USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 754 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 66 MET CE :methyl 146:sc= -1.32 (180deg=-1.37) USER MOD Set 1.2: A 135 THR OG1 : rot 67:sc= 0.153 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.175 X(o=-0.18,f=-0.013) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0.062) USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00983) USER MOD Single : A 64 THR OG1 : rot -8:sc= 0.559 USER MOD Single : A 67 MET CE :methyl -166:sc= -2.74 (180deg=-3.74!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.754 USER MOD Single : A 72 SER OG : rot 43:sc= 0.0687 USER MOD Single : A 74 ASN : amide:sc= -0.681 X(o=-0.68,f=-1.1) USER MOD Single : A 76 THR OG1 : rot 62:sc= -0.212 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 67:sc= 0.975 USER MOD Single : A 84 THR OG1 : rot 20:sc= 1.16 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 87:sc= -0.308 USER MOD Single : A 93 ASN : amide:sc= -4.4 K(o=-4.4,f=-5!) USER MOD Single : A 95 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.046) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.469 USER MOD Single : A 99 GLN : amide:sc= -2.51 K(o=-2.5,f=-4.2) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl -140:sc= -4.13! (180deg=-9.27!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.46) USER MOD Single : A 131 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 69 N LYS A 4 4.037 4.126 -6.239 1.00 35.25 N ATOM 70 CA LYS A 4 5.173 5.027 -6.393 1.00 75.44 C ATOM 71 C LYS A 4 6.093 4.955 -5.179 1.00 41.23 C ATOM 72 O LYS A 4 6.512 5.982 -4.645 1.00 2.10 O ATOM 73 CB LYS A 4 4.686 6.464 -6.594 1.00 63.22 C ATOM 74 CG LYS A 4 3.912 7.015 -5.409 1.00 43.24 C ATOM 75 CD LYS A 4 3.054 8.204 -5.809 1.00 33.44 C ATOM 76 CE LYS A 4 2.475 8.907 -4.591 1.00 1.34 C ATOM 77 NZ LYS A 4 2.622 10.386 -4.682 1.00 44.34 N ATOM 0 HA LYS A 4 5.737 4.715 -7.272 1.00 75.44 H new ATOM 0 HB2 LYS A 4 5.545 7.106 -6.786 1.00 63.22 H new ATOM 0 HB3 LYS A 4 4.053 6.504 -7.481 1.00 63.22 H new ATOM 0 HG2 LYS A 4 3.279 6.232 -4.991 1.00 43.24 H new ATOM 0 HG3 LYS A 4 4.608 7.314 -4.626 1.00 43.24 H new ATOM 0 HD2 LYS A 4 3.653 8.908 -6.387 1.00 33.44 H new ATOM 0 HD3 LYS A 4 2.244 7.868 -6.456 1.00 33.44 H new ATOM 0 HE2 LYS A 4 1.420 8.652 -4.492 1.00 1.34 H new ATOM 0 HE3 LYS A 4 2.975 8.547 -3.692 1.00 1.34 H new ATOM 0 HZ1 LYS A 4 2.215 10.828 -3.833 1.00 44.34 H new ATOM 0 HZ2 LYS A 4 3.630 10.631 -4.751 1.00 44.34 H new ATOM 0 HZ3 LYS A 4 2.123 10.733 -5.526 1.00 44.34 H new ATOM 91 N ASP A 5 6.405 3.737 -4.750 1.00 12.41 N ATOM 92 CA ASP A 5 7.278 3.532 -3.600 1.00 42.32 C ATOM 93 C ASP A 5 8.728 3.365 -4.043 1.00 25.53 C ATOM 94 O ASP A 5 9.321 2.299 -3.869 1.00 42.21 O ATOM 95 CB ASP A 5 6.830 2.306 -2.804 1.00 73.44 C ATOM 96 CG ASP A 5 7.443 2.258 -1.419 1.00 10.42 C ATOM 97 OD1 ASP A 5 6.851 2.843 -0.488 1.00 35.10 O ATOM 98 OD2 ASP A 5 8.516 1.638 -1.265 1.00 60.23 O ATOM 0 H ASP A 5 6.066 2.877 -5.181 1.00 12.41 H new ATOM 0 HA ASP A 5 7.211 4.413 -2.962 1.00 42.32 H new ATOM 0 HB2 ASP A 5 5.743 2.310 -2.717 1.00 73.44 H new ATOM 0 HB3 ASP A 5 7.102 1.403 -3.350 1.00 73.44 H new ATOM 103 N ILE A 6 9.293 4.422 -4.615 1.00 40.24 N ATOM 104 CA ILE A 6 10.673 4.391 -5.083 1.00 4.54 C ATOM 105 C ILE A 6 11.650 4.537 -3.921 1.00 3.33 C ATOM 106 O ILE A 6 11.248 4.803 -2.788 1.00 1.11 O ATOM 107 CB ILE A 6 10.945 5.506 -6.110 1.00 0.20 C ATOM 108 CG1 ILE A 6 10.865 6.879 -5.439 1.00 32.11 C ATOM 109 CG2 ILE A 6 9.957 5.416 -7.263 1.00 71.22 C ATOM 110 CD1 ILE A 6 11.129 8.030 -6.384 1.00 74.01 C ATOM 0 H ILE A 6 8.816 5.311 -4.766 1.00 40.24 H new ATOM 0 HA ILE A 6 10.822 3.423 -5.562 1.00 4.54 H new ATOM 0 HB ILE A 6 11.951 5.375 -6.508 1.00 0.20 H new ATOM 0 HG12 ILE A 6 9.876 7.002 -4.998 1.00 32.11 H new ATOM 0 HG13 ILE A 6 11.586 6.918 -4.622 1.00 32.11 H new ATOM 0 HG21 ILE A 6 10.162 6.210 -7.981 1.00 71.22 H new ATOM 0 HG22 ILE A 6 10.058 4.448 -7.754 1.00 71.22 H new ATOM 0 HG23 ILE A 6 8.942 5.525 -6.882 1.00 71.22 H new ATOM 0 HD11 ILE A 6 11.056 8.972 -5.840 1.00 74.01 H new ATOM 0 HD12 ILE A 6 12.129 7.932 -6.806 1.00 74.01 H new ATOM 0 HD13 ILE A 6 10.393 8.017 -7.188 1.00 74.01 H new ATOM 122 N ARG A 7 12.936 4.363 -4.210 1.00 53.42 N ATOM 123 CA ARG A 7 13.971 4.476 -3.190 1.00 13.23 C ATOM 124 C ARG A 7 14.831 5.715 -3.423 1.00 20.25 C ATOM 125 O ARG A 7 16.059 5.632 -3.460 1.00 32.10 O ATOM 126 CB ARG A 7 14.850 3.225 -3.185 1.00 24.34 C ATOM 127 CG ARG A 7 14.069 1.932 -3.015 1.00 63.11 C ATOM 128 CD ARG A 7 14.190 1.390 -1.599 1.00 71.34 C ATOM 129 NE ARG A 7 13.803 -0.016 -1.517 1.00 20.10 N ATOM 130 CZ ARG A 7 12.545 -0.437 -1.583 1.00 31.25 C ATOM 131 NH1 ARG A 7 11.557 0.435 -1.731 1.00 63.12 N ATOM 132 NH2 ARG A 7 12.273 -1.733 -1.500 1.00 35.21 N ATOM 0 H ARG A 7 13.286 4.143 -5.143 1.00 53.42 H new ATOM 0 HA ARG A 7 13.482 4.572 -2.221 1.00 13.23 H new ATOM 0 HB2 ARG A 7 15.410 3.181 -4.119 1.00 24.34 H new ATOM 0 HB3 ARG A 7 15.580 3.307 -2.380 1.00 24.34 H new ATOM 0 HG2 ARG A 7 13.019 2.106 -3.251 1.00 63.11 H new ATOM 0 HG3 ARG A 7 14.435 1.189 -3.723 1.00 63.11 H new ATOM 0 HD2 ARG A 7 15.218 1.504 -1.254 1.00 71.34 H new ATOM 0 HD3 ARG A 7 13.562 1.979 -0.930 1.00 71.34 H new ATOM 0 HE ARG A 7 14.539 -0.713 -1.403 1.00 20.10 H new ATOM 0 HH11 ARG A 7 11.762 1.432 -1.795 1.00 63.12 H new ATOM 0 HH12 ARG A 7 10.592 0.109 -1.781 1.00 63.12 H new ATOM 0 HH21 ARG A 7 13.030 -2.407 -1.385 1.00 35.21 H new ATOM 0 HH22 ARG A 7 11.307 -2.056 -1.551 1.00 35.21 H new ATOM 146 N ASP A 8 14.178 6.861 -3.579 1.00 3.11 N ATOM 147 CA ASP A 8 14.883 8.117 -3.808 1.00 10.24 C ATOM 148 C ASP A 8 15.791 8.016 -5.029 1.00 40.23 C ATOM 149 O ASP A 8 16.811 8.701 -5.116 1.00 32.24 O ATOM 150 CB ASP A 8 15.705 8.497 -2.575 1.00 65.03 C ATOM 151 CG ASP A 8 15.531 9.952 -2.189 1.00 13.44 C ATOM 152 OD1 ASP A 8 15.844 10.830 -3.021 1.00 34.40 O ATOM 153 OD2 ASP A 8 15.080 10.214 -1.054 1.00 2.30 O ATOM 0 H ASP A 8 13.162 6.946 -3.551 1.00 3.11 H new ATOM 0 HA ASP A 8 14.141 8.893 -3.994 1.00 10.24 H new ATOM 0 HB2 ASP A 8 15.412 7.864 -1.737 1.00 65.03 H new ATOM 0 HB3 ASP A 8 16.759 8.299 -2.770 1.00 65.03 H new ATOM 158 N TYR A 9 15.414 7.158 -5.970 1.00 64.24 N ATOM 159 CA TYR A 9 16.197 6.964 -7.186 1.00 15.43 C ATOM 160 C TYR A 9 17.616 6.513 -6.854 1.00 53.32 C ATOM 161 O TYR A 9 18.485 7.331 -6.556 1.00 41.14 O ATOM 162 CB TYR A 9 16.238 8.257 -8.002 1.00 11.52 C ATOM 163 CG TYR A 9 14.892 8.935 -8.132 1.00 25.14 C ATOM 164 CD1 TYR A 9 13.973 8.520 -9.087 1.00 60.50 C ATOM 165 CD2 TYR A 9 14.541 9.991 -7.300 1.00 31.22 C ATOM 166 CE1 TYR A 9 12.743 9.136 -9.210 1.00 33.11 C ATOM 167 CE2 TYR A 9 13.312 10.612 -7.415 1.00 24.05 C ATOM 168 CZ TYR A 9 12.417 10.181 -8.371 1.00 51.21 C ATOM 169 OH TYR A 9 11.193 10.798 -8.489 1.00 53.34 O ATOM 0 H TYR A 9 14.572 6.586 -5.915 1.00 64.24 H new ATOM 0 HA TYR A 9 15.717 6.184 -7.777 1.00 15.43 H new ATOM 0 HB2 TYR A 9 16.940 8.948 -7.536 1.00 11.52 H new ATOM 0 HB3 TYR A 9 16.622 8.036 -8.998 1.00 11.52 H new ATOM 0 HD1 TYR A 9 14.225 7.701 -9.745 1.00 60.50 H new ATOM 0 HD2 TYR A 9 15.240 10.332 -6.551 1.00 31.22 H new ATOM 0 HE1 TYR A 9 12.040 8.801 -9.959 1.00 33.11 H new ATOM 0 HE2 TYR A 9 13.054 11.431 -6.760 1.00 24.05 H new ATOM 0 HH TYR A 9 11.122 11.513 -7.823 1.00 53.34 H new ATOM 179 N ASN A 10 17.842 5.205 -6.909 1.00 73.31 N ATOM 180 CA ASN A 10 19.155 4.643 -6.615 1.00 60.10 C ATOM 181 C ASN A 10 19.379 3.349 -7.391 1.00 21.51 C ATOM 182 O ASN A 10 20.316 3.242 -8.183 1.00 32.54 O ATOM 183 CB ASN A 10 19.297 4.382 -5.114 1.00 73.01 C ATOM 184 CG ASN A 10 20.298 5.312 -4.458 1.00 1.55 C ATOM 185 OD1 ASN A 10 19.988 5.979 -3.470 1.00 22.22 O ATOM 186 ND2 ASN A 10 21.507 5.362 -5.005 1.00 71.02 N ATOM 0 H ASN A 10 17.133 4.514 -7.154 1.00 73.31 H new ATOM 0 HA ASN A 10 19.910 5.366 -6.924 1.00 60.10 H new ATOM 0 HB2 ASN A 10 18.326 4.501 -4.634 1.00 73.01 H new ATOM 0 HB3 ASN A 10 19.607 3.349 -4.955 1.00 73.01 H new ATOM 0 HD21 ASN A 10 22.222 5.970 -4.607 1.00 71.02 H new ATOM 0 HD22 ASN A 10 21.720 4.792 -5.823 1.00 71.02 H new ATOM 193 N ASP A 11 18.513 2.369 -7.158 1.00 71.54 N ATOM 194 CA ASP A 11 18.615 1.081 -7.836 1.00 54.44 C ATOM 195 C ASP A 11 17.353 0.252 -7.619 1.00 71.24 C ATOM 196 O ASP A 11 17.422 -0.962 -7.426 1.00 53.44 O ATOM 197 CB ASP A 11 19.838 0.312 -7.336 1.00 1.33 C ATOM 198 CG ASP A 11 20.318 -0.724 -8.332 1.00 62.34 C ATOM 199 OD1 ASP A 11 19.551 -1.055 -9.261 1.00 31.22 O ATOM 200 OD2 ASP A 11 21.461 -1.204 -8.185 1.00 4.04 O ATOM 0 H ASP A 11 17.733 2.441 -6.505 1.00 71.54 H new ATOM 0 HA ASP A 11 18.726 1.268 -8.904 1.00 54.44 H new ATOM 0 HB2 ASP A 11 20.646 1.014 -7.129 1.00 1.33 H new ATOM 0 HB3 ASP A 11 19.594 -0.180 -6.394 1.00 1.33 H new ATOM 205 N ALA A 12 16.202 0.915 -7.651 1.00 52.24 N ATOM 206 CA ALA A 12 14.925 0.239 -7.459 1.00 51.21 C ATOM 207 C ALA A 12 14.590 -0.651 -8.651 1.00 51.33 C ATOM 208 O ALA A 12 13.864 -1.636 -8.518 1.00 53.10 O ATOM 209 CB ALA A 12 13.818 1.257 -7.231 1.00 13.54 C ATOM 0 H ALA A 12 16.128 1.920 -7.808 1.00 52.24 H new ATOM 0 HA ALA A 12 15.007 -0.396 -6.577 1.00 51.21 H new ATOM 0 HB1 ALA A 12 12.870 0.738 -7.089 1.00 13.54 H new ATOM 0 HB2 ALA A 12 14.044 1.848 -6.344 1.00 13.54 H new ATOM 0 HB3 ALA A 12 13.745 1.915 -8.097 1.00 13.54 H new ATOM 215 N ASP A 13 15.123 -0.297 -9.816 1.00 33.03 N ATOM 216 CA ASP A 13 14.880 -1.064 -11.032 1.00 23.21 C ATOM 217 C ASP A 13 15.384 -2.496 -10.881 1.00 24.02 C ATOM 218 O ASP A 13 14.739 -3.442 -11.331 1.00 61.20 O ATOM 219 CB ASP A 13 15.560 -0.394 -12.227 1.00 24.30 C ATOM 220 CG ASP A 13 17.073 -0.466 -12.147 1.00 53.43 C ATOM 221 OD1 ASP A 13 17.664 0.327 -11.385 1.00 21.54 O ATOM 222 OD2 ASP A 13 17.665 -1.313 -12.848 1.00 72.02 O ATOM 0 H ASP A 13 15.726 0.516 -9.943 1.00 33.03 H new ATOM 0 HA ASP A 13 13.804 -1.093 -11.205 1.00 23.21 H new ATOM 0 HB2 ASP A 13 15.224 -0.872 -13.147 1.00 24.30 H new ATOM 0 HB3 ASP A 13 15.251 0.650 -12.279 1.00 24.30 H new ATOM 227 N MET A 14 16.542 -2.646 -10.245 1.00 71.52 N ATOM 228 CA MET A 14 17.132 -3.963 -10.035 1.00 23.21 C ATOM 229 C MET A 14 16.199 -4.854 -9.221 1.00 11.20 C ATOM 230 O MET A 14 16.304 -6.079 -9.261 1.00 71.31 O ATOM 231 CB MET A 14 18.481 -3.833 -9.324 1.00 72.52 C ATOM 232 CG MET A 14 19.155 -5.168 -9.051 1.00 71.33 C ATOM 233 SD MET A 14 20.950 -5.033 -8.956 1.00 23.13 S ATOM 234 CE MET A 14 21.289 -6.032 -7.508 1.00 75.53 C ATOM 0 H MET A 14 17.089 -1.873 -9.867 1.00 71.52 H new ATOM 0 HA MET A 14 17.286 -4.424 -11.011 1.00 23.21 H new ATOM 0 HB2 MET A 14 19.145 -3.218 -9.931 1.00 72.52 H new ATOM 0 HB3 MET A 14 18.336 -3.309 -8.379 1.00 72.52 H new ATOM 0 HG2 MET A 14 18.775 -5.578 -8.115 1.00 71.33 H new ATOM 0 HG3 MET A 14 18.889 -5.873 -9.839 1.00 71.33 H new ATOM 0 HE1 MET A 14 22.362 -6.046 -7.319 1.00 75.53 H new ATOM 0 HE2 MET A 14 20.774 -5.609 -6.645 1.00 75.53 H new ATOM 0 HE3 MET A 14 20.937 -7.050 -7.678 1.00 75.53 H new ATOM 244 N ALA A 15 15.287 -4.229 -8.483 1.00 71.50 N ATOM 245 CA ALA A 15 14.334 -4.966 -7.661 1.00 45.04 C ATOM 246 C ALA A 15 13.468 -5.885 -8.516 1.00 15.53 C ATOM 247 O ALA A 15 12.894 -6.853 -8.017 1.00 61.21 O ATOM 248 CB ALA A 15 13.464 -4.001 -6.870 1.00 30.44 C ATOM 0 H ALA A 15 15.188 -3.215 -8.437 1.00 