USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 696 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 15 SER OG : rot -61:sc= 0.795 USER MOD Set 1.2: A 55 ASN : amide:sc= -0.862 K(o=0.63,f=-3.4!) USER MOD Set 1.3: A 56 SER OG : rot 120:sc= 0.698 USER MOD Set 1.4: A 87 ASN :FLIP amide:sc= 0 F(o=0.026,f=0.63) USER MOD Set 1.5: A 89 MET CE :methyl 151:sc= 0 (180deg=0) USER MOD Set 2.1: A 34 TYR OH : rot 3:sc= 2.4 USER MOD Set 2.2: A 40 SER OG : rot 0:sc= 1.28 USER MOD Set 2.3: A 53 ASN : amide:sc= -1.81! C(o=1.9!,f=-0.97!) USER MOD Set 3.1: A 10 ASN : amide:sc= -0.136 X(o=0.17,f=0.62) USER MOD Set 3.2: A 62 SER OG : rot -43:sc= 0.31 USER MOD Single : A 11 THR OG1 : rot 30:sc= 0.336 USER MOD Single : A 12 TYR OH : rot -134:sc= 0.568 USER MOD Single : A 18 TYR OH : rot 109:sc= 0.861 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0975 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 77:sc= 1.24 USER MOD Single : A 33 MET CE :methyl -154:sc= -1.37 (180deg=-2.97) USER MOD Single : A 36 MET CE :methyl -177:sc= -0.972 (180deg=-0.998) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc=-0.00396 USER MOD Single : A 46 TYR OH : rot 87:sc= 0.923 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.0657 F(o=-1.1,f=-0.066) USER MOD Single : A 60 THR OG1 : rot 19:sc= 0.168 USER MOD Single : A 61 THR OG1 : rot 150:sc= -2.53! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -160:sc= 1.35 (180deg=1.25) USER MOD Single : A 76 CYS SG : rot 172:sc= -2.48! USER MOD Single : A 90 THR OG1 : rot 150:sc= 1.41 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 122 N PHE A 9 -0.020 -2.528 -22.602 1.00 0.00 N ATOM 123 CA PHE A 9 -0.027 -1.634 -23.715 1.00 0.00 C ATOM 124 C PHE A 9 -0.862 -2.243 -24.783 1.00 0.00 C ATOM 125 O PHE A 9 -0.559 -3.324 -25.282 1.00 0.00 O ATOM 126 CB PHE A 9 1.380 -1.351 -24.238 1.00 0.00 C ATOM 127 CG PHE A 9 2.190 -0.439 -23.373 1.00 0.00 C ATOM 128 CD1 PHE A 9 2.811 -0.907 -22.234 1.00 0.00 C ATOM 129 CD2 PHE A 9 2.327 0.899 -23.707 1.00 0.00 C ATOM 130 CE1 PHE A 9 3.555 -0.065 -21.443 1.00 0.00 C ATOM 131 CE2 PHE A 9 3.071 1.750 -22.916 1.00 0.00 C ATOM 132 CZ PHE A 9 3.686 1.268 -21.781 1.00 0.00 C ATOM 0 HA PHE A 9 -0.437 -0.675 -23.398 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.911 -2.297 -24.345 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.303 -0.914 -25.234 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.711 -1.947 -21.961 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.846 1.280 -24.596 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.038 -0.446 -20.555 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.171 2.791 -23.186 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.269 1.930 -21.158 1.00 0.00 H new ATOM 142 N ASN A 10 -1.913 -1.588 -25.120 1.00 0.00 N ATOM 143 CA ASN A 10 -2.816 -2.101 -26.110 1.00 0.00 C ATOM 144 C ASN A 10 -2.360 -1.609 -27.441 1.00 0.00 C ATOM 145 O ASN A 10 -1.337 -0.926 -27.523 1.00 0.00 O ATOM 146 CB ASN A 10 -4.255 -1.685 -25.805 1.00 0.00 C ATOM 147 CG ASN A 10 -4.762 -2.306 -24.509 1.00 0.00 C ATOM 148 OD1 ASN A 10 -5.412 -3.351 -24.515 1.00 0.00 O ATOM 149 ND2 ASN A 10 -4.412 -1.721 -23.393 1.00 0.00 N ATOM 0 H ASN A 10 -2.179 -0.686 -24.726 1.00 0.00 H new ATOM 