USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 ASN : amide:sc= -0.934 K(o=-1.9,f=-0.69) USER MOD Set 1.2: A 24 ASN : amide:sc= -0.972 K(o=-1.9,f=-1.1) USER MOD Single : A 2 SER OG : rot 25:sc= 0.529 USER MOD Single : A 3 SER OG : rot 180:sc= -0.209 USER MOD Single : A 4 LYS NZ :NH3+ 153:sc= -0.536! (180deg=-0.968!) USER MOD Single : A 5 CYS SG : rot 140:sc= -0.82 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 27:sc= 0.106 USER MOD Single : A 17 CYS SG : rot -140:sc= 1.28 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -122:sc= 0 (180deg=-0.031) USER MOD Single : A 42 LYS NZ :NH3+ -161:sc= -0.0031 (180deg=-0.0125) USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.4!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -13.784 -1.516 8.090 1.00 1.41 N ATOM 18 CA SER A 2 -12.363 -1.212 8.196 1.00 0.91 C ATOM 19 C SER A 2 -11.541 -2.429 8.633 1.00 0.75 C ATOM 20 O SER A 2 -12.001 -3.216 9.458 1.00 1.33 O ATOM 21 CB SER A 2 -12.189 -0.055 9.180 1.00 1.29 C ATOM 22 OG SER A 2 -13.190 0.918 8.928 1.00 2.26 O ATOM 0 HA SER A 2 -11.989 -0.929 7.212 1.00 0.91 H new ATOM 0 HB2 SER A 2 -12.265 -0.417 10.205 1.00 1.29 H new ATOM 0 HB3 SER A 2 -11.198 0.387 9.071 1.00 1.29 H new ATOM 0 HG SER A 2 -13.961 0.491 8.500 1.00 2.26 H new ATOM 28 N SER A 3 -10.325 -2.597 8.105 1.00 0.67 N ATOM 29 CA SER A 3 -9.458 -3.720 8.441 1.00 0.53 C ATOM 30 C SER A 3 -7.993 -3.341 8.192 1.00 0.45 C ATOM 31 O SER A 3 -7.717 -2.364 7.492 1.00 0.55 O ATOM 32 CB SER A 3 -9.862 -4.948 7.611 1.00 0.81 C ATOM 33 OG SER A 3 -11.252 -5.205 7.696 1.00 1.79 O ATOM 0 H SER A 3 -9.916 -1.952 7.429 1.00 0.67 H new ATOM 0 HA SER A 3 -9.569 -3.967 9.497 1.00 0.53 H new ATOM 0 HB2 SER A 3 -9.585 -4.790 6.569 1.00 0.81 H new ATOM 0 HB3 SER A 3 -9.309 -5.820 7.959 1.00 0.81 H new ATOM 0 HG SER A 3 -11.473 -5.992 7.155 1.00 1.79 H new ATOM 39 N LYS A 4 -7.051 -4.126 8.733 1.00 0.50 N ATOM 40 CA LYS A 4 -5.643 -4.014 8.367 1.00 0.60 C ATOM 41 C LYS A 4 -5.449 -4.773 7.056 1.00 0.53 C ATOM 42 O LYS A 4 -6.110 -5.781 6.819 1.00 0.93 O ATOM 43 CB LYS A 4 -4.720 -4.603 9.453 1.00 0.97 C ATOM 44 CG LYS A 4 -4.279 -3.552 10.486 1.00 1.37 C ATOM 45 CD LYS A 4 -3.230 -4.142 11.449 1.00 1.92 C ATOM 46 CE LYS A 4 -2.507 -3.083 12.306 1.00 2.46 C ATOM 47 NZ LYS A 4 -1.499 -2.283 11.565 1.00 2.96 N ATOM 0 H LYS A 4 -7.246 -4.847 9.428 1.00 0.50 H new ATOM 0 HA LYS A 4 -5.379 -2.962 8.261 1.00 0.60 H new ATOM 0 HB2 LYS A 4 -5.238 -5.415 9.964 1.00 0.97 H new ATOM 0 HB3 LYS A 4 -3.838 -5.035 8.980 1.00 0.97 H new ATOM 0 HG2 LYS A 4 -3.863 -2.684 9.974 1.00 1.37 H new ATOM 0 HG3 LYS A 4 -5.144 -3.205 11.051 1.00 1.37 H new ATOM 0 HD2 LYS A 4 -3.719 -4.858 12.109 1.00 1.92 H new ATOM 0 HD3 LYS A 4 -2.490 -4.695 10.871 1.00 1.92 H new ATOM 0 HE2 LYS A 4 -3.249 -2.407 12.731 1.00 2.46 H new ATOM 0 HE3 LYS A 4 -2.015 -3.582 13.141 1.00 2.46 H new ATOM 0 HZ1 LYS A 4 -1.395 -1.352 12.016 1.00 2.96 H new ATOM 0 HZ2 LYS A 4 -0.585 -2.778 11.578 1.00 2.96 H new ATOM 0 HZ3 LYS A 4 -1.811 -2.158 10.581 1.00 2.96 H new ATOM 61 N CYS A 5 -4.543 -4.279 6.218 1.00 0.62 N ATOM 62 CA CYS A 5 -4.129 -4.912 4.980 1.00 0.58 C ATOM 63 C CYS A 5 -2.611 -5.002 5.002 1.00 0.51 C ATOM 64 O CYS A 5 -1.919 -3.996 5.160 1.00 0.58 O ATOM 65 CB CYS A 5 -4.610 -4.092 3.791 1.00 0.77 C ATOM 66 SG CYS A 5 -3.810 -4.714 2.306 1.00 1.54 S ATOM 0 H CYS A 5 -4.063 -3.396 6.392 1.00 0.62 H new ATOM 0 HA CYS A 5 -4.561 -5.908 4.886 1.00 0.58 H new ATOM 0 HB2 CYS A 5 -5.693 -4.163 3.695 1.00 0.77 H new ATOM 0 HB3 CYS A 5 -4.372 -3.038 3.936 1.00 0.77 H new ATOM 0 HG CYS A 5 -4.665 -4.729 1.327 1.00 1.54 H new ATOM 72 N TYR A 6 -2.094 -6.220 4.901 1.00 0.48 N ATOM 73 CA TYR A 6 -0.670 -6.473 4.904 1.00 0.51 C ATOM 74 C TYR A 6 -0.249 -6.523 3.446 1.00 0.49 C ATOM 75 O TYR A 6 -0.837 -7.258 2.659 1.00 0.70 O ATOM 76 CB TYR A 6 -0.382 -7.792 5.638 1.00 0.70 C ATOM 77 CG TYR A 6 0.085 -7.672 7.076 1.00 0.90 C ATOM 78 CD1 TYR A 6 -0.273 -6.570 7.880 1.00 1.93 C ATOM 79 CD2 TYR A 6 0.918 -8.674 7.606 1.00 2.21 C ATOM 80 CE1 TYR A 6 0.312 -6.404 9.147 1.00 2.33 C ATOM 81 CE2 TYR A 6 1.509 -8.503 8.868 1.00 2.43 C ATOM 82 CZ TYR A 6 1.207 -7.369 9.639 1.00 1.90 C ATOM 83 OH TYR A 6 1.841 -7.182 10.829 1.00 2.43 O ATOM 0 H TYR A 6 -2.661 -7.063 4.814 1.00 0.48 H new ATOM 0 HA TYR A 6 -0.108 -5.699 5.428 1.00 0.51 H new ATOM 0 HB2 TYR A 6 -1.288 -8.398 5.622 1.00 0.70 H new ATOM 0 HB3 TYR A 6 0.376 -8.338 5.076 1.00 0.70 H new ATOM 0 HD1 TYR A 6 -0.997 -5.853 7.522 1.00 1.93 H new ATOM 0 HD2 TYR A 6 1.103 -9.576 7.041 1.00 2.21 H new ATOM 0 HE1 TYR A 6 0.074 -5.535 9.742 1.00 2.33 H new ATOM 0 HE2 TYR A 6 2.197 -9.245 9.246 1.00 2.43 H new ATOM 0 HH TYR A 6 2.422 -7.949 11.014 1.00 2.43 H new ATOM 93 N ILE A 7 0.761 -5.744 3.072 1.00 0.46 N ATOM 94 CA ILE A 7 1.308 -5.779 1.728 1.00 0.44 C ATOM 95 C ILE A 7 2.804 -6.013 1.904 1.00 0.52 C ATOM 96 O ILE A 7 3.365 -5.655 2.941 1.00 0.64 O ATOM 97 CB ILE A 7 0.940 -4.498 0.942 1.00 0.39 C ATOM 98 CG1 ILE A 7 -0.509 -4.083 1.268 1.00 0.54 C ATOM 99 CG2 ILE A 7 1.073 -4.704 -0.578 1.00 0.36 C ATOM 100 CD1 ILE A 7 -1.072 -3.005 0.339 1.00 0.74 C ATOM 0 H ILE A 7 1.219 -5.075 3.691 1.00 0.46 H new ATOM 0 HA ILE A 7 0.888 -6.578 1.117 1.00 0.44 H new ATOM 0 HB ILE A 7 1.636 -3.715 1.245 1.00 0.39 H new ATOM 0 HG12 ILE A 7 -1.149 -4.964 1.215 1.00 0.54 H new ATOM 0 HG13 ILE A 7 -0.550 -3.720 2.295 1.00 0.54 H new ATOM 0 HG21 ILE A 7 0.806 -3.782 -1.095 1.00 0.36 H new ATOM 0 HG22 ILE A 7 2.102 -4.971 -0.820 1.00 0.36 H new ATOM 0 HG23 ILE A 7 0.406 -5.505 -0.896 1.00 0.36 H new ATOM 0 HD11 ILE A 7 -2.094 -2.768 0.634 1.00 0.74 H new ATOM 0 HD12 ILE A 7 -0.457 -2.108 0.409 1.00 0.74 H new ATOM 0 HD13 ILE A 7 -1.066 -3.370 -0.688 1.00 0.74 H new ATOM 112 N GLN A 8 3.453 -6.666 0.943 1.00 0.56 N ATOM 113 CA GLN A 8 4.901 -6.766 0.914 1.00 0.65 C ATOM 114 C GLN A 8 5.380 -6.335 -0.470 1.00 0.63 C ATOM 115 O GLN A 8 4.660 -6.526 -1.448 1.00 0.65 O ATOM 116 CB GLN A 8 5.319 -8.184 1.318 1.00 0.77 C ATOM 117 CG GLN A 8 6.839 -8.309 1.462 1.00 1.65 C ATOM 118 CD GLN A 8 7.232 -9.544 2.270 1.00 1.55 C ATOM 119 OE1 GLN A 8 6.519 -10.542 2.286 1.00 1.83 O ATOM 120 NE2 GLN A 8 8.354 -9.479 2.981 1.00 2.32 N ATOM 0 H GLN A 8 2.988 -7.137 0.167 1.00 0.56 H new ATOM 0 HA GLN A 8 5.377 -6.101 1.635 1.00 0.65 H new ATOM 0 HB2 GLN A 8 4.841 -8.449 2.261 1.00 0.77 H new ATOM 0 HB3 GLN A 8 4.965 -8.894 0.571 1.00 0.77 H new ATOM 0 HG2 GLN A 8 7.295 -8.361 0.473 1.00 1.65 H new ATOM 0 HG3 GLN A 8 7.233 -7.416 1.948 1.00 1.65 H new ATOM 0 HE21 GLN A 8 8.929 -8.637 2.950 1.00 2.32 H new ATOM 0 HE22 GLN A 8 8.639 -10.271 3.557 1.00 2.32 H new ATOM 129 N VAL A 9 6.556 -5.699 -0.524 1.00 0.65 N ATOM 130 CA VAL A 9 7.183 -5.159 -1.723 1.00 0.67 C ATOM 131 C VAL A 9 8.689 -5.353 -1.565 1.00 0.66 C ATOM 132 O VAL A 9 9.239 -5.022 -0.515 1.00 0.90 O ATOM 133 CB VAL A 9 6.872 -3.655 -1.853 1.00 0.79 C ATOM 134 CG1 VAL A 9 7.803 -2.984 -2.876 1.00 1.83 C ATOM 135 CG2 VAL A 9 5.428 -3.385 -2.286 1.00 2.15 C ATOM 0 H VAL A 9 7.119 -5.542 0.312 1.00 0.65 H new ATOM 0 HA VAL