71.50 H new ATOM 0 HA ALA A 15 14.896 -5.586 -6.963 1.00 45.04 H new ATOM 0 HB1 ALA A 15 12.757 -4.564 -6.261 1.00 30.44 H new ATOM 0 HB2 ALA A 15 14.094 -3.390 -6.224 1.00 30.44 H new ATOM 0 HB3 ALA A 15 12.917 -3.357 -7.558 1.00 30.44 H new ATOM 254 N ARG A 16 13.376 -5.574 -9.805 1.00 14.34 N ATOM 255 CA ARG A 16 12.577 -6.371 -10.728 1.00 14.34 C ATOM 256 C ARG A 16 13.035 -7.826 -10.726 1.00 72.13 C ATOM 257 O ARG A 16 12.271 -8.729 -11.071 1.00 20.01 O ATOM 258 CB ARG A 16 12.670 -5.797 -12.143 1.00 13.24 C ATOM 259 CG ARG A 16 11.344 -5.790 -12.886 1.00 33.24 C ATOM 260 CD ARG A 16 11.144 -7.072 -13.679 1.00 54.34 C ATOM 261 NE ARG A 16 12.058 -7.161 -14.815 1.00 12.32 N ATOM 262 CZ ARG A 16 11.849 -7.944 -15.867 1.00 53.11 C ATOM 263 NH1 ARG A 16 10.762 -8.701 -15.928 1.00 63.54 N ATOM 264 NH2 ARG A 16 12.727 -7.970 -16.861 1.00 61.03 N ATOM 0 H ARG A 16 13.845 -4.776 -10.234 1.00 14.34 H new ATOM 0 HA ARG A 16 11.539 -6.334 -10.396 1.00 14.34 H new ATOM 0 HB2 ARG A 16 13.051 -4.777 -12.088 1.00 13.24 H new ATOM 0 HB3 ARG A 16 13.394 -6.378 -12.715 1.00 13.24 H new ATOM 0 HG2 ARG A 16 10.527 -5.670 -12.174 1.00 33.24 H new ATOM 0 HG3 ARG A 16 11.308 -4.934 -13.560 1.00 33.24 H new ATOM 0 HD2 ARG A 16 11.295 -7.930 -13.024 1.00 54.34 H new ATOM 0 HD3 ARG A 16 10.115 -7.120 -14.037 1.00 54.34 H new ATOM 0 HE ARG A 16 12.903 -6.590 -14.799 1.00 12.32 H new ATOM 0 HH11 ARG A 16 10.084 -8.683 -15.166 1.00 63.54 H new ATOM 0 HH12 ARG A 16 10.604 -9.302 -16.737 1.00 63.54 H new ATOM 0 HH21 ARG A 16 13.564 -7.388 -16.818 1.00 61.03 H new ATOM 0 HH22 ARG A 16 12.565 -8.572 -17.669 1.00 61.03 H new ATOM 278 N LEU A 17 14.286 -8.047 -10.337 1.00 54.33 N ATOM 279 CA LEU A 17 14.847 -9.393 -10.291 1.00 54.44 C ATOM 280 C LEU A 17 13.960 -10.324 -9.472 1.00 33.52 C ATOM 281 O LEU A 17 13.928 -11.534 -9.705 1.00 41.52 O ATOM 282 CB LEU A 17 16.256 -9.359 -9.698 1.00 41.01 C ATOM 283 CG LEU A 17 16.344 -9.116 -8.191 1.00 45.11 C ATOM 284 CD1 LEU A 17 16.294 -10.434 -7.434 1.00 0.10 C ATOM 285 CD2 LEU A 17 17.614 -8.350 -7.848 1.00 12.11 C ATOM 0 H LEU A 17 14.931 -7.311 -10.049 1.00 54.33 H new ATOM 0 HA LEU A 17 14.898 -9.774 -11.311 1.00 54.44 H new ATOM 0 HB2 LEU A 17 16.746 -10.307 -9.922 1.00 41.01 H new ATOM 0 HB3 LEU A 17 16.823 -8.579 -10.205 1.00 41.01 H new ATOM 0 HG LEU A 17 15.487 -8.514 -7.889 1.00 45.11 H new ATOM 0 HD11 LEU A 17 16.358 -10.241 -6.363 1.00 0.10 H new ATOM 0 HD12 LEU A 17 15.357 -10.945 -7.655 1.00 0.10 H new ATOM 0 HD13 LEU A 17 17.131 -11.061 -7.740 1.00 0.10 H new ATOM 0 HD21 LEU A 17 17.660 -8.186 -6.771 1.00 12.11 H new ATOM 0 HD22 LEU A 17 18.483 -8.926 -8.165 1.00 12.11 H new ATOM 0 HD23 LEU A 17 17.609 -7.389 -8.362 1.00 12.11 H new ATOM 297 N LEU A 18 13.239 -9.755 -8.512 1.00 51.55 N ATOM 298 CA LEU A 18 12.349 -10.534 -7.659 1.00 13.31 C ATOM 299 C LEU A 18 11.407 -11.394 -8.496 1.00 11.34 C ATOM 300 O LEU A 18 11.102 -12.530 -8.133 1.00 44.53 O ATOM 301 CB LEU A 18 11.539 -9.606 -6.751 1.00 63.00 C ATOM 302 CG LEU A 18 11.622 -9.894 -5.252 1.00 21.43 C ATOM 303 CD1 LEU A 18 11.170 -11.316 -4.956 1.00 21.12 C ATOM 304 CD2 LEU A 18 13.038 -9.666 -4.742 1.00 14.11 C ATOM 0 H LEU A 18 13.254 -8.756 -8.305 1.00 51.55 H new ATOM 0 HA LEU A 18 12.961 -11.192 -7.043 1.00 13.31 H new ATOM 0 HB2 LEU A 18 11.871 -8.582 -6.923 1.00 63.00 H new ATOM 0 HB3 LEU A 18 10.493 -9.657 -7.053 1.00 63.00 H new ATOM 0 HG LEU A 18 10.955 -9.206 -4.732 1.00 21.43 H new ATOM 0 HD11 LEU A 18 11.236 -11.503 -3.884 1.00 21.12 H new ATOM 0 HD12 LEU A 18 10.139 -11.446 -5.284 1.00 21.12 H new ATOM 0 HD13 LEU A 18 11.811 -12.020 -5.487 1.00 21.12 H new ATOM 0 HD21 LEU A 18 13.078 -9.876 -3.673 1.00 14.11 H new ATOM 0 HD22 LEU A 18 13.725 -10.329 -5.268 1.00 14.11 H new ATOM 0 HD23 LEU A 18 13.326 -8.630 -4.919 1.00 14.11 H new ATOM 316 N GLU A 19 10.951 -10.844 -9.617 1.00 63.31 N ATOM 317 CA GLU A 19 10.045 -11.563 -10.506 1.00 3.34 C ATOM 318 C GLU A 19 10.620 -12.925 -10.883 1.00 43.14 C ATOM 319 O GLU A 19 9.879 -13.869 -11.155 1.00 53.41 O ATOM 320 CB GLU A 19 9.777 -10.742 -11.769 1.00 31.11 C ATOM 321 CG GLU A 19 8.366 -10.900 -12.309 1.00 74.41 C ATOM 322 CD GLU A 19 8.055 -9.923 -13.426 1.00 3.53 C ATOM 323 OE1 GLU A 19 8.799 -8.930 -13.570 1.00 21.02 O ATOM 324 OE2 GLU A 19 7.068 -10.151 -14.156 1.00 10.42 O ATOM 0 H GLU A 19 11.193 -9.904 -9.931 1.00 63.31 H new ATOM 0 HA GLU A 19 9.105 -11.719 -9.977 1.00 3.34 H new ATOM 0 HB2 GLU A 19 9.959 -9.689 -11.553 1.00 31.11 H new ATOM 0 HB3 GLU A 19 10.488 -11.036 -12.541 1.00 31.11 H new ATOM 0 HG2 GLU A 19 8.233 -11.918 -12.675 1.00 74.41 H new ATOM 0 HG3 GLU A 19 7.652 -10.757 -11.497 1.00 74.41 H new ATOM 331 N GLN A 20 11.946 -13.017 -10.898 1.00 61.45 N ATOM 332 CA GLN A 20 12.621 -14.263 -11.244 1.00 75.12 C ATOM 333 C GLN A 20 12.266 -15.367 -10.253 1.00 63.03 C ATOM 334 O GLN A 20 12.249 -16.547 -10.604 1.00 42.10 O ATOM 335 CB GLN A 20 14.136 -14.056 -11.275 1.00 12.22 C ATOM 336 CG GLN A 20 14.917 -15.323 -11.584 1.00 0.32 C ATOM 337 CD GLN A 20 16.408 -15.074 -11.705 1.00 34.24 C ATOM 338 OE1 GLN A 20 17.032 -14.520 -10.799 1.00 53.04 O ATOM 339 NE2 GLN A 20 16.987 -15.484 -12.827 1.00 24.33 N ATOM 0 H GLN A 20 12.574 -12.245 -10.675 1.00 61.45 H new ATOM 0 HA GLN A 20 12.284 -14.567 -12.235 1.00 75.12 H new ATOM 0 HB2 GLN A 20 14.376 -13.300 -12.023 1.00 12.22 H new ATOM 0 HB3 GLN A 20 14.461 -13.665 -10.311 1.00 12.22 H new ATOM 0 HG2 GLN A 20 14.738 -16.057 -10.798 1.00 0.32 H new ATOM 0 HG3 GLN A 20 14.548 -15.755 -12.514 1.00 0.32 H new ATOM 0 HE21 GLN A 20 16.431 -15.939 -13.551 1.00 24.33 H new ATOM 0 HE22 GLN A 20 17.988 -15.344 -12.965 1.00 24.33 H new ATOM 348 N TRP A 21 11.985 -14.976 -9.016 1.00 10.03 N ATOM 349 CA TRP A 21 11.631 -15.933 -7.974 1.00 25.43 C ATOM 350 C TRP A 21 10.505 -16.850 -8.436 1.00 72.45 C ATOM 351 O TRP A 21 10.517 -18.050 -8.161 1.00 13.41 O ATOM 352 CB TRP A 21 11.217 -15.199 -6.698 1.00 34.35 C ATOM 353 CG TRP A 21 10.898 -16.121 -5.559 1.00 55.33 C ATOM 354 CD1 TRP A 21 9.662 -16.383 -5.039 1.00 24.30 C ATOM 355 CD2 TRP A 21 11.829 -16.899 -4.800 1.00 72.21 C ATOM 356 NE1 TRP A 21 9.770 -17.278 -4.002 1.00 31.31 N ATOM 357 CE2 TRP A 21 11.088 -17.611 -3.836 1.00 3.10 C ATOM 358 CE3 TRP A 21 13.216 -17.066 -4.842 1.00 75.10 C ATOM 359 CZ2 TRP A 21 11.690 -18.473 -2.923 1.00 71.12 C ATOM 360 CZ3 TRP A 21 13.811 -17.922 -3.935 1.00 61.13 C ATOM 361 CH2 TRP A 21 13.049 -18.617 -2.987 1.00 22.41 C ATOM 0 H TRP A 21 11.995 -14.003 -8.710 1.00 10.03 H new ATOM 0 HA TRP A 21 12.509 -16.545 -7.764 1.00 25.43 H new ATOM 0 HB2 TRP A 21 12.020 -14.526 -6.397 1.00 34.35 H new ATOM 0 HB3 TRP A 21 10.345 -14.580 -6.910 1.00 34.35 H new ATOM 0 HD1 TRP A 21 8.737 -15.951 -5.391 1.00 24.30 H new ATOM 0 HE1 TRP A 21 8.994 -17.636 -3.446 1.00 31.31 H new ATOM 0 HE3 TRP A 21 13.812 -16.536 -5.570 1.00 75.10 H new ATOM 0 HZ2 TRP A 21 11.105 -19.009 -2.190 1.00 71.12 H new ATOM 0 HZ3 TRP A 21 14.882 -18.058 -3.957 1.00 61.13 H new ATOM 0 HH2 TRP A 21 13.544 -19.280 -2.293 1.00 22.41 H new ATOM 372 N GLU A 22 9.533 -16.278 -9.141 1.00 23.41 N ATOM 373 CA GLU A 22 8.399 -17.047 -9.641 1.00 1.52 C ATOM 374 C GLU A 22 8.855 -18.093 -10.654 1.00 12.21 C ATOM 375 O GLU A 22 8.748 -19.295 -10.413 1.00 34.52 O ATOM 376 CB GLU A 22 7.367 -16.116 -10.281 1.00 61.04 C ATOM 377 CG GLU A 22 6.222 -15.747 -9.354 1.00 12.33 C ATOM 378 CD GLU A 22 6.588 -14.636 -8.388 1.00 71.14 C ATOM 379 OE1 GLU A 22 7.549 -13.893 -8.677 1.00 41.22 O ATOM 380 OE2 GLU A 22 5.914 -14.510 -7.345 1.00 20.22 O ATOM 0 H GLU A 22 9.508 -15.286 -9.378 1.00 23.41 H new ATOM 0 HA GLU A 22 7.940 -17.561 -8.797 1.00 1.52 H new ATOM 0 HB2 GLU A 22 7.867 -15.204 -10.608 1.00 61.04 H new ATOM 0 HB3 GLU A 22 6.962 -16.595 -11.172 1.00 61.04 H new ATOM 0 HG2 GLU A 22 5.363 -15.437 -9.949 1.00 12.33 H new ATOM 0 HG3 GLU A 22 5.918 -16.629 -8.790 1.00 12.33 H new ATOM 387 N LYS A 23 9.363 -17.626 -11.789 1.00 64.32 N ATOM 388 CA LYS A 23 9.837 -18.519 -12.840 1.00 74.32 C ATOM 389 C LYS A 23 8.718 -19.441 -13.316 1.00 10.23 C ATOM 390 O LYS A 23 8.974 -20.536 -13.817 1.00 51.32 O ATOM 391 CB LYS A 23 11.018 -19.352 -12.337 1.00 2.41 C ATOM 392 CG LYS A 23 11.840 -19.976 -13.451 1.00 24.32 C ATOM 393 CD LYS A 23 12.192 -21.422 -13.141 1.00 4.52 C ATOM 394 CE LYS A 23 12.304 -22.253 -14.410 1.00 11.41 C ATOM 395 NZ LYS A 23 13.412 -21.781 -15.286 1.00 53.12 N ATOM 0 H LYS A 23 9.457 -16.634 -12.005 1.00 64.32 H new ATOM 0 HA LYS A 23 10.164 -17.907 -13.681 1.00 74.32 H new ATOM 0 HB2 LYS A 23 11.665 -18.719 -11.730 1.00 2.41 H new ATOM 0 HB3 LYS A 23 10.643 -20.142 -11.687 1.00 2.41 H new ATOM 0 HG2 LYS A 23 11.282 -19.929 -14.386 1.00 24.32 H new ATOM 0 HG3 LYS A 23 12.755 -19.401 -13.596 1.00 24.32 H new ATOM 0 HD2 LYS A 23 13.135 -21.459 -12.596 1.00 4.52 H new ATOM 0 HD3 LYS A 23 11.431 -21.851 -12.490 1.00 4.52 H new ATOM 0 HE2 LYS A 23 12.469 -23.298 -14.147 1.00 11.41 H new ATOM 0 HE3 LYS A 23 11.363 -22.207 -14.958 1.00 11.41 H new ATOM 0 HZ1 LYS A 23 13.499 -22.414 -16.107 1.00 53.12 H new ATOM 0 HZ2 LYS A 23 13.208 -20.815 -15.613 1.00 53.12 H new ATOM 0 HZ3 LYS A 23 14.303 -21.784 -14.750 1.00 53.12 H new ATOM 409 N ASP A 24 7.479 -18.990 -13.156 1.00 74.14 N ATOM 410 CA ASP A 24 6.321 -19.773 -13.572 1.00 32.40 C ATOM 411 C ASP A 24 6.206 -19.809 -15.093 1.00 3.13 C ATOM 412 O ASP A 24 5.649 -20.748 -15.661 1.00 64.14 O ATOM 413 CB ASP A 24 5.042 -19.194 -12.965 1.00 71.02 C ATOM 414 CG ASP A 24 3.860 -20.134 -13.100 1.00 52.54 C ATOM 415 OD1 ASP A 24 3.877 -21.204 -12.459 1.00 22.43 O ATOM 416 OD2 ASP A 24 2.918 -19.798 -13.849 1.00 34.33 O ATOM 0 H ASP A 24 7.250 -18.087 -12.741 1.00 74.14 H new ATOM 0 HA ASP A 24 6.455 -20.793 -13.212 1.00 32.40 H new ATOM 0 HB2 ASP A 24 5.210 -18.976 -11.910 1.00 71.02 H new ATOM 0 HB3 ASP A 24 4.808 -18.248 -13.453 1.00 71.02 H new ATOM 421 N ASP A 25 6.736 -18.780 -15.745 1.00 13.21 N ATOM 422 CA ASP A 25 6.693 -18.693 -17.200 1.00 1.10 C ATOM 423 C ASP A 25 5.253 -18.640 -17.699 1.00 75.52 C ATOM 424 O ASP A 25 4.883 -19.351 -18.635 1.00 0.44 O ATOM 425 CB ASP A 25 7.419 -19.885 -17.825 1.00 24.02 C ATOM 426 CG ASP A 25 8.009 -19.557 -19.182 1.00 43.13 C ATOM 427 OD1 ASP A 25 8.531 -18.434 -19.347 1.00 51.03 O ATOM 428 OD2 ASP A 25 7.950 -20.423 -20.080 1.00 22.25 O ATOM 0 H ASP A 25 7.200 -17.995 -15.289 1.00 13.21 H new ATOM 0 HA ASP A 25 7.196 -17.774 -17.499 1.00 1.10 H new ATOM 0 HB2 ASP A 25 8.214 -20.214 -17.156 1.00 24.02 H new ATOM 0 HB3 ASP A 25 6.723 -20.718 -17.926 1.00 24.02 H new ATOM 433 N ASP A 26 4.444 -17.796 -17.069 1.00 33.24 N ATOM 434 CA ASP A 26 3.043 -17.651 -17.449 1.00 3.05 C ATOM 435 C ASP A 26 2.917 -17.242 -18.913 1.00 1.13 C ATOM 436 O ASP A 26 1.905 -17.516 -19.559 1.00 2.13 O ATOM 437 CB ASP A 26 2.355 -16.617 -16.556 1.00 42.10 C ATOM 438 CG ASP A 26 0.892 -16.936 -16.322 1.00 74.24 C ATOM 439 OD1 ASP A 26 0.158 -17.121 -17.316 1.00 42.04 O ATOM 440 OD2 ASP A 26 0.480 -17.002 -15.146 1.00 32.15 O ATOM 0 H ASP A 26 4.734 -17.201 -16.293 1.00 33.24 H new ATOM 0 HA ASP A 26 2.554 -18.616 -17.317 1.00 3.05 H new ATOM 0 HB2 ASP A 26 2.871 -16.569 -15.597 1.00 42.10 H new ATOM 0 HB3 ASP A 26 2.440 -15.632 -17.014 1.00 42.10 H new ATOM 445 N ILE A 27 3.950 -16.584 -19.429 1.00 73.31 N ATOM 