0 HA ASN A 10 -2.809 -3.191 -26.106 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.312 -0.599 -25.734 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.902 -1.985 -26.629 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.678 -2.130 -22.497 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.873 -0.855 -23.418 1.00 0.00 H new ATOM 156 N THR A 11 -3.027 -1.937 -28.471 1.00 0.00 N ATOM 157 CA THR A 11 -2.586 -1.485 -29.721 1.00 0.00 C ATOM 158 C THR A 11 -3.742 -1.005 -30.602 1.00 0.00 C ATOM 159 O THR A 11 -4.775 -1.672 -30.767 1.00 0.00 O ATOM 160 CB THR A 11 -1.632 -2.516 -30.397 1.00 0.00 C ATOM 161 OG1 THR A 11 -0.993 -1.955 -31.555 1.00 0.00 O ATOM 162 CG2 THR A 11 -2.337 -3.824 -30.750 1.00 0.00 C ATOM 0 H THR A 11 -3.871 -2.510 -28.475 1.00 0.00 H new ATOM 0 HA THR A 11 -1.977 -0.594 -29.566 1.00 0.00 H new ATOM 0 HB THR A 11 -0.865 -2.754 -29.661 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.883 -0.989 -31.432 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.627 -4.505 -31.218 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.734 -4.280 -29.843 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.155 -3.621 -31.442 1.00 0.00 H new ATOM 170 N TYR A 12 -3.567 0.178 -31.119 1.00 0.00 N ATOM 171 CA TYR A 12 -4.549 0.839 -31.927 1.00 0.00 C ATOM 172 C TYR A 12 -3.982 1.157 -33.270 1.00 0.00 C ATOM 173 O TYR A 12 -2.779 1.083 -33.470 1.00 0.00 O ATOM 174 CB TYR A 12 -4.975 2.137 -31.279 1.00 0.00 C ATOM 175 CG TYR A 12 -5.797 2.004 -30.031 1.00 0.00 C ATOM 176 CD1 TYR A 12 -7.188 1.934 -30.087 1.00 0.00 C ATOM 177 CD2 TYR A 12 -5.185 1.997 -28.790 1.00 0.00 C ATOM 178 CE1 TYR A 12 -7.931 1.853 -28.920 1.00 0.00 C ATOM 179 CE2 TYR A 12 -5.914 1.926 -27.635 1.00 0.00 C ATOM 180 CZ TYR A 12 -7.280 1.857 -27.694 1.00 0.00 C ATOM 181 OH TYR A 12 -8.001 1.807 -26.518 1.00 0.00 O ATOM 0 H TYR A 12 -2.715 0.722 -30.986 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.405 0.172 -32.028 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.081 2.714 -31.043 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.544 2.715 -32.007 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.689 1.943 -31.044 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.108 2.049 -28.732 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -9.008 1.787 -28.964 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.413 1.924 -26.678 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.651 2.474 -25.891 1.00 0.00 H new ATOM 191 N VAL A 13 -4.850 1.525 -34.151 1.00 0.00 N ATOM 192 CA VAL A 13 -4.543 1.919 -35.497 1.00 0.00 C ATOM 193 C VAL A 13 -5.244 3.233 -35.811 1.00 0.00 C ATOM 194 O VAL A 13 -6.398 3.437 -35.448 1.00 0.00 O ATOM 195 CB VAL A 13 -4.962 0.820 -36.526 1.00 0.00 C ATOM 196 CG1 VAL A 13 -4.961 1.344 -37.942 1.00 0.00 C ATOM 197 CG2 VAL A 13 -4.003 -0.329 -36.464 1.00 0.00 C ATOM 0 H VAL A 13 -5.849 1.563 -33.947 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.464 2.050 -35.580 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.972 0.505 -36.262 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.258 0.548 -38.625 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.664 2.173 -38.024 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.960 