A 9 6.808 -5.664 -2.613 1.00 0.67 H new ATOM 0 HB VAL A 9 7.028 -3.237 -0.858 1.00 0.79 H new ATOM 0 HG11 VAL A 9 7.561 -1.924 -2.947 1.00 1.83 H new ATOM 0 HG12 VAL A 9 8.839 -3.099 -2.556 1.00 1.83 H new ATOM 0 HG13 VAL A 9 7.670 -3.453 -3.851 1.00 1.83 H new ATOM 0 HG21 VAL A 9 5.266 -2.310 -2.361 1.00 2.15 H new ATOM 0 HG22 VAL A 9 5.246 -3.848 -3.256 1.00 2.15 H new ATOM 0 HG23 VAL A 9 4.743 -3.805 -1.550 1.00 2.15 H new ATOM 145 N THR A 10 9.363 -5.834 -2.611 1.00 0.70 N ATOM 146 CA THR A 10 10.809 -5.998 -2.602 1.00 0.80 C ATOM 147 C THR A 10 11.462 -4.710 -3.096 1.00 0.82 C ATOM 148 O THR A 10 11.853 -4.610 -4.256 1.00 0.93 O ATOM 149 CB THR A 10 11.189 -7.238 -3.425 1.00 1.02 C ATOM 150 OG1 THR A 10 10.403 -8.326 -2.980 1.00 2.16 O ATOM 151 CG2 THR A 10 12.668 -7.600 -3.251 1.00 2.54 C ATOM 0 H THR A 10 8.919 -6.119 -3.484 1.00 0.70 H new ATOM 0 HA THR A 10 11.180 -6.172 -1.592 1.00 0.80 H new ATOM 0 HB THR A 10 11.012 -7.021 -4.478 1.00 1.02 H new ATOM 0 HG1 THR A 10 10.631 -9.127 -3.496 1.00 2.16 H new ATOM 0 HG21 THR A 10 12.899 -8.482 -3.848 1.00 2.54 H new ATOM 0 HG22 THR A 10 13.288 -6.766 -3.580 1.00 2.54 H new ATOM 0 HG23 THR A 10 12.870 -7.810 -2.201 1.00 2.54 H new ATOM 218 N SER A 16 13.129 7.572 -2.077 1.00 1.29 N ATOM 219 CA SER A 16 11.817 8.118 -2.395 1.00 1.56 C ATOM 220 C SER A 16 11.044 7.150 -3.288 1.00 1.70 C ATOM 221 O SER A 16 11.510 6.766 -4.354 1.00 3.22 O ATOM 222 CB SER A 16 11.874 9.518 -3.013 1.00 2.01 C ATOM 223 OG SER A 16 12.620 10.383 -2.177 1.00 1.69 O ATOM 0 HA SER A 16 11.287 8.234 -1.450 1.00 1.56 H new ATOM 0 HB2 SER A 16 12.330 9.470 -4.002 1.00 2.01 H new ATOM 0 HB3 SER A 16 10.865 9.908 -3.146 1.00 2.01 H new ATOM 0 HG SER A 16 13.262 9.859 -1.653 1.00 1.69 H new ATOM 229 N CYS A 17 9.855 6.761 -2.825 1.00 1.03 N ATOM 230 CA CYS A 17 8.957 5.824 -3.490 1.00 0.93 C ATOM 231 C CYS A 17 7.699 5.772 -2.635 1.00 0.81 C ATOM 232 O CYS A 17 6.620 6.204 -3.045 1.00 0.84 O ATOM 233 CB CYS A 17 9.601 4.425 -3.598 1.00 0.90 C ATOM 234 SG CYS A 17 10.027 4.054 -5.315 1.00 2.22 S ATOM 0 H CYS A 17 9.479 7.105 -1.941 1.00 1.03 H new ATOM 0 HA CYS A 17 8.735 6.144 -4.508 1.00 0.93 H new ATOM 0 HB2 CYS A 17 10.496 4.382 -2.978 1.00 0.90 H new ATOM 0 HB3 CYS A 17 8.912 3.671 -3.217 1.00 0.90 H new ATOM 0 HG CYS A 17 9.753 2.809 -5.571 1.00 2.22 H new ATOM 240 N VAL A 18 7.879 5.307 -1.395 1.00 0.70 N ATOM 241 CA VAL A 18 6.790 5.153 -0.441 1.00 0.60 C ATOM 242 C VAL A 18 6.097 6.495 -0.220 1.00 0.56 C ATOM 243 O VAL A 18 4.878 6.546 -0.204 1.00 0.57 O ATOM 244 CB VAL A 18 7.267 4.501 0.868 1.00 0.61 C ATOM 245 CG1 VAL A 18 6.066 4.223 1.780 1.00 1.89 C ATOM 246 CG2 VAL A 18 7.968 3.171 0.575 1.00 1.88 C ATOM 0 H VAL A 18 8.789 5.027 -1.029 1.00 0.70 H new ATOM 0 HA VAL A 18 6.052 4.467 -0.857 1.00 0.60 H new ATOM 0 HB VAL A 18 7.961 5.184 1.357 1.00 0.61 H new ATOM 0 HG11 VAL A 18 6.411 3.761 2.705 1.00 1.89 H new ATOM 0 HG12 VAL A 18 5.559 5.160 2.009 1.00 1.89 H new ATOM 0 HG13 VAL A 18 5.374 3.550 1.275 1.00 1.89 H new ATOM 0 HG21 VAL A 18 8.300 2.721 1.511 1.00 1.88 H new ATOM 0 HG22 VAL A 18 7.274 2.496 0.074 1.00 1.88 H new ATOM 0 HG23 VAL A 18 8.830 3.348 -0.069 1.00 1.88 H new ATOM 256 N ALA A 19 6.862 7.584 -0.143 1.00 0.69 N ATOM 257 CA ALA A 19 6.347 8.945 -0.044 1.00 0.80 C ATOM 258 C ALA A 19 5.205 9.232 -1.031 1.00 0.70 C ATOM 259 O ALA A 19 4.246 9.928 -0.692 1.00 0.77 O ATOM 260 CB ALA A 19 7.499 9.929 -0.266 1.00 1.02 C ATOM 0 H ALA A 19 7.881 7.541 -0.148 1.00 0.69 H new ATOM 0 HA ALA A 19 5.925 9.066 0.954 1.00 0.80 H new ATOM 0 HB1 ALA A 19 7.124 10.950 -0.194 1.00 1.02 H new ATOM 0 HB2 ALA A 19 8.265 9.769 0.493 1.00 1.02 H new ATOM 0 HB3 ALA A 19 7.929 9.769 -1.255 1.00 1.02 H new ATOM 266 N ASN A 20 5.306 8.724 -2.265 1.00 0.68 N ATOM 267 CA ASN A 20 4.260 8.930 -3.259 1.00 0.67 C ATOM 268 C ASN A 20 3.028 8.098 -2.899 1.00 0.58 C ATOM 269 O ASN A 20 1.927 8.628 -2.757 1.00 0.58 O ATOM 270 CB ASN A 20 4.789 8.595 -4.657 1.00 0.79 C ATOM 271 CG ASN A 20 3.803 9.014 -5.742 1.00 0.81 C ATOM 272 OD1 ASN A 20 3.196 10.076 -5.669 1.00 1.17 O ATOM 273 ND2 ASN A 20 3.643 8.193 -6.774 1.00 1.21 N ATOM 0 H ASN A 20 6.098 8.171 -2.592 1.00 0.68 H new ATOM 0 HA ASN A 20 3.961 9.978 -3.264 1.00 0.67 H new ATOM 0 HB2 ASN A 20 5.743 9.098 -4.817 1.00 0.79 H new ATOM 0 HB3 ASN A 20 4.978 7.524 -4.729 1.00 0.79 H new ATOM 0 HD21 ASN A 20 3.003 8.441 -7.529 1.00 1.21 H new ATOM 0 HD22 ASN A 20 4.160 7.314 -6.812 1.00 1.21 H new ATOM 280 N ILE A 21 3.234 6.786 -2.721 1.00 0.55 N ATOM 281 CA ILE A 21 2.200 5.846 -2.296 1.00 0.53 C ATOM 282 C ILE A 21 1.429 6.418 -1.103 1.00 0.52 C ATOM 283 O ILE A 21 0.198 6.421 -1.121 1.00 0.58 O ATOM 284 CB ILE A 21 2.830 4.479 -1.954 1.00 0.62 C ATOM 285 CG1 ILE A 21 3.335 3.757 -3.214 1.00 0.72 C ATOM 286 CG2 ILE A 21 1.816 3.594 -1.230 1.00 0.77 C ATOM 287 CD1 ILE A 21 4.334 2.631 -2.916 1.00 1.95 C ATOM 0 H ILE A 21 4.141 6.345 -2.872 1.00 0.55 H new ATOM 0 HA ILE A 21 1.495 5.695 -3.113 1.00 0.53 H new ATOM 0 HB ILE A 21 3.684 4.666 -1.302 1.00 0.62 H new ATOM 0 HG12 ILE A 21 2.482 3.342 -3.752 1.00 0.72 H new ATOM 0 HG13 ILE A 21 3.806 4.484 -3.875 1.00 0.72 H new ATOM 0 HG21 ILE A 21 2.274 2.633 -0.995 1.00 0.77 H new ATOM 0 HG22 ILE A 21 1.501 4.081 -0.307 1.00 0.77 H new ATOM 0 HG23 ILE A 21 0.949 3.435 -1.871 1.00 0.77 H new ATOM 0 HD11 ILE A 21 4.648 2.166 -3.851 1.00 1.95 H new ATOM 0 HD12 ILE A 21 5.205 3.043 -2.405 1.00 1.95 H new ATOM 0 HD13 ILE A 21 3.860 1.883 -2.280 1.00 1.95 H new ATOM 299 N GLU A 22 2.159 6.896 -0.088 1.00 0.52 N ATOM 300 CA GLU A 22 1.643 7.509 1.114 1.00 0.61 C ATOM 301 C GLU A 22 0.499 8.450 0.765 1.00 0.57 C ATOM 302 O GLU A 22 -0.653 8.145 1.027 1.00 0.60 O ATOM 303 CB GLU A 22 2.755 8.246 1.881 1.00 0.81 C ATOM 304 CG GLU A 22 3.426 7.384 2.951 1.00 0.94 C ATOM 305 CD GLU A 22 4.486 8.183 3.700 1.00 1.28 C ATOM 306 OE1 GLU A 22 4.071 8.997 4.560 1.00 2.36 O ATOM 307 OE2 GLU A 22 5.677 7.995 3.380 1.00 1.84 O ATOM 0 H GLU A 22 3.178 6.857 -0.096 1.00 0.52 H new ATOM 0 HA GLU A 22 1.261 6.726 1.769 1.00 0.61 H new ATOM 0 HB2 GLU A 22 3.510 8.587 1.173 1.00 0.81 H new ATOM 0 HB3 GLU A 22 2.335 9.135 2.351 1.00 0.81 H new ATOM 0 HG2 GLU A 22 2.677 7.018 3.653 1.00 0.94 H new ATOM 0 HG3 GLU A 22 3.883 6.510 2.487 1.00 0.94 H new ATOM 314 N ARG A 23 0.840 9.591 0.177 1.00 0.65 N ATOM 315 CA ARG A 23 -0.058 10.620 -0.315 1.00 0.74 C ATOM 316 C ARG A 23 -1.166 10.037 -1.188 1.00 0.72 C ATOM 317 O ARG A 23 -2.325 10.412 -1.015 1.00 0.96 O ATOM 318 CB ARG A 23 0.739 11.660 -1.114 1.00 0.91 C ATOM 319 CG ARG A 23 1.594 12.579 -0.232 1.00 1.30 C ATOM 320 CD ARG A 23 0.724 13.472 0.674 1.00 1.90 C ATOM 321 NE ARG A 23 1.276 14.831 0.810 1.00 2.63 N ATOM 322 CZ ARG A 23 1.171 15.795 -0.122 1.00 2.94 C ATOM 323 NH1 ARG A 23 0.594 15.519 -1.297 1.00 3.23 N ATOM 324 NH2 ARG A 23 1.642 17.023 0.121 1.00 3.96 N ATOM 0 H ARG A 23 1.818 9.835 0.023 1.00 0.65 H new ATOM 0 HA ARG A 23 -0.529 11.092 0.547 1.00 0.74 H new ATOM 0 HB2 ARG A 23 1.386 11.145 -1.824 1.00 0.91 H new ATOM 0 HB3 ARG A 23 