 85 6.072 4.764 1.523 1.00 0.73 H new ATOM 0 HB3 LEU A 85 5.536 3.512 2.627 1.00 0.73 H new ATOM 0 HG LEU A 85 6.312 6.262 3.618 1.00 1.33 H new ATOM 0 HD11 LEU A 85 3.872 6.822 3.530 1.00 2.38 H new ATOM 0 HD12 LEU A 85 4.519 6.511 1.902 1.00 2.38 H new ATOM 0 HD13 LEU A 85 3.554 5.265 2.729 1.00 2.38 H new ATOM 0 HD21 LEU A 85 4.779 5.652 5.483 1.00 1.76 H new ATOM 0 HD22 LEU A 85 4.452 4.090 4.693 1.00 1.76 H new ATOM 0 HD23 LEU A 85 6.085 4.455 5.301 1.00 1.76 H new ATOM 1323 N ILE A 86 8.321 2.681 0.877 1.00 0.61 N ATOM 1324 CA ILE A 86 8.708 1.458 0.144 1.00 0.67 C ATOM 1325 C ILE A 86 10.051 0.925 0.685 1.00 0.68 C ATOM 1326 O ILE A 86 10.241 -0.286 0.832 1.00 0.81 O ATOM 1327 CB ILE A 86 8.778 1.697 -1.386 1.00 0.73 C ATOM 1328 CG1 ILE A 86 7.563 2.399 -2.036 1.00 1.18 C ATOM 1329 CG2 ILE A 86 8.976 0.366 -2.126 1.00 1.35 C ATOM 1330 CD1 ILE A 86 6.179 1.998 -1.508 1.00 0.88 C ATOM 0 H ILE A 86 8.346 3.524 0.303 1.00 0.61 H new ATOM 0 HA ILE A 86 7.936 0.706 0.310 1.00 0.67 H new ATOM 0 HB ILE A 86 9.622 2.379 -1.488 1.00 0.73 H new ATOM 0 HG12 ILE A 86 7.680 3.475 -1.905 1.00 1.18 H new ATOM 0 HG13 ILE A 86 7.589 2.204 -3.108 1.00 1.18 H new ATOM 0 HG21 ILE A 86 9.023 0.550 -3.199 1.00 1.35 H new ATOM 0 HG22 ILE A 86 9.905 -0.099 -1.796 1.00 1.35 H new ATOM 0 HG23 ILE A 86 8.140 -0.299 -1.908 1.00 1.35 H new ATOM 0 HD11 ILE A 86 5.410 2.557 -2.041 1.00 0.88 H new ATOM 0 HD12 ILE A 86 6.025 0.930 -1.665 1.00 0.88 H new ATOM 0 HD13 ILE A 86 6.117 2.221 -0.443 1.00 0.88 H new ATOM 1342 N SER A 87 10.967 1.831 1.038 1.00 0.62 N ATOM 1343 CA SER A 87 12.247 1.526 1.693 1.00 0.69 C ATOM 1344 C SER A 87 12.095 1.054 3.149 1.00 0.81 C ATOM 1345 O SER A 87 12.969 0.338 3.635 1.00 1.11 O ATOM 1346 CB SER A 87 13.171 2.747 1.615 1.00 0.73 C ATOM 1347 OG SER A 87 13.461 3.079 0.268 1.00 1.52 O ATOM 0 H SER A 87 10.836 2.829 0.872 1.00 0.62 H new ATOM 0 HA SER A 87 12.688 0.689 1.152 1.00 0.69 H new ATOM 0 HB2 SER A 87 12.700 3.596 2.109 1.00 0.73 H new ATOM 0 HB3 SER A 87 14.098 2.541 2.150 1.00 0.73 H new ATOM 0 HG SER A 87 12.705 3.568 -0.119 1.00 1.52 H new ATOM 1353 N TYR A 88 10.997 1.389 3.844 1.00 0.72 N ATOM 1354 CA TYR A 88 10.659 0.773 5.140 1.00 0.83 C ATOM 1355 C TYR A 88 10.056 -0.631 4.993 1.00 0.81 C ATOM 1356 O TYR A 88 10.449 -1.545 5.716 1.00 0.89 O ATOM 1357 CB TYR A 88 9.739 1.699 5.952 1.00 0.96 C ATOM 1358 CG TYR A 88 8.992 1.055 7.114 1.00 0.85 C ATOM 1359 CD1 TYR A 88 9.679 0.262 8.058 1.00 1.95 C ATOM 1360 CD2 TYR A 88 7.595 1.212 7.228 1.00 1.78 C ATOM 1361 CE1 TYR A 88 8.974 -0.417 9.068 1.00 1.83 C ATOM 1362 CE2 TYR A 88 6.887 0.544 8.249 1.00 1.97 C ATOM 1363 CZ TYR A 88 7.573 -0.292 9.153 1.00 0.99 C ATOM 1364 OH TYR A 88 6.876 -0.996 10.085 1.00 1.26 O ATOM 0 H TYR A 88 10.323 2.087 3.529 1.00 0.72 H new ATOM 0 HA TYR A 88 11.593 0.644 5.687 1.00 0.83 H new ATOM 0 HB2 TYR A 88 10.339 2.520 6.344 1.00 0.96 H new ATOM 0 HB3 TYR A 88 9.006 2.135 5.273 1.00 0.96 H new ATOM 0 HD1 