1.690 -38.201 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.301 -1.091 -37.184 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.999 0.022 -36.702 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.010 -0.755 -35.461 1.00 0.00 H new ATOM 207 N VAL A 14 -4.551 4.109 -36.443 1.00 0.00 N ATOM 208 CA VAL A 14 -5.095 5.351 -36.835 1.00 0.00 C ATOM 209 C VAL A 14 -5.034 5.484 -38.336 1.00 0.00 C ATOM 210 O VAL A 14 -4.021 5.204 -38.951 1.00 0.00 O ATOM 211 CB VAL A 14 -4.400 6.542 -36.138 1.00 0.00 C ATOM 212 CG1 VAL A 14 -2.889 6.503 -36.320 1.00 0.00 C ATOM 213 CG2 VAL A 14 -4.972 7.862 -36.632 1.00 0.00 C ATOM 0 H VAL A 14 -3.574 3.978 -36.705 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.138 5.376 -36.518 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.599 6.457 -35.070 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.439 7.358 -35.815 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.495 5.581 -35.893 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.649 6.543 -37.383 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.469 8.688 -36.129 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.818 7.945 -37.708 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.039 7.900 -36.414 1.00 0.00 H new ATOM 223 N SER A 15 -6.117 5.858 -38.895 1.00 0.00 N ATOM 224 CA SER A 15 -6.231 6.063 -40.300 1.00 0.00 C ATOM 225 C SER A 15 -6.387 7.554 -40.558 1.00 0.00 C ATOM 226 O SER A 15 -7.343 8.169 -40.083 1.00 0.00 O ATOM 227 CB SER A 15 -7.420 5.254 -40.815 1.00 0.00 C ATOM 228 OG SER A 15 -7.191 3.862 -40.612 1.00 0.00 O ATOM 0 H SER A 15 -6.980 6.038 -38.381 1.00 0.00 H new ATOM 0 HA SER A 15 -5.343 5.723 -40.832 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.329 5.560 -40.298 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.574 5.454 -41.875 1.00 0.00 H new ATOM 0 HG SER A 15 -6.393 3.586 -41.109 1.00 0.00 H new ATOM 234 N PHE A 16 -5.423 8.139 -41.228 1.00 0.00 N ATOM 235 CA PHE A 16 -5.434 9.559 -41.501 1.00 0.00 C ATOM 236 C PHE A 16 -5.959 9.871 -42.867 1.00 0.00 C ATOM 237 O PHE A 16 -5.628 9.192 -43.844 1.00 0.00 O ATOM 238 CB PHE A 16 -4.045 10.175 -41.367 1.00 0.00 C ATOM 239 CG PHE A 16 -3.597 10.381 -39.970 1.00 0.00 C ATOM 240 CD1 PHE A 16 -2.920 9.400 -39.286 1.00 0.00 C ATOM 241 CD2 PHE A 16 -3.861 11.575 -39.336 1.00 0.00 C ATOM 242 CE1 PHE A 16 -2.516 9.612 -37.993 1.00 0.00 C ATOM 243 CE2 PHE A 16 -3.462 11.787 -38.049 1.00 0.00 C ATOM 244 CZ PHE A 16 -2.787 10.806 -37.372 1.00 0.00 C ATOM 0 H PHE A 16 -4.610 7.647 -41.599 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.100 9.993 -40.755 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.326 9.532 -41.875 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.036 11.135 -41.884 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.705 8.458 -39.769 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.391 12.353 -39.865 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.983 8.837 -37.462 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.678 12.728 -37.564 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.469 10.971 -36.353 1.00 0.00 H new ATOM 254 N ASP A 17 -6.744 10.912 -42.950 1.00 0.00 N ATOM 255 CA ASP A 17 -7.227 11.361 -44.227 1.00 