0.047 12.268 -1.697 1.00 0.91 H new ATOM 0 HG2 ARG A 23 2.260 11.975 0.384 1.00 1.30 H new ATOM 0 HG3 ARG A 23 2.224 13.206 -0.863 1.00 1.30 H new ATOM 0 HD2 ARG A 23 -0.284 13.530 0.264 1.00 1.90 H new ATOM 0 HD3 ARG A 23 0.641 13.015 1.660 1.00 1.90 H new ATOM 0 HE ARG A 23 1.773 15.057 1.672 1.00 2.63 H new ATOM 0 HH11 ARG A 23 0.237 14.582 -1.482 1.00 3.23 H new ATOM 0 HH12 ARG A 23 0.511 16.246 -2.008 1.00 3.23 H new ATOM 0 HH21 ARG A 23 2.083 17.232 1.017 1.00 3.96 H new ATOM 0 HH22 ARG A 23 1.560 17.750 -0.589 1.00 3.96 H new ATOM 338 N ASN A 24 -0.814 9.162 -2.137 1.00 0.61 N ATOM 339 CA ASN A 24 -1.770 8.630 -3.098 1.00 0.66 C ATOM 340 C ASN A 24 -2.911 7.962 -2.344 1.00 0.73 C ATOM 341 O ASN A 24 -4.062 8.380 -2.432 1.00 0.89 O ATOM 342 CB ASN A 24 -1.093 7.616 -4.035 1.00 0.64 C ATOM 343 CG ASN A 24 -0.083 8.245 -4.985 1.00 1.81 C ATOM 344 OD1 ASN A 24 -0.123 9.439 -5.262 1.00 2.83 O ATOM 345 ND2 ASN A 24 0.834 7.432 -5.499 1.00 2.39 N ATOM 0 H ASN A 24 0.136 8.809 -2.255 1.00 0.61 H new ATOM 0 HA ASN A 24 -2.157 9.447 -3.707 1.00 0.66 H new ATOM 0 HB2 ASN A 24 -0.591 6.858 -3.434 1.00 0.64 H new ATOM 0 HB3 ASN A 24 -1.859 7.105 -4.618 1.00 0.64 H new ATOM 0 HD21 ASN A 24 1.534 7.796 -6.146 1.00 2.39 H new ATOM 0 HD22 ASN A 24 0.838 6.444 -5.247 1.00 2.39 H new ATOM 352 N LEU A 25 -2.581 6.928 -1.576 1.00 0.71 N ATOM 353 CA LEU A 25 -3.600 6.135 -0.921 1.00 0.86 C ATOM 354 C LEU A 25 -4.102 6.847 0.330 1.00 0.69 C ATOM 355 O LEU A 25 -5.251 6.651 0.704 1.00 0.95 O ATOM 356 CB LEU A 25 -3.074 4.733 -0.640 1.00 1.12 C ATOM 357 CG LEU A 25 -3.230 3.776 -1.830 1.00 1.59 C ATOM 358 CD1 LEU A 25 -2.294 4.126 -2.988 1.00 2.20 C ATOM 359 CD2 LEU A 25 -2.962 2.333 -1.396 1.00 1.72 C ATOM 0 H LEU A 25 -1.623 6.626 -1.397 1.00 0.71 H new ATOM 0 HA LEU A 25 -4.460 6.022 -1.581 1.00 0.86 H new ATOM 0 HB2 LEU A 25 -2.020 4.795 -0.369 1.00 1.12 H new ATOM 0 HB3 LEU A 25 -3.601 4.321 0.221 1.00 1.12 H new ATOM 0 HG LEU A 25 -4.257 3.881 -2.179 1.00 1.59 H new ATOM 0 HD11 LEU A 25 -2.444 3.419 -3.804 1.00 2.20 H new ATOM 0 HD12 LEU A 25 -2.510 5.135 -3.338 1.00 2.20 H new ATOM 0 HD13 LEU A 25 -1.260 4.074 -2.648 1.00 2.20 H new ATOM 0 HD21 LEU A 25 -3.077 1.668 -2.252 1.00 1.72 H new ATOM 0 HD22 LEU A 25 -1.947 2.252 -1.008 1.00 1.72 H new ATOM 0 HD23 LEU A 25 -3.671 2.049 -0.618 1.00 1.72 H new ATOM 371 N ARG A 26 -3.314 7.743 0.937 1.00 0.54 N ATOM 372 CA ARG A 26 -3.806 8.625 1.988 1.00 0.61 C ATOM 373 C ARG A 26 -5.101 9.331 1.549 1.00 1.24 C ATOM 374 O ARG A 26 -5.914 9.708 2.389 1.00 1.71 O ATOM 375 CB ARG A 26 -2.765 9.655 2.453 1.00 0.67 C ATOM 376 CG ARG A 26 -1.973 9.079 3.634 1.00 2.56 C ATOM 377 CD ARG A 26 -0.757 9.936 4.004 1.00 3.77 C ATOM 378 NE ARG A 26 -0.368 9.741 5.414 1.00 5.25 N ATOM 379 CZ ARG A 26 0.861 9.929 5.928 1.00 6.84 C ATOM 380 NH1 ARG A 26 1.883 10.188 5.113 1.00 7.39 N ATOM 381 NH2 ARG A 26 1.050 9.875 7.251 1.00 8.15 N ATOM 0 H ARG A 26 -2.327 7.872 0.712 1.00 0.54 H new ATOM 0 HA ARG A 26 -4.018 7.986 2.846 1.00 0.61 H new ATOM 0 HB2 ARG A 26 -2.090 9.902 1.634 1.00 0.67 H new ATOM 0 HB3 ARG A 26 -3.259 10.580 2.749 1.00 0.67 H new ATOM 0 HG2 ARG A 26 -2.630 8.994 4.500 1.00 2.56 H new ATOM 0 HG3 ARG A 26 -1.640 8.071 3.386 1.00 2.56 H new ATOM 0 HD2 ARG A 26 0.081 9.680 3.355 1.00 3.77 H new ATOM 0 HD3 ARG A 26 -0.985 10.988 3.830 1.00 3.77 H new ATOM 0 HE ARG A 26 -1.098 9.436 6.058 1.00 5.25 H new ATOM 0 HH11 ARG A 26 1.731 10.243 4.106 1.00 7.39 H new ATOM 0 HH12 ARG A 26 2.817 10.332 5.496 1.00 7.39 H new ATOM 0 HH21 ARG A 26 0.262 9.691 7.872 1.00 8.15 H new ATOM 0 HH22 ARG A 26 1.982 10.018 7.639 1.00 8.15 H new ATOM 395 N ARG A 27 -5.262 9.546 0.235 1.00 1.51 N ATOM 396 CA ARG A 27 -6.408 10.206 -0.372 1.00 2.22 C ATOM 397 C ARG A 27 -7.467 9.226 -0.906 1.00 1.70 C ATOM 398 O ARG A 27 -8.527 9.688 -1.324 1.00 2.53 O ATOM 399 CB ARG A 27 -5.897 11.141 -1.478 1.00 3.16 C ATOM 400 CG ARG A 27 -5.100 12.324 -0.899 1.00 3.63 C ATOM 401 CD ARG A 27 -6.008 13.535 -0.653 1.00 4.14 C ATOM 402 NE ARG A 27 -6.421 14.139 -1.930 1.00 4.76 N ATOM 403 CZ ARG A 27 -7.347 15.099 -2.082 1.00 5.45 C ATOM 404 NH1 ARG A 27 -8.005 15.567 -1.015 1.00 5.61 N ATOM 405 NH2 ARG A 27 -7.603 15.589 -3.300 1.00 6.47 N ATOM 0 H ARG A 27 -4.568 9.251 -0.452 1.00 1.51 H new ATOM 0 HA ARG A 27 -6.921 10.778 0.401 1.00 2.22 H new ATOM 0 HB2 ARG A 27 -5.266 10.579 -2.167 1.00 3.16 H new ATOM 0 HB3 ARG A 27 -6.741 11.518 -2.055 1.00 3.16 H new ATOM 0 HG2 ARG A 27 -4.627 12.025 0.036 1.00 3.63 H new ATOM 0 HG3 ARG A 27 -4.300 12.599 -1.587 1.00 3.63 H new ATOM 0 HD2 ARG A 27 -6.888 13.228 -0.088 1.00 4.14 H new ATOM 0 HD3 ARG A 27 -5.482 14.274 -0.048 1.00 4.14 H new ATOM 0 HE ARG A 27 -5.963 13.798 -2.775 1.00 4.76 H new ATOM 0 HH11 ARG A 27 -7.803 15.194 -0.087 1.00 5.61 H new ATOM 0 HH12 ARG A 27 -8.709 16.296 -1.129 1.00 5.61 H new ATOM 0 HH21 ARG A 27 -7.095 15.233 -4.110 1.00 6.47 H new ATOM 0 HH22 ARG A 27 -8.306 16.318 -3.419 1.00 6.47 H new ATOM 419 N GLU A 28 -7.221 7.908 -0.935 1.00 0.73 N ATOM 420 CA GLU A 28 -8.220 6.958 -1.425 1.00 0.80 C ATOM 421 C GLU A 28 -9.424 6.906 -0.479 1.00 1.16 C ATOM 422 O GLU A 28 -9.269 6.626 0.713 1.00 1.92 O ATOM 423 CB GLU A 28 -7.651 5.535 -1.582 1.00 0.91 C ATOM 424 CG GLU A 28 -7.158 5.186 -2.994 1.00 1.22 C ATOM 425 CD GLU A 28 -7.280 3.682 -3.228 1.00 1.69 C ATOM 426 OE1 GLU A 28 -6.487 2.939 -2.611 1.00 2.57 O ATOM 427 OE2 GLU A 28 -8.217 3.295 -3.960 1.00 2.33 O ATOM 0 H GLU A 28 -6.347 7.483 -0.627 1.00 0.73 H new ATOM 0 HA GLU A 28 -8.528 7.314 -2.408 1.00 0.80 H new ATOM 0 HB2 GLU A 28 -6.823 5.412 -0.884 1.00 0.91 H new ATOM 0 HB3 GLU A 28 -8.420 4.818 -1.294 1.00 0.91 H new ATOM 0 HG2 GLU A 28 -7.743 5.727 -3.737 1.00 1.22 H new ATOM 0 HG3 GLU A 28 -6.121 5.499 -3.115 1.00 1.22 H new ATOM 434 N GLU A 29 -10.628 7.091 -1.032 1.00 1.44 N ATOM 435 CA GLU A 29 -11.896 6.928 -0.335 1.00 1.75 C ATOM 436 C GLU A 29 -12.072 5.480 0.123 1.00 1.27 C ATOM 437 O GLU A 29 -12.767 4.686 -0.507 1.00 1.27 O ATOM 438 CB GLU A 29 -13.062 7.352 -1.236 1.00 2.51 C ATOM 439 CG GLU A 29 -13.009 8.843 -1.584 1.00 3.22 C ATOM 440 CD GLU A 29 -14.369 9.316 -2.078 1.00 3.82 C ATOM 441 OE1 GLU A 29 -14.640 9.106 -3.279 1.00 3.79 O ATOM 442 OE2 GLU A 29 -15.117 9.855 -1.237 1.00 4.86 O ATOM 0 H GLU A 29 -10.744 7.367 -2.007 1.00 1.44 H new ATOM 0 HA GLU A 29 -11.891 7.570 0.546 1.00 1.75 H new ATOM 0 HB2 GLU A 29 -13.042 6.765 -2.154 1.00 2.51 H new ATOM 0 HB3 GLU A 29 -14.005 7.130 -0.736 1.00 2.51 H new ATOM 0 HG2 GLU A 29 -12.712 9.418 -0.707 1.00 3.22 H new ATOM 0 HG3 GLU A 29 -12.254 9.018 -2.351 1.00 3.22 H new ATOM 449 N GLY A 30 -11.436 5.146 1.243 1.00 1.16 N ATOM 450 CA GLY A 30 -11.483 3.817 1.815 1.00 0.80 C ATOM 451 C GLY A 30 -10.215 3.462 2.582 1.00 0.68 C ATOM 452 O GLY A 30 -10.260 2.580 3.442 1.00 0.88 O ATOM 0 H GLY A 30 -10.869 5.803 1.779 1.00 1.16 H new ATOM 0 HA2 GLY A 30 -12.340 3.744 2.484 1.00 0.80 H new ATOM 0 HA3 GLY A 30 -11.637 3.088 1.019 1.00 0.80 H new ATOM 456 N ILE A 31 -9.094 4.122 2.278 1.00 0.50 N ATOM 457 CA ILE A 31 -7.855 