TYR A 88 10.754 0.176 8.004 1.00 1.95 H new ATOM 0 HD2 TYR A 88 7.066 1.845 6.532 1.00 1.78 H new ATOM 0 HE1 TYR A 88 9.506 -1.033 9.778 1.00 1.83 H new ATOM 0 HE2 TYR A 88 5.818 0.673 8.338 1.00 1.97 H new ATOM 0 HH TYR A 88 7.332 -1.845 10.262 1.00 1.26 H new ATOM 1374 N LEU A 89 9.133 -0.835 4.048 1.00 0.75 N ATOM 1375 CA LEU A 89 8.431 -2.115 3.902 1.00 0.81 C ATOM 1376 C LEU A 89 9.382 -3.295 3.626 1.00 0.94 C ATOM 1377 O LEU A 89 9.188 -4.371 4.188 1.00 1.26 O ATOM 1378 CB LEU A 89 7.353 -1.970 2.813 1.00 0.81 C ATOM 1379 CG LEU A 89 6.125 -1.144 3.239 1.00 1.19 C ATOM 1380 CD1 LEU A 89 5.210 -0.922 2.034 1.00 2.02 C ATOM 1381 CD2 LEU A 89 5.308 -1.839 4.330 1.00 2.21 C ATOM 0 H LEU A 89 8.853 -0.127 3.369 1.00 0.75 H new ATOM 0 HA LEU A 89 7.954 -2.357 4.852 1.00 0.81 H new ATOM 0 HB2 LEU A 89 7.801 -1.505 1.935 1.00 0.81 H new ATOM 0 HB3 LEU A 89 7.021 -2.964 2.513 1.00 0.81 H new ATOM 0 HG LEU A 89 6.499 -0.199 3.632 1.00 1.19 H new ATOM 0 HD11 LEU A 89 4.342 -0.337 2.339 1.00 2.02 H new ATOM 0 HD12 LEU A 89 5.755 -0.385 1.258 1.00 2.02 H new ATOM 0 HD13 LEU A 89 4.880 -1.885 1.645 1.00 2.02 H new ATOM 0 HD21 LEU A 89 4.453 -1.217 4.596 1.00 2.21 H new ATOM 0 HD22 LEU A 89 4.955 -2.803 3.962 1.00 2.21 H new ATOM 0 HD23 LEU A 89 5.933 -1.993 5.210 1.00 2.21 H new ATOM 1393 N GLU A 90 10.444 -3.086 2.841 1.00 0.86 N ATOM 1394 CA GLU A 90 11.498 -4.091 2.623 1.00 1.05 C ATOM 1395 C GLU A 90 12.386 -4.340 3.859 1.00 1.09 C ATOM 1396 O GLU A 90 12.777 -5.483 4.092 1.00 1.20 O ATOM 1397 CB GLU A 90 12.324 -3.676 1.395 1.00 1.19 C ATOM 1398 CG GLU A 90 13.301 -4.748 0.877 1.00 1.84 C ATOM 1399 CD GLU A 90 14.664 -4.767 1.582 1.00 3.39 C ATOM 1400 OE1 GLU A 90 15.333 -3.705 1.661 1.00 4.14 O ATOM 1401 OE2 GLU A 90 15.163 -5.861 1.943 1.00 4.62 O ATOM 0 H GLU A 90 10.600 -2.214 2.336 1.00 0.86 H new ATOM 0 HA GLU A 90 11.016 -5.051 2.440 1.00 1.05 H new ATOM 0 HB2 GLU A 90 11.640 -3.409 0.589 1.00 1.19 H new ATOM 0 HB3 GLU A 90 12.891 -2.779 1.643 1.00 1.19 H new ATOM 0 HG2 GLU A 90 12.836 -5.728 0.988 1.00 1.84 H new ATOM 0 HG3 GLU A 90 13.461 -4.590 -0.190 1.00 1.84 H new ATOM 1408 N GLU A 91 12.668 -3.322 4.688 1.00 1.08 N ATOM 1409 CA GLU A 91 13.348 -3.529 5.983 1.00 1.31 C ATOM 1410 C GLU A 91 12.505 -4.419 6.907 1.00 1.29 C ATOM 1411 O GLU A 91 13.031 -5.342 7.534 1.00 1.47 O ATOM 1412 CB GLU A 91 13.617 -2.189 6.702 1.00 1.77 C ATOM 1413 CG GLU A 91 14.760 -1.357 6.111 1.00 1.94 C ATOM 1414 CD GLU A 91 16.121 -1.894 6.553 1.00 2.77 C ATOM 1415 OE1 GLU A 91 16.642 -1.483 7.619 1.00 3.87 O ATOM 1416 OE2 GLU A 91 16.701 -2.746 5.844 1.00 3.45 O ATOM 0 H GLU A 91 12.438 -2.349 4.488 1.00 1.08 H new ATOM 0 HA GLU A 91 14.299 -4.016 5.766 1.00 1.31 H new ATOM 0 HB2 GLU A 91 12.705 -1.593 6.681 1.00 1.77 H new ATOM 0 HB3 GLU A 91 13.840 -2.394 7.749 1.00 1.77 H new ATOM 0 HG2 GLU A 91 14.697 -1.369 5.023 1.00 1.94 H new ATOM 0 HG3 GLU A 91 14.657 -0.318 6.424 1.00 1.94 H new ATOM 1423 N GLU A 92 11.191 -4.186 6.969 1.00 1.22 N ATOM 1424 CA GLU A 92 10.292 -4.976 7.814 1.00 1.41 C ATOM 1425 C GLU A 92 10.133 -6.424 7.305 1.00 1.43 C ATOM 1426 O GLU A 92 10.035 -7.335 8.131 1.00 1.68 O ATOM 1427 CB GLU A 92 8.954 -4.237 7.994 1.00 1.48 C ATOM 1428 CG GLU A 92 8.227 -4.612 9.296 1.00 2.36 C ATOM 1429 CD GLU A 92 8.853 -3.993 10.553 1.00 2.58 C ATOM 1430 OE1 GLU A 92 9.894 -4.494 11.038 1.00 3.15 O ATOM 1431 OE2 GLU A 92 8.280 -3.017 11.094 1.00 3.09 O ATOM 0 H GLU A 92 10.724 -3.450 6.439 1.00 1.22 H new ATOM 0 HA GLU A 92 10.741 -5.077 8.802 1.00 1.41 H new ATOM 0 HB2 GLU A 92 9.135 -3.162 7.983 1.00 1.48 H new ATOM 0 HB3 GLU A 92 8.306 -4.460 7.146 1.00 1.48 H new ATOM 0 HG2 GLU A 92 7.187 -4.295 9.225 1.00 2.36 H new ATOM 0 HG3 GLU A 92 8.223 -5.697 9.400 1.00 2.36 H new ATOM 1438 N THR A 93 10.215 -6.661 5.983 1.00 1.28 N ATOM 1439 CA THR A 93 10.358 -8.016 5.411 1.00 1.34 C ATOM 1440 C THR A 93 11.658 -8.684 5.863 1.00 1.35 C ATOM 1441 O THR A 93 11.643 -9.821 6.346 1.00 1.54 O ATOM 1442 CB THR A 93 10.365 -8.025 3.868 1.00 1.36 C ATOM 1443 OG1 THR A 93 9.360 -7.232 3.288 1.00 1.89 O ATOM 1444 CG2 THR A 93 10.159 -9.431 3.303 1.00 1.54 C ATOM 0 H THR A 93 10.184 -5.922 5.281 1.00 1.28 H new ATOM 0 HA THR A 93 9.488 -8.561 5.776 1.00 1.34 H new ATOM 0 HB THR A 93 11.347 -7.623 3.618 1.00 1.36 H new ATOM 0 HG1 THR A 93 8.484 -7.516 3.624 1.00 1.89 H new ATOM 0 HG21 THR A 93 10.171 -9.391 2.214 1.00 1.54 H new ATOM 0 HG22 THR A 93 10.960 -10.084 3.651 1.00 1.54 H new ATOM 0 HG23 THR A 93 9.199 -9.822 3.641 1.00 1.54 H new ATOM 1452 N ALA A 94 12.795 -8.001 5.702 1.00 1.24 N ATOM 1453 CA ALA A 94 14.120 -8.584 5.910 1.00 1.35 C ATOM 1454 C ALA A 94 14.407 -8.919 7.382 1.00 1.54 C ATOM 1455 O ALA A 94 15.008 -9.959 7.666 1.00 1.84 O ATOM 1456 CB ALA A 94 15.157 -7.612 5.352 1.00 1.31 C ATOM 0 H ALA A 94 12.820 -7.021 5.422 1.00 1.24 H new ATOM 0 HA ALA A 94 14.167 -9.538 5.384 1.00 1.35 H new ATOM 0 HB1 ALA A 94 16.156 -8.024 5.495 1.00 1.31 H new ATOM 0 HB2 ALA A 94 14.977 -7.459 4.288 1.00 1.31 H new ATOM 0 HB3 ALA A 94 15.080 -6.658 5.874 1.00 1.31 H new ATOM 1462 N ARG A 95 13.919 -8.092 8.317 1.00 1.51 N ATOM 1463 CA ARG A 95 13.983 -8.328 9.772 1.00 1.81 C ATOM 1464 C ARG A 95 13.368 -9.665 10.201 1.00 2.18 C ATOM 1465 O ARG A 95 13.902 -10.314 11.102 1.00 2.65 O ATOM 1466 CB ARG A 95 13.268 -7.171 10.492 1.00 2.21 C ATOM 1467 CG ARG A 95 14.127 -5.899 10.551 1.00 2.46 C ATOM 1468 CD ARG A 95 13.276 -4.705 10.990 1.00 3.53 C ATOM 1469 NE ARG A 95 14.081 -3.482 11.107 1.00 3.80 N ATOM 1470 CZ ARG A 95 13.589 -2.247 11.314 1.00 5.02 C ATOM 1471 NH1 ARG A 95 12.269 -2.021 11.403 1.00 6.04 N ATOM 1472 NH2 ARG A 95 14.439 -1.220 11.439 1.00 5.74 N ATOM 0 H ARG A 95 13.455 -7.215 8.079 1.00 1.51 H new ATOM 0 HA ARG A 95 15.036 -8.374 10.048 1.00 1.81 H new ATOM 0 HB2 ARG A 95 12.332 -6.951 9.979 1.00 2.21 H new ATOM 0 HB3 ARG A 95 13.011 -7.480 11.505 1.00 2.21 H new ATOM 0 HG2 ARG A 95 14.953 -6.042 