0.00 C ATOM 256 C ASP A 17 -7.141 12.817 -44.291 1.00 0.00 C ATOM 257 O ASP A 17 -7.470 13.530 -43.316 1.00 0.00 O ATOM 258 CB ASP A 17 -8.622 10.936 -44.513 1.00 0.00 C ATOM 259 CG ASP A 17 -8.969 11.078 -45.991 1.00 0.00 C ATOM 260 OD1 ASP A 17 -8.524 10.247 -46.805 1.00 0.00 O ATOM 261 OD2 ASP A 17 -9.668 12.033 -46.375 1.00 0.00 O ATOM 0 H ASP A 17 -7.061 11.462 -42.152 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.595 10.898 -44.985 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.755 9.898 -44.207 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.313 11.535 -43.919 1.00 0.00 H new ATOM 266 N TYR A 18 -6.709 13.267 -45.394 1.00 0.00 N ATOM 267 CA TYR A 18 -6.447 14.623 -45.614 1.00 0.00 C ATOM 268 C TYR A 18 -6.277 14.795 -47.101 1.00 0.00 C ATOM 269 O TYR A 18 -5.965 13.815 -47.788 1.00 0.00 O ATOM 270 CB TYR A 18 -5.161 14.964 -44.834 1.00 0.00 C ATOM 271 CG TYR A 18 -3.938 14.121 -45.225 1.00 0.00 C ATOM 272 CD1 TYR A 18 -3.103 14.482 -46.279 1.00 0.00 C ATOM 273 CD2 TYR A 18 -3.653 12.940 -44.545 1.00 0.00 C ATOM 274 CE1 TYR A 18 -2.035 13.687 -46.643 1.00 0.00 C ATOM 275 CE2 TYR A 18 -2.585 12.152 -44.896 1.00 0.00 C ATOM 276 CZ TYR A 18 -1.781 12.525 -45.946 1.00 0.00 C ATOM 277 OH TYR A 18 -0.733 11.721 -46.317 1.00 0.00 O ATOM 0 H TYR A 18 -6.520 12.676 -46.203 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.242 15.287 -45.275 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.925 16.017 -44.989 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.351 14.833 -43.769 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.294 15.397 -46.820 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.286 12.637 -43.724 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.402 13.974 -47.469 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.378 11.244 -44.350 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.021 11.781 -45.646 1.00 0.00 H new ATOM 287 N PRO A 19 -6.578 15.958 -47.650 1.00 0.00 N ATOM 288 CA PRO A 19 -6.325 16.200 -49.047 1.00 0.00 C ATOM 289 C PRO A 19 -4.825 16.183 -49.330 1.00 0.00 C ATOM 290 O PRO A 19 -4.007 16.620 -48.489 1.00 0.00 O ATOM 291 CB PRO A 19 -6.927 17.574 -49.336 1.00 0.00 C ATOM 292 CG PRO A 19 -7.232 18.186 -48.012 1.00 0.00 C ATOM 293 CD PRO A 19 -7.229 17.092 -46.978 1.00 0.00 C ATOM 0 HA PRO A 19 -6.765 15.432 -49.682 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.229 18.194 -49.899 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.830 17.483 -49.939 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.491 18.946 -47.764 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.202 18.683 -48.037 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.682 17.391 -46.084 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.242 16.840 -46.663 1.00 0.00 H new ATOM 301 N SER A 20 -4.473 15.713 -50.508 1.00 0.00 N ATOM 302 CA SER A 20 -3.097 15.546 -50.953 1.00 0.00 C ATOM 303 C SER A 20 -2.348 16.888 -50.931 1.00 0.00 C ATOM 304 O SER A 20 -1.121 16.932 -50.894 1.00 0.00 O ATOM 305 CB SER A 20 -3.094 14.930 -52.369 1.00 0.00 C ATOM 306 OG SER A 20 -1.787 14.549 -52.782 1.00 0.00 O ATOM 0 H SER A 20 -5.156 15.426 -51.209 1.00 0.00 H new ATOM 0 HA SER A 20 -2.576 14.873 -50.271 