3.917 3.005 1.00 0.48 C ATOM 458 C ILE A 31 -7.845 4.852 4.217 1.00 0.63 C ATOM 459 O ILE A 31 -7.985 6.063 4.076 1.00 1.04 O ATOM 460 CB ILE A 31 -6.660 4.153 2.070 1.00 0.48 C ATOM 461 CG1 ILE A 31 -6.590 3.100 0.944 1.00 0.58 C ATOM 462 CG2 ILE A 31 -5.352 4.206 2.875 1.00 0.72 C ATOM 463 CD1 ILE A 31 -6.087 1.745 1.429 1.00 1.56 C ATOM 0 H ILE A 31 -9.028 4.807 1.525 1.00 0.50 H new ATOM 0 HA ILE A 31 -7.777 2.891 3.365 1.00 0.48 H new ATOM 0 HB ILE A 31 -6.802 5.118 1.584 1.00 0.48 H new ATOM 0 HG12 ILE A 31 -7.580 2.978 0.505 1.00 0.58 H new ATOM 0 HG13 ILE A 31 -5.934 3.464 0.154 1.00 0.58 H new ATOM 0 HG21 ILE A 31 -4.515 4.374 2.198 1.00 0.72 H new ATOM 0 HG22 ILE A 31 -5.403 5.020 3.598 1.00 0.72 H new ATOM 0 HG23 ILE A 31 -5.210 3.262 3.401 1.00 0.72 H new ATOM 0 HD11 ILE A 31 -6.060 1.046 0.593 1.00 1.56 H new ATOM 0 HD12 ILE A 31 -5.084 1.856 1.842 1.00 1.56 H new ATOM 0 HD13 ILE A 31 -6.757 1.363 2.199 1.00 1.56 H new ATOM 475 N TYR A 32 -7.682 4.282 5.414 1.00 0.41 N ATOM 476 CA TYR A 32 -7.579 5.025 6.664 1.00 0.51 C ATOM 477 C TYR A 32 -6.114 5.243 7.035 1.00 0.53 C ATOM 478 O TYR A 32 -5.796 6.183 7.761 1.00 0.73 O ATOM 479 CB TYR A 32 -8.303 4.274 7.789 1.00 0.60 C ATOM 480 CG TYR A 32 -9.805 4.494 7.844 1.00 0.71 C ATOM 481 CD1 TYR A 32 -10.614 4.208 6.727 1.00 1.60 C ATOM 482 CD2 TYR A 32 -10.396 5.010 9.014 1.00 2.00 C ATOM 483 CE1 TYR A 32 -11.994 4.470 6.767 1.00 1.68 C ATOM 484 CE2 TYR A 32 -11.781 5.236 9.066 1.00 2.10 C ATOM 485 CZ TYR A 32 -12.578 4.984 7.937 1.00 1.10 C ATOM 486 OH TYR A 32 -13.917 5.226 7.992 1.00 1.35 O ATOM 0 H TYR A 32 -7.617 3.272 5.539 1.00 0.41 H new ATOM 0 HA TYR A 32 -8.052 5.998 6.529 1.00 0.51 H new ATOM 0 HB2 TYR A 32 -8.111 3.207 7.675 1.00 0.60 H new ATOM 0 HB3 TYR A 32 -7.871 4.576 8.743 1.00 0.60 H new ATOM 0 HD1 TYR A 32 -10.172 3.786 5.837 1.00 1.60 H new ATOM 0 HD2 TYR A 32 -9.782 5.233 9.874 1.00 2.00 H new ATOM 0 HE1 TYR A 32 -12.606 4.276 5.898 1.00 1.68 H new ATOM 0 HE2 TYR A 32 -12.234 5.604 9.975 1.00 2.10 H new ATOM 0 HH TYR A 32 -14.150 5.579 8.876 1.00 1.35 H new ATOM 496 N SER A 33 -5.216 4.356 6.596 1.00 0.44 N ATOM 497 CA SER A 33 -3.791 4.518 6.829 1.00 0.54 C ATOM 498 C SER A 33 -3.042 3.754 5.747 1.00 0.57 C ATOM 499 O SER A 33 -3.482 2.685 5.340 1.00 0.60 O ATOM 500 CB SER A 33 -3.413 4.023 8.233 1.00 0.56 C ATOM 501 OG SER A 33 -2.504 4.921 8.835 1.00 0.81 O ATOM 0 H SER A 33 -5.461 3.515 6.074 1.00 0.44 H new ATOM 0 HA SER A 33 -3.518 5.572 6.781 1.00 0.54 H new ATOM 0 HB2 SER A 33 -4.308 3.932 8.848 1.00 0.56 H new ATOM 0 HB3 SER A 33 -2.968 3.030 8.170 1.00 0.56 H new ATOM 0 HG SER A 33 -2.270 4.598 9.730 1.00 0.81 H new ATOM 507 N ILE A 34 -1.944 4.321 5.262 1.00 0.78 N ATOM 508 CA ILE A 34 -1.119 3.753 4.204 1.00 0.97 C ATOM 509 C ILE A 34 0.124 3.034 4.757 1.00 0.74 C ATOM 510 O ILE A 34 0.383 3.063 5.957 1.00 0.70 O ATOM 511 CB ILE A 34 -0.785 4.898 3.243 1.00 1.51 C ATOM 512 CG1 ILE A 34 -0.215 4.445 1.890 1.00 3.84 C ATOM 513 CG2 ILE A 34 0.166 5.887 3.933 1.00 1.63 C ATOM 514 CD1 ILE A 34 -0.934 3.240 1.272 1.00 5.71 C ATOM 0 H ILE A 34 -1.593 5.215 5.605 1.00 0.78 H new ATOM 0 HA ILE A 34 -1.656 2.970 3.669 1.00 0.97 H new ATOM 0 HB ILE A 34 -1.730 5.386 3.003 1.00 1.51 H new ATOM 0 HG12 ILE A 34 -0.264 5.280 1.191 1.00 3.84 H new ATOM 0 HG13 ILE A 34 0.839 4.198 2.018 1.00 3.84 H new ATOM 0 HG21 ILE A 34 0.403 6.701 3.249 1.00 1.63 H new ATOM 0 HG22 ILE A 34 -0.313 6.291 4.825 1.00 1.63 H new ATOM 0 HG23 ILE A 34 1.084 5.372 4.216 1.00 1.63 H new ATOM 0 HD11 ILE A 34 -0.468 2.987 0.320 1.00 5.71 H new ATOM 0 HD12 ILE A 34 -0.863 2.388 1.948 1.00 5.71 H new ATOM 0 HD13 ILE A 34 -1.983 3.487 1.108 1.00 5.71 H new ATOM 526 N LEU A 35 0.896 2.400 3.870 1.00 0.76 N ATOM 527 CA LEU A 35 1.971 1.488 4.173 1.00 0.70 C ATOM 528 C LEU A 35 3.251 2.208 4.536 1.00 0.66 C ATOM 529 O LEU A 35 3.709 3.091 3.815 1.00 0.85 O ATOM 530 CB LEU A 35 2.239 0.547 2.994 1.00 0.80 C ATOM 531 CG LEU A 35 2.433 1.155 1.588 1.00 0.83 C ATOM 532 CD1 LEU A 35 3.900 1.095 1.148 1.00 1.56 C ATOM 533 CD2 LEU A 35 1.604 0.352 0.573 1.00 1.95 C ATOM 0 H LEU A 35 0.769 2.526 2.866 1.00 0.76 H new ATOM 0 HA LEU A 35 1.649 0.910 5.039 1.00 0.70 H new ATOM 0 HB2 LEU A 35 3.132 -0.032 3.230 1.00 0.80 H new ATOM 0 HB3 LEU A 35 1.409 -0.157 2.938 1.00 0.80 H new ATOM 0 HG LEU A 35 2.115 2.197 1.628 1.00 0.83 H new ATOM 0 HD11 LEU A 35 4.000 1.531 0.154 1.00 1.56 H new ATOM 0 HD12 LEU A 35 4.515 1.654 1.853 1.00 1.56 H new ATOM 0 HD13 LEU A 35 4.230 0.057 1.123 1.00 1.56 H new ATOM 0 HD21 LEU A 35 1.737 0.776 -0.422 1.00 1.95 H new ATOM 0 HD22 LEU A 35 1.936 -0.686 0.572 1.00 1.95 H new ATOM 0 HD23 LEU A 35 0.550 0.395 0.848 1.00 1.95 H new ATOM 545 N VAL A 36 3.827 1.789 5.662 1.00 0.50 N ATOM 546 CA VAL A 36 5.009 2.394 6.219 1.00 0.38 C ATOM 547 C VAL A 36 5.750 1.433 7.158 1.00 0.34 C ATOM 548 O VAL A 36 5.790 1.636 8.366 1.00 0.59 O ATOM 549 CB VAL A 36 4.597 3.732 6.861 1.00 0.53 C ATOM 550 CG1 VAL A 36 3.525 3.542 7.950 1.00 0.61 C ATOM 551 CG2 VAL A 36 5.814 4.517 7.359 1.00 0.70 C ATOM 0 H VAL A 36 3.471 1.007 6.212 1.00 0.50 H new ATOM 0 HA VAL A 36 5.742 2.609 5.442 1.00 0.38 H new ATOM 0 HB VAL A 36 4.134 4.338 6.083 1.00 0.53 H new ATOM 0 HG11 VAL A 36 3.264 4.511 8.376 1.00 0.61 H new ATOM 0 HG12 VAL A 36 2.637 3.087 7.511 1.00 0.61 H new ATOM 0 HG13 VAL A 36 3.914 2.893 8.735 1.00 0.61 H new ATOM 0 HG21 VAL A 36 5.484 5.455 7.806 1.00 0.70 H new ATOM 0 HG22 VAL A 36 6.347 3.927 8.105 1.00 0.70 H new ATOM 0 HG23 VAL A 36 6.479 4.728 6.521 1.00 0.70 H new ATOM 561 N ALA A 37 6.399 0.398 6.617 1.00 0.35 N ATOM 562 CA ALA A 37 7.388 -0.350 7.385 1.00 0.36 C ATOM 563 C ALA A 37 8.696 -0.442 6.599 1.00 0.41 C ATOM 564 O ALA A 37 9.392 -1.460 6.618 1.00 0.49 O ATOM 565 CB ALA A 37 6.808 -1.682 7.870 1.00 0.36 C ATOM 0 H ALA A 37 6.258 0.065 5.663 1.00 0.35 H new ATOM 0 HA ALA A 37 7.643 0.179 8.303 1.00 0.36 H new ATOM 0 HB1 ALA A 37 7.564 -2.222 8.440 1.00 0.36 H new ATOM 0 HB2 ALA A 37 5.942 -1.492 8.504 1.00 0.36 H new ATOM 0 HB3 ALA A 37 6.505 -2.281 7.011 1.00 0.36 H new ATOM 571 N LEU A 38 9.062 0.686 5.979 1.00 0.46 N ATOM 572 CA LEU A 38 10.372 0.930 5.382 1.00 0.56 C ATOM 573 C LEU A 38 11.469 0.591 6.395 1.00 0.69 C ATOM 574 O LEU A 38 12.495 0.033 6.018 1.00 0.79 O ATOM 575 CB LEU A 38 10.428 2.394 4.903 1.00 0.66 C ATOM 576 CG LEU A 38 11.565 2.716 3.914 1.00 0.73 C ATOM 577 CD1 LEU A 38 11.220 3.993 3.134 1.00 1.22 C ATOM 578 CD2 LEU A 38 12.925 2.936 4.592 1.00 1.36 C ATOM 0 H LEU A 38 8.429 1.479 5.878 1.00 0.46 H new ATOM 0 HA LEU A 38 10.537 0.290 4.515 1.00 0.56 H new ATOM 0 HB2 LEU A 38 9.477 2.642 4.432 1.00 0.66 H new ATOM 0 HB3 LEU A 38 10.531 3.041 5.774 1.00 0.66 H new ATOM 0 HG LEU A 38 11.652 1.847 3.261 1.00 0.73 H new ATOM 0 HD11 LEU A 38 12.024 4.221 2.435 1.00 1.22 H new ATOM 0 HD12 LEU A 38 10.292 3.843 2.583 1.00 1.22 H new ATOM 0 HD13 LEU A 38 11.099 4.823 3.830 1.00 1.22 H new ATOM 0 HD21 LEU A 38 13.677 3.158 3.835 1.00 1.36 H new ATOM 0 HD22 LEU A 38 12.853 3.771 5.289 1.00 1.36 H new ATOM 0 