11.248 1.00 2.46 H new ATOM 0 HG3 ARG A 95 14.565 -5.702 9.573 1.00 2.46 H new ATOM 0 HD2 ARG A 95 12.473 -4.545 10.270 1.00 3.53 H new ATOM 0 HD3 ARG A 95 12.806 -4.925 11.948 1.00 3.53 H new ATOM 0 HE ARG A 95 15.093 -3.576 11.025 1.00 3.80 H new ATOM 0 HH11 ARG A 95 11.612 -2.796 11.313 1.00 6.04 H new ATOM 0 HH12 ARG A 95 11.923 -1.074 11.560 1.00 6.04 H new ATOM 0 HH21 ARG A 95 15.445 -1.380 11.377 1.00 5.74 H new ATOM 0 HH22 ARG A 95 14.081 -0.278 11.596 1.00 5.74 H new ATOM 1486 N LEU A 96 12.297 -10.100 9.530 1.00 2.22 N ATOM 1487 CA LEU A 96 11.553 -11.335 9.831 1.00 2.81 C ATOM 1488 C LEU A 96 12.203 -12.607 9.237 1.00 3.78 C ATOM 1489 O LEU A 96 11.768 -13.720 9.539 1.00 4.57 O ATOM 1490 CB LEU A 96 10.082 -11.129 9.386 1.00 2.98 C ATOM 1491 CG LEU A 96 8.942 -11.557 10.308 1.00 3.83 C ATOM 1492 CD1 LEU A 96 9.004 -13.031 10.628 1.00 4.19 C ATOM 1493 CD2 LEU A 96 8.976 -10.742 11.585 1.00 4.73 C ATOM 0 H LEU A 96 11.909 -9.589 8.737 1.00 2.22 H new ATOM 0 HA LEU A 96 11.582 -11.518 10.905 1.00 2.81 H new ATOM 0 HB2 LEU A 96 9.951 -10.067 9.179 1.00 2.98 H new ATOM 0 HB3 LEU A 96 9.951 -11.657 8.441 1.00 2.98 H new ATOM 0 HG LEU A 96 8.003 -11.373 9.785 1.00 3.83 H new ATOM 0 HD11 LEU A 96 8.176 -13.296 11.286 1.00 4.19 H new ATOM 0 HD12 LEU A 96 8.932 -13.607 9.705 1.00 4.19 H new ATOM 0 HD13 LEU A 96 9.948 -13.256 11.124 1.00 4.19 H new ATOM 0 HD21 LEU A 96 8.160 -11.053 12.237 1.00 4.73 H new ATOM 0 HD22 LEU A 96 9.927 -10.901 12.093 1.00 4.73 H new ATOM 0 HD23 LEU A 96 8.865 -9.685 11.345 1.00 4.73 H new ATOM 1505 N GLN A 97 13.264 -12.459 8.432 1.00 4.39 N ATOM 1506 CA GLN A 97 14.185 -13.519 8.004 1.00 5.93 C ATOM 1507 C GLN A 97 13.499 -14.819 7.526 1.00 7.74 C ATOM 1508 O GLN A 97 13.807 -15.918 8.008 1.00 8.63 O ATOM 1509 CB GLN A 97 15.219 -13.761 9.114 1.00 5.49 C ATOM 1510 CG GLN A 97 16.096 -12.547 9.446 1.00 4.96 C ATOM 1511 CD GLN A 97 16.950 -12.830 10.668 1.00 5.22 C ATOM 1512 OE1 GLN A 97 16.453 -12.951 11.781 1.00 5.41 O ATOM 1513 NE2 GLN A 97 18.240 -13.035 10.516 1.00 6.03 N ATOM 0 H GLN A 97 13.515 -11.550 8.042 1.00 4.39 H new ATOM 0 HA GLN A 97 14.692 -13.167 7.106 1.00 5.93 H new ATOM 0 HB2 GLN A 97 14.696 -14.073 10.018 1.00 5.49 H new ATOM 0 HB3 GLN A 97 15.864 -14.588 8.818 1.00 5.49 H new ATOM 0 HG2 GLN A 97 16.735 -12.308 8.596 1.00 4.96 H new ATOM 0 HG3 GLN A 97 15.468 -11.675 9.628 1.00 4.96 H new ATOM 0 HE21 GLN A 97 18.667 -12.938 9.595 1.00 6.03 H new ATOM 0 HE22 GLN A 97 18.814 -13.291 11.319 1.00 6.03 H new ATOM 1522 N THR A 98 12.557 -14.700 6.587 1.00 8.71 N ATOM 1523 CA THR A 98 11.775 -15.818 6.034 1.00 10.84 C ATOM 1524 C THR A 98 11.700 -15.802 4.491 1.00 12.45 C ATOM 1525 O THR A 98 10.623 -15.608 3.911 1.00 13.17 O ATOM 1526 CB THR A 98 10.411 -15.927 6.741 1.00 11.10 C ATOM 1527 OG1 THR A 98 9.658 -16.947 6.135 1.00 12.30 O ATOM 1528 CG2 THR A 98 9.540 -14.671 6.756 1.00 11.08 C ATOM 0 H THR A 98 12.307 -13.800 6.177 1.00 8.71 H new ATOM 0 HA THR