446 CA ILE A 27 3.954 -16.138 -20.817 1.00 12.34 C ATOM 447 C ILE A 27 5.126 -16.740 -21.584 1.00 54.15 C ATOM 448 O ILE A 27 6.208 -16.933 -21.032 1.00 71.41 O ATOM 449 CB ILE A 27 4.026 -14.602 -20.914 1.00 32.34 C ATOM 450 CG1 ILE A 27 2.932 -13.963 -20.056 1.00 35.50 C ATOM 451 CG2 ILE A 27 3.899 -14.157 -22.363 1.00 15.34 C ATOM 452 CD1 ILE A 27 3.036 -12.457 -19.967 1.00 74.04 C ATOM 0 H ILE A 27 4.794 -16.348 -18.907 1.00 73.31 H new ATOM 0 HA ILE A 27 3.019 -16.479 -21.261 1.00 12.34 H new ATOM 0 HB ILE A 27 4.995 -14.273 -20.537 1.00 32.34 H new ATOM 0 HG12 ILE A 27 1.958 -14.228 -20.467 1.00 35.50 H new ATOM 0 HG13 ILE A 27 2.979 -14.382 -19.051 1.00 35.50 H new ATOM 0 HG21 ILE A 27 3.952 -13.070 -22.416 1.00 15.34 H new ATOM 0 HG22 ILE A 27 4.711 -14.588 -22.949 1.00 15.34 H new ATOM 0 HG23 ILE A 27 2.943 -14.494 -22.765 1.00 15.34 H new ATOM 0 HD11 ILE A 27 2.229 -12.073 -19.343 1.00 74.04 H new ATOM 0 HD12 ILE A 27 3.995 -12.184 -19.528 1.00 74.04 H new ATOM 0 HD13 ILE A 27 2.959 -12.027 -20.966 1.00 74.04 H new ATOM 1035 N THR A 64 18.503 4.327 -23.959 1.00 5.31 N ATOM 1036 CA THR A 64 17.074 4.512 -23.744 1.00 51.44 C ATOM 1037 C THR A 64 16.535 3.506 -22.734 1.00 12.52 C ATOM 1038 O THR A 64 17.134 2.454 -22.510 1.00 71.32 O ATOM 1039 CB THR A 64 16.286 4.374 -25.060 1.00 73.54 C ATOM 1040 OG1 THR A 64 17.000 3.533 -25.973 1.00 62.31 O ATOM 1041 CG2 THR A 64 16.050 5.735 -25.696 1.00 53.32 C ATOM 0 HA THR A 64 16.941 5.521 -23.353 1.00 51.44 H new ATOM 0 HB THR A 64 15.319 3.925 -24.832 1.00 73.54 H new ATOM 0 HG1 THR A 64 17.891 3.342 -25.613 1.00 62.31 H new ATOM 0 HG21 THR A 64 15.492 5.611 -26.624 1.00 53.32 H new ATOM 0 HG22 THR A 64 15.480 6.363 -25.011 1.00 53.32 H new ATOM 0 HG23 THR A 64 17.009 6.208 -25.910 1.00 53.32 H new ATOM 1049 N LEU A 65 15.401 3.836 -22.126 1.00 35.21 N ATOM 1050 CA LEU A 65 14.779 2.960 -21.138 1.00 64.24 C ATOM 1051 C LEU A 65 13.301 2.750 -21.450 1.00 61.33 C ATOM 1052 O LEU A 65 12.537 3.708 -21.555 1.00 54.23 O ATOM 1053 CB LEU A 65 14.938 3.547 -19.735 1.00 52.50 C ATOM 1054 CG LEU A 65 14.461 4.989 -19.553 1.00 45.14 C ATOM 1055 CD1 LEU A 65 13.769 5.157 -18.210 1.00 11.11 C ATOM 1056 CD2 LEU A 65 15.630 5.956 -19.678 1.00 14.40 C ATOM 0 H LEU A 65 14.893 4.703 -22.299 1.00 35.21 H new ATOM 0 HA LEU A 65 15.281 1.993 -21.179 1.00 64.24 H new ATOM 0 HB2 LEU A 65 14.394 2.914 -19.034 1.00 52.50 H new ATOM 0 HB3 LEU A 65 15.991 3.496 -19.459 1.00 52.50 H new ATOM 0 HG LEU A 65 13.741 5.216 -20.339 1.00 45.14 H new ATOM 0 HD11 LEU A 65 13.437 6.189 -18.099 1.00 11.11 H new ATOM 0 HD12 LEU A 65 12.908 4.491 -18.159 1.00 11.11 H new ATOM 0 HD13 LEU A 65 14.466 4.912 -17.408 1.00 11.11 H new ATOM 0 HD21 LEU A 65 15.273 6.977 -19.546 1.00 14.40 H new ATOM 0 HD22 LEU A 65 16.373 5.730 -18.913 1.00 14.40 H new ATOM 0 HD23 LEU A 65 16.082 5.854 -20.665 1.00 14.40 H new ATOM 1068 N MET A 66 12.906 1.489 -21.595 1.00 54.21 N ATOM 1069 CA MET A 66 11.518 1.153 -21.891 1.00 52.43 C ATOM 1070 C MET A 66 11.253 -0.329 -21.646 1.00 13.42 C ATOM 1071 O MET A 66 11.806 -1.189 -22.330 1.00 72.01 O ATOM 1072 CB MET A 66 11.183 1.510 -23.341 1.00 14.13 C ATOM 1073 CG MET A 66 9.700 1.415 -23.663 1.00 21.42 C ATOM 1074 SD MET A 66 9.273 2.224 -25.216 1.00 42.23 S ATOM 1075 CE MET A 66 8.956 0.805 -26.262 1.00 33.12 C ATOM 0 H MET A 66 13.527 0.684 -21.512 1.00 54.21 H new ATOM 0 HA MET A 66 10.880 1.733 -21.224 1.00 52.43 H new ATOM 0 HB2 MET A 66 11.527 2.524 -23.546 1.00 14.13 H new ATOM 0 HB3 MET A 66 11.734 0.846 -24.007 1.00 14.13 H new ATOM 0 HG2 MET A 66 9.410 0.366 -23.713 1.00 21.42 H new ATOM 0 HG3 MET A 66 9.127 1.866 -22.853 1.00 21.42 H new ATOM 0 HE1 MET A 66 8.162 1.045 -26.970 1.00 33.12 H new ATOM 0 HE2 MET A 66 9.863 0.546 -26.808 1.00 33.12 H new ATOM 0 HE3 MET A 66 8.649 -0.040 -25.646 1.00 33.12 H new ATOM 1085 N MET A 67 10.404 -0.619 -20.665 1.00 51.12 N ATOM 1086 CA MET A 67 10.066 -1.997 -20.331 1.00 33.51 C ATOM 1087 C MET A 67 8.698 -2.074 -19.659 1.00 62.24 C ATOM 1088 O MET A 67 8.400 -1.305 -18.745 1.00 44.25 O ATOM 1089 CB MET A 67 11.132 -2.599 -19.413 1.00 51.41 C ATOM 1090 CG MET A 67 12.312 -3.196 -20.162 1.00 41.43 C ATOM 1091 SD MET A 67 13.810 -2.204 -20.002 1.00 72.51 S ATOM 1092 CE MET A 67 15.067 -3.433 -20.346 1.00 41.25 C ATOM 0 H MET A 67 9.938 0.082 -20.088 1.00 51.12 H new ATOM 0 HA MET A 67 10.029 -2.570 -21.258 1.00 33.51 H new ATOM 0 HB2 MET A 67 11.495 -1.826 -18.736 1.00 51.41 H new ATOM 0 HB3 MET A 67 10.674 -3.373 -18.797 1.00 51.41 H new ATOM 0 HG2 MET A 67 12.505 -4.201 -19.787 1.00 41.43 H new ATOM 0 HG3 MET A 67 12.056 -3.293 -21.217 1.00 41.43 H new ATOM 0 HE1 MET A 67 16.042 -3.049 -20.047 1.00 41.25 H new ATOM 0 HE2 MET A 67 14.848 -4.343 -19.788 1.00 41.25 H new ATOM 0 HE3 MET A 67 15.076 -3.655 -21.413 1.00 41.25 H new ATOM 1102 N PHE A 68 7.870 -3.007 -20.118 1.00 50.44 N ATOM 1103 CA PHE A 68 6.533 -3.182 -19.563 1.00 23.54 C ATOM 1104 C PHE A 68 6.279 -4.645 -19.210 1.00 21.11 C ATOM 1105 O PHE A 68 6.325 -5.521 -20.074 1.00 10.12 O ATOM 1106 CB PHE A 68 5.477 -2.695 -20.556 1.00 13.31 C ATOM 1107 CG PHE A 68 5.832 -1.394 -21.219 1.00 31.45 C ATOM 1108 CD1 PHE A 68 6.283 -0.320 -20.469 1.00 21.13 C ATOM 1109 CD2 PHE A 68 5.715 -1.246 -22.591 1.00 60.42 C ATOM 1110 CE1 PHE A 68 6.610 0.878 -21.076 1.00 32.41 C ATOM 1111 CE2 PHE A 68 6.041 -0.051 -23.204 1.00 73.01 C ATOM 1112 CZ PHE A 68 6.490 1.012 -22.445 1.00 54.03 C ATOM 0 H PHE A 68 8.101 -3.653 -20.873 1.00 50.44 H new ATOM 0 HA PHE A 68 6.465 -2.588 -18.651 1.00 23.54 H new ATOM 0 HB2 PHE A 68 5.332 -3.456 -21.322 1.00 13.31 H new ATOM 0 HB3 PHE A 68 4.526 -2.581 -20.036 1.00 13.31 H new ATOM 0 HD1 PHE A 68 6.380 -0.420 -19.398 1.00 21.13 H new ATOM 0 HD2 PHE A 68 5.365 -2.074 -23.189 1.00 60.42 H new ATOM 0 HE1 PHE A 68 6.959 1.708 -20.480 1.00 32.41 H new ATOM 0 HE2 PHE A 68 5.945 0.051 -24.275 1.00 73.01 H new ATOM 0 HZ PHE A 68 6.747 1.947 -22.922 1.00 54.03 H new ATOM 1122 N VAL A 69 6.011 -4.902 -17.933 1.00 44.14 N ATOM 1123 CA VAL A 69 5.749 -6.258 -17.465 1.00 3.51 C ATOM 1124 C VAL A 69 4.687 -6.265 -16.372 1.00 34.41 C ATOM 1125 O VAL A 69 4.550 -5.303 -15.616 1.00 14.02 O ATOM 1126 CB VAL A 69 7.030 -6.922 -16.925 1.00 73.35 C ATOM 1127 CG1 VAL A 69 6.783 -8.394 -16.629 1.00 45.23 C ATOM 1128 CG2 VAL A 69 8.174 -6.753 -17.913 1.00 62.13 C ATOM 0 H VAL A 69 5.970 -4.189 -17.205 1.00 44.14 H new ATOM 0 HA VAL A 69 5.388 -6.826 -18.323 1.00 3.51 H new ATOM 0 HB VAL A 69 7.310 -6.430 -15.993 1.00 73.35 H new ATOM 0 HG11 VAL A 69 7.698 -8.847 -16.248 1.00 45.23 H new ATOM 0 HG12 VAL A 69 5.994 -8.488 -15.883 1.00 45.23 H new ATOM 0 HG13 VAL A 69 6.479 -8.903 -17.544 1.00 45.23 H new ATOM 0 HG21 VAL A 69 9.071 -7.228 -17.516 1.00 62.13 H new ATOM 0 HG22 VAL A 69 7.907 -7.218 -18.862 1.00 62.13 H new ATOM 0 HG23 VAL A 69 8.365 -5.691 -18.071 1.00 62.13 H new ATOM 1138 N THR A 70 3.935 -7.359 -16.293 1.00 33.01 N ATOM 1139 CA THR A 70 2.883 -7.493 -15.293 1.00 1.12 C ATOM 1140 C THR A 70 2.314 -8.907 -15.279 1.00 62.11 C ATOM 1141 O THR A 70 1.242 -9.161 -15.827 1.00 75.01 O ATOM 1142 CB THR A 70 1.738 -6.494 -15.544 1.00 41.34 C ATOM 1143 OG1 THR A 70 0.618 -6.812 -14.711 1.00 2.13 O ATOM 1144 CG2 THR A 70 1.312 -6.515 -17.005 1.00 22.24 C ATOM 0 H THR A 70 4.035 -8.165 -16.910 1.00 33.01 H new ATOM 0 HA THR A 70 3.338 -7.278 -14.326 1.00 1.12 H new ATOM 0 HB THR A 70 2.098 -5.494 -15.301 1.00 41.34 H new ATOM 0 HG1 THR A 70 -0.105 -6.171 -14.876 1.00 2.13 H new ATOM 0 HG21 THR A 70 0.502 -5.802 -17.158 1.00 22.24 H new ATOM 0 HG22 THR A 70 2.159 -6.243 -17.635 1.00 22.24 H new ATOM 0 HG23 THR A 70 0.969 -7.515 -17.270 1.00 22.24 H new ATOM 1152 N VAL A 71 3.039 -9.826 -14.648 1.00 43.45 N ATOM 1153 CA VAL A 71 2.606 -11.215 -14.562 1.00 14.13 C ATOM 1154 C VAL A 71 3.523 -12.021 -13.649 1.00 12.01 C ATOM 1155 O VAL A 71 4.649 -11.612 -13.365 1.00 73.13 O ATOM 1156 CB VAL A 71 2.569 -11.879 -15.951 1.00 20.22 C ATOM 1157 CG1 VAL A 71 3.978 -12.193 -16.430 1.00 21.51 C ATOM 1158 CG2 VAL A 71 1.716 -13.138 -15.917 1.00 35.04 C ATOM 0 H VAL A 71 3.929 -9.633 -14.189 1.00 43.45 H new ATOM 0 HA VAL A 71 1.599 -11.207 -14.145 1.00 14.13 H new ATOM 0 HB VAL A 71 2.118 -11.181 -16.656 1.00 20.22 H new ATOM 0 HG11 VAL A 71 3.932 -12.662 -17.413 1.00 21.51 H new ATOM 0 HG12 VAL A 71 4.554 -11.270 -16.495 1.00 21.51 H new ATOM 0 HG13 VAL A 71 4.459 -12.872 -15.726 1.00 21.51 H new ATOM 0 HG21 VAL A 71 1.701 -13.594 -16.907 1.00 35.04 H new ATOM 0 HG22 VAL A 71 2.136 -13.843 -15.199 1.00 35.04 H new ATOM 0 HG23 VAL A 71 0.699 -12.881 -15.621 1.00 35.04 H new ATOM 1168 N SER A 72 3.033 -13.169 -13.192 1.00 24.20 N ATOM 1169 CA SER A 72 3.808 -14.032 -12.308 1.00 31.31 C ATOM 1170 C SER A 72 4.757 -14.919 -13.109 1.00 34.13 C ATOM 1171 O SER A 72 4.326 -15.711 -13.946 1.00 20.22 O ATOM 1172 CB SER A 72 2.875 -14.899 -11.461 1.00 34.24 C ATOM 1173 OG SER A 72 1.845 -15.465 -12.253 1.00 31.11 O ATOM 0 H SER A 72 2.104 -13.523 -13.419 1.00 24.20 H new ATOM 0 HA SER A 72 4.401 -13.397 -11.649 1.00 31.31 H new ATOM 0 HB2 SER A 72 3.447 -15.693 -10.981 1.00 34.24 H new ATOM 0 HB3 SER A 72 2.437 -14.297 -10.665 1.00 34.24 H new ATOM 0 HG SER A 72 2.224 -15.797 -13.094 1.00 31.11 H new ATOM 1179 N GLY A 73 6.052 -14.779 -12.845 1.00 3.03 N ATOM 1180 CA GLY A 73 7.043 -15.573 -13.548 1.00 52.44 C ATOM 1181 C GLY A 73 7.741 -14.791 -14.643 1.00 51.33 C ATOM 1182 O GLY A 73 7.148 -14.499 -15.681 1.00 43.20 O ATOM 0 H GLY A 73 6.433 -14.130 -12.157 1.00 3.03 H new ATOM 0 HA2 GLY A 73 7.784 -15.937 -12.836 1.00 52.44 H new ATOM 0 HA3 GLY A 73 6.561 -16.449 -13.982 1.00 52.44 H new ATOM 1186 N ASN A 74 9.004 -14.449 -14.411 1.00 62.30 N ATOM 1187 CA ASN A 74 9.783 -13.694 -15.385 1.00 44.04 C ATOM 1188 C ASN A 74 11.251 -13.626 -14.974 1.00 32.14 C ATOM 1189 O ASN A 74 11.748 -12.594 -14.523 1.00 51.53 O ATOM 1190 CB ASN A 74 9.218 -12.280 -15.536 1.00 23.13 C ATOM 1191 CG ASN A 74 8.277 -12.156 -16.718 1.00 72.41 C ATOM 1192 OD1 ASN A 74 8.635 -12.488 -17.848 1.00 71.22 O ATOM 1193 ND2 ASN A 74 7.065 -11.676 -16.462 1.00 24.51 N ATOM 0 H ASN A 74 9.510 -14.683 -13.557 1.00 62.30 H new ATOM 0 HA ASN A 74 9.716 -14.209 -16.343 1.00 44.04 H new ATOM 0 HB2 ASN A 74 8.689 -12.004 -14.624 1.00 23.13 H new ATOM 0 HB3 ASN A 74 10.040 -11.574 -15.654 1.00 23.13 H new ATOM 0 HD21 ASN A 74 6.388 -11.570 -17.218 1.00 24.51 H new ATOM 0 HD22 ASN A 74 6.811 -11.413 -15.510 1.00 24.51 H new ATOM 1200 N PRO A 75 11.962 -14.752 -15.131 1.00 64.13 N ATOM 1201 CA PRO A 75 13.383 -14.846 -14.783 1.00 42.01 C ATOM 1202 C PRO A 75 14.266 -14.039 -15.729 1.00 24.22 C ATOM 1203 O PRO A 75 14.588 -14.488 -16.830 1.00 13.41 O ATOM 1204 CB PRO A 75 13.683 -16.341 -14.916 1.00 60.14 C ATOM 1205 CG PRO A 75 12.672 -16.845 -15.887 1.00 74.21 C ATOM 1206 CD PRO A 75 11.435 -16.020 -15.662 1.00 73.22 C ATOM 0 HA PRO A 75 13.587 -14.443 -13.791 1.00 42.01 H new ATOM 0 HB2 PRO A 75 14.697 -16.511 -15.277 1.00 60.14 H new ATOM 0 HB3 PRO A 75 13.597 -16.849 -13.955 1.00 60.14 H new ATOM 0 HG2 PRO A 75 13.029 -16.741 -16.912 1.00 74.21 H new ATOM 0 HG3 PRO A 75 12.470 -17.904 -15.726 1.00 74.21 H new ATOM 0 HD2 PRO A 75 10.880 -15.868 -16.588 1.00 73.22 H new ATOM 0 HD3 PRO A 75 10.755 -16.499 -14.957 1.00 