HD23 LEU A 38 13.211 2.035 5.134 1.00 1.36 H new ATOM 590 N MET A 39 11.201 0.869 7.682 1.00 0.74 N ATOM 591 CA MET A 39 12.022 0.515 8.839 1.00 0.93 C ATOM 592 C MET A 39 12.745 -0.827 8.682 1.00 0.91 C ATOM 593 O MET A 39 13.907 -0.949 9.059 1.00 1.08 O ATOM 594 CB MET A 39 11.168 0.568 10.122 1.00 1.01 C ATOM 595 CG MET A 39 10.168 -0.591 10.279 1.00 1.95 C ATOM 596 SD MET A 39 9.121 -0.571 11.760 1.00 3.12 S ATOM 597 CE MET A 39 8.036 0.839 11.440 1.00 4.08 C ATOM 0 H MET A 39 10.357 1.375 7.952 1.00 0.74 H new ATOM 0 HA MET A 39 12.818 1.256 8.915 1.00 0.93 H new ATOM 0 HB2 MET A 39 11.834 0.574 10.985 1.00 1.01 H new ATOM 0 HB3 MET A 39 10.618 1.509 10.137 1.00 1.01 H new ATOM 0 HG2 MET A 39 9.519 -0.601 9.404 1.00 1.95 H new ATOM 0 HG3 MET A 39 10.728 -1.526 10.271 1.00 1.95 H new ATOM 0 HE1 MET A 39 8.136 1.565 12.246 1.00 4.08 H new ATOM 0 HE2 MET A 39 8.315 1.305 10.495 1.00 4.08 H new ATOM 0 HE3 MET A 39 7.002 0.498 11.385 1.00 4.08 H new ATOM 607 N ALA A 40 12.038 -1.825 8.146 1.00 0.80 N ATOM 608 CA ALA A 40 12.564 -3.160 7.908 1.00 0.90 C ATOM 609 C ALA A 40 12.536 -3.516 6.420 1.00 0.92 C ATOM 610 O ALA A 40 13.469 -4.139 5.919 1.00 1.17 O ATOM 611 CB ALA A 40 11.749 -4.150 8.736 1.00 0.87 C ATOM 0 H ALA A 40 11.064 -1.719 7.861 1.00 0.80 H new ATOM 0 HA ALA A 40 13.610 -3.202 8.213 1.00 0.90 H new ATOM 0 HB1 ALA A 40 12.127 -5.159 8.572 1.00 0.87 H new ATOM 0 HB2 ALA A 40 11.834 -3.897 9.793 1.00 0.87 H new ATOM 0 HB3 ALA A 40 10.703 -4.101 8.435 1.00 0.87 H new ATOM 617 N GLY A 41 11.459 -3.149 5.720 1.00 0.77 N ATOM 618 CA GLY A 41 11.231 -3.488 4.324 1.00 0.87 C ATOM 619 C GLY A 41 9.862 -4.143 4.171 1.00 0.84 C ATOM 620 O GLY A 41 9.731 -5.218 3.588 1.00 1.01 O ATOM 0 H GLY A 41 10.705 -2.593 6.125 1.00 0.77 H new ATOM 0 HA2 GLY A 41 11.286 -2.590 3.708 1.00 0.87 H new ATOM 0 HA3 GLY A 41 12.010 -4.164 3.972 1.00 0.87 H new ATOM 624 N LYS A 42 8.834 -3.493 4.718 1.00 0.68 N ATOM 625 CA LYS A 42 7.465 -3.959 4.723 1.00 0.68 C ATOM 626 C LYS A 42 6.509 -2.782 4.543 1.00 0.57 C ATOM 627 O LYS A 42 6.916 -1.620 4.487 1.00 0.50 O ATOM 628 CB LYS A 42 7.191 -4.715 6.038 1.00 0.78 C ATOM 629 CG LYS A 42 7.232 -6.237 5.847 1.00 0.58 C ATOM 630 CD LYS A 42 6.042 -6.952 6.514 1.00 1.86 C ATOM 631 CE LYS A 42 4.687 -6.462 5.961 1.00 3.68 C ATOM 632 NZ LYS A 42 3.584 -7.412 6.205 1.00 5.44 N ATOM 0 H LYS A 42 8.947 -2.593 5.185 1.00 0.68 H new ATOM 0 HA LYS A 42 7.303 -4.644 3.891 1.00 0.68 H new ATOM 0 HB2 LYS A 42 7.930 -4.424 6.784 1.00 0.78 H new ATOM 0 HB3 LYS A 42 6.215 -4.425 6.426 1.00 0.78 H new ATOM 0 HG2 LYS A 42 7.237 -6.465 4.781 1.00 0.58 H new ATOM 0 HG3 LYS A 42 8.162 -6.626 6.260 1.00 0.58 H new ATOM 0 HD2 LYS A 42 6.130 -8.027 6.356 1.00 1.86 H new ATOM 0 HD3 LYS A 42 6.076 -6.784 7.590 1.00 1.86 H new ATOM 0 HE2 LYS A 42 4.440 -5.503 6.417 1.00 3.68 H new ATOM 0 HE3 LYS A 42 4.780 -6.290 4.889 1.00 3.68 H new ATOM 0 HZ1 LYS A 42 2.797 -7.204 5.557 1.00 5.44 H new ATOM 0 HZ2 LYS A 42 3.920 -8.383 6.042 1.00 5.44 H new ATOM 0 HZ3 LYS A 42 3.257 -7.319 7.188 1.00 5.44 H new ATOM 646 N ALA A 43 5.224 -3.118 4.459 1.00 0.62 N ATOM 647 CA ALA A 43 4.135 -2.224 4.172 1.00 0.58 C ATOM 648 C ALA A 43 2.931 -2.682 4.993 1.00 0.69 C ATOM 649 O ALA A 43 2.620 -3.876 5.006 1.00 0.93 O ATOM 650 CB ALA A 43 3.868 -2.314 2.667 1.00 0.66 C ATOM 0 H ALA A 43 4.911 -4.078 4.599 1.00 0.62 H new ATOM 0 HA ALA A 43 4.352 -1.188 4.432 1.00 0.58 H new ATOM 0 HB1 ALA A 43 3.046 -1.649 2.403 1.00 0.66 H new ATOM 0 HB2 ALA A 43 4.763 -2.018 2.120 1.00 0.66 H new ATOM 0 HB3 ALA A 43 3.605 -3.339 2.405 1.00 0.66 H new ATOM 656 N GLU A 44 2.276 -1.751 5.695 1.00 0.59 N ATOM 657 CA GLU A 44 1.053 -2.062 6.429 1.00 0.63 C ATOM 658 C GLU A 44 -0.023 -1.017 6.152 1.00 0.64 C ATOM 659 O GLU A 44 0.030 0.099 6.656 1.00 0.84 O ATOM 660 CB GLU A 44 1.298 -2.299 7.923 1.00 0.78 C ATOM 661 CG GLU A 44 1.998 -1.194 8.729 1.00 1.72 C ATOM 662 CD GLU A 44 1.896 -1.495 10.224 1.00 1.68 C ATOM 663 OE1 GLU A 44 0.795 -1.923 10.655 1.00 2.35 O ATOM 664 OE2 GLU A 44 2.920 -1.322 10.914 1.00 2.07 O ATOM 0 H GLU A 44 2.575 -0.778 5.768 1.00 0.59 H new ATOM 0 HA GLU A 44 0.678 -3.015 6.056 1.00 0.63 H new ATOM 0 HB2 GLU A 44 0.333 -2.492 8.392 1.00 0.78 H new ATOM 0 HB3 GLU A 44 1.889 -3.209 8.023 1.00 0.78 H new ATOM 0 HG2 GLU A 44 3.045 -1.125 8.434 1.00 1.72 H new ATOM 0 HG3 GLU A 44 1.541 -0.229 8.512 1.00 1.72 H new ATOM 671 N VAL A 45 -0.992 -1.379 5.319 1.00 0.70 N ATOM 672 CA VAL A 45 -2.090 -0.513 4.949 1.00 0.73 C ATOM 673 C VAL A 45 -3.252 -0.776 5.909 1.00 0.65 C ATOM 674 O VAL A 45 -3.296 -1.799 6.594 1.00 0.99 O ATOM 675 CB VAL A 45 -2.422 -0.761 3.467 1.00 1.11 C ATOM 676 CG1 VAL A 45 -3.512 0.179 2.952 1.00 2.04 C ATOM 677 CG2 VAL A 45 -1.174 -0.529 2.616 1.00 2.40 C ATOM 0 H VAL A 45 -1.032 -2.298 4.878 1.00 0.70 H new ATOM 0 HA VAL A 45 -1.845 0.545 5.040 1.00 0.73 H new ATOM 0 HB VAL A 45 -2.776 -1.789 3.390 1.00 1.11 H new ATOM 0 HG11 VAL A 45 -3.711 -0.035 1.902 1.00 2.04 H new ATOM 0 HG12 VAL A 45 -4.423 0.031 3.531 1.00 2.04 H new ATOM 0 HG13 VAL A 45 -3.180 1.212 3.055 1.00 2.04 H new ATOM 0 HG21 VAL A 45 -1.411 -0.705 1.567 1.00 2.40 H new ATOM 0 HG22 VAL A 45 -0.833 0.498 2.743 1.00 2.40 H new ATOM 0 HG23 VAL A 45 -0.387 -1.214 2.930 1.00 2.40 H new ATOM 687 N ARG A 46 -4.191 0.162 5.985 1.00 0.53 N ATOM 688 CA ARG A 46 -5.429 0.035 6.721 1.00 0.44 C ATOM 689 C ARG A 46 -6.545 0.495 5.792 1.00 0.40 C ATOM 690 O ARG A 46 -6.640 1.682 5.477 1.00 0.50 O ATOM 691 CB ARG A 46 -5.354 0.829 8.029 1.00 0.62 C ATOM 692 CG ARG A 46 -6.486 0.377 8.955 1.00 0.82 C ATOM 693 CD ARG A 46 -6.304 0.896 10.387 1.00 1.26 C ATOM 694 NE ARG A 46 -6.692 2.309 10.531 1.00 2.07 N ATOM 695 CZ ARG A 46 -6.666 2.979 11.696 1.00 2.66 C ATOM 696 NH1 ARG A 46 -6.133 2.401 12.780 1.00 2.63 N ATOM 697 NH2 ARG A 46 -7.175 4.212 11.781 1.00 4.08 N ATOM 0 H ARG A 46 -4.100 1.063 5.515 1.00 0.53 H new ATOM 0 HA ARG A 46 -5.625 -0.994 7.022 1.00 0.44 H new ATOM 0 HB2 ARG A 46 -4.389 0.671 8.510 1.00 0.62 H new ATOM 0 HB3 ARG A 46 -5.438 1.897 7.826 1.00 0.62 H new ATOM 0 HG2 ARG A 46 -7.439 0.730 8.561 1.00 0.82 H new ATOM 0 HG3 ARG A 46 -6.530 -0.712 8.968 1.00 0.82 H new ATOM 0 HD2 ARG A 46 -6.900 0.288 11.068 1.00 1.26 H new ATOM 0 HD3 ARG A 46 -5.262 0.777 10.683 1.00 1.26 H new ATOM 0 HE ARG A 46 -6.999 2.809 9.697 1.00 2.07 H new ATOM 0 HH11 ARG A 46 -5.750 1.458 12.719 1.00 2.63 H new ATOM 0 HH12 ARG A 46 -6.110 2.904 13.667 1.00 2.63 H new ATOM 0 HH21 ARG A 46 -7.587 4.651 10.958 1.00 4.08 H new ATOM 0 HH22 ARG A 46 -7.151 4.713 12.669 1.00 4.08 H new ATOM 711 N TYR A 47 -7.331 -0.475 5.326 1.00 0.50 N ATOM 712 CA TYR A 47 -8.310 -0.346 4.256 1.00 0.53 C ATOM 713 C TYR A 47 -9.691 -0.717 4.777 1.00 0.48 C ATOM 714 O TYR A 47 -9.898 -0.796 5.988 1.00 0.55 O ATOM 715 CB TYR A 47 -7.894 -1.213 3.049 1.00 0.54 C ATOM 716 CG TYR A 47 -8.231 -2.704 3.057 1.00 0.51 C ATOM 717 CD1 TYR A 47 -8.074 -3.483 4.218 1.00 1.87 C ATOM 718 CD2 TYR A 47 -8.562 -3.351 1.848 1.00 1.94 C ATOM 719 CE1 TYR A 47 -8.168 -4.882 4.157 1.00 1.88 