A 98 12.308 -16.743 6.251 1.00 10.84 H new ATOM 0 HB THR A 98 10.671 -16.124 7.781 1.00 11.10 H new ATOM 0 HG1 THR A 98 8.789 -17.022 6.582 1.00 12.30 H new ATOM 0 HG21 THR A 98 8.609 -14.880 7.283 1.00 11.08 H new ATOM 0 HG22 THR A 98 10.071 -13.866 7.264 1.00 11.08 H new ATOM 0 HG23 THR A 98 9.318 -14.370 5.732 1.00 11.08 H new ATOM 1536 N PRO A 99 12.825 -16.054 3.792 1.00 13.42 N ATOM 1537 CA PRO A 99 12.827 -16.311 2.349 1.00 15.40 C ATOM 1538 C PRO A 99 12.135 -17.632 1.964 1.00 17.37 C ATOM 1539 O PRO A 99 11.638 -17.735 0.848 1.00 18.87 O ATOM 1540 CB PRO A 99 14.305 -16.281 1.941 1.00 15.92 C ATOM 1541 CG PRO A 99 15.043 -16.706 3.208 1.00 15.00 C ATOM 1542 CD PRO A 99 14.180 -16.117 4.320 1.00 13.02 C ATOM 0 HA PRO A 99 12.245 -15.559 1.817 1.00 15.40 H new ATOM 0 HB2 PRO A 99 14.505 -16.962 1.114 1.00 15.92 H new ATOM 0 HB3 PRO A 99 14.610 -15.286 1.615 1.00 15.92 H new ATOM 0 HG2 PRO A 99 15.118 -17.791 3.287 1.00 15.00 H new ATOM 0 HG3 PRO A 99 16.059 -16.313 3.234 1.00 15.00 H new ATOM 0 HD2 PRO A 99 14.221 -16.738 5.215 1.00 13.02 H new ATOM 0 HD3 PRO A 99 14.534 -15.126 4.604 1.00 13.02 H new ATOM 1550 N VAL A 100 12.056 -18.584 2.904 1.00 17.54 N ATOM 1551 CA VAL A 100 11.319 -19.874 2.949 1.00 19.28 C ATOM 1552 C VAL A 100 11.553 -20.896 1.817 1.00 21.47 C ATOM 1553 O VAL A 100 11.763 -22.080 2.101 1.00 22.05 O ATOM 1554 CB VAL A 100 9.824 -19.654 3.278 1.00 18.98 C ATOM 1555 CG1 VAL A 100 8.947 -19.212 2.102 1.00 20.34 C ATOM 1556 CG2 VAL A 100 9.201 -20.918 3.877 1.00 19.60 C ATOM 0 H VAL A 100 12.576 -18.458 3.773 1.00 17.54 H new ATOM 0 HA VAL A 100 11.798 -20.396 3.777 1.00 19.28 H new ATOM 0 HB VAL A 100 9.839 -18.831 3.992 1.00 18.98 H new ATOM 0 HG11 VAL A 100 7.919 -19.087 2.442 1.00 20.34 H new ATOM 0 HG12 VAL A 100 9.317 -18.265 1.708 1.00 20.34 H new ATOM 0 HG13 VAL A 100 8.980 -19.969 1.318 1.00 20.34 H new ATOM 0 HG21 VAL A 100 8.150 -20.735 4.099 1.00 19.60 H new ATOM 0 HG22 VAL A 100 9.284 -21.738 3.164 1.00 19.60 H new ATOM 0 HG23 VAL A 100 9.725 -21.182 4.796 1.00 19.60 H new ATOM 1566 N THR A 101 11.574 -20.476 0.551 1.00 22.87 N ATOM 1567 CA THR A 101 11.797 -21.321 -0.642 1.00 25.05 C ATOM 1568 C THR A 101 13.268 -21.689 -0.869 1.00 26.63 C ATOM 1569 O THR A 101 13.586 -22.419 -1.812 1.00 28.20 O ATOM 1570 CB THR A 101 11.232 -20.647 -1.903 1.00 25.86 C ATOM 1571 OG1 THR A 101 11.827 -19.379 -2.085 1.00 25.61 O ATOM 1572 CG2 THR A 101 9.723 -20.433 -1.798 1.00 25.35 C ATOM 0 H THR A 101 11.431 -19.495 0.310 1.00 22.87 H new ATOM 0 HA THR A 101 11.264 -22.251 -0.447 1.00 25.05 H new ATOM 0 HB THR A 101 11.451 -21.308 -2.741 1.00 25.86 H new ATOM 0 HG1 THR A 101 11.462 -18.959 -2.891 1.00 25.61 H new ATOM 0 HG21 THR A 101 9.359 -19.955 -2.707 1.00 25.35 H new ATOM 0 HG22 THR A 101 9.227 -21.395 -1.671 1.00 25.35 H new ATOM 0 HG23 THR A 101 9.505 -19.796 -0.941 1.00 25.35 H new ATOM 1580 N ASN A 102 14.163 -21.202 -0.002 1.00 26.35 N ATOM 1581 CA ASN A 102 15.613 -21.402 