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.748 14.058 -52.386 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.503 15.650 -53.078 1.00 0.00 H new ATOM 0 HG SER A 20 -1.828 14.163 -53.682 1.00 0.00 H new ATOM 312 N SER A 21 -3.104 17.963 -50.928 1.00 0.00 N ATOM 313 CA SER A 21 -2.609 19.312 -50.854 1.00 0.00 C ATOM 314 C SER A 21 -1.749 19.545 -49.578 1.00 0.00 C ATOM 315 O SER A 21 -0.870 20.408 -49.563 1.00 0.00 O ATOM 316 CB SER A 21 -3.825 20.204 -50.821 1.00 0.00 C ATOM 317 OG SER A 21 -4.787 19.704 -51.737 1.00 0.00 O ATOM 0 H SER A 21 -4.122 17.915 -50.979 1.00 0.00 H new ATOM 0 HA SER A 21 -1.964 19.524 -51.707 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.243 20.235 -49.815 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.550 21.226 -51.083 1.00 0.00 H new ATOM 0 HG SER A 21 -5.582 20.277 -51.721 1.00 0.00 H new ATOM 323 N TYR A 22 -2.001 18.766 -48.523 1.00 0.00 N ATOM 324 CA TYR A 22 -1.269 18.915 -47.265 1.00 0.00 C ATOM 325 C TYR A 22 -0.334 17.755 -47.031 1.00 0.00 C ATOM 326 O TYR A 22 0.098 17.526 -45.901 1.00 0.00 O ATOM 327 CB TYR A 22 -2.215 18.983 -46.083 1.00 0.00 C ATOM 328 CG TYR A 22 -3.203 20.093 -46.116 1.00 0.00 C ATOM 329 CD1 TYR A 22 -2.826 21.387 -45.830 1.00 0.00 C ATOM 330 CD2 TYR A 22 -4.512 19.842 -46.435 1.00 0.00 C ATOM 331 CE1 TYR A 22 -3.736 22.411 -45.873 1.00 0.00 C ATOM 332 CE2 TYR A 22 -5.440 20.849 -46.476 1.00 0.00 C ATOM 333 CZ TYR A 22 -5.045 22.142 -46.196 1.00 0.00 C ATOM 334 OH TYR A 22 -5.951 23.175 -46.269 1.00 0.00 O ATOM 0 H TYR A 22 -2.705 18.028 -48.516 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.703 19.842 -47.350 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.757 18.039 -46.019 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.624 19.073 -45.172 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.799 21.597 -45.568 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.818 18.831 -46.658 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.427 23.422 -45.655 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.469 20.634 -46.725 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.833 22.821 -46.509 1.00 0.00 H new ATOM 344 N SER A 23 0.016 17.053 -48.075 1.00 0.00 N ATOM 345 CA SER A 23 0.854 15.890 -47.943 1.00 0.00 C ATOM 346 C SER A 23 2.228 16.274 -47.401 1.00 0.00 C ATOM 347 O SER A 23 2.704 15.649 -46.474 1.00 0.00 O ATOM 348 CB SER A 23 0.946 15.147 -49.275 1.00 0.00 C ATOM 349 OG SER A 23 1.695 13.943 -49.187 1.00 0.00 O ATOM 0 H SER A 23 -0.267 17.267 -49.031 1.00 0.00 H new ATOM 0 HA SER A 23 0.404 15.209 -47.220 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.060 14.918 -49.628 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.404 15.800 -50.018 1.00 0.00 H new ATOM 0 HG SER A 23 1.720 13.509 -50.065 1.00 0.00 H new ATOM 355 N SER A 24 2.795 17.374 -47.889 1.00 0.00 N ATOM 356 CA SER A 24 4.127 17.793 -47.466 1.00 0.00 C ATOM 357 C SER A 24 4.111 18.250 -46.004 1.00 0.00 C ATOM 358 O SER A 24 5.099 18.130 -45.277 1.00 0.00 O ATOM 359 CB SER A 24 4.626 18.914 -48.364 1.00 0.00 C ATOM 360 OG SER A 24 4.495 18.562 -49.743 1.00 0.00 O ATOM 0 H SER A 24 2.355 17.988 -48.574 1.00 0.00 H new ATOM 0 HA SER A 24 4.803 16.942 -47.550 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.062 