C ATOM 720 CE2 TYR A 47 -8.576 -4.756 1.773 1.00 2.01 C ATOM 721 CZ TYR A 47 -8.400 -5.528 2.937 1.00 0.79 C ATOM 722 OH TYR A 47 -8.560 -6.881 2.972 1.00 1.00 O ATOM 0 H TYR A 47 -7.297 -1.420 5.707 1.00 0.50 H new ATOM 0 HA TYR A 47 -8.350 0.688 3.915 1.00 0.53 H new ATOM 0 HB2 TYR A 47 -8.348 -0.778 2.159 1.00 0.54 H new ATOM 0 HB3 TYR A 47 -6.814 -1.120 2.934 1.00 0.54 H new ATOM 0 HD1 TYR A 47 -7.879 -3.000 5.164 1.00 1.87 H new ATOM 0 HD2 TYR A 47 -8.806 -2.764 0.975 1.00 1.94 H new ATOM 0 HE1 TYR A 47 -8.060 -5.465 5.059 1.00 1.88 H new ATOM 0 HE2 TYR A 47 -8.722 -5.243 0.820 1.00 2.01 H new ATOM 0 HH TYR A 47 -8.951 -7.142 3.832 1.00 1.00 H new ATOM 732 N ASN A 48 -10.619 -1.001 3.863 1.00 0.55 N ATOM 733 CA ASN A 48 -11.896 -1.606 4.188 1.00 0.70 C ATOM 734 C ASN A 48 -12.339 -2.511 3.039 1.00 0.75 C ATOM 735 O ASN A 48 -12.647 -2.007 1.964 1.00 0.84 O ATOM 736 CB ASN A 48 -12.942 -0.517 4.480 1.00 0.83 C ATOM 737 CG ASN A 48 -13.411 0.273 3.261 1.00 1.80 C ATOM 738 OD1 ASN A 48 -14.494 0.038 2.732 1.00 2.66 O ATOM 739 ND2 ASN A 48 -12.615 1.225 2.800 1.00 3.13 N ATOM 0 H ASN A 48 -10.497 -0.813 2.868 1.00 0.55 H new ATOM 0 HA ASN A 48 -11.794 -2.215 5.086 1.00 0.70 H new ATOM 0 HB2 ASN A 48 -13.809 -0.984 4.947 1.00 0.83 H new ATOM 0 HB3 ASN A 48 -12.525 0.180 5.207 1.00 0.83 H new ATOM 0 HD21 ASN A 48 -12.897 1.779 1.991 1.00 3.13 H new ATOM 0 HD22 ASN A 48 -11.719 1.405 3.254 1.00 3.13 H new ATOM 746 N PRO A 49 -12.406 -3.840 3.175 1.00 0.72 N ATOM 747 CA PRO A 49 -13.037 -4.623 2.134 1.00 0.67 C ATOM 748 C PRO A 49 -14.543 -4.338 2.144 1.00 0.73 C ATOM 749 O PRO A 49 -15.312 -4.970 2.865 1.00 1.09 O ATOM 750 CB PRO A 49 -12.650 -6.067 2.423 1.00 0.75 C ATOM 751 CG PRO A 49 -12.451 -6.089 3.937 1.00 0.76 C ATOM 752 CD PRO A 49 -11.873 -4.701 4.219 1.00 0.81 C ATOM 0 HA PRO A 49 -12.714 -4.378 1.122 1.00 0.67 H new ATOM 0 HB2 PRO A 49 -13.430 -6.761 2.111 1.00 0.75 H new ATOM 0 HB3 PRO A 49 -11.740 -6.352 1.895 1.00 0.75 H new ATOM 0 HG2 PRO A 49 -13.390 -6.252 4.467 1.00 0.76 H new ATOM 0 HG3 PRO A 49 -11.769 -6.882 4.245 1.00 0.76 H new ATOM 0 HD2 PRO A 49 -12.166 -4.347 5.207 1.00 0.81 H new ATOM 0 HD3 PRO A 49 -10.783 -4.717 4.196 1.00 0.81 H new ATOM 760 N ALA A 50 -14.943 -3.337 1.358 1.00 0.64 N ATOM 761 CA ALA A 50 -16.324 -3.040 1.015 1.00 0.75 C ATOM 762 C ALA A 50 -16.344 -2.296 -0.321 1.00 0.79 C ATOM 763 O ALA A 50 -16.796 -2.842 -1.323 1.00 1.13 O ATOM 764 CB ALA A 50 -17.013 -2.259 2.142 1.00 0.90 C ATOM 0 H ALA A 50 -14.283 -2.689 0.929 1.00 0.64 H new ATOM 0 HA ALA A 50 -16.893 -3.963 0.902 1.00 0.75 H new ATOM 0 HB1 ALA A 50 -18.045 -2.049 1.861 1.00 0.90 H new ATOM 0 HB2 ALA A 50 -16.999 -2.852 3.057 1.00 0.90 H new ATOM 0 HB3 ALA A 50 -16.485 -1.321 2.310 1.00 0.90 H new ATOM 770 N VAL A 51 -15.824 -1.064 -0.345 1.00 0.65 N ATOM 771 CA VAL A 51 -15.819 -0.220 -1.540 1.00 0.79 C ATOM 772 C VAL A 51 -14.530 -0.438 -2.340 1.00 0.74 C ATOM 773 O VAL A 51 -14.558 -0.703 -3.537 1.00 1.02 O ATOM 774 CB VAL A 51 -15.988 1.253 -1.112 1.00 0.94 C ATOM 775 CG1 VAL A 51 -15.829 2.219 -2.292 1.00 1.17 C ATOM 776 CG2 VAL A 51 -17.375 1.463 -0.489 1.00 1.26 C ATOM 0 H VAL A 51 -15.393 -0.624 0.469 1.00 0.65 H new ATOM 0 HA VAL A 51 -16.650 -0.489 -2.193 1.00 0.79 H new ATOM 0 HB VAL A 51 -15.205 1.466 -0.385 1.00 0.94 H new ATOM 0 HG11 VAL A 51 -15.956 3.244 -1.943 1.00 1.17 H new ATOM 0 HG12 VAL A 51 -14.835 2.104 -2.725 1.00 1.17 H new ATOM 0 HG13 VAL A 51 -16.582 1.997 -3.048 1.00 1.17 H new ATOM 0 HG21 VAL A 51 -17.485 2.505 -0.190 1.00 1.26 H new ATOM 0 HG22 VAL A 51 -18.144 1.212 -1.220 1.00 1.26 H new ATOM 0 HG23 VAL A 51 -17.482 0.821 0.386 1.00 1.26 H new ATOM 786 N ILE A 52 -13.395 -0.295 -1.657 1.00 0.57 N ATOM 787 CA ILE A 52 -12.071 -0.156 -2.260 1.00 0.67 C ATOM 788 C ILE A 52 -11.611 -1.428 -2.982 1.00 0.79 C ATOM 789 O ILE A 52 -10.874 -1.331 -3.957 1.00 1.32 O ATOM 790 CB ILE A 52 -11.068 0.325 -1.195 1.00 0.71 C ATOM 791 CG1 ILE A 52 -9.627 0.332 -1.719 1.00 1.01 C ATOM 792 CG2 ILE A 52 -11.181 -0.476 0.106 1.00 0.71 C ATOM 793 CD1 ILE A 52 -8.672 0.748 -0.607 1.00 1.38 C ATOM 0 H ILE A 52 -13.371 -0.272 -0.638 1.00 0.57 H new ATOM 0 HA ILE A 52 -12.127 0.601 -3.043 1.00 0.67 H new ATOM 0 HB ILE A 52 -11.335 1.357 -0.966 1.00 0.71 H new ATOM 0 HG12 ILE A 52 -9.360 -0.658 -2.088 1.00 1.01 H new ATOM 0 HG13 ILE A 52 -9.540 1.019 -2.561 1.00 1.01 H new ATOM 0 HG21 ILE A 52 -10.455 -0.102 0.828 1.00 0.71 H new ATOM 0 HG22 ILE A 52 -12.186 -0.368 0.513 1.00 0.71 H new ATOM 0 HG23 ILE A 52 -10.982 -1.528 -0.096 1.00 0.71 H new ATOM 0 HD11 ILE A 52 -7.650 0.751 -0.987 1.00 1.38 H new ATOM 0 HD12 ILE A 52 -8.932 1.748 -0.259 1.00 1.38 H new ATOM 0 HD13 ILE A 52 -8.749 0.044 0.221 1.00 1.38 H new ATOM 805 N GLN A 53 -12.038 -2.601 -2.499 1.00 0.55 N ATOM 806 CA GLN A 53 -11.777 -3.917 -3.072 1.00 0.65 C ATOM 807 C GLN A 53 -10.309 -4.374 -2.898 1.00 0.63 C ATOM 808 O GLN A 53 -9.400 -3.797 -3.497 1.00 0.67 O ATOM 809 CB GLN A 53 -12.254 -3.987 -4.537 1.00 0.72 C ATOM 810 CG GLN A 53 -13.721 -4.421 -4.672 1.00 1.04 C ATOM 811 CD GLN A 53 -13.844 -5.940 -4.756 1.00 1.41 C ATOM 812 OE1 GLN A 53 -13.786 -6.512 -5.838 1.00 2.61 O ATOM 813 NE2 GLN A 53 -13.992 -6.621 -3.623 1.00 1.38 N ATOM 0 H GLN A 53 -12.605 -2.655 -1.653 1.00 0.55 H new ATOM 0 HA GLN A 53 -12.367 -4.636 -2.503 1.00 0.65 H new ATOM 0 HB2 GLN A 53 -12.126 -3.009 -5.002 1.00 0.72 H new ATOM 0 HB3 GLN A 53 -11.622 -4.686 -5.086 1.00 0.72 H new ATOM 0 HG2 GLN A 53 -14.291 -4.054 -3.818 1.00 1.04 H new ATOM 0 HG3 GLN A 53 -14.156 -3.969 -5.563 1.00 1.04 H new ATOM 0 HE21 GLN A 53 -14.038 -6.126 -2.733 1.00 1.38 H new ATOM 0 HE22 GLN A 53 -14.059 -7.639 -3.645 1.00 1.38 H new ATOM 822 N PRO A 54 -10.053 -5.461 -2.137 1.00 0.68 N ATOM 823 CA PRO A 54 -8.750 -6.117 -2.090 1.00 0.88 C ATOM 824 C PRO A 54 -8.109 -6.394 -3.457 1.00 1.01 C ATOM 825 O PRO A 54 -6.903 -6.208 -3.591 1.00 1.23 O ATOM 826 CB PRO A 54 -8.922 -7.413 -1.294 1.00 1.05 C ATOM 827 CG PRO A 54 -10.212 -7.209 -0.507 1.00 0.84 C ATOM 828 CD PRO A 54 -11.011 -6.184 -1.310 1.00 0.69 C ATOM 0 HA PRO A 54 -8.052 -5.430 -1.611 1.00 0.88 H new ATOM 0 HB2 PRO A 54 -8.992 -8.278 -1.954 1.00 1.05 H new ATOM 0 HB3 PRO A 54 -8.075 -7.586 -0.630 1.00 1.05 H new ATOM 0 HG2 PRO A 54 -10.762 -8.144 -0.403 1.00 0.84 H new ATOM 0 HG3 PRO A 54 -10.006 -6.847 0.500 1.00 0.84 H new ATOM 0 HD2 PRO A 54 -11.762 -6.677 -1.928 1.00 0.69 H new ATOM 0 HD3 PRO A 54 -11.542 -5.502 -0.647 1.00 0.69 H new ATOM 836 N PRO A 55 -8.840 -6.849 -4.492 1.00 0.99 N ATOM 837 CA PRO A 55 -8.211 -7.044 -5.787 1.00 1.16 C ATOM 838 C PRO A 55 -7.771 -5.727 -6.448 1.00 1.15 C ATOM 839 O PRO A 55 -7.047 -5.791 -7.438 1.00 1.69 O ATOM 840 CB PRO A 55 -9.211 -7.848 -6.627 1.00 1.25 C ATOM 841 CG PRO A 55 -10.561 -7.558 -5.977 1.00 1.10 C ATOM 842 CD PRO A 55 -10.205 -7.364 -4.505 1.00 0.96 C ATOM 0 HA PRO A 55 -7.274 -7.591 -5.686 1.00 1.16 H new ATOM 0 HB2 PRO A 55 -9.196 -7.536 -7.671 1.00 1.25 H new ATOM 0 HB3 PRO A 55 -8.981 -8.913 -6.609 1.00 1.25 H new ATOM 0 HG2 PRO A 55 -11.028 -6.668 -6.399 1.00 1.10 H new ATOM 0 HG3 PRO A 55 -11.261 -8.382 -6.117 1.00 1.10 H new ATOM 0 HD2 PRO A 55 -10.891 -6.666 -4.025 1.00 0.96 H new ATOM 0 HD3 PRO A 55 -10.274 -8.305 -3.959 1.00 0.96 H new ATOM 850 N MET A 56 -8.176 -4.550 -5.941 1.00 0.71 N ATOM 851 CA MET A 56 -7.934 -3.269 -6.553 1.00 0.72 C ATOM 852 C MET A 56 -6.958 -2.406 -5.725 1.00 0.58 C ATOM 853 O MET A 56 -6.134 -1.709 -6.320 1.00 0.50 O ATOM 854 CB MET A 56 -9.313 -2.644 -6.766 1.00 0.95 C ATOM 855 CG MET A 56 -9.150 -1.222 -7.264 1.00 1.60 C ATOM 856 SD MET A 56 -10.628 -0.478 -7.997 1.00 1.78 S ATOM 857 CE MET A 56 -9.873 0.960 -8.787 1.00 3.30 C ATOM 0 H MET A 56 -8.696 -4.482 -5.066 1.00 0.71 H new ATOM 0 HA MET A 56 -7.423 -3.360 -7.512 1.00 0.72 H new ATOM 0 HB2 MET A 56 -9.883 -3.230 -7.487 1.00 0.95 H new ATOM 0 HB3 MET A 56 -9.876 -2.652 -5.833 1.00 0.95 H new ATOM 0 HG2 MET A 56 -8.826 -0.599 -6.430 1.00 1.60 H new ATOM 0 HG3 MET A 56 -8.350 -1.204 -8.005 1.00 1.60 H new ATOM 0 HE1 MET A 56 -10.642 1.543 -9.294 1.00 3.30 H new ATOM 0 HE2 MET A 56 -9.389 1.578 -8.031 1.00 3.30 H new ATOM 0 HE3 MET A 56 -9.132 0.628 -9.514 1.00 3.30 H new ATOM 867 N ILE A 57 -7.002 -2.442 -4.382 1.00 0.63 N ATOM 868 CA ILE A 57 -5.996 -1.803 -3.535 1.00 0.69 C ATOM 869 C ILE A 57 -4.568 -2.039 -4.069 1.00 0.53 C ATOM 870 O ILE A 57 -3.816 -1.088 -4.273 1.00 0.62 O ATOM 871 CB ILE A 57 -6.197 -2.245 -2.067 1.00 0.99 C ATOM 872 CG1 ILE A 57 -5.492 -1.291 -1.099 1.00 1.54 C ATOM 873 CG2 ILE A 57 -5.720 -3.670 -1.793 1.00 3.12 C ATOM 874 CD1 ILE A 57 -5.612 -1.761 0.353 1.00 1.49 C ATOM 0 H ILE A 57 -7.738 -2.916 -3.859 1.00 0.63 H new ATOM 0 HA ILE A 57 -6.129 -0.722 -3.565 1.00 0.69 H new ATOM 0 HB ILE A 57 -7.274 -2.216 -1.903 1.00 0.99 H new ATOM 0 HG12 ILE A 57 -4.439 -1.212 -1.369 1.00 1.54 H new ATOM 0 HG13 ILE A 57 -5.921 -0.294 -1.195 1.00 1.54 H new ATOM 0 HG21 ILE A 57 -5.890 -3.915 -0.745 1.00 3.12 H new ATOM 0 HG22 ILE A 57 -6.273 -4.366 -2.423 1.00 3.12 H new ATOM 0 HG23 ILE A 57 -4.656 -3.746 -2.015 1.00 3.12 H new ATOM 0 HD11 ILE A 57 -5.098 -1.056 1.007 1.00 1.49 H new ATOM 0 HD12 ILE A 57 -6.664 -1.815 0.632 1.00 1.49 H new ATOM 0 HD13 ILE A 57 -5.159 -2.747 0.455 1.00 1.49 H new ATOM 886 N ALA A 58 -4.205 -3.302 -4.343 1.00 0.47 N ATOM 887 CA ALA A 58 -2.966 -3.665 -5.011 1.00 0.54 C ATOM 888 C ALA A 58 -2.765 -2.865 -6.292 1.00 0.56 C ATOM 889 O ALA A 58 -1.742 -2.203 -6.423 1.00 0.63 O ATOM 890 CB ALA A 58 -2.950 -5.163 -5.322 1.00 0.72 C ATOM 0 H ALA A 58 -4.782 -4.107 -4.098 1.00 0.47 H new ATOM 0 HA ALA A 58 -2.145 -3.429 -4.335 1.00 0.54 H new ATOM 0 HB1 ALA A 58 -2.016 -5.421 -5.822 1.00 0.72 H new ATOM 0 HB2 ALA A 58 -3.032 -5.728 -4.394 1.00 0.72 H new ATOM 0 HB3 ALA A 58 -3.790 -5.409 -5.972 1.00 0.72 H new ATOM 896 N GLU A 59 -3.703 -2.926 -7.240 1.00 0.59 N ATOM 897 CA GLU A 59 -3.576 -2.252 -8.519 1.00 0.67 C ATOM 898 C GLU A 59 -3.163 -0.791 -8.337 1.00 0.65 C ATOM 899 O GLU A 59 -2.155 -0.374 -8.899 1.00 0.71 O ATOM 900 CB GLU A 59 -4.881 -2.364 -9.302 1.00 0.77 C ATOM 901 CG GLU A 59 -5.190 -3.802 -9.746 1.00 0.91 C ATOM 902 CD GLU A 59 -4.184 -4.325 -10.762 1.00 1.28 C ATOM 903 OE1 GLU A 59 -4.289 -3.925 -11.938 1.00 2.33 O ATOM 904 OE2 GLU A 59 -3.310 -5.116 -10.345 1.00 2.69 O ATOM 0 H GLU A 59 -4.573 -3.448 -7.134 1.00 0.59 H new ATOM 0 HA GLU A 59 -2.787 -2.742 -9.090 1.00 0.67 H new ATOM 0 HB2 GLU A 59 -5.701 -1.995 -8.686 1.00 0.77 H new ATOM 0 HB3 GLU A 59 -4.828 -1.721 -10.181 1.00 0.77 H new ATOM 0 HG2 GLU A 59 -5.194 -4.456 -8.874 1.00 0.91 H new ATOM 0 HG3 GLU A 59 -6.190 -3.839 -10.177 1.00 0.91 H new ATOM 911 N PHE A 60 -3.887 -0.042 -7.500 1.00 0.61 N ATOM 912 CA PHE A 60 -3.537 1.326 -7.137 1.00 0.65 C ATOM 913 C PHE A 60 -2.053 1.503 -6.796 1.00 0.70 C ATOM 914 O PHE A 60 -1.452 2.529 -7.101 1.00 0.95 O ATOM 915 CB PHE A 60 -4.400 1.755 -5.940 1.00 0.64 C ATOM 916 CG PHE A 60 -4.933 3.159 -6.083 1.00 0.71 C ATOM 917 CD1 PHE A 60 -4.068 4.264 -5.994 1.00 1.97 C ATOM 918 CD2 PHE A 60 -6.276 3.349 -6.440 1.00 1.90 C ATOM 919 CE1 PHE A 60 -4.566 5.561 -6.195 1.00 2.05 C ATOM 920 CE2 PHE A 60 -6.763 4.639 -6.679 1.00 1.92 C ATOM 921 CZ PHE A 60 -5.916 5.753 -6.534 1.00 0.96 C ATOM 0 H PHE A 60 -4.741 -0.376 -7.053 1.00 0.61 H new ATOM 0 HA PHE A 60 -3.729 1.954 -8.007 1.00 0.65 H new ATOM 0 HB2 PHE A 60 -5.235 1.063 -5.832 1.00 0.64 H new ATOM 0 HB3 PHE A 60 -3.809 1.686 -5.027 1.00 0.64 H new ATOM 0 HD1 PHE A 60 -3.022 4.115 -5.771 1.00 1.97 H new ATOM 0 HD2 PHE A 60 -6.935 2.498 -6.531 1.00 1.90 H new ATOM 0 HE1 PHE A 60 -3.910 6.413 -6.089 1.00 2.05 H new ATOM 0 HE2 PHE A 60 -7.792 4.780 -6.976 1.00 1.92 H new ATOM 0 HZ PHE A 60 -6.302 6.751 -6.683 1.00 0.96 H new ATOM 931 N ILE A 61 -1.465 0.530 -6.100 1.00 0.57 N ATOM 932 CA ILE A 61 -0.045 0.533 -5.782 1.00 0.55 C ATOM 933 C ILE A 61 0.762 0.165 -7.039 1.00 0.56 C ATOM 934 O ILE A 61 1.750 0.819 -7.386 1.00 0.61 O ATOM 935 CB ILE A 61 0.207 -0.373 -4.561 1.00 0.54 C ATOM 936 CG1 ILE A 61 -0.595 0.154 -3.350 1.00 0.60 C ATOM 937 CG2 ILE A 61 1.701 -0.418 -4.227 1.00 0.62 C ATOM 938 CD1 ILE A 61 -0.671 -0.852 -2.200 1.00 0.65 C ATOM 0 H ILE A 61 -1.966 -0.283 -5.742 1.00 0.57 H new ATOM 0 HA ILE A 61 0.299 1.525 -5.491 1.00 0.55 H new ATOM 0 HB ILE A 61 -0.123 -1.385 -4.797 1.00 0.54 H new ATOM 0 HG12 ILE A 61 -0.136 1.075 -2.990 1.00 0.60 H new ATOM 0 HG13 ILE A 61 -1.605 0.406 -3.672 1.00 0.60 H new ATOM 0 HG21 ILE A 61 1.861 -1.062 -3.362 1.00 0.62 H new ATOM 0 HG22 ILE A 61 2.253 -0.812 -5.080 1.00 0.62 H new ATOM 0 HG23 ILE A 61 2.054 0.588 -4.000 1.00 0.62 H new ATOM 0 HD11 ILE A 61 -1.247 -0.424 -1.379 1.00 0.65 H new ATOM 0 HD12 ILE A 61 -1.156 -1.765 -2.546 1.00 0.65 H new ATOM 0 HD13 ILE A 61 0.336 -1.085 -1.854 1.00 0.65 H new ATOM 950 N ARG A 62 0.341 -0.895 -7.734 1.00 0.54 N ATOM 951 CA ARG A 62 0.999 -1.404 -8.929 1.00 0.56 C ATOM 952 C ARG A 62 0.968 -0.411 -10.093 1.00 0.57 C ATOM 953 O ARG A 62 1.731 -0.599 -11.036 1.00 0.63 O ATOM 954 CB ARG A 62 0.391 -2.735 -9.385 1.00 0.60 C ATOM 955 CG ARG A 62 0.480 -3.848 -8.332 1.00 0.62 C ATOM 956 CD ARG A 62 -0.303 -5.079 -8.805 1.00 0.98 C ATOM 957 NE ARG A 62 0.457 -5.860 -9.794 1.00 1.15 N ATOM 958 CZ ARG A 62 -0.055 -6.728 -10.686 1.00 1.75 C ATOM 959 NH1 ARG A 62 -1.359 -6.761 -10.965 1.00 2.52 N ATOM 960 NH2 ARG A 62 0.767 -7.588 -11.300 1.00 2.03 N ATOM 0 H ARG A 62 -0.486 -1.432 -7.471 1.00 0.54 H new ATOM 0 HA ARG A 62 2.040 -1.560 -8.645 1.00 0.56 H new ATOM 0 HB2 ARG A 62 -0.656 -2.576 -9.645 1.00 0.60 H new ATOM 0 HB3 ARG A 62 0.898 -3.064 -10.292 1.00 0.60 H new ATOM 0 HG2 ARG A 62 1.523 -4.114 -8.159 1.00 0.62 H new ATOM 0 HG3 ARG A 62 0.079 -3.494 -7.382 1.00 0.62 H new ATOM 0 HD2 ARG A 62 -0.542 -5.710 -7.949 1.00 0.98 H new ATOM 0 HD3 ARG A 62 -1.250 -4.762 -9.241 1.00 0.98 H new ATOM 0 HE ARG A 62 1.469 -5.731 -9.804 1.00 1.15 H new ATOM 0 HH11 ARG A 62 -1.997 -6.117 -10.497 1.00 2.52 H new ATOM 0 HH12 ARG A 62 -1.718 -7.430 -11.646 1.00 2.52 H new ATOM 0 HH21 ARG A 62 1.765 -7.579 -11.089 1.00 2.03 H new ATOM 0 HH22 ARG A 62 0.395 -8.253 -11.979 