73.22 H new ATOM 1214 N THR A 76 14.657 -12.846 -15.293 1.00 2.34 N ATOM 1215 CA THR A 76 15.503 -11.976 -16.101 1.00 32.05 C ATOM 1216 C THR A 76 16.307 -11.023 -15.224 1.00 50.52 C ATOM 1217 O THR A 76 16.425 -9.836 -15.529 1.00 20.22 O ATOM 1218 CB THR A 76 14.669 -11.155 -17.102 1.00 43.14 C ATOM 1219 OG1 THR A 76 13.498 -10.639 -16.459 1.00 65.41 O ATOM 1220 CG2 THR A 76 14.265 -12.007 -18.296 1.00 51.31 C ATOM 0 H THR A 76 14.401 -12.460 -14.384 1.00 2.34 H new ATOM 0 HA THR A 76 16.186 -12.622 -16.652 1.00 32.05 H new ATOM 0 HB THR A 76 15.282 -10.326 -17.457 1.00 43.14 H new ATOM 0 HG1 THR A 76 13.762 -10.038 -15.732 1.00 65.41 H new ATOM 0 HG21 THR A 76 13.677 -11.406 -18.989 1.00 51.31 H new ATOM 0 HG22 THR A 76 15.159 -12.373 -18.801 1.00 51.31 H new ATOM 0 HG23 THR A 76 13.669 -12.853 -17.954 1.00 51.31 H new ATOM 1228 N GLU A 77 16.859 -11.549 -14.136 1.00 33.55 N ATOM 1229 CA GLU A 77 17.652 -10.743 -13.215 1.00 60.23 C ATOM 1230 C GLU A 77 18.759 -10.001 -13.958 1.00 50.43 C ATOM 1231 O GLU A 77 18.883 -8.780 -13.853 1.00 71.20 O ATOM 1232 CB GLU A 77 18.259 -11.625 -12.123 1.00 22.55 C ATOM 1233 CG GLU A 77 19.273 -10.904 -11.251 1.00 1.41 C ATOM 1234 CD GLU A 77 19.849 -11.794 -10.167 1.00 45.11 C ATOM 1235 OE1 GLU A 77 19.221 -12.825 -9.849 1.00 10.23 O ATOM 1236 OE2 GLU A 77 20.930 -11.459 -9.638 1.00 31.14 O ATOM 0 H GLU A 77 16.772 -12.530 -13.870 1.00 33.55 H new ATOM 0 HA GLU A 77 16.992 -10.009 -12.753 1.00 60.23 H new ATOM 0 HB2 GLU A 77 17.458 -12.010 -11.492 1.00 22.55 H new ATOM 0 HB3 GLU A 77 18.739 -12.486 -12.588 1.00 22.55 H new ATOM 0 HG2 GLU A 77 20.083 -10.529 -11.877 1.00 1.41 H new ATOM 0 HG3 GLU A 77 18.799 -10.037 -10.790 1.00 1.41 H new ATOM 1243 N LYS A 78 19.562 -10.746 -14.709 1.00 63.15 N ATOM 1244 CA LYS A 78 20.659 -10.161 -15.471 1.00 42.14 C ATOM 1245 C LYS A 78 20.167 -8.999 -16.328 1.00 42.04 C ATOM 1246 O LYS A 78 20.768 -7.925 -16.337 1.00 62.34 O ATOM 1247 CB LYS A 78 21.314 -11.222 -16.359 1.00 52.20 C ATOM 1248 CG LYS A 78 20.324 -11.993 -17.215 1.00 65.50 C ATOM 1249 CD LYS A 78 20.988 -13.171 -17.910 1.00 12.22 C ATOM 1250 CE LYS A 78 20.442 -14.497 -17.402 1.00 44.14 C ATOM 1251 NZ LYS A 78 21.489 -15.556 -17.383 1.00 21.01 N ATOM 0 H LYS A 78 19.474 -11.757 -14.807 1.00 63.15 H new ATOM 0 HA LYS A 78 21.397 -9.782 -14.764 1.00 42.14 H new ATOM 0 HB2 LYS A 78 22.045 -10.740 -17.008 1.00 52.20 H new ATOM 0 HB3 LYS A 78 21.861 -11.924 -15.729 1.00 52.20 H new ATOM 0 HG2 LYS A 78 19.505 -12.351 -16.592 1.00 65.50 H new ATOM 0 HG3 LYS A 78 19.890 -11.327 -17.961 1.00 65.50 H new ATOM 0 HD2 LYS A 78 20.827 -13.098 -18.986 1.00 12.22 H new ATOM 0 HD3 LYS A 78 22.065 -13.132 -17.745 1.00 12.22 H new ATOM 0 HE2 LYS A 78 20.041 -14.364 -16.397 1.00 44.14 H new ATOM 0 HE3 LYS A 78 19.614 -14.816 -18.035 1.00 44.14 H new ATOM 0 HZ1 LYS A 78 21.078 -16.444 -17.031 1.00 21.01 H new ATOM 0 HZ2 LYS A 78 21.854 -15.701 -18.346 1.00 21.01 H new ATOM 0 HZ3 LYS A 78 22.267 -15.263 -16.759 1.00 21.01 H new ATOM 1265 N GLU A 79 19.070 -9.221 -17.046 1.00 23.42 N ATOM 1266 CA GLU A 79 18.498 -8.191 -17.905 1.00 64.51 C ATOM 1267 C GLU A 79 18.065 -6.979 -17.086 1.00 52.13 C ATOM 1268 O GLU A 79 18.202 -5.837 -17.526 1.00 2.43 O ATOM 1269 CB GLU A 79 17.304 -8.749 -18.682 1.00 62.41 C ATOM 1270 CG GLU A 79 17.495 -8.728 -20.189 1.00 63.44 C ATOM 1271 CD GLU A 79 16.212 -9.015 -20.944 1.00 54.42 C ATOM 1272 OE1 GLU A 79 15.411 -9.842 -20.460 1.00 65.40 O ATOM 1273 OE2 GLU A 79 16.007 -8.412 -22.018 1.00 42.43 O ATOM 0 H GLU A 79 18.560 -10.104 -17.050 1.00 23.42 H new ATOM 0 HA GLU A 79 19.266 -7.875 -18.611 1.00 64.51 H new ATOM 0 HB2 GLU A 79 17.120 -9.775 -18.362 1.00 62.41 H new ATOM 0 HB3 GLU A 79 16.415 -8.172 -18.429 1.00 62.41 H new ATOM 0 HG2 GLU A 79 17.878 -7.753 -20.489 1.00 63.44 H new ATOM 0 HG3 GLU A 79 18.248 -9.466 -20.466 1.00 63.44 H new ATOM 1280 N THR A 80 17.539 -7.235 -15.892 1.00 64.53 N ATOM 1281 CA THR A 80 17.084 -6.167 -15.012 1.00 53.02 C ATOM 1282 C THR A 80 18.220 -5.206 -14.680 1.00 74.12 C ATOM 1283 O THR A 80 18.056 -3.989 -14.754 1.00 13.24 O ATOM 1284 CB THR A 80 16.502 -6.729 -13.701 1.00 40.32 C ATOM 1285 OG1 THR A 80 15.493 -7.702 -13.991 1.00 32.44 O ATOM 1286 CG2 THR A 80 15.910 -5.615 -12.851 1.00 2.13 C ATOM 0 H THR A 80 17.418 -8.174 -15.513 1.00 64.53 H new ATOM 0 HA THR A 80 16.302 -5.629 -15.547 1.00 53.02 H new ATOM 0 HB THR A 80 17.311 -7.200 -13.142 1.00 40.32 H new ATOM 0 HG1 THR A 80 15.906 -8.488 -14.406 1.00 32.44 H new ATOM 0 HG21 THR A 80 15.505 -6.036 -11.931 1.00 2.13 H new ATOM 0 HG22 THR A 80 16.687 -4.891 -12.608 1.00 2.13 H new ATOM 0 HG23 THR A 80 15.113 -5.119 -13.405 1.00 2.13 H new ATOM 1294 N GLU A 81 19.371 -5.761 -14.316 1.00 21.53 N ATOM 1295 CA GLU A 81 20.534 -4.952 -13.972 1.00 42.35 C ATOM 1296 C GLU A 81 20.849 -3.954 -15.083 1.00 1.40 C ATOM 1297 O GLU A 81 21.158 -2.792 -14.818 1.00 35.31 O ATOM 1298 CB GLU A 81 21.749 -5.846 -13.716 1.00 73.44 C ATOM 1299 CG GLU A 81 22.576 -5.420 -12.515 1.00 62.44 C ATOM 1300 CD GLU A 81 24.054 -5.309 -12.835 1.00 63.22 C ATOM 1301 OE1 GLU A 81 24.586 -6.220 -13.504 1.00 21.21 O ATOM 1302 OE2 GLU A 81 24.679 -4.312 -12.417 1.00 61.20 O ATOM 0 H GLU A 81 19.523 -6.768 -14.252 1.00 21.53 H new ATOM 0 HA GLU A 81 20.302 -4.398 -13.062 1.00 42.35 H new ATOM 0 HB2 GLU A 81 21.410 -6.871 -13.568 1.00 73.44 H new ATOM 0 HB3 GLU A 81 22.384 -5.845 -14.602 1.00 73.44 H new ATOM 0 HG2 GLU A 81 22.213 -4.458 -12.151 1.00 62.44 H new ATOM 0 HG3 GLU A 81 22.436 -6.139 -11.708 1.00 62.44 H new ATOM 1309 N GLU A 82 20.769 -4.416 -16.327 1.00 21.23 N ATOM 1310 CA GLU A 82 21.047 -3.564 -17.477 1.00 70.52 C ATOM 1311 C GLU A 82 20.137 -2.339 -17.479 1.00 64.23 C ATOM 1312 O GLU A 82 20.487 -1.295 -18.030 1.00 2.33 O ATOM 1313 CB GLU A 82 20.865 -4.350 -18.777 1.00 62.44 C ATOM 1314 CG GLU A 82 22.073 -4.293 -19.697 1.00 64.40 C ATOM 1315 CD GLU A 82 22.741 -5.644 -19.868 1.00 32.32 C ATOM 1316 OE1 GLU A 82 23.142 -6.242 -18.847 1.00 54.14 O ATOM 1317 OE2 GLU A 82 22.862 -6.104 -21.023 1.00 12.31 O ATOM 0 H GLU A 82 20.514 -5.375 -16.564 1.00 21.23 H new ATOM 0 HA GLU A 82 22.081 -3.227 -17.406 1.00 70.52 H new ATOM 0 HB2 GLU A 82 20.652 -5.391 -18.535 1.00 62.44 H new ATOM 0 HB3 GLU A 82 19.996 -3.962 -19.308 1.00 62.44 H new ATOM 0 HG2 GLU A 82 21.764 -3.918 -20.673 1.00 64.40 H new ATOM 0 HG3 GLU A 82 22.796 -3.582 -19.297 1.00 64.40 H new ATOM 1324 N ILE A 83 18.969 -2.476 -16.861 1.00 4.32 N ATOM 1325 CA ILE A 83 18.010 -1.381 -16.791 1.00 1.42 C ATOM 1326 C ILE A 83 18.553 -0.226 -15.955 1.00 64.42 C ATOM 1327 O ILE A 83 18.292 0.942 -16.245 1.00 23.23 O ATOM 1328 CB ILE A 83 16.668 -1.845 -16.194 1.00 5.34 C ATOM 1329 CG1 ILE A 83 16.161 -3.088 -16.928 1.00 4.32 C ATOM 1330 CG2 ILE A 83 15.641 -0.725 -16.265 1.00 42.21 C ATOM 1331 CD1 ILE A 83 14.865 -3.632 -16.370 1.00 51.01 C ATOM 0 H ILE A 83 18.664 -3.334 -16.402 1.00 4.32 H new ATOM 0 HA ILE A 83 17.846 -1.040 -17.813 1.00 1.42 H new ATOM 0 HB ILE A 83 16.823 -2.103 -15.146 1.00 5.34 H new ATOM 0 HG12 ILE A 83 16.020 -2.846 -17.981 1.00 4.32 H new ATOM 0 HG13 ILE A 83 16.923 -3.866 -16.879 1.00 4.32 H new ATOM 0 HG21 ILE A 83 14.698 -1.068 -15.839 1.00 42.21 H new ATOM 0 HG22 ILE A 83 16.002 0.136 -15.701 1.00 42.21 H new ATOM 0 HG23 ILE A 83 15.486 -0.438 -17.305 1.00 42.21 H new ATOM 0 HD11 ILE A 83 14.565 -4.512 -16.938 1.00 51.01 H new ATOM 0 HD12 ILE A 83 15.006 -3.906 -15.324 1.00 51.01 H new ATOM 0 HD13 ILE A 83 14.089 -2.870 -16.444 1.00 51.01 H new ATOM 1343 N THR A 84 19.313 -0.561 -14.917 1.00 0.03 N ATOM 1344 CA THR A 84 19.894 0.447 -14.039 1.00 25.20 C ATOM 1345 C THR A 84 20.633 1.513 -14.840 1.00 10.24 C ATOM 1346 O THR A 84 20.517 2.706 -14.558 1.00 23.24 O ATOM 1347 CB THR A 84 20.868 -0.185 -13.026 1.00 42.22 C ATOM 1348 OG1 THR A 84 20.172 -1.121 -12.196 1.00 63.41 O ATOM 1349 CG2 THR A 84 21.516 0.884 -12.160 1.00 4.43 C ATOM 0 H THR A 84 19.540 -1.523 -14.664 1.00 0.03 H new ATOM 0 HA THR A 84 19.068 0.910 -13.498 1.00 25.20 H new ATOM 0 HB THR A 84 21.650 -0.704 -13.581 1.00 42.22 H new ATOM 0 HG1 THR A 84 19.342 -1.396 -12.638 1.00 63.41 H new ATOM 0 HG21 THR A 84 22.199 0.414 -11.453 1.00 4.43 H new ATOM 0 HG22 THR A 84 22.069 1.579 -12.792 1.00 4.43 H new ATOM 0 HG23 THR A 84 20.745 1.427 -11.614 1.00 4.43 H new ATOM 1357 N SER A 85 21.392 1.076 -15.840 1.00 14.32 N ATOM 1358 CA SER A 85 22.152 1.994 -16.680 1.00 11.21 C ATOM 1359 C SER A 85 21.219 2.909 -17.468 1.00 10.15 C ATOM 1360 O SER A 85 21.387 4.129 -17.475 1.00 0.33 O ATOM 1361 CB SER A 85 23.051 1.214 -17.641 1.00 74.21 C ATOM 1362 OG SER A 85 24.042 0.488 -16.936 1.00 23.41 O ATOM 0 H SER A 85 21.497 0.092 -16.088 1.00 14.32 H new ATOM 0 HA SER A 85 22.774 2.610 -16.031 1.00 11.21 H new ATOM 0 HB2 SER A 85 22.446 0.528 -18.234 1.00 74.21 H new ATOM 0 HB3 SER A 85 23.528 1.903 -18.338 1.00 74.21 H new ATOM 0 HG SER A 85 24.602 -0.003 -17.572 1.00 23.41 H new ATOM 1368 N LEU A 86 20.235 2.311 -18.130 1.00 41.11 N ATOM 1369 CA LEU A 86 19.274 3.071 -18.922 1.00 73.40 C ATOM 1370 C LEU A 86 18.631 4.173 -18.087 1.00 50.50 C ATOM 1371 O LEU A 86 18.221 5.207 -18.616 1.00 30.31 O ATOM 1372 CB LEU A 86 18.194 2.141 -19.478 1.00 53.01 C ATOM 1373 CG LEU A 86 18.688 0.839 -20.108 1.00 24.50 C ATOM 1374 CD1 LEU A 86 17.529 0.066 -20.717 1.00 34.33 C ATOM 1375 CD2 LEU A 86 19.751 1.124 -21.159 1.00 3.32 C ATOM 0 H LEU A 86 20.081 1.303 -18.134 1.00 41.11 H new ATOM 0 HA LEU A 86 19.809 3.534 -19.751 1.00 73.40 H new ATOM 0 HB2 LEU A 86 17.506 1.892 -18.670 1.00 53.01 H new ATOM 0 HB3 LEU A 86 17.621 2.689 -20.226 1.00 53.01 H new ATOM 0 HG LEU A 86 19.134 0.227 -19.325 1.00 24.50 H new ATOM 0 HD11 LEU A 86 17.901 -0.858 -21.161 1.00 34.33 H new ATOM 0 HD12 LEU A 86 16.802 -0.171 -19.940 1.00 34.33 H new ATOM 0 HD13 LEU A 86 17.052 0.672 -21.487 1.00 34.33 H new ATOM 0 HD21 LEU A 86 20.091 0.185 -21.597 1.00 3.32 H new ATOM 0 HD22 LEU A 86 19.330 1.757 -21.940 1.00 3.32 H new ATOM 0 HD23 LEU A 86 20.595 1.634 -20.694 1.00 3.32 H new ATOM 1387 N TRP A 87 18.549 3.947 -16.781 1.00 54.30 N ATOM 1388 CA TRP A 87 17.958 4.923 -15.872 1.00 54.33 C ATOM 1389 C TRP A 87 18.588 6.298 -16.066 1.00 13.15 C ATOM 1390 O TRP A 87 17.886 7.306 -16.139 1.00 41.53 O ATOM 1391 CB TRP A 87 18.129 4.469 -14.422 1.00 0.32 C ATOM 1392 CG TRP A 87 17.051 4.972 -13.511 1.00 14.24 C ATOM 1393 CD1 TRP A 87 16.086 5.891 -13.811 1.00 71.04 C ATOM 1394 CD2 TRP A 87 16.829 4.585 -12.150 1.00 52.41 C ATOM 1395 NE1 TRP A 87 15.278 6.099 -12.720 1.00 32.34 N ATOM 1396 CE2 TRP A 87 15.712 5.309 -11.688 1.00 50.00 C ATOM 1397 CE3 TRP A 87 17.463 3.697 -11.278 1.00 23.01 C ATOM 1398 CZ2 TRP A 87 15.220 5.171 -10.393 1.00 74.30 C ATOM 1399 CZ3 TRP A 87 16.974 3.561 -9.993 1.00 13.12 C ATOM 1400 CH2 TRP A 87 15.860 4.294 -9.560 1.00 64.04 C ATOM 0 H TRP A 87 18.884 3.097 -16.328 1.00 54.30 H new ATOM 0 HA TRP A 87 16.894 4.996 -16.098 1.00 54.33 H new ATOM 0 HB2 TRP A 87 18.143 3.380 -14.389 1.00 0.32 H new ATOM 0 HB3 TRP A 87 19.096 4.812 -14.053 1.00 0.32 H new ATOM 0 HD1 TRP A 87 15.975 6.382 -14.766 1.00 71.04 H new ATOM 0 HE1 TRP A 87 14.484 6.738 -12.684 1.00 32.34 H new ATOM 0 HE3 TRP A 87 18.321 3.127 -11.603 1.00 23.01 H new ATOM 0 HZ2 TRP A 87 14.363 5.736 -10.058 