19.825 -48.162 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.670 19.129 -48.137 1.00 0.00 H new ATOM 0 HG SER A 24 4.821 19.299 -50.301 1.00 0.00 H new ATOM 366 N VAL A 25 2.959 18.677 -45.571 1.00 0.00 N ATOM 367 CA VAL A 25 2.768 19.198 -44.236 1.00 0.00 C ATOM 368 C VAL A 25 2.602 18.058 -43.272 1.00 0.00 C ATOM 369 O VAL A 25 3.109 18.067 -42.147 1.00 0.00 O ATOM 370 CB VAL A 25 1.513 20.095 -44.175 1.00 0.00 C ATOM 371 CG1 VAL A 25 1.177 20.446 -42.748 1.00 0.00 C ATOM 372 CG2 VAL A 25 1.716 21.348 -44.992 1.00 0.00 C ATOM 0 H VAL A 25 2.111 18.675 -46.138 1.00 0.00 H new ATOM 0 HA VAL A 25 3.642 19.792 -43.969 1.00 0.00 H new ATOM 0 HB VAL A 25 0.676 19.539 -44.598 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.290 21.079 -42.728 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.985 19.533 -42.184 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.014 20.981 -42.298 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.821 21.967 -44.937 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.567 21.904 -44.599 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.907 21.078 -46.031 1.00 0.00 H new ATOM 382 N PHE A 26 1.962 17.053 -43.735 1.00 0.00 N ATOM 383 CA PHE A 26 1.651 15.942 -42.938 1.00 0.00 C ATOM 384 C PHE A 26 2.889 15.094 -42.678 1.00 0.00 C ATOM 385 O PHE A 26 2.960 14.362 -41.695 1.00 0.00 O ATOM 386 CB PHE A 26 0.537 15.160 -43.598 1.00 0.00 C ATOM 387 CG PHE A 26 0.491 13.736 -43.158 1.00 0.00 C ATOM 388 CD1 PHE A 26 -0.107 13.392 -41.963 1.00 0.00 C ATOM 389 CD2 PHE A 26 1.115 12.751 -43.905 1.00 0.00 C ATOM 390 CE1 PHE A 26 -0.079 12.091 -41.520 1.00 0.00 C ATOM 391 CE2 PHE A 26 1.134 11.451 -43.473 1.00 0.00 C ATOM 392 CZ PHE A 26 0.544 11.121 -42.280 1.00 0.00 C ATOM 0 H PHE A 26 1.635 16.983 -44.699 1.00 0.00 H new ATOM 0 HA PHE A 26 1.301 16.272 -41.960 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.417 15.636 -43.373 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.665 15.197 -44.680 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.600 14.150 -41.372 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.592 13.010 -44.839 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.543 11.828 -40.581 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.612 10.689 -44.070 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.567 10.098 -41.933 1.00 0.00 H new ATOM 402 N LEU A 27 3.885 15.231 -43.520 1.00 0.00 N ATOM 403 CA LEU A 27 5.117 14.477 -43.350 1.00 0.00 C ATOM 404 C LEU A 27 5.802 14.930 -42.062 1.00 0.00 C ATOM 405 O LEU A 27 6.593 14.207 -41.454 1.00 0.00 O ATOM 406 CB LEU A 27 6.051 14.686 -44.531 1.00 0.00 C ATOM 407 CG LEU A 27 5.415 14.562 -45.907 1.00 0.00 C ATOM 408 CD1 LEU A 27 6.435 14.721 -47.000 1.00 0.00 C ATOM 409 CD2 LEU A 27 4.635 13.267 -46.047 1.00 0.00 C ATOM 0 H LEU A 27 3.873 15.853 -44.328 1.00 0.00 H new ATOM 0 HA LEU A 27 4.877 13.415 -43.294 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.498 15.677 -44.446 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.863 13.963 -44.460 1.00 0.00 H new ATOM 0 HG LEU A 27 4.700 15.378 -46.012 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.947 14.627 -47.970 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.901 