0.055 1.00 27.78 C ATOM 1582 C ASN A 102 16.440 -20.960 -1.171 1.00 29.24 C ATOM 1583 O ASN A 102 17.434 -20.252 -0.997 1.00 29.26 O ATOM 1584 CB ASN A 102 15.889 -22.852 0.486 1.00 28.76 C ATOM 1585 CG ASN A 102 17.374 -23.086 0.598 1.00 29.94 C ATOM 1586 OD1 ASN A 102 18.003 -23.617 -0.306 1.00 31.13 O ATOM 1587 ND2 ASN A 102 17.980 -22.623 1.658 1.00 29.76 N ATOM 0 H ASN A 102 13.855 -20.594 0.757 1.00 26.35 H new ATOM 0 HA ASN A 102 15.984 -20.700 0.802 1.00 27.78 H new ATOM 0 HB2 ASN A 102 15.408 -23.053 1.443 1.00 28.76 H new ATOM 0 HB3 ASN A 102 15.458 -23.543 -0.238 1.00 28.76 H new ATOM 0 HD21 ASN A 102 18.994 -22.701 1.741 1.00 29.76 H new ATOM 0 HD22 ASN A 102 17.440 -22.183 2.403 1.00 29.76 H new ATOM 1594 N ARG A 103 16.076 -21.375 -2.392 1.00 30.62 N ATOM 1595 CA ARG A 103 16.764 -21.070 -3.665 1.00 32.30 C ATOM 1596 C ARG A 103 18.280 -21.348 -3.657 1.00 33.67 C ATOM 1597 O ARG A 103 19.041 -20.701 -4.379 1.00 34.55 O ATOM 1598 CB ARG A 103 16.378 -19.660 -4.157 1.00 31.92 C ATOM 1599 CG ARG A 103 14.865 -19.530 -4.403 1.00 32.06 C ATOM 1600 CD ARG A 103 14.510 -18.140 -4.939 1.00 32.08 C ATOM 1601 NE ARG A 103 13.075 -18.043 -5.249 1.00 32.17 N ATOM 1602 CZ ARG A 103 12.444 -16.936 -5.682 1.00 32.28 C ATOM 1603 NH1 ARG A 103 13.098 -15.775 -5.854 1.00 32.34 N ATOM 1604 NH2 ARG A 103 11.132 -16.994 -5.949 1.00 32.50 N ATOM 0 H ARG A 103 15.254 -21.962 -2.531 1.00 30.62 H new ATOM 0 HA ARG A 103 16.401 -21.784 -4.405 1.00 32.30 H new ATOM 0 HB2 ARG A 103 16.690 -18.921 -3.420 1.00 31.92 H new ATOM 0 HB3 ARG A 103 16.916 -19.438 -5.079 1.00 31.92 H new ATOM 0 HG2 ARG A 103 14.543 -20.290 -5.114 1.00 32.06 H new ATOM 0 HG3 ARG A 103 14.325 -19.713 -3.474 1.00 32.06 H new ATOM 0 HD2 ARG A 103 14.778 -17.383 -4.202 1.00 32.08 H new ATOM 0 HD3 ARG A 103 15.094 -17.932 -5.836 1.00 32.08 H new ATOM 0 HE ARG A 103 12.512 -18.884 -5.126 1.00 32.17 H new ATOM 0 HH11 ARG A 103 14.097 -15.718 -5.655 1.00 32.34 H new ATOM 0 HH12 ARG A 103 12.596 -14.951 -6.183 1.00 32.34 H new ATOM 0 HH21 ARG A 103 10.624 -17.870 -5.823 1.00 32.50 H new ATOM 0 HH22 ARG A 103 10.641 -16.162 -6.278 1.00 32.50 H new ATOM 1618 N GLY A 104 18.726 -22.311 -2.848 1.00 34.05 N ATOM 1619 CA GLY A 104 20.116 -22.762 -2.744 1.00 35.54 C ATOM 1620 C GLY A 104 20.978 -22.036 -1.703 1.00 35.31 C ATOM 1621 O GLY A 104 22.146 -22.402 -1.546 1.00 35.75 O ATOM 0 H GLY A 104 18.103 -22.819 -2.221 1.00 34.05 H new ATOM 0 HA2 GLY A 104 20.116 -23.826 -2.509 1.00 35.54 H new ATOM 0 HA3 GLY A 104 20.588 -22.651 -3.720 1.00 35.54 H new ATOM 1625 N ILE A 105 20.458 -21.043 -0.974 1.00 34.77 N ATOM 1626 CA ILE A 105 21.239 -20.284 0.022 1.00 34.73 C ATOM 1627 C ILE A 105 21.591 -21.175 1.238 1.00 35.42 C ATOM 1628 O ILE A 105 20.686 -21.807 1.796 1.00 35.14 O ATOM 1629 CB ILE A 105 20.485 -19.000 0.445 1.00 33.51 C ATOM 1630 CG1 ILE A 105 20.178 -18.057 -0.747 1.00 33.57 C ATOM 1631 CG2 ILE A 105 21.242 -18.228 1.541 1.00 33.20 C ATOM 1632 