1.00 2.03 H new ATOM 974 N GLU A 63 0.166 0.657 -10.020 1.00 0.56 N ATOM 975 CA GLU A 63 0.291 1.847 -10.862 1.00 0.68 C ATOM 976 C GLU A 63 1.766 2.235 -11.080 1.00 0.69 C ATOM 977 O GLU A 63 2.140 2.704 -12.152 1.00 0.78 O ATOM 978 CB GLU A 63 -0.475 3.005 -10.201 1.00 0.80 C ATOM 979 CG GLU A 63 -2.000 2.839 -10.265 1.00 1.88 C ATOM 980 CD GLU A 63 -2.542 3.129 -11.658 1.00 2.92 C ATOM 981 OE1 GLU A 63 -2.562 4.326 -12.015 1.00 2.94 O ATOM 982 OE2 GLU A 63 -2.911 2.153 -12.344 1.00 4.46 O ATOM 0 H GLU A 63 -0.606 0.717 -9.357 1.00 0.56 H new ATOM 0 HA GLU A 63 -0.133 1.630 -11.842 1.00 0.68 H new ATOM 0 HB2 GLU A 63 -0.169 3.086 -9.158 1.00 0.80 H new ATOM 0 HB3 GLU A 63 -0.197 3.940 -10.688 1.00 0.80 H new ATOM 0 HG2 GLU A 63 -2.268 1.823 -9.975 1.00 1.88 H new ATOM 0 HG3 GLU A 63 -2.469 3.510 -9.545 1.00 1.88 H new ATOM 989 N LEU A 64 2.614 2.033 -10.065 1.00 0.65 N ATOM 990 CA LEU A 64 4.030 2.393 -10.104 1.00 0.70 C ATOM 991 C LEU A 64 4.899 1.323 -10.777 1.00 0.66 C ATOM 992 O LEU A 64 6.048 1.590 -11.116 1.00 0.75 O ATOM 993 CB LEU A 64 4.527 2.567 -8.669 1.00 0.85 C ATOM 994 CG LEU A 64 3.672 3.535 -7.843 1.00 0.80 C ATOM 995 CD1 LEU A 64 3.994 3.338 -6.369 1.00 1.07 C ATOM 996 CD2 LEU A 64 3.905 4.997 -8.230 1.00 1.00 C ATOM 0 H LEU A 64 2.329 1.609 -9.182 1.00 0.65 H new ATOM 0 HA LEU A 64 4.115 3.311 -10.686 1.00 0.70 H new ATOM 0 HB2 LEU A 64 4.541 1.595 -8.176 1.00 0.85 H new ATOM 0 HB3 LEU A 64 5.555 2.928 -8.689 1.00 0.85 H new ATOM 0 HG LEU A 64 2.624 3.314 -8.044 1.00 0.80 H new ATOM 0 HD11 LEU A 64 3.392 4.021 -5.770 1.00 1.07 H new ATOM 0 HD12 LEU A 64 3.770 2.311 -6.082 1.00 1.07 H new ATOM 0 HD13 LEU A 64 5.051 3.541 -6.197 1.00 1.07 H new ATOM 0 HD21 LEU A 64 3.276 5.641 -7.616 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.952 5.253 -8.070 1.00 1.00 H new ATOM 0 HD23 LEU A 64 3.653 5.140 -9.281 1.00 1.00 H new ATOM 1008 N GLY A 65 4.388 0.098 -10.908 1.00 0.63 N ATOM 1009 CA GLY A 65 5.099 -1.042 -11.467 1.00 0.65 C ATOM 1010 C GLY A 65 5.960 -1.773 -10.433 1.00 0.61 C ATOM 1011 O GLY A 65 6.898 -2.472 -10.807 1.00 0.68 O ATOM 0 H GLY A 65 3.437 -0.130 -10.617 1.00 0.63 H new ATOM 0 HA2 GLY A 65 4.378 -1.741 -11.891 1.00 0.65 H new ATOM 0 HA3 GLY A 65 5.733 -0.702 -12.286 1.00 0.65 H new ATOM 1015 N PHE A 66 5.640 -1.650 -9.138 1.00 0.67 N ATOM 1016 CA PHE A 66 6.358 -2.364 -8.085 1.00 0.71 C ATOM 1017 C PHE A 66 5.808 -3.776 -7.899 1.00 0.59 C ATOM 1018 O PHE A 66 4.615 -4.026 -8.080 1.00 0.60 O ATOM 1019 CB PHE A 66 6.321 -1.584 -6.763 1.00 0.81 C ATOM 1020 CG PHE A 66 7.526 -0.680 -6.586 1.00 0.92 C ATOM 1021 CD1 PHE A 66 7.566 0.568 -7.234 1.00 1.56 C ATOM 1022 CD2 PHE A 66 8.679 -1.167 -5.941 1.00 2.31 C ATOM 1023 CE1 PHE A 66 8.744 1.332 -7.221 1.00 1.83 C ATOM 1024 CE2 PHE A 66 9.850 -0.392 -5.907 1.00 2.73 C ATOM 1025 CZ PHE A 66 9.886 0.854 -6.554 1.00 1.96 C ATOM 0 H PHE A 66 4.883 -1.058 -8.797 1.00 0.67 H new ATOM 0 HA PHE A 66 7.399 -2.449 -8.396 1.00 0.71 H new ATOM 0 HB2 PHE A 66 5.412 -0.984 -6.725 1.00 0.81 H new ATOM 0 HB3 PHE A 66 6.274 -2.287 -5.932 1.00 0.81 H new ATOM 0 HD1 PHE A 66 6.689 0.939 -7.743 1.00 1.56 H new ATOM 0 HD2 PHE A 66 8.663 -2.139 -5.471 1.00 2.31 H new ATOM 0 HE1 PHE A 66 8.773 2.287 -7.724 1.00 1.83 H new ATOM 0 HE2 PHE A 66 10.722 -0.754 -5.383 1.00 2.73 H new ATOM 0 HZ PHE A 66 10.790 1.445 -6.539 1.00 1.96 H new ATOM 1035 N GLY A 67 6.677 -4.696 -7.467 1.00 0.58 N ATOM 1036 CA GLY A 67 6.313 -6.084 -7.244 1.00 0.60 C ATOM 1037 C GLY A 67 5.663 -6.201 -5.874 1.00 0.59 C ATOM 1038 O GLY A 67 6.260 -6.734 -4.941 1.00 0.69 O ATOM 0 H GLY A 67 7.655 -4.490 -7.264 1.00 0.58 H new ATOM 0 HA2 GLY A 67 5.626 -6.424 -8.019 1.00 0.60 H new ATOM 0 HA3 GLY A 67 7.196 -6.720 -7.299 1.00 0.60 H new ATOM 1042 N ALA A 68 4.446 -5.667 -5.763 1.00 0.51 N ATOM 1043 CA ALA A 68 3.663 -5.736 -4.542 1.00 0.49 C ATOM 1044 C ALA A 68 2.939 -7.077 -4.463 1.00 0.47 C ATOM 1045 O ALA A 68 2.723 -7.739 -5.477 1.00 0.53 O ATOM 1046 CB ALA A 68 2.670 -4.571 -4.492 1.00 0.51 C ATOM 0 H ALA A 68 3.979 -5.174 -6.524 1.00 0.51 H new ATOM 0 HA ALA A 68 4.327 -5.656 -3.681 1.00 0.49 H new ATOM 0 HB1 ALA A 68 2.086 -4.630 -3.573 1.00 0.51 H new ATOM 0 HB2 ALA A 68 3.215 -3.627 -4.516 1.00 0.51 H new ATOM 0 HB3 ALA A 68 2.001 -4.626 -5.351 1.00 0.51 H new ATOM 1052 N THR A 69 2.540 -7.465 -3.253 1.00 0.49 N ATOM 1053 CA THR A 69 1.718 -8.629 -2.997 1.00 0.60 C ATOM 1054 C THR A 69 0.879 -8.265 -1.782 1.00 0.57 C ATOM 1055 O THR A 69 1.431 -7.919 -0.737 1.00 0.60 O ATOM 1056 CB THR A 69 2.539 -9.920 -2.885 1.00 0.85 C ATOM 1057 OG1 THR A 69 1.694 -11.047 -2.775 1.00 1.85 O ATOM 1058 CG2 THR A 69 3.498 -9.890 -1.708 1.00 1.30 C ATOM 0 H THR A 69 2.791 -6.958 -2.404 1.00 0.49 H new ATOM 0 HA THR A 69 1.058 -8.871 -3.830 1.00 0.60 H new ATOM 0 HB THR A 69 3.127 -9.995 -3.800 1.00 0.85 H new ATOM 0 HG1 THR A 69 2.239 -11.859 -2.707 1.00 1.85 H new ATOM 0 HG21 THR A 69 4.057 -10.825 -1.670 1.00 1.30 H new ATOM 0 HG22 THR A 69 4.192 -9.057 -1.825 1.00 1.30 H new ATOM 0 HG23 THR A 69 2.935 -9.766 -0.783 1.00 1.30 H new ATOM 1066 N VAL A 70 -0.438 -8.234 -1.972 1.00 0.62 N ATOM 1067 CA VAL A 70 -1.409 -7.811 -0.984 1.00 0.61 C ATOM 1068 C VAL A 70 -1.986 -9.056 -0.325 1.00 0.74 C ATOM 1069 O VAL A 70 -2.268 -10.039 -1.009 1.00 0.80 O ATOM 1070 CB VAL A 70 -2.470 -6.945 -1.678 1.00 0.62 C ATOM 1071 CG1 VAL A 70 -3.408 -7.740 -2.602 1.00 0.72 C ATOM 1072 CG2 VAL A 70 -3.334 -6.207 -0.652 1.00 0.67 C ATOM 0 H VAL A 70 -0.867 -8.515 -2.854 1.00 0.62 H new ATOM 0 HA VAL A 70 -0.962 -7.200 -0.200 1.00 0.61 H new ATOM 0 HB VAL A 70 -1.903 -6.243 -2.289 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -4.131 -7.063 -3.057 1.00 0.72 H new ATOM 0 HG12 VAL A 70 -2.823 -8.225 -3.384 1.00 0.72 H new ATOM 0 HG13 VAL A 70 -3.936 -8.496 -2.021 1.00 0.72 H new ATOM 0 HG21 VAL A 70 -4.077 -5.601 -1.171 1.00 0.67 H new ATOM 0 HG22 VAL A 70 -3.839 -6.932 -0.013 1.00 0.67 H new ATOM 0 HG23 VAL A 70 -2.702 -5.562 -0.041 1.00 0.67 H new ATOM 1082 N ILE A 71 -2.130 -9.028 0.997 1.00 0.84 N ATOM 1083 CA ILE A 71 -2.700 -10.101 1.781 1.00 1.06 C ATOM 1084 C ILE A 71 -3.521 -9.495 2.925 1.00 1.07 C ATOM 1085 O ILE A 71 -3.342 -8.333 3.304 1.00 0.89 O ATOM 1086 CB ILE A 71 -1.616 -11.081 2.250 1.00 1.23 C ATOM 1087 CG1 ILE A 71 -0.585 -10.391 3.145 1.00 1.23 C ATOM 1088 CG2 ILE A 71 -0.908 -11.765 1.070 1.00 1.80 C ATOM 1089 CD1 ILE A 71 0.021 -11.428 4.075 1.00 1.53 C ATOM 0 H ILE A 71 -1.842 -8.230 1.563 1.00 0.84 H new ATOM 0 HA ILE A 71 -3.377 -10.699 1.170 1.00 1.06 H new ATOM 0 HB ILE A 71 -2.126 -11.849 2.832 1.00 1.23 H new ATOM 0 HG12 ILE A 71 0.192 -9.927 2.538 1.00 1.23 H new ATOM 0 HG13 ILE A 71 -1.057 -9.595 3.722 1.00 1.23 H new ATOM 0 HG21 ILE A 71 -0.149 -12.450 1.448 1.00 1.80 H new ATOM 0 HG22 ILE A 71 -1.637 -12.321 0.481 1.00 1.80 H new ATOM 0 HG23 ILE A 71 -0.435 -11.010 0.442 1.00 1.80 H new ATOM 0 HD11 ILE A 71 0.759 -10.951 4.720 1.00 1.53 H new ATOM 0 HD12 ILE A 71 -0.764 -11.871 4.687 1.00 1.53 H new ATOM 0 HD13 ILE A 71 0.504 -12.207 3.486 1.00 1.53 H new