1.00 74.30 H new ATOM 0 HZ3 TRP A 87 17.458 2.878 -9.310 1.00 13.12 H new ATOM 0 HH2 TRP A 87 15.500 4.164 -8.550 1.00 64.04 H new ATOM 1411 N GLN A 88 19.914 6.331 -16.147 1.00 31.53 N ATOM 1412 CA GLN A 88 20.637 7.583 -16.331 1.00 1.20 C ATOM 1413 C GLN A 88 20.079 8.364 -17.516 1.00 45.42 C ATOM 1414 O GLN A 88 19.949 9.586 -17.461 1.00 15.43 O ATOM 1415 CB GLN A 88 22.127 7.310 -16.541 1.00 5.03 C ATOM 1416 CG GLN A 88 23.033 8.225 -15.732 1.00 63.41 C ATOM 1417 CD GLN A 88 24.029 7.458 -14.883 1.00 53.44 C ATOM 1418 OE1 GLN A 88 25.229 7.459 -15.160 1.00 55.33 O ATOM 1419 NE2 GLN A 88 23.535 6.799 -13.842 1.00 70.31 N ATOM 0 H GLN A 88 20.509 5.505 -16.088 1.00 31.53 H new ATOM 0 HA GLN A 88 20.509 8.183 -15.430 1.00 1.20 H new ATOM 0 HB2 GLN A 88 22.339 6.274 -16.275 1.00 5.03 H new ATOM 0 HB3 GLN A 88 22.363 7.422 -17.599 1.00 5.03 H new ATOM 0 HG2 GLN A 88 23.572 8.887 -16.409 1.00 63.41 H new ATOM 0 HG3 GLN A 88 22.422 8.857 -15.087 1.00 63.41 H new ATOM 0 HE21 GLN A 88 22.534 6.826 -13.650 1.00 70.31 H new ATOM 0 HE22 GLN A 88 24.157 6.266 -13.234 1.00 70.31 H new ATOM 1428 N GLY A 89 19.753 7.650 -18.589 1.00 34.11 N ATOM 1429 CA GLY A 89 19.213 8.293 -19.773 1.00 4.33 C ATOM 1430 C GLY A 89 17.965 9.100 -19.476 1.00 74.33 C ATOM 1431 O GLY A 89 17.815 10.224 -19.956 1.00 31.54 O ATOM 0 H GLY A 89 19.853 6.637 -18.660 1.00 34.11 H new ATOM 0 HA2 GLY A 89 19.971 8.947 -20.205 1.00 4.33 H new ATOM 0 HA3 GLY A 89 18.982 7.535 -20.521 1.00 4.33 H new ATOM 1435 N SER A 90 17.064 8.525 -18.685 1.00 65.53 N ATOM 1436 CA SER A 90 15.819 9.195 -18.330 1.00 42.12 C ATOM 1437 C SER A 90 16.097 10.544 -17.674 1.00 52.32 C ATOM 1438 O SER A 90 15.301 11.478 -17.787 1.00 3.03 O ATOM 1439 CB SER A 90 14.993 8.317 -17.388 1.00 3.41 C ATOM 1440 OG SER A 90 14.200 9.107 -16.519 1.00 52.55 O ATOM 0 H SER A 90 17.174 7.596 -18.278 1.00 65.53 H new ATOM 0 HA SER A 90 15.253 9.365 -19.246 1.00 42.12 H new ATOM 0 HB2 SER A 90 14.351 7.656 -17.971 1.00 3.41 H new ATOM 0 HB3 SER A 90 15.657 7.681 -16.802 1.00 3.41 H new ATOM 0 HG SER A 90 13.348 9.317 -16.955 1.00 52.55 H new ATOM 1446 N LEU A 91 17.231 10.639 -16.989 1.00 14.53 N ATOM 1447 CA LEU A 91 17.615 11.874 -16.314 1.00 2.14 C ATOM 1448 C LEU A 91 17.545 13.062 -17.268 1.00 70.54 C ATOM 1449 O LEU A 91 16.848 14.042 -17.006 1.00 71.04 O ATOM 1450 CB LEU A 91 19.029 11.747 -15.742 1.00 54.34 C ATOM 1451 CG LEU A 91 19.347 12.631 -14.536 1.00 12.30 C ATOM 1452 CD1 LEU A 91 20.726 12.305 -13.984 1.00 52.00 C ATOM 1453 CD2 LEU A 91 19.256 14.103 -14.914 1.00 60.51 C ATOM 0 H LEU A 91 17.900 9.876 -16.886 1.00 14.53 H new ATOM 0 HA LEU A 91 16.913 12.046 -15.498 1.00 2.14 H new ATOM 0 HB2 LEU A 91 19.193 10.707 -15.458 1.00 54.34 H new ATOM 0 HB3 LEU A 91 19.742 11.977 -16.534 1.00 54.34 H new ATOM 0 HG LEU A 91 18.610 12.430 -13.758 1.00 12.30 H new ATOM 0 HD11 LEU A 91 20.935 12.944 -13.126 1.00 52.00 H new ATOM 0 HD12 LEU A 91 20.756 11.260 -13.674 1.00 52.00 H new ATOM 0 HD13 LEU A 91 21.477 12.477 -14.756 1.00 52.00 H new ATOM 0 HD21 LEU A 91 19.485 14.717 -14.043 1.00 60.51 H new ATOM 0 HD22 LEU A 91 19.970 14.319 -15.709 1.00 60.51 H new ATOM 0 HD23 LEU A 91 18.247 14.328 -15.261 1.00 60.51 H new ATOM 1465 N PHE A 92 18.270 12.966 -18.378 1.00 30.40 N ATOM 1466 CA PHE A 92 18.289 14.031 -19.373 1.00 41.32 C ATOM 1467 C PHE A 92 16.882 14.322 -19.886 1.00 73.22 C ATOM 1468 O PHE A 92 16.545 15.465 -20.193 1.00 21.42 O ATOM 1469 CB PHE A 92 19.201 13.651 -20.541 1.00 64.12 C ATOM 1470 CG PHE A 92 19.278 14.704 -21.610 1.00 32.33 C ATOM 1471 CD1 PHE A 92 18.311 14.777 -22.599 1.00 53.01 C ATOM 1472 CD2 PHE A 92 20.317 15.620 -21.625 1.00 23.21 C ATOM 1473 CE1 PHE A 92 18.378 15.745 -23.584 1.00 31.14 C ATOM 1474 CE2 PHE A 92 20.389 16.590 -22.606 1.00 44.15 C ATOM 1475 CZ PHE A 92 19.419 16.652 -23.588 1.00 23.12 C ATOM 0 H PHE A 92 18.852 12.161 -18.611 1.00 30.40 H new ATOM 0 HA PHE A 92 18.676 14.932 -18.897 1.00 41.32 H new ATOM 0 HB2 PHE A 92 20.204 13.457 -20.160 1.00 64.12 H new ATOM 0 HB3 PHE A 92 18.843 12.721 -20.983 1.00 64.12 H new ATOM 0 HD1 PHE A 92 17.495 14.069 -22.601 1.00 53.01 H new ATOM 0 HD2 PHE A 92 21.079 15.575 -20.861 1.00 23.21 H new ATOM 0 HE1 PHE A 92 17.617 15.792 -24.349 1.00 31.14 H new ATOM 0 HE2 PHE A 92 21.203 17.300 -22.605 1.00 44.15 H new ATOM 0 HZ PHE A 92 19.475 17.408 -24.357 1.00 23.12 H new ATOM 1485 N ASN A 93 16.064 13.278 -19.977 1.00 22.31 N ATOM 1486 CA ASN A 93 14.693 13.420 -20.454 1.00 23.43 C ATOM 1487 C ASN A 93 13.901 14.366 -19.557 1.00 73.10 C ATOM 1488 O ASN A 93 13.403 15.396 -20.011 1.00 34.33 O ATOM 1489 CB ASN A 93 14.006 12.054 -20.507 1.00 32.23 C ATOM 1490 CG ASN A 93 12.820 12.040 -21.453 1.00 24.54 C ATOM 1491 OD1 ASN A 93 12.875 11.437 -22.525 1.00 31.24 O ATOM 1492 ND2 ASN A 93 11.741 12.706 -21.059 1.00 23.34 N ATOM 0 H ASN A 93 16.327 12.325 -19.727 1.00 22.31 H new ATOM 0 HA ASN A 93 14.725 13.842 -21.458 1.00 23.43 H new ATOM 0 HB2 ASN A 93 14.727 11.300 -20.821 1.00 32.23 H new ATOM 0 HB3 ASN A 93 13.673 11.779 -19.506 1.00 32.23 H new ATOM 0 HD21 ASN A 93 10.913 12.732 -21.653 1.00 23.34 H new ATOM 0 HD22 ASN A 93 11.741 13.191 -20.162 1.00 23.34 H new ATOM 1499 N ALA A 94 13.789 14.009 -18.282 1.00 11.13 N ATOM 1500 CA ALA A 94 13.060 14.827 -17.321 1.00 13.13 C ATOM 1501 C ALA A 94 13.724 14.785 -15.949 1.00 13.35 C ATOM 1502 O ALA A 94 14.424 15.719 -15.559 1.00 35.23 O ATOM 1503 CB ALA A 94 11.613 14.364 -17.224 1.00 5.34 C ATOM 0 H ALA A 94 14.194 13.159 -17.891 1.00 11.13 H new ATOM 0 HA ALA A 94 13.077 15.859 -17.672 1.00 13.13 H new ATOM 0 HB1 ALA A 94 11.080 14.984 -16.503 1.00 5.34 H new ATOM 0 HB2 ALA A 94 11.136 14.452 -18.200 1.00 5.34 H new ATOM 0 HB3 ALA A 94 11.585 13.324 -16.899 1.00 5.34 H new ATOM 1509 N ASN A 95 13.498 13.696 -15.220 1.00 45.53 N ATOM 1510 CA ASN A 95 14.074 13.534 -13.890 1.00 44.03 C ATOM 1511 C ASN A 95 13.721 12.169 -13.307 1.00 54.23 C ATOM 1512 O ASN A 95 13.053 12.077 -12.277 1.00 20.12 O ATOM 1513 CB ASN A 95 13.580 14.643 -12.959 1.00 22.32 C ATOM 1514 CG ASN A 95 14.593 14.989 -11.884 1.00 74.11 C ATOM 1515 OD1 ASN A 95 14.280 14.974 -10.693 1.00 62.44 O ATOM 1516 ND2 ASN A 95 15.813 15.304 -12.301 1.00 24.20 N ATOM 0 H ASN A 95 12.921 12.914 -15.528 1.00 45.53 H new ATOM 0 HA ASN A 95 15.158 13.601 -13.980 1.00 44.03 H new ATOM 0 HB2 ASN A 95 13.358 15.534 -13.546 1.00 22.32 H new ATOM 0 HB3 ASN A 95 12.648 14.331 -12.489 1.00 22.32 H new ATOM 0 HD21 ASN A 95 16.536 15.547 -11.624 1.00 24.20 H new ATOM 0 HD22 ASN A 95 16.027 15.303 -13.298 1.00 24.20 H new ATOM 1523 N TYR A 96 14.173 11.113 -13.973 1.00 71.40 N ATOM 1524 CA TYR A 96 13.903 9.752 -13.522 1.00 51.45 C ATOM 1525 C TYR A 96 12.407 9.456 -13.550 1.00 54.23 C ATOM 1526 O TYR A 96 11.668 9.847 -12.646 1.00 40.11 O ATOM 1527 CB TYR A 96 14.449 9.543 -12.109 1.00 64.13 C ATOM 1528 CG TYR A 96 15.849 10.080 -11.916 1.00 5.13 C ATOM 1529 CD1 TYR A 96 16.951 9.404 -12.426 1.00 73.13 C ATOM 1530 CD2 TYR A 96 16.071 11.263 -11.221 1.00 63.05 C ATOM 1531 CE1 TYR A 96 18.232 9.890 -12.251 1.00 51.44 C ATOM 1532 CE2 TYR A 96 17.349 11.758 -11.043 1.00 73.30 C ATOM 1533 CZ TYR A 96 18.426 11.068 -11.560 1.00 34.24 C ATOM 1534 OH TYR A 96 19.700 11.557 -11.383 1.00 33.43 O ATOM 0 H TYR A 96 14.728 11.172 -14.827 1.00 71.40 H new ATOM 0 HA TYR A 96 14.404 9.064 -14.203 1.00 51.45 H new ATOM 0 HB2 TYR A 96 13.782 10.026 -11.395 1.00 64.13 H new ATOM 0 HB3 TYR A 96 14.443 8.477 -11.880 1.00 64.13 H new ATOM 0 HD1 TYR A 96 16.803 8.482 -12.969 1.00 73.13 H new ATOM 0 HD2 TYR A 96 15.230 11.805 -10.813 1.00 63.05 H new ATOM 0 HE1 TYR A 96 19.077 9.351 -12.653 1.00 51.44 H new ATOM 0 HE2 TYR A 96 17.504 12.680 -10.502 1.00 73.30 H new ATOM 0 HH TYR A 96 19.661 12.395 -10.876 1.00 33.43 H new ATOM 1544 N ASP A 97 11.967 8.762 -14.594 1.00 40.33 N ATOM 1545 CA ASP A 97 10.559 8.411 -14.741 1.00 23.11 C ATOM 1546 C ASP A 97 10.375 6.897 -14.751 1.00 24.52 C ATOM 1547 O ASP A 97 10.019 6.311 -15.773 1.00 73.40 O ATOM 1548 CB ASP A 97 9.992 9.014 -16.027 1.00 3.31 C ATOM 1549 CG ASP A 97 9.420 10.402 -15.812 1.00 64.12 C ATOM 1550 OD1 ASP A 97 8.349 10.510 -15.181 1.00 55.21 O ATOM 1551 OD2 ASP A 97 10.044 11.379 -16.276 1.00 44.50 O ATOM 0 H ASP A 97 12.565 8.431 -15.351 1.00 40.33 H new ATOM 0 HA ASP A 97 10.017 8.820 -13.888 1.00 23.11 H new ATOM 0 HB2 ASP A 97 10.778 9.061 -16.780 1.00 3.31 H new ATOM 0 HB3 ASP A 97 9.213 8.360 -16.419 1.00 3.31 H new ATOM 1556 N VAL A 98 10.622 6.268 -13.606 1.00 3.02 N ATOM 1557 CA VAL A 98 10.484 4.822 -13.482 1.00 60.22 C ATOM 1558 C VAL A 98 9.643 4.452 -12.266 1.00 12.12 C ATOM 1559 O VAL A 98 9.707 5.115 -11.231 1.00 20.53 O ATOM 1560 CB VAL A 98 11.858 4.134 -13.371 1.00 13.21 C ATOM 1561 CG1 VAL A 98 12.684 4.385 -14.623 1.00 51.41 C ATOM 1562 CG2 VAL A 98 12.595 4.615 -12.130 1.00 50.43 C ATOM 0 H VAL A 98 10.919 6.738 -12.751 1.00 3.02 H new ATOM 0 HA VAL A 98 9.984 4.474 -14.386 1.00 60.22 H new ATOM 0 HB VAL A 98 11.701 3.059 -13.279 1.00 13.21 H new ATOM 0 HG11 VAL A 98 13.651 3.891 -14.526 1.00 51.41 H new ATOM 0 HG12 VAL A 98 12.159 3.987 -15.491 1.00 51.41 H new ATOM 0 HG13 VAL A 98 12.835 5.457 -14.750 1.00 51.41 H new ATOM 0 HG21 VAL A 98 13.564 4.119 -12.067 1.00 50.43 H new ATOM 0 HG22 VAL A 98 12.743 5.693 -12.190 1.00 50.43 H new ATOM 0 HG23 VAL A 98 12.007 4.378 -11.243 1.00 50.43 H new ATOM 1572 N GLN A 99 8.855 3.390 -12.399 1.00 31.03 N ATOM 1573 CA GLN A 99 8.000 2.932 -11.310 1.00 3.34 C ATOM 1574 C GLN A 99 7.785 1.424 -11.383 1.00 41.24 C ATOM 1575 O GLN A 99 7.707 0.851 -12.470 1.00 53.12 O ATOM 1576 CB GLN A 99 6.653 3.654 -11.353 1.00 14.43 C ATOM 1577 CG GLN A 99 5.676 3.183 -10.288 1.00 14.45 C ATOM 1578 CD GLN A 99 4.910 1.943 -10.705 1.00 43.10 C ATOM 1579 OE1 GLN A 99 4.869 0.951 -9.977 1.00 61.32 O ATOM 1580 NE2 GLN A 99 4.299 1.993 -11.883 1.00 14.05 N ATOM 0 H GLN A 99 8.791 2.831 -13.250 1.00 31.03 H new ATOM 0 HA GLN A 99 8.498 3.164 -10.369 1.00 3.34 H new ATOM 0 HB2 GLN A 99 6.820 4.724 -11.233 1.00 14.43 H new ATOM 0 HB3 GLN A 99 6.204 3.510 -12.336 1.00 14.43 H new ATOM 0 HG2 GLN A 99 6.221 2.976 -9.367 1.00 14.45 H new ATOM 0 HG3 GLN A 99 4.970 3.984 -10.068 1.00 14.45 H new ATOM 0 HE21 GLN A 99 4.360 2.836 -12.454 1.00 14.05 H new ATOM 0 HE22 GLN A 99 3.769 1.188 -12.217 1.00 14.05 H new ATOM 1589 N ARG A 100 7.691 0.787 -10.221 1.00 12.32 N ATOM 1590 CA ARG A 100 7.486 -0.655 -10.154 1.00 3.40 C ATOM 1591 C ARG A 100 6.712 -1.036 -8.896 1.00 23.24 C ATOM 1592 O ARG A 100 6.888 -0.430 -7.838 1.00 71.33 O ATOM 1593 CB ARG A 100 8.831 -1.384 -10.179 1.00 40.42 C ATOM 1594 CG ARG A 100 9.512 -1.453 -8.822 1.00 34.31 C ATOM 1595 CD ARG A 100 9.879 -0.069 -8.311 1.00 51.12 C ATOM 1596 NE ARG A 100 10.713 0.662 -9.262 1.00 32.22 N ATOM 1597 CZ ARG A 100 11.233 1.859 -9.014 1.00 62.43 C ATOM 1598 NH1 ARG A 100 11.007 2.456 -7.853 1.00 3.15 N ATOM 1599 NH2 ARG A 100 11.982 2.460 -9.930 1.00 20.00 N ATOM 0 H ARG A 100 7.754 1.247 -9.313 1.00 12.32 H new ATOM 0 HA ARG A 100 6.902 -0.955 -11.024 1.00 3.40 H new ATOM 0 HB2 ARG A 100 8.679 -2.397 -10.551 1.00 40.42 H new ATOM 0 HB3 ARG A 100 9.494 -0.882 -10.884 1.00 40.42 H new ATOM 0 HG2 ARG A 100 8.851 -1.943 -8.107 1.00 34.31 H new ATOM 0 HG3 ARG A 100 10.411 -2.065 -8.896 1.00 34.31 H new ATOM 0 HD2 ARG A 100 8.969 0.498 -8.116 1.00 51.12 H new ATOM 0 HD3 ARG A 100 10.407 -0.161 -7.362 1.00 51.12 H new ATOM 0 HE ARG A 100 10.907 0.230 -10.165 1.00 32.22 H new ATOM 0 HH11 ARG A 100 10.432 1.996 -7.147 1.00 3.15 H new ATOM 0 HH12 ARG A 100 11.408 3.375 -7.666 1.00 3.15 H new ATOM 0 HH21 ARG A 100 12.158 2.003 -10.825 1.00 20.00 H new ATOM 0 HH22 ARG A 100 12.381 3.379 -9.739 1.00 20.00 H new ATOM 1613 N PHE A 101 5.855 -2.044 -9.017 1.00 71.34 N ATOM 1614 CA PHE A 101 5.053 -2.506 -7.891 1.00 14.14 C ATOM 1615 C PHE A 101 5.063 -4.029 -7.804 1.00 34.32 C ATOM 1616 O PHE A 101 5.094 -4.719 -8.823 1.00 72.42 O ATOM 1617 CB PHE A 101 3.614 -2.001 -8.020 1.00 42.34 C ATOM 1618 CG PHE A 101 2.853 -2.020 -6.726 1.00 31.22 C ATOM 1619 CD1 PHE A 101 3.398 -1.467 -5.578 1.00 54.22 C ATOM 1620 CD2 PHE A 101 1.592 -2.591 -6.657 1.00 25.35 C ATOM 1621 CE1 PHE A 101 2.699 -1.484 -4.386 1.00 24.24 C ATOM 1622 CE2 PHE A 101 0.889 -2.611 -5.467 1.00 23.33 C ATOM 1623 CZ PHE A 101 1.443 -2.056 -4.330 1.00 3.00 C ATOM 0 H PHE A 101 5.698 -2.557 -9.885 1.00 71.34 H new ATOM 0 HA PHE A 101 5.491 -2.104 -6.977 1.00 14.14 H new ATOM 0 HB2 PHE A 101 3.628 -0.983 -8.409 1.00 42.34 H new ATOM 0 HB3 PHE A 101 3.087 -2.614 -8.751 1.00 42.34 H new ATOM 0 HD1 PHE A 101 4.380 -1.018 -5.615 1.00 54.22 H new ATOM 0 HD2 PHE A 101 1.154 -3.025 -7.543 1.00 25.35 H new ATOM 0 HE1 PHE A 101 3.135 -1.050 -3.498 1.00 24.24 H new ATOM 0 HE2 PHE A 101 -0.092 -3.060 -5.426 1.00 23.33 H new ATOM 0 HZ PHE A 101 0.895 -2.069 -3.399 1.00 3.00 H new ATOM 1633 N ILE A 102 5.037 -4.546 -6.580 1.00 73.30 N ATOM 1634 CA ILE A 102 5.042 -5.987 -6.360 1.00 22.13 C ATOM 1635 C ILE A 102 3.930 -6.401 -5.403 1.00 34.24 C ATOM 1636 O ILE A 102 3.882 -5.953 -4.257 1.00 44.31 O ATOM 1637 CB ILE A 102 6.393 -6.465 -5.796 1.00 24.21 C ATOM 1638 CG1 ILE A 102 6.847 -5.551 -4.656 1.00 63.01 C ATOM 1639 CG2 ILE A 102 7.442 -6.508 -6.898 1.00 13.34 C ATOM 1640 CD1 ILE A 102 8.175 -5.952 -4.052 1.00 32.21 C ATOM 0 H ILE A 102 5.012 -3.989 -5.726 1.00 73.30 H new ATOM 0 HA ILE A 102 4.876 -6.455 -7.330 1.00 22.13 H new ATOM 0 HB ILE A 102 6.268 -7.473 -5.400 1.00 24.21 H new ATOM 0 HG12 ILE A 102 6.920 -4.529 -5.028 1.00 63.01 H new ATOM 0 HG13 ILE A 102 6.087 -5.553 -3.875 1.00 63.01 H new ATOM 0 HG21 ILE A 102 8.391 -6.848 -6.484 1.00 13.34 H new ATOM 0 HG22 ILE A 102 7.120 -7.196 -7.680 1.00 13.34 H new ATOM 0 HG23 ILE A 102 7.567 -5.511 -7.321 1.00 13.34 H new ATOM 0 HD11 ILE A 102 8.434 -5.260 -3.250 1.00 32.21 H new ATOM 0 HD12 ILE A 102 8.101 -6.962 -3.650 1.00 32.21 H new ATOM 0 HD13 ILE A 102 8.948 -5.923 -4.820 1.00 32.21 H new ATOM 1652 N VAL A 103 3.036 -7.262 -5.880 1.00 12.33 N ATOM 1653 CA VAL A 103 1.924 -7.740 -5.066 1.00 4.51 C ATOM 1654 C VAL A 103 1.510 -9.149 -5.474 1.00 43.33 C ATOM 1655 O VAL A 103 1.441 -9.468 -6.660 1.00 44.45 O ATOM 1656 CB VAL A 103 0.705 -6.805 -5.177 1.00 71.32 C ATOM 1657 CG1 VAL A 103 0.216 -6.735 -6.616 1.00 14.13 C ATOM 1658 CG2 VAL A 103 -0.408 -7.269 -4.249 1.00 65.21 C ATOM 0 H VAL A 103 3.060 -7.643 -6.826 1.00 12.33 H new ATOM 0 HA VAL A 103 2.270 -7.752 -4.032 1.00 4.51 H new ATOM 0 HB VAL A 103 1.007 -5.803 -4.872 1.00 71.32 H new ATOM 0 HG11 VAL A 103 -0.646 -6.070 -6.676 1.00 14.13 H new ATOM 0 HG12 VAL A 103 1.014 -6.353 -7.253 1.00 14.13 H new ATOM 0 HG13 VAL A 103 -0.071 -7.732 -6.952 1.00 14.13 H new ATOM 0 HG21 VAL A 103 -1.261 -6.597 -4.340 1.00 65.21 H new ATOM 0 HG22 VAL A 103 -0.711 -8.280 -4.522 1.00 65.21 H new ATOM 0 HG23 VAL A 103 -0.050 -7.263 -3.220 1.00 65.21 H new ATOM 1668 N GLY A 104 1.235 -9.990 -4.482 1.00 54.20 N ATOM 1669 CA GLY A 104 0.830 -11.356 -4.758 1.00 50.22 C ATOM 1670 C GLY A 104 1.966 -12.198 -5.305 1.00 53.42 C ATOM 1671 O GLY A 104 3.102 -12.094 -4.843 1.00 61.43 O ATOM 0 H GLY A 104 1.285 -9.750 -3.492 1.00 54.20 H new ATOM 0 HA2 GLY A 104 0.452 -11.812 -3.843 1.00 50.22 H new ATOM 0 HA3 GLY A 104 0.008 -11.350 -5.474 1.00 50.22 H new ATOM 1675 N SER A 105 1.659 -13.035 -6.291 1.00 55.51 N ATOM 1676 CA SER A 105 2.661 -13.902 -6.898 1.00 4.12 C ATOM 1677 C SER A 105 3.134 -13.335 -8.233 1.00 0.30 C ATOM 1678 O SER A 105 3.929 -13.957 -8.938 1.00 10.12 O ATOM 1679 CB SER A 105 2.095 -15.308 -7.100 1.00 75.44 C ATOM 1680 OG SER A 105 1.323 -15.713 -5.983 1.00 14.11 O ATOM 0 H SER A 105 0.724 -13.131 -6.686 1.00 55.51 H new ATOM 0 HA SER A 105 3.515 -13.956 -6.223 1.00 4.12 H new ATOM 0 HB2 SER A 105 1.479 -15.329 -7.999 1.00 75.44 H new ATOM 0 HB3 SER A 105 2.911 -16.013 -7.256 1.00 75.44 H new ATOM 0 HG SER A 105 0.971 -16.614 -6.138 1.00 14.11 H new ATOM 1686 N ASP A 106 2.639 -12.150 -8.574 1.00 30.04 N ATOM 1687 CA ASP A 106 3.010 -11.497 -9.823 1.00 44.24 C ATOM 1688 C ASP A 106 3.559 -10.097 -9.563 1.00 23.51 C ATOM 1689 O ASP A 106 3.110 -9.404 -8.650 1.00 43.12 O ATOM 1690 CB ASP A 106 1.804 -11.419 -10.761 1.00 5.21 C ATOM 1691 CG ASP A 106 0.599 -10.779 -10.101 1.00 74.21 C ATOM 1692 OD1 ASP A 106 0.055 -11.378 -9.149 1.00 62.43 O ATOM 1693 OD2 ASP A 106 0.199 -9.679 -10.536 1.00 32.21 O ATOM 0 H ASP A 106 1.980 -11.622 -8.002 1.00 30.04 H new ATOM 0 HA ASP A 106 3.791 -12.092 -10.297 1.00 44.24 H new ATOM 0 HB2 ASP A 106 2.074 -10.848 -11.649 1.00 5.21 H new ATOM 0 HB3 ASP A 106 1.541 -12.423 -11.095 1.00 5.21 H new ATOM 1698 N ARG A 107 4.533 -9.690 -10.370 1.00 2.30 N ATOM 1699 CA ARG A 107 5.145 -8.374 -10.225 1.00 70.33 C ATOM 1700 C ARG A 107 5.072 -7.594 -11.534 1.00 40.24 C ATOM 1701 O ARG A 107 5.158 -8.171 -12.618 1.00 40.40 O ATOM 1702 CB ARG A 107 6.603 -8.512 -9.782 1.00 34.21 C ATOM 1703 CG ARG A 107 6.769 -9.223 -8.449 1.00 10.03 C ATOM 1704 CD ARG A 107 6.804 -10.733 -8.623 1.00 70.22 C ATOM 1705 NE ARG A 107 7.498 -11.395 -7.522 1.00 31.50 N ATOM 1706 CZ ARG A 107 6.936 -11.647 -6.345 1.00 22.32 C ATOM 1707 NH1 ARG A 107 5.679 -11.294 -6.118 1.00 34.44 N ATOM 1708 NH2 ARG A 107 7.633 -12.254 -5.392 1.00 53.02 N ATOM 0 H ARG A 107 4.915 -10.252 -11.131 1.00 2.30 H new ATOM 0 HA ARG A 107 4.591 -7.825 -9.463 1.00 70.33 H new ATOM 0 HB2 ARG A 107 7.156 -9.057 -10.547 1.00 34.21 H new ATOM 0 HB3 ARG A 107 7.049 -7.520 -9.713 1.00 34.21 H new ATOM 0 HG2 ARG A 107 7.690 -8.890 -7.970 1.00 10.03 H new ATOM 0 HG3 ARG A 107 5.948 -8.951 -7.786 1.00 10.03 H new ATOM 0 HD2 ARG A 107 5.785 -11.114 -8.690 1.00 70.22 H new ATOM 0 HD3 ARG A 107 7.299 -10.978 -9.563 1.00 70.22 H new ATOM 0 HE ARG A 107 8.467 -11.679 -7.664 1.00 31.50 H new ATOM 0 HH11 ARG A 107 5.140 -10.828 -6.848 1.00 34.44 H new ATOM 0 HH12 ARG A 107 5.250 -11.489 -5.213 1.00 34.44 H new ATOM 0 HH21 ARG A 107 8.601 -12.527 -5.563 1.00 53.02 H new ATOM 0 HH22 ARG A 107 7.201 -12.447 -4.488 1.00 53.02 H new ATOM 1722 N ALA A 108 4.912 -6.279 -11.425 1.00 43.13 N ATOM 1723 CA ALA A 108 4.829 -5.419 -12.600 1.00 22.45 C ATOM 1724 C ALA A 108 5.946 -4.381 -12.600 1.00 30.01 C ATOM 1725 O ALA A 108 6.350 -3.890 -11.545 1.00 53.24 O ATOM 1726 CB ALA A 108 3.471 -4.736 -12.659 1.00 31.53 C ATOM 0 H ALA A 108 4.837 -5.786 -10.535 1.00 43.13 H new ATOM 0 HA ALA A 108 4.948 -6.043 -13.486 1.00 22.45 H new ATOM 0 HB1 ALA A 108 3.423 -4.097 -13.541 1.00 31.53 H new ATOM 0 HB2 ALA A 108 2.686 -5.491 -12.714 1.00 31.53 H new ATOM 0 HB3 ALA A 108 3.329 -4.130 -11.764 1.00 31.53 H new ATOM 1732 N ILE A 109 6.441 -4.052 -13.788 1.00 62.12 N ATOM 1733 CA ILE A 109 7.511 -3.072 -13.925 1.00 1.35 C ATOM 1734 C ILE A 109 7.236 -2.115 -15.080 1.00 24.20 C ATOM 1735 O ILE A 109 6.821 -2.533 -16.161 1.00 64.40 O ATOM 1736 CB ILE A 109 8.874 -3.753 -14.150 1.00 32.21 C ATOM 1737 CG1 ILE A 109 10.008 -2.738 -13.994 1.00 61.22 C ATOM 1738 CG2 ILE A 109 8.921 -4.401 -15.526 1.00 33.35 C ATOM 1739 CD1 ILE A 109 10.564 -2.664 -12.589 1.00 52.23 C ATOM 0 H ILE A 109 6.118 -4.450 -14.670 1.00 62.12 H new ATOM 0 HA ILE A 109 7.545 -2.510 -12.991 1.00 1.35 H new ATOM 0 HB ILE A 109 9.003 -4.532 -13.398 1.00 32.21 H new ATOM 0 HG12 ILE A 109 10.813 -2.997 -14.682 1.00 61.22 H new ATOM 0 HG13 ILE A 109 9.645 -1.752 -14.285 1.00 61.22 H new ATOM 0 HG21 ILE A 109 9.890 -4.878 -15.671 1.00 33.35 H new ATOM 0 HG22 ILE A 109 8.133 -5.150 -15.603 1.00 33.35 H new ATOM 0 HG23 ILE A 109 8.774 -3.640 -16.292 1.00 33.35 H new ATOM 0 HD11 ILE A 109 11.364 -1.924 -12.553 1.00 52.23 H new ATOM 0 HD12 ILE A 109 9.771 -2.375 -11.899 1.00 52.23 H new ATOM 0 HD13 ILE A 109 10.958 -3.639 -12.302 1.00 52.23 H new ATOM 1751 N PHE A 110 7.472 -0.829 -14.845 1.00 5.22 N ATOM 1752 CA PHE A 110 7.251 0.188 -15.866 1.00 45.32 C ATOM 1753 C PHE A 110 8.267 1.319 -15.736 1.00 43.42 C ATOM 1754 O PHE A 110 8.337 1.990 -14.707 1.00 31.03 O ATOM 1755 CB PHE A 110 5.831 0.748 -15.760 1.00 5.12 C ATOM 1756 CG PHE A 110 5.624 2.011 -16.547 1.00 24.34 C ATOM 1757 CD1 PHE A 110 6.099 2.120 -17.844 1.00 34.21 C ATOM 1758 CD2 PHE A 110 4.955 3.088 -15.989 1.00 41.21 C ATOM 1759 CE1 PHE A 110 5.910 3.281 -18.570 1.00 21.33 C ATOM 1760 CE2 PHE A 110 4.763 4.252 -16.710 1.00 61.43 C ATOM 1761 CZ PHE A 110 5.240 4.347 -18.003 1.00 4.53 C ATOM 0 H PHE A 110 7.816 -0.466 -13.956 1.00 5.22 H new ATOM 0 HA PHE A 110 7.377 -0.280 -16.842 1.00 45.32 H new ATOM 0 HB2 PHE A 110 5.125 -0.006 -16.107 1.00 5.12 H new ATOM 0 HB3 PHE A 110 5.602 0.941 -14.712 1.00 5.12 H new ATOM 0 HD1 PHE A 110 6.623 1.289 -18.293 1.00 34.21 H new ATOM 0 HD2 PHE A 110 4.579 3.018 -14.979 1.00 41.21 H new ATOM 0 HE1 PHE A 110 6.286 3.354 -19.580 1.00 21.33 H new ATOM 0 HE2 PHE A 110 4.241 5.085 -16.263 1.00 61.43 H new ATOM 0 HZ PHE A 110 5.089 5.254 -18.570 1.00 4.53 H new ATOM 1771 N MET A 111 9.054 1.524 -16.788 1.00 15.30 N ATOM 1772 CA MET A 111 10.065 2.574 -16.792 1.00 45.41 C ATOM 1773 C MET A 111 10.156 3.237 -18.163 1.00 72.01 C ATOM 1774 O MET A 111 10.209 2.558 -19.190 1.00 14.24 O ATOM 1775 CB MET A 111 11.428 2.001 -16.399 1.00 62.53 C ATOM 1776 CG MET A 111 11.807 0.749 -17.174 1.00 74.31 C ATOM 1777 SD MET A 111 11.666 -0.751 -16.183 1.00 4.24 S ATOM 1778 CE MET A 111 12.798 -0.379 -14.845 1.00 14.04 C ATOM 0 H MET A 111 9.011 0.977 -17.648 1.00 15.30 H new ATOM 0 HA MET A 111 9.771 3.328 -16.062 1.00 45.41 H new ATOM 0 HB2 MET A 111 12.192 2.762 -16.557 1.00 62.53 H new ATOM 0 HB3 MET A 111 11.423 1.771 -15.333 1.00 62.53 H new ATOM 0 HG2 MET A 111 11.166 0.662 -18.051 1.00 74.31 H new ATOM 0 HG3 MET A 111 12.831 0.846 -17.535 1.00 74.31 H new ATOM 0 HE1 MET A 111 13.364 -1.274 -14.588 1.00 14.04 H new ATOM 0 HE2 MET A 111 13.485 0.408 -15.157 1.00 14.04 H new ATOM 0 HE3 MET A 111 12.234 -0.044 -13.974 1.00 14.04 H new ATOM 1788 N LEU A 112 10.173 4.565 -18.173 1.00 51.22 N ATOM 1789 CA LEU A 112 10.257 5.320 -19.419 1.00 33.21 C ATOM 1790 C LEU A 112 10.971 6.650 -19.203 1.00 13.34 C ATOM 1791 O LEU A 112 10.912 7.228 -18.117 1.00 41.11 O ATOM 1792 CB LEU A 112 8.857 5.565 -19.985 1.00 12.35 C ATOM 1793 CG LEU A 112 8.773 5.786 -21.495 1.00 55.12 C ATOM 1794 CD1 LEU A 112 8.344 4.507 -22.198 1.00 41.54 C ATOM 1795 CD2 LEU A 112 7.811 6.921 -21.816 1.00 12.05 C ATOM 0 H LEU A 112 10.130 5.142 -17.333 1.00 51.22 H new ATOM 0 HA LEU A 112 10.833 4.732 -20.133 1.00 33.21 H new ATOM 0 HB2 LEU A 112 8.228 4.713 -19.727 1.00 12.35 H new ATOM 0 HB3 LEU A 112 8.433 6.436 -19.486 1.00 12.35 H new ATOM 0 HG LEU A 112 9.763 6.062 -21.858 1.00 55.12 H new ATOM 