CD1 ILE A 105 21.394 -17.474 -1.480 1.00 34.41 C ATOM 0 H ILE A 105 19.487 -20.740 -1.053 1.00 34.77 H new ATOM 0 HA ILE A 105 22.179 -19.974 -0.435 1.00 34.73 H new ATOM 0 HB ILE A 105 19.532 -19.342 0.848 1.00 33.51 H new ATOM 0 HG12 ILE A 105 19.572 -18.604 -1.469 1.00 33.57 H new ATOM 0 HG13 ILE A 105 19.569 -17.230 -0.382 1.00 33.57 H new ATOM 0 HG21 ILE A 105 20.680 -17.334 1.810 1.00 33.20 H new ATOM 0 HG22 ILE A 105 21.357 -18.863 2.420 1.00 33.20 H new ATOM 0 HG23 ILE A 105 22.226 -17.941 1.170 1.00 33.20 H new ATOM 0 HD11 ILE A 105 21.055 -16.831 -2.293 1.00 34.41 H new ATOM 0 HD12 ILE A 105 21.994 -16.890 -0.782 1.00 34.41 H new ATOM 0 HD13 ILE A 105 21.997 -18.286 -1.887 1.00 34.41 H new ATOM 1644 N PRO A 106 22.864 -21.240 1.684 1.00 36.41 N ATOM 1645 CA PRO A 106 23.280 -22.023 2.850 1.00 37.21 C ATOM 1646 C PRO A 106 22.905 -21.338 4.172 1.00 36.66 C ATOM 1647 O PRO A 106 23.513 -20.300 4.519 1.00 36.49 O ATOM 1648 CB PRO A 106 24.791 -22.230 2.676 1.00 38.61 C ATOM 1649 CG PRO A 106 25.235 -20.972 1.929 1.00 38.17 C ATOM 1650 CD PRO A 106 24.036 -20.659 1.035 1.00 37.05 C ATOM 1651 OXT PRO A 106 22.025 -21.807 4.891 1.00 36.48 O ATOM 0 HA PRO A 106 22.763 -22.981 2.905 1.00 37.21 H new ATOM 0 HB2 PRO A 106 25.297 -22.327 3.637 1.00 38.61 H new ATOM 0 HB3 PRO A 106 25.010 -23.134 2.108 1.00 38.61 H new ATOM 0 HG2 PRO A 106 25.452 -20.152 2.614 1.00 38.17 H new ATOM 0 HG3 PRO A 106 26.138 -21.148 1.345 1.00 38.17 H new ATOM 0 HD2 PRO A 106 23.916 -19.583 0.912 1.00 37.05 H new ATOM 0 HD3 PRO A 106 24.175 -21.080 0.039 1.00 37.05 H new TER 1659 PRO A 106 HETATM 1660 FE HEC A 107 -3.991 1.092 2.842 1.00 0.86 FE HETATM 1661 CHA HEC A 107 -4.475 -1.774 0.931 1.00 1.08 C HETATM 1662 CHB HEC A 107 -0.740 1.363 1.641 1.00 1.12 C HETATM 1663 CHC HEC A 107 -3.542 4.021 4.698 1.00 0.90 C HETATM 1664 CHD HEC A 107 -7.267 0.890 3.976 1.00 0.94 C HETATM 1665 NA HEC A 107 -2.829 0.013 1.484 1.00 1.04 N HETATM 1666 C1A HEC A 107 -3.241 -1.118 0.831 1.00 1.11 C HETATM 1667 C2A HEC A 107 -2.142 -1.551 -0.003 1.00 1.27 C HETATM 1668 C3A HEC A 107 -1.091 -0.685 0.202 1.00 1.29 C HETATM 1669 C4A HEC A 107 -1.531 0.310 1.157 1.00 1.13 C HETATM 1670 CMA HEC A 107 0.272 -0.818 -0.445 1.00 1.42 C HETATM 1671 CAA HEC A 107 -2.092 -2.799 -0.860 1.00 1.40 C HETATM 1672 CBA HEC A 107 -1.282 -3.919 -0.191 1.00 1.68 C HETATM 1673 CGA HEC A 107 -1.956 -5.274 -0.291 1.00 1.54 C HETATM 1674 O1A HEC A 107 -2.315 -5.823 0.772 1.00 2.44 O HETATM 1675 O2A HEC A 107 -2.067 -5.781 -1.424 1.00 2.25 O HETATM 1676 NB HEC A 107 -2.419 2.442 3.134 1.00 0.91 N HETATM 1677 C1B HEC A 107 -1.193 2.334 2.544 1.00 1.01 C HETATM 1678 C2B HEC A 107 -0.392 3.444 3.007 1.00 1.09 C HETATM 1679 C3B HEC A 107 -1.177 4.211 3.846 1.00 1.02 C HETATM 1680 C4B HEC A 107 -2.466 3.558 3.934 1.00 0.92 C HETATM 1681 CMB HEC A 107 1.033 3.734 2.589 1.00 1.31 C HETATM 1682 CAB HEC A 107 -0.774 5.504 4.539 1.00 1.09 C HETATM 1683 CBB HEC A 107 -0.549 6.646 