0 HD11 LEU A 112 8.290 4.683 -23.272 1.00 41.54 H new ATOM 0 HD12 LEU A 112 9.070 3.720 -21.996 1.00 41.54 H new ATOM 0 HD13 LEU A 112 7.365 4.201 -21.830 1.00 41.54 H new ATOM 0 HD21 LEU A 112 7.764 7.064 -22.896 1.00 12.05 H new ATOM 0 HD22 LEU A 112 6.818 6.674 -21.439 1.00 12.05 H new ATOM 0 HD23 LEU A 112 8.161 7.839 -21.343 1.00 12.05 H new ATOM 1807 N ARG A 113 11.642 7.131 -20.243 1.00 44.55 N ATOM 1808 CA ARG A 113 12.367 8.394 -20.168 1.00 13.54 C ATOM 1809 C ARG A 113 11.403 9.565 -19.996 1.00 74.31 C ATOM 1810 O ARG A 113 11.726 10.558 -19.345 1.00 0.03 O ATOM 1811 CB ARG A 113 13.214 8.598 -21.425 1.00 75.43 C ATOM 1812 CG ARG A 113 12.428 8.452 -22.718 1.00 41.35 C ATOM 1813 CD ARG A 113 12.811 7.183 -23.463 1.00 72.11 C ATOM 1814 NE ARG A 113 12.753 7.359 -24.912 1.00 13.43 N ATOM 1815 CZ ARG A 113 12.671 6.351 -25.772 1.00 74.13 C ATOM 1816 NH1 ARG A 113 12.637 5.101 -25.332 1.00 74.42 N ATOM 1817 NH2 ARG A 113 12.622 6.592 -27.076 1.00 53.02 N ATOM 0 H ARG A 113 11.699 6.665 -21.149 1.00 44.55 H new ATOM 0 HA ARG A 113 13.024 8.355 -19.299 1.00 13.54 H new ATOM 0 HB2 ARG A 113 13.664 9.590 -21.393 1.00 75.43 H new ATOM 0 HB3 ARG A 113 14.032 7.877 -21.423 1.00 75.43 H new ATOM 0 HG2 ARG A 113 11.361 8.437 -22.497 1.00 41.35 H new ATOM 0 HG3 ARG A 113 12.609 9.318 -23.355 1.00 41.35 H new ATOM 0 HD2 ARG A 113 13.819 6.884 -23.174 1.00 72.11 H new ATOM 0 HD3 ARG A 113 12.142 6.374 -23.169 1.00 72.11 H new ATOM 0 HE ARG A 113 12.777 8.309 -25.283 1.00 13.43 H new ATOM 0 HH11 ARG A 113 12.674 4.912 -24.330 1.00 74.42 H new ATOM 0 HH12 ARG A 113 12.574 4.328 -25.995 1.00 74.42 H new ATOM 0 HH21 ARG A 113 12.647 7.552 -27.418 1.00 53.02 H new ATOM 0 HH22 ARG A 113 12.559 5.817 -27.736 1.00 53.02 H new ATOM 1831 N ASP A 114 10.219 9.440 -20.585 1.00 75.02 N ATOM 1832 CA ASP A 114 9.207 10.487 -20.497 1.00 71.45 C ATOM 1833 C ASP A 114 8.433 10.385 -19.187 1.00 15.50 C ATOM 1834 O ASP A 114 8.484 11.288 -18.353 1.00 12.04 O ATOM 1835 CB ASP A 114 8.243 10.395 -21.682 1.00 25.01 C ATOM 1836 CG ASP A 114 8.962 10.161 -22.996 1.00 22.40 C ATOM 1837 OD1 ASP A 114 10.040 10.759 -23.198 1.00 54.34 O ATOM 1838 OD2 ASP A 114 8.448 9.378 -23.822 1.00 12.03 O ATOM 0 H ASP A 114 9.936 8.625 -21.128 1.00 75.02 H new ATOM 0 HA ASP A 114 9.714 11.452 -20.525 1.00 71.45 H new ATOM 0 HB2 ASP A 114 7.535 9.584 -21.509 1.00 25.01 H new ATOM 0 HB3 ASP A 114 7.663 11.316 -21.747 1.00 25.01 H new ATOM 1843 N GLY A 115 7.714 9.280 -19.014 1.00 1.14 N ATOM 1844 CA GLY A 115 6.938 9.082 -17.803 1.00 63.13 C ATOM 1845 C GLY A 115 5.447 9.212 -18.043 1.00 2.45 C ATOM 1846 O GLY A 115 4.784 8.244 -18.413 1.00 32.24 O ATOM 0 H GLY A 115 7.655 8.519 -19.690 1.00 1.14 H new ATOM 0 HA2 GLY A 115 7.153 8.094 -17.395 1.00 63.13 H new ATOM 0 HA3 GLY A 115 7.247 9.811 -17.054 1.00 63.13 H new ATOM 1850 N SER A 116 4.918 10.413 -17.829 1.00 40.04 N ATOM 1851 CA SER A 116 3.494 10.666 -18.019 1.00 24.51 C ATOM 1852 C SER A 116 3.038 10.196 -19.397 1.00 22.00 C ATOM 1853 O SER A 116 1.933 9.676 -19.554 1.00 23.35 O ATOM 1854 CB SER A 116 3.192 12.156 -17.849 1.00 62.35 C ATOM 1855 OG SER A 116 2.439 12.393 -16.673 1.00 23.34 O ATOM 0 H SER A 116 5.454 11.226 -17.524 1.00 40.04 H new ATOM 0 HA SER A 116 2.946 10.104 -17.263 1.00 24.51 H new ATOM 0 HB2 SER A 116 4.126 12.717 -17.806 1.00 62.35 H new ATOM 0 HB3 SER A 116 2.641 12.520 -18.717 1.00 62.35 H new ATOM 0 HG SER A 116 2.261 13.353 -16.587 1.00 23.34 H new ATOM 1861 N TYR A 117 3.897 10.384 -20.393 1.00 33.30 N ATOM 1862 CA TYR A 117 3.582 9.982 -21.759 1.00 3.30 C ATOM 1863 C TYR A 117 3.161 8.517 -21.813 1.00 24.21 C ATOM 1864 O TYR A 117 2.049 8.194 -22.228 1.00 33.05 O ATOM 1865 CB TYR A 117 4.789 10.212 -22.671 1.00 32.22 C ATOM 1866 CG TYR A 117 4.508 9.930 -24.129 1.00 53.25 C ATOM 1867 CD1 TYR A 117 4.014 10.924 -24.966 1.00 64.24 C ATOM 1868 CD2 TYR A 117 4.734 8.671 -24.671 1.00 22.23 C ATOM 1869 CE1 TYR A 117 3.755 10.671 -26.300 1.00 3.13 C ATOM 1870 CE2 TYR A 117 4.479 8.410 -26.003 1.00 24.50 C ATOM 1871 CZ TYR A 117 3.990 9.413 -26.813 1.00 71.43 C ATOM 1872 OH TYR A 117 3.733 9.156 -28.141 1.00 25.13 O ATOM 0 H TYR A 117 4.816 10.812 -20.280 1.00 33.30 H new ATOM 0 HA TYR A 117 2.749 10.593 -22.108 1.00 3.30 H new ATOM 0 HB2 TYR A 117 5.121 11.245 -22.567 1.00 32.22 H new ATOM 0 HB3 TYR A 117 5.611 9.578 -22.339 1.00 32.22 H new ATOM 0 HD1 TYR A 117 3.829 11.911 -24.567 1.00 64.24 H new ATOM 0 HD2 TYR A 117 5.116 7.882 -24.040 1.00 22.23 H new ATOM 0 HE1 TYR A 117 3.371 11.454 -26.937 1.00 3.13 H new ATOM 0 HE2 TYR A 117 4.662 7.426 -26.408 1.00 24.50 H new ATOM 0 HH TYR A 117 3.953 8.223 -28.342 1.00 25.13 H new ATOM 1882 N ALA A 118 4.060 7.634 -21.390 1.00 22.02 N ATOM 1883 CA ALA A 118 3.783 6.203 -21.387 1.00 13.03 C ATOM 1884 C ALA A 118 2.748 5.847 -20.324 1.00 65.33 C ATOM 1885 O ALA A 118 1.988 4.892 -20.481 1.00 72.41 O ATOM 1886 CB ALA A 118 5.066 5.417 -21.162 1.00 11.14 C ATOM 0 H ALA A 118 4.986 7.885 -21.045 1.00 22.02 H new ATOM 0 HA ALA A 118 3.373 5.935 -22.361 1.00 13.03 H new ATOM 0 HB1 ALA A 118 4.844 4.350 -21.162 1.00 11.14 H new ATOM 0 HB2 ALA A 118 5.774 5.640 -21.960 1.00 11.14 H new ATOM 0 HB3 ALA A 118 5.501 5.697 -20.202 1.00 11.14 H new ATOM 1892 N TRP A 119 2.727 6.619 -19.244 1.00 53.23 N ATOM 1893 CA TRP A 119 1.786 6.384 -18.155 1.00 75.33 C ATOM 1894 C TRP A 119 0.358 6.281 -18.682 1.00 3.22 C ATOM 1895 O TRP A 119 -0.475 5.582 -18.107 1.00 13.20 O ATOM 1896 CB TRP A 119 1.881 7.505 -17.120 1.00 10.42 C ATOM 1897 CG TRP A 119 0.864 7.391 -16.025 1.00 53.40 C ATOM 1898 CD1 TRP A 119 -0.449 7.765 -16.084 1.00 24.34 C ATOM 1899 CD2 TRP A 119 1.076 6.870 -14.708 1.00 44.55 C ATOM 1900 NE1 TRP A 119 -1.065 7.507 -14.883 1.00 4.34 N ATOM 1901 CE2 TRP A 119 -0.151 6.958 -14.023 1.00 21.14 C ATOM 1902 CE3 TRP A 119 2.183 6.337 -14.043 1.00 22.01 C ATOM 1903 CZ2 TRP A 119 -0.299 6.533 -12.705 1.00 61.42 C ATOM 1904 CZ3 TRP A 119 2.035 5.916 -12.735 1.00 72.43 C ATOM 1905 CH2 TRP A 119 0.801 6.014 -12.078 1.00 3.52 C ATOM 0 H TRP A 119 3.351 7.413 -19.099 1.00 53.23 H new ATOM 0 HA TRP A 119 2.047 5.438 -17.680 1.00 75.33 H new ATOM 0 HB2 TRP A 119 2.879 7.501 -16.681 1.00 10.42 H new ATOM 0 HB3 TRP A 119 1.758 8.465 -17.622 1.00 10.42 H new ATOM 0 HD1 TRP A 119 -0.931 8.199 -16.947 1.00 24.34 H new ATOM 0 HE1 TRP A 119 -2.044 7.694 -14.667 1.00 4.34 H new ATOM 0 HE3 TRP A 119 3.137 6.255 -14.542 1.00 22.01 H new ATOM 0 HZ2 TRP A 119 -1.248 6.610 -12.196 1.00 61.42 H new ATOM 0 HZ3 TRP A 119 2.885 5.505 -12.210 1.00 72.43 H new ATOM 0 HH2 TRP A 119 0.717 5.673 -11.057 1.00 3.52 H new ATOM 1916 N GLU A 120 0.085 6.982 -19.778 1.00 35.02 N ATOM 1917 CA GLU A 120 -1.243 6.969 -20.380 1.00 73.12 C ATOM 1918 C GLU A 120 -1.623 5.561 -20.829 1.00 72.32 C ATOM 1919 O GLU A 120 -2.616 4.998 -20.368 1.00 34.22 O ATOM 1920 CB GLU A 120 -1.297 7.928 -21.571 1.00 63.45 C ATOM 1921 CG GLU A 120 -2.239 9.102 -21.366 1.00 4.01 C ATOM 1922 CD GLU A 120 -3.690 8.734 -21.602 1.00 75.23 C ATOM 1923 OE1 GLU A 120 -4.224 7.904 -20.836 1.00 43.00 O ATOM 1924 OE2 GLU A 120 -4.293 9.275 -22.553 1.00 32.52 O ATOM 0 H GLU A 120 0.765 7.565 -20.266 1.00 35.02 H new ATOM 0 HA GLU A 120 -1.959 7.297 -19.626 1.00 73.12 H new ATOM 0 HB2 GLU A 120 -0.294 8.308 -21.766 1.00 63.45 H new ATOM 0 HB3 GLU A 120 -1.607 7.375 -22.458 1.00 63.45 H new ATOM 0 HG2 GLU A 120 -2.125 9.481 -20.351 1.00 4.01 H new ATOM 0 HG3 GLU A 120 -1.959 9.910 -22.042 1.00 4.01 H new ATOM 1931 N ILE A 121 -0.826 4.999 -21.732 1.00 32.24 N ATOM 1932 CA ILE A 121 -1.078 3.657 -22.243 1.00 12.14 C ATOM 1933 C ILE A 121 -0.819 2.603 -21.171 1.00 41.34 C ATOM 1934 O ILE A 121 -1.445 1.543 -21.163 1.00 63.01 O ATOM 1935 CB ILE A 121 -0.203 3.349 -23.472 1.00 51.40 C ATOM 1936 CG1 ILE A 121 -0.323 4.472 -24.504 1.00 43.44 C ATOM 1937 CG2 ILE A 121 -0.601 2.015 -24.085 1.00 22.24 C ATOM 1938 CD1 ILE A 121 -1.728 4.660 -25.033 1.00 4.44 C ATOM 0 H ILE A 121 -0.001 5.452 -22.125 1.00 32.24 H new ATOM 0 HA ILE A 121 -2.127 3.623 -22.537 1.00 12.14 H new ATOM 0 HB ILE A 121 0.837 3.284 -23.152 1.00 51.40 H new ATOM 0 HG12 ILE A 121 0.015 5.405 -24.054 1.00 43.44 H new ATOM 0 HG13 ILE A 121 0.345 4.260 -25.339 1.00 43.44 H new ATOM 0 HG21 ILE A 121 0.027 1.812 -24.953 1.00 22.24 H new ATOM 0 HG22 ILE A 121 -0.470 1.222 -23.348 1.00 22.24 H new ATOM 0 HG23 ILE A 121 -1.646 2.054 -24.394 1.00 22.24 H new ATOM 0 HD11 ILE A 121 -1.738 5.472 -25.760 1.00 4.44 H new ATOM 0 HD12 ILE A 121 -2.062 3.740 -25.513 1.00 4.44 H new ATOM 0 HD13 ILE A 121 -2.398 4.903 -24.208 1.00 4.44 H new ATOM 1950 N LYS A 122 0.107 2.902 -20.267 1.00 2.51 N ATOM 1951 CA LYS A 122 0.449 1.983 -19.188 1.00 14.33 C ATOM 1952 C LYS A 122 -0.803 1.531 -18.442 1.00 2.32 C ATOM 1953 O LYS A 122 -0.866 0.409 -17.939 1.00 3.43 O ATOM 1954 CB LYS A 122 1.424 2.648 -18.213 1.00 71.24 C ATOM 1955 CG LYS A 122 1.934 1.713 -17.131 1.00 31.43 C ATOM 1956 CD LYS A 122 1.566 2.212 -15.744 1.00 12.03 C ATOM 1957 CE LYS A 122 0.058 2.288 -15.561 1.00 13.23 C ATOM 1958 NZ LYS A 122 -0.316 2.558 -14.145 1.00 13.12 N ATOM 0 H LYS A 122 0.635 3.775 -20.260 1.00 2.51 H new ATOM 0 HA LYS A 122 0.926 1.107 -19.628 1.00 14.33 H new ATOM 0 HB2 LYS A 122 2.273 3.040 -18.772 1.00 71.24 H new ATOM 0 HB3 LYS A 122 0.931 3.499 -17.743 1.00 71.24 H new ATOM 0 HG2 LYS A 122 1.517 0.717 -17.283 1.00 31.43 H new ATOM 0 HG3 LYS A 122 3.017 1.620 -17.210 1.00 31.43 H new ATOM 0 HD2 LYS A 122 1.992 1.547 -14.992 1.00 12.03 H new ATOM 0 HD3 LYS A 122 2.003 3.197 -15.583 1.00 12.03 H new ATOM 0 HE2 LYS A 122 -0.346 3.074 -16.199 1.00 13.23 H new ATOM 0 HE3 LYS A 122 -0.395 1.350 -15.884 1.00 13.23 H new ATOM 0 HZ1 LYS A 122 -1.352 2.602 -14.062 1.00 13.12 H new ATOM 0 HZ2 LYS A 122 0.048 1.795 -13.538 1.00 13.12 H new ATOM 0 HZ3 LYS A 122 0.095 3.465 -13.844 1.00 13.12 H new ATOM 1972 N ASP A 123 -1.796 2.410 -18.376 1.00 14.54 N ATOM 1973 CA ASP A 123 -3.047 2.101 -17.693 1.00 74.52 C ATOM 1974 C ASP A 123 -3.656 0.811 -18.234 1.00 72.41 C ATOM 1975 O ASP A 123 -3.851 -0.154 -17.494 1.00 53.03 O ATOM 1976 CB ASP A 123 -4.039 3.254 -17.853 1.00 75.40 C ATOM 1977 CG ASP A 123 -3.819 4.353 -16.832 1.00 71.43 C ATOM 1978 OD1 ASP A 123 -2.674 4.840 -16.722 1.00 72.32 O ATOM 1979 OD2 ASP A 123 -4.792 4.726 -16.144 1.00 44.32 O ATOM 0 H ASP A 123 -1.759 3.343 -18.787 1.00 14.54 H new ATOM 0 HA ASP A 123 -2.830 1.964 -16.634 1.00 74.52 H new ATOM 0 HB2 ASP A 123 -3.949 3.671 -18.856 1.00 75.40 H new ATOM 0 HB3 ASP A 123 -5.055 2.871 -17.757 1.00 75.40 H new ATOM 1984 N PHE A 124 -3.955 0.801 -19.529 1.00 34.02 N ATOM 1985 CA PHE A 124 -4.544 -0.370 -20.169 1.00 13.43 C ATOM 1986 C PHE A 124 -3.530 -1.506 -20.263 1.00 51.33 C ATOM 1987 O PHE A 124 -3.894 -2.682 -20.232 1.00 24.25 O ATOM 1988 CB PHE A 124 -5.056 -0.010 -21.565 1.00 73.41 C ATOM 1989 CG PHE A 124 -5.584 -1.189 -22.332 1.00 23.41 C ATOM 1990 CD1 PHE A 124 -6.698 -1.881 -21.885 1.00 12.21 C ATOM 1991 CD2 PHE A 124 -4.965 -1.606 -23.500 1.00 15.22 C ATOM 1992 CE1 PHE A 124 -7.185 -2.966 -22.588 1.00 61.52 C ATOM 1993 CE2 PHE A 124 -5.448 -2.691 -24.208 1.00 10.44 C ATOM 1994 CZ PHE A 124 -6.560 -3.371 -23.752 1.00 21.15 C ATOM 0 H PHE A 124 -3.799 1.590 -20.156 1.00 34.02 H new ATOM 0 HA PHE A 124 -5.382 -0.705 -19.558 