3.544 1.00 1.33 C HETATM 1684 NC HEC A 107 -5.170 2.217 4.141 1.00 0.79 N HETATM 1685 C1C HEC A 107 -4.766 3.357 4.779 1.00 0.82 C HETATM 1686 C2C HEC A 107 -5.880 3.828 5.563 1.00 0.83 C HETATM 1687 C3C HEC A 107 -6.879 2.884 5.459 1.00 0.78 C HETATM 1688 C4C HEC A 107 -6.464 1.928 4.462 1.00 0.81 C HETATM 1689 CMC HEC A 107 -5.934 5.141 6.313 1.00 0.93 C HETATM 1690 CAC HEC A 107 -8.116 2.768 6.326 1.00 0.76 C HETATM 1691 CBC HEC A 107 -9.234 3.686 5.826 1.00 0.90 C HETATM 1692 ND HEC A 107 -5.592 -0.218 2.518 1.00 0.94 N HETATM 1693 C1D HEC A 107 -6.827 -0.083 3.075 1.00 1.00 C HETATM 1694 C2D HEC A 107 -7.653 -1.148 2.551 1.00 1.19 C HETATM 1695 C3D HEC A 107 -6.854 -1.922 1.735 1.00 1.12 C HETATM 1696 C4D HEC A 107 -5.543 -1.317 1.714 1.00 1.02 C HETATM 1697 CMD HEC A 107 -9.133 -1.346 2.791 1.00 1.50 C HETATM 1698 CAD HEC A 107 -7.340 -3.013 0.800 1.00 1.33 C HETATM 1699 CBD HEC A 107 -7.312 -2.602 -0.685 1.00 2.54 C HETATM 1700 CGD HEC A 107 -7.456 -1.098 -0.898 1.00 3.64 C HETATM 1701 O1D HEC A 107 -6.399 -0.437 -0.993 1.00 4.53 O HETATM 1702 O2D HEC A 107 -8.609 -0.633 -0.995 1.00 4.33 O HETATM 0 HMD3 HEC A 107 -9.316 -1.466 3.859 1.00 1.50 H new HETATM 0 HMD2 HEC A 107 -9.680 -0.477 2.425 1.00 1.50 H new HETATM 0 HMD1 HEC A 107 -9.471 -2.237 2.263 1.00 1.50 H new HETATM 0 HMC3 HEC A 107 -5.133 5.171 7.052 1.00 0.93 H new HETATM 0 HMC2 HEC A 107 -5.811 5.966 5.611 1.00 0.93 H new HETATM 0 HMC1 HEC A 107 -6.896 5.233 6.817 1.00 0.93 H new HETATM 0 HMB3 HEC A 107 1.670 2.892 2.860 1.00 1.31 H new HETATM 0 HMB2 HEC A 107 1.072 3.886 1.510 1.00 1.31 H new HETATM 0 HMB1 HEC A 107 1.385 4.633 3.095 1.00 1.31 H new HETATM 0 HMA3 HEC A 107 0.718 -1.771 -0.161 1.00 1.42 H new HETATM 0 HMA2 HEC A 107 0.166 -0.776 -1.529 1.00 1.42 H new HETATM 0 HMA1 HEC A 107 0.914 -0.003 -0.112 1.00 1.42 H new HETATM 0 HBD2 HEC A 107 -6.375 -2.937 -1.130 1.00 2.54 H new HETATM 0 HBD1 HEC A 107 -8.116 -3.115 -1.212 1.00 2.54 H new HETATM 0 HBC3 HEC A 107 -8.892 4.721 5.847 1.00 0.90 H new HETATM 0 HBC2 HEC A 107 -9.500 3.413 4.805 1.00 0.90 H new HETATM 0 HBC1 HEC A 107 -10.107 3.579 6.469 1.00 0.90 H new HETATM 0 HBB3 HEC A 107 0.245 6.372 2.849 1.00 1.33 H new HETATM 0 HBB2 HEC A 107 -1.469 6.831 2.989 1.00 1.33 H new HETATM 0 HBB1 HEC A 107 -0.263 7.548 4.084 1.00 1.33 H new HETATM 0 HBA2 HEC A 107 -0.296 -3.974 -0.653 1.00 1.68 H new HETATM 0 HBA1 HEC A 107 -1.128 -3.672 0.859 1.00 1.68 H new HETATM 0 HAD2 HEC A 107 -6.721 -3.900 0.936 1.00 1.33 H new HETATM 0 HAD1 HEC A 107 -8.358 -3.289 1.074 1.00 1.33 H new HETATM 0 HAA2 HEC A 107 -3.106 -3.149 -1.052 1.00 1.40 H new HETATM 0 HAA1 HEC A 107 -1.650 -2.558 -1.827 1.00 1.40 H new HETATM 0 HHD HEC A 107 -8.299 0.837 4.322 1.00 0.94 H new HETATM 0 HHC HEC A 107 -3.418 4.948 5.258 1.00 0.90 H new HETATM 0 HHB HEC A 107 0.291 1.430 1.293 1.00 1.12 H new HETATM 0 HHA HEC A 107 -4.612 -2.696 0.365 1.00 1.08 H new HETATM 0 H2D HEC A 107 -8.666 -0.062 -1.790 1.00 4.33 H new