1.00 13.43 H new ATOM 0 HB2 PHE A 124 -5.845 0.736 -21.473 1.00 73.41 H new ATOM 0 HB3 PHE A 124 -4.247 0.450 -22.133 1.00 73.41 H new ATOM 0 HD1 PHE A 124 -7.191 -1.569 -20.976 1.00 12.21 H new ATOM 0 HD2 PHE A 124 -4.095 -1.077 -23.861 1.00 15.22 H new ATOM 0 HE1 PHE A 124 -8.054 -3.497 -22.228 1.00 61.52 H new ATOM 0 HE2 PHE A 124 -4.956 -3.006 -25.116 1.00 10.44 H new ATOM 0 HZ PHE A 124 -6.940 -4.218 -24.304 1.00 21.15 H new ATOM 2004 N LEU A 125 -2.257 -1.146 -20.380 1.00 42.52 N ATOM 2005 CA LEU A 125 -1.188 -2.134 -20.480 1.00 52.31 C ATOM 2006 C LEU A 125 -1.151 -3.023 -19.241 1.00 41.51 C ATOM 2007 O LEU A 125 -1.307 -4.240 -19.333 1.00 21.33 O ATOM 2008 CB LEU A 125 0.162 -1.437 -20.663 1.00 75.51 C ATOM 2009 CG LEU A 125 0.927 -1.783 -21.941 1.00 10.20 C ATOM 2010 CD1 LEU A 125 2.277 -1.083 -21.960 1.00 22.21 C ATOM 2011 CD2 LEU A 125 1.103 -3.289 -22.067 1.00 31.12 C ATOM 0 H LEU A 125 -1.939 -0.177 -20.408 1.00 42.52 H new ATOM 0 HA LEU A 125 -1.386 -2.762 -21.349 1.00 52.31 H new ATOM 0 HB2 LEU A 125 -0.002 -0.360 -20.642 1.00 75.51 H new ATOM 0 HB3 LEU A 125 0.793 -1.680 -19.808 1.00 75.51 H new ATOM 0 HG LEU A 125 0.347 -1.433 -22.795 1.00 10.20 H new ATOM 0 HD11 LEU A 125 2.808 -1.341 -22.877 1.00 22.21 H new ATOM 0 HD12 LEU A 125 2.128 -0.004 -21.918 1.00 22.21 H new ATOM 0 HD13 LEU A 125 2.864 -1.402 -21.099 1.00 22.21 H new ATOM 0 HD21 LEU A 125 1.649 -3.516 -22.982 1.00 31.12 H new ATOM 0 HD22 LEU A 125 1.661 -3.663 -21.209 1.00 31.12 H new ATOM 0 HD23 LEU A 125 0.125 -3.768 -22.100 1.00 31.12 H new ATOM 2023 N VAL A 126 -0.945 -2.405 -18.082 1.00 71.10 N ATOM 2024 CA VAL A 126 -0.891 -3.139 -16.824 1.00 22.54 C ATOM 2025 C VAL A 126 -2.222 -3.821 -16.527 1.00 11.40 C ATOM 2026 O VAL A 126 -2.265 -4.870 -15.885 1.00 2.23 O ATOM 2027 CB VAL A 126 -0.528 -2.213 -15.648 1.00 44.22 C ATOM 2028 CG1 VAL A 126 0.783 -1.492 -15.922 1.00 3.51 C ATOM 2029 CG2 VAL A 126 -1.649 -1.218 -15.388 1.00 62.04 C ATOM 0 H VAL A 126 -0.813 -1.398 -17.989 1.00 71.10 H new ATOM 0 HA VAL A 126 -0.115 -3.896 -16.934 1.00 22.54 H new ATOM 0 HB VAL A 126 -0.400 -2.823 -14.754 1.00 44.22 H new ATOM 0 HG11 VAL A 126 1.024 -0.842 -15.081 1.00 3.51 H new ATOM 0 HG12 VAL A 126 1.580 -2.224 -16.055 1.00 3.51 H new ATOM 0 HG13 VAL A 126 0.686 -0.893 -16.827 1.00 3.51 H new ATOM 0 HG21 VAL A 126 -1.376 -0.572 -14.554 1.00 62.04 H new ATOM 0 HG22 VAL A 126 -1.811 -0.611 -16.279 1.00 62.04 H new ATOM 0 HG23 VAL A 126 -2.565 -1.757 -15.144 1.00 62.04 H new ATOM 2039 N SER A 127 -3.308 -3.217 -17.000 1.00 2.34 N ATOM 2040 CA SER A 127 -4.642 -3.763 -16.782 1.00 72.23 C ATOM 2041 C SER A 127 -4.706 -5.227 -17.209 1.00 1.33 C ATOM 2042 O SER A 127 -5.472 -6.013 -16.652 1.00 51.33 O ATOM 2043 CB SER A 127 -5.682 -2.949 -17.555 1.00 63.33 C ATOM 2044 OG SER A 127 -6.493 -2.190 -16.675 1.00 64.41 O ATOM 0 H SER A 127 -3.290 -2.350 -17.536 1.00 2.34 H new ATOM 0 HA SER A 127 -4.863 -3.703 -15.716 1.00 72.23 H new ATOM 0 HB2 SER A 127 -5.179 -2.283 -18.256 1.00 63.33 H new ATOM 0 HB3 SER A 127 -6.308 -3.619 -18.144 1.00 63.33 H new ATOM 0 HG SER A 127 -7.148 -1.678 -17.194 1.00 64.41 H new ATOM 2050 N GLN A 128 -3.895 -5.584 -18.199 1.00 51.44 N ATOM 2051 CA GLN A 128 -3.860 -6.952 -18.701 1.00 64.24 C ATOM 2052 C GLN A 128 -3.535 -7.935 -17.581 1.00 14.31 C ATOM 2053 O GLN A 128 -4.171 -8.982 -17.457 1.00 42.12 O ATOM 2054 CB GLN A 128 -2.827 -7.080 -19.823 1.00 1.15 C ATOM 2055 CG GLN A 128 -3.368 -6.708 -21.194 1.00 32.34 C ATOM 2056 CD GLN A 128 -4.575 -7.536 -21.589 1.00 20.43 C ATOM 2057 OE1 GLN A 128 -4.602 -8.751 -21.386 1.00 15.42 O ATOM 2058 NE2 GLN A 128 -5.582 -6.883 -22.156 1.00 43.44 N ATOM 0 H GLN A 128 -3.254 -4.945 -18.669 1.00 51.44 H new ATOM 0 HA GLN A 128 -4.847 -7.192 -19.096 1.00 64.24 H new ATOM 0 HB2 GLN A 128 -1.973 -6.443 -19.594 1.00 1.15 H new ATOM 0 HB3 GLN A 128 -2.460 -8.106 -19.853 1.00 1.15 H new ATOM 0 HG2 GLN A 128 -3.639 -5.652 -21.199 1.00 32.34 H new ATOM 0 HG3 GLN A 128 -2.583 -6.839 -21.938 1.00 32.34 H new ATOM 0 HE21 GLN A 128 -5.517 -5.876 -22.305 1.00 43.44 H new ATOM 0 HE22 GLN A 128 -6.421 -7.388 -22.442 1.00 43.44 H new ATOM 2067 N ASP A 129 -2.543 -7.590 -16.768 1.00 32.34 N ATOM 2068 CA ASP A 129 -2.135 -8.442 -15.656 1.00 43.24 C ATOM 2069 C ASP A 129 -1.602 -9.778 -16.163 1.00 72.43 C ATOM 2070 O ASP A 129 -1.697 -10.796 -15.477 1.00 23.02 O ATOM 2071 CB ASP A 129 -3.310 -8.674 -14.706 1.00 21.44 C ATOM 2072 CG ASP A 129 -2.865 -8.843 -13.266 1.00 73.31 C ATOM 2073 OD1 ASP A 129 -2.170 -7.943 -12.750 1.00 62.11 O ATOM 2074 OD2 ASP A 129 -3.213 -9.875 -12.655 1.00 74.01 O ATOM 0 H ASP A 129 -2.007 -6.727 -16.857 1.00 32.34 H new ATOM 0 HA ASP A 129 -1.336 -7.935 -15.115 1.00 43.24 H new ATOM 0 HB2 ASP A 129 -4.000 -7.833 -14.774 1.00 21.44 H new ATOM 0 HB3 ASP A 129 -3.858 -9.562 -15.021 1.00 21.44 H new ATOM 2079 N ARG A 130 -1.043 -9.768 -17.369 1.00 74.11 N ATOM 2080 CA ARG A 130 -0.498 -10.980 -17.969 1.00 0.12 C ATOM 2081 C ARG A 130 0.174 -10.671 -19.303 1.00 43.13 C ATOM 2082 O ARG A 130 -0.252 -11.156 -20.352 1.00 33.43 O ATOM 2083 CB ARG A 130 -1.604 -12.017 -18.171 1.00 13.10 C ATOM 2084 CG ARG A 130 -1.106 -13.453 -18.140 1.00 14.43 C ATOM 2085 CD ARG A 130 -1.905 -14.340 -19.082 1.00 12.14 C ATOM 2086 NE ARG A 130 -2.640 -15.378 -18.364 1.00 62.32 N ATOM 2087 CZ ARG A 130 -3.425 -16.268 -18.961 1.00 30.44 C ATOM 2088 NH1 ARG A 130 -3.576 -16.247 -20.278 1.00 13.24 N ATOM 2089 NH2 ARG A 130 -4.061 -17.183 -18.239 1.00 64.02 N ATOM 0 H ARG A 130 -0.956 -8.934 -17.950 1.00 74.11 H new ATOM 0 HA ARG A 130 0.251 -11.386 -17.290 1.00 0.12 H new ATOM 0 HB2 ARG A 130 -2.359 -11.886 -17.396 1.00 13.10 H new ATOM 0 HB3 ARG A 130 -2.094 -11.832 -19.127 1.00 13.10 H new ATOM 0 HG2 ARG A 130 -0.053 -13.480 -18.419 1.00 14.43 H new ATOM 0 HG3 ARG A 130 -1.177 -13.842 -17.124 1.00 14.43 H new ATOM 0 HD2 ARG A 130 -2.605 -13.727 -19.650 1.00 12.14 H new ATOM 0 HD3 ARG A 130 -1.231 -14.805 -19.801 1.00 12.14 H new ATOM 0 HE ARG A 130 -2.545 -15.422 -17.349 1.00 62.32 H new ATOM 0 HH11 ARG A 130 -3.089 -15.546 -20.836 1.00 13.24 H new ATOM 0 HH12 ARG A 130 -4.179 -16.932 -20.733 1.00 13.24 H new ATOM 0 HH21 ARG A 130 -3.947 -17.203 -17.226 1.00 64.02 H new ATOM 0 HH22 ARG A 130 -4.664 -17.866 -18.698 1.00 64.02 H new ATOM 2103 N CYS A 131 1.226 -9.861 -19.256 1.00 50.23 N ATOM 2104 CA CYS A 131 1.957 -9.486 -20.462 1.00 13.33 C ATOM 2105 C CYS A 131 3.425 -9.219 -20.147 1.00 11.25 C ATOM 2106 O CYS A 131 3.756 -8.688 -19.087 1.00 11.31 O ATOM 2107 CB CYS A 131 1.326 -8.247 -21.101 1.00 24.53 C ATOM 2108 SG CYS A 131 0.501 -8.569 -22.677 1.00 21.31 S ATOM 0 H CYS A 131 1.592 -9.451 -18.396 1.00 50.23 H new ATOM 0 HA CYS A 131 1.901 -10.317 -21.165 1.00 13.33 H new ATOM 0 HB2 CYS A 131 0.603 -7.821 -20.405 1.00 24.53 H new ATOM 0 HB3 CYS A 131 2.101 -7.496 -21.255 1.00 24.53 H new ATOM 0 HG CYS A 131 -0.003 -7.462 -23.137 1.00 21.31 H new ATOM 2114 N ALA A 132 4.301 -9.592 -21.073 1.00 61.53 N ATOM 2115 CA ALA A 132 5.734 -9.393 -20.895 1.00 31.25 C ATOM 2116 C ALA A 132 6.344 -8.684 -22.099 1.00 11.55 C ATOM 2117 O ALA A 132 6.283 -9.184 -23.221 1.00 54.52 O ATOM 2118 CB ALA A 132 6.427 -10.727 -20.659 1.00 31.04 C ATOM 0 H ALA A 132 4.043 -10.034 -21.955 1.00 61.53 H new ATOM 0 HA ALA A 132 5.881 -8.759 -20.020 1.00 31.25 H new ATOM 0 HB1 ALA A 132 7.497 -10.563 -20.528 1.00 31.04 H new ATOM 0 HB2 ALA A 132 6.019 -11.195 -19.763 1.00 31.04 H new ATOM 0 HB3 ALA A 132 6.262 -11.379 -21.517 1.00 31.04 H new ATOM 2124 N GLU A 133 6.931 -7.516 -21.856 1.00 42.35 N ATOM 2125 CA GLU A 133 7.551 -6.738 -22.923 1.00 13.53 C ATOM 2126 C GLU A 133 8.810 -6.035 -22.422 1.00 54.25 C ATOM 2127 O GLU A 133 8.879 -5.607 -21.270 1.00 50.12 O ATOM 2128 CB GLU A 133 6.562 -5.707 -23.472 1.00 44.15 C ATOM 2129 CG GLU A 133 5.993 -6.074 -24.833 1.00 24.44 C ATOM 2130 CD GLU A 133 4.721 -6.894 -24.731 1.00 5.51 C ATOM 2131 OE1 GLU A 133 3.744 -6.398 -24.132 1.00 31.21 O ATOM 2132 OE2 GLU A 133 4.703 -8.029 -25.250 1.00 24.24 O ATOM 0 H GLU A 133 6.990 -7.088 -20.932 1.00 42.35 H new ATOM 0 HA GLU A 133 7.832 -7.423 -23.723 1.00 13.53 H new ATOM 0 HB2 GLU A 133 5.742 -5.590 -22.764 1.00 44.15 H new ATOM 0 HB3 GLU A 133 7.061 -4.740 -23.545 1.00 44.15 H new ATOM 0 HG2 GLU A 133 5.789 -5.163 -25.395 1.00 24.44 H new ATOM 0 HG3 GLU A 133 6.739 -6.636 -25.395 1.00 24.44 H new ATOM 2139 N VAL A 134 9.804 -5.920 -23.298 1.00 34.14 N ATOM 2140 CA VAL A 134 11.060 -5.269 -22.946 1.00 61.42 C ATOM 2141 C VAL A 134 11.694 -4.605 -24.163 1.00 52.22 C ATOM 2142 O VAL A 134 11.805 -5.211 -25.229 1.00 71.41 O ATOM 2143 CB VAL A 134 12.062 -6.272 -22.343 1.00 12.23 C ATOM 2144 CG1 VAL A 134 12.289 -7.438 -23.293 1.00 11.31 C ATOM 2145 CG2 VAL A 134 13.375 -5.579 -22.013 1.00 1.35 C ATOM 0 H VAL A 134 9.763 -6.269 -24.256 1.00 34.14 H new ATOM 0 HA VAL A 134 10.825 -4.509 -22.201 1.00 61.42 H new ATOM 0 HB VAL A 134 11.642 -6.666 -21.417 1.00 12.23 H new ATOM 0 HG11 VAL A 134 13.000 -8.136 -22.850 1.00 11.31 H new ATOM 0 HG12 VAL A 134 11.343 -7.949 -23.474 1.00 11.31 H new ATOM 0 HG13 VAL A 134 12.687 -7.066 -24.237 1.00 11.31 H new ATOM 0 HG21 VAL A 134 14.071 -6.302 -21.588 1.00 1.35 H new ATOM 0 HG22 VAL A 134 13.802 -5.156 -22.922 1.00 1.35 H new ATOM 0 HG23 VAL A 134 13.194 -4.782 -21.292 1.00 1.35 H new ATOM 2155 N THR A 135 12.109 -3.353 -23.998 1.00 5.24 N ATOM 2156 CA THR A 135 12.732 -2.604 -25.082 1.00 71.43 C ATOM 2157 C THR A 135 14.017 -1.928 -24.617 1.00 73.54 C ATOM 2158 O THR A 135 14.001 -1.104 -23.703 1.00 14.43 O ATOM 2159 CB THR A 135 11.778 -1.535 -25.647 1.00 12.13 C ATOM 2160 OG1 THR A 135 10.490 -1.654 -25.032 1.00 72.24 O ATOM 2161 CG2 THR A 135 11.641 -1.674 -27.155 1.00 53.13 C ATOM 0 H THR A 135 12.025 -2.836 -23.123 1.00 5.24 H new ATOM 0 HA THR A 135 12.967 -3.322 -25.867 1.00 71.43 H new ATOM 0 HB THR A 135 12.196 -0.553 -25.426 1.00 12.13 H new ATOM 0 HG1 THR A 135 10.557 -1.418 -24.083 1.00 72.24 H new ATOM 0 HG21 THR A 135 10.962 -0.908 -27.531 1.00 53.13 H new ATOM 0 HG22 THR A 135 12.619 -1.553 -27.622 1.00 53.13 H new ATOM 0 HG23 THR A 135 11.244 -2.660 -27.395 1.00 53.13 H new ATOM 2169 N LEU A 136 15.129 -2.282 -25.252 1.00 53.15 N ATOM 2170 CA LEU A 136 16.424 -1.708 -24.904 1.00 70.22 C ATOM 2171 C LEU A 136 17.246 -1.419 -26.156 1.00 52.22 C ATOM 2172 O LEU A 136 17.554 -2.324 -26.930 1.00 70.33 O ATOM 2173 CB LEU A 136 17.193 -2.657 -23.983 1.00 62.14 C ATOM 2174 CG LEU A 136 17.397 -4.080 -24.505 1.00 34.12 C ATOM 2175 CD1 LEU A 136 18.879 -4.394 -24.634 1.00 71.34 C ATOM 2176 CD2 LEU A 136 16.714 -5.086 -23.589 1.00 63.13 C ATOM 0 H LEU A 136 15.160 -2.964 -26.010 1.00 53.15 H new ATOM 0 HA LEU A 136 16.249 -0.767 -24.382 1.00 70.22 H new ATOM 0 HB2 LEU A 136 18.172 -2.222 -23.781 1.00 62.14 H new ATOM 0 HB3 LEU A 136 16.666 -2.713 -23.030 1.00 62.14 H new ATOM 0 HG LEU A 136 16.944 -4.153 -25.494 1.00 34.12 H new ATOM 0 HD11 LEU A 136 19.004 -5.411 -25.007 1.00 71.34 H new ATOM 0 HD12 LEU A 136 19.340 -3.693 -25.330 1.00 71.34 H new ATOM 0 HD13 LEU A 136 19.356 -4.304 -23.658 1.00 71.34 H new ATOM 0 HD21 LEU A 136 16.869 -6.093 -23.975 1.00 63.13 H new ATOM 0 HD22 LEU A 136 17.138 -5.012 -22.587 1.00 63.13 H new ATOM 0 HD23 LEU A 136 15.646 -4.874 -23.548 1.00 63.13 H new