15.703 -46.922 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.198 13.948 -46.901 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.195 13.213 -47.043 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.306 12.421 -45.901 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.843 13.236 -45.298 1.00 0.00 H new ATOM 421 N ARG A 28 5.438 16.115 -41.623 1.00 0.00 N ATOM 422 CA ARG A 28 5.950 16.649 -40.390 1.00 0.00 C ATOM 423 C ARG A 28 5.245 15.915 -39.257 1.00 0.00 C ATOM 424 O ARG A 28 5.874 15.395 -38.364 1.00 0.00 O ATOM 425 CB ARG A 28 5.693 18.166 -40.303 1.00 0.00 C ATOM 426 CG ARG A 28 6.082 18.937 -41.572 1.00 0.00 C ATOM 427 CD ARG A 28 7.512 18.663 -41.990 1.00 0.00 C ATOM 428 NE ARG A 28 8.477 19.185 -41.025 1.00 0.00 N ATOM 429 CZ ARG A 28 9.778 18.885 -41.003 1.00 0.00 C ATOM 430 NH1 ARG A 28 10.290 18.040 -41.890 1.00 0.00 N ATOM 431 NH2 ARG A 28 10.563 19.452 -40.102 1.00 0.00 N ATOM 0 H ARG A 28 4.784 16.728 -42.110 1.00 0.00 H new ATOM 0 HA ARG A 28 7.029 16.506 -40.328 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.636 18.334 -40.097 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.250 18.571 -39.458 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.409 18.662 -42.384 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.954 20.006 -41.400 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.657 17.588 -42.102 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.696 19.113 -42.966 1.00 0.00 H new ATOM 0 HE ARG A 28 8.130 19.828 -40.313 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.688 17.615 -42.595 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.285 17.816 -41.866 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.174 20.113 -39.430 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.558 19.228 -40.079 1.00 0.00 H new ATOM 445 N LEU A 29 3.933 15.784 -39.395 1.00 0.00 N ATOM 446 CA LEU A 29 3.070 15.100 -38.424 1.00 0.00 C ATOM 447 C LEU A 29 3.446 13.608 -38.340 1.00 0.00 C ATOM 448 O LEU A 29 3.409 13.012 -37.265 1.00 0.00 O ATOM 449 CB LEU A 29 1.583 15.306 -38.854 1.00 0.00 C ATOM 450 CG LEU A 29 0.420 14.869 -37.907 1.00 0.00 C ATOM 451 CD1 LEU A 29 0.182 13.383 -37.929 1.00 0.00 C ATOM 452 CD2 LEU A 29 0.652 15.334 -36.478 1.00 0.00 C ATOM 0 H LEU A 29 3.423 16.154 -40.197 1.00 0.00 H new ATOM 0 HA LEU A 29 3.206 15.519 -37.427 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.451 16.368 -39.058 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.445 14.780 -39.799 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.475 15.356 -38.293 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.637 13.136 -37.253 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.076 13.071 -38.941 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.086 12.865 -37.609 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.179 15.010 -35.851 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.580 14.904 -36.102 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.721 16.422 -36.456 1.00 0.00 H new ATOM 464 N ARG A 30 3.854 13.014 -39.469 1.00 0.00 N ATOM 465 CA ARG A 30 4.218 11.596 -39.465 1.00 0.00 C ATOM 466 C ARG A 30 5.494 11.393 -38.690 1.00 0.00 C ATOM 467 O ARG A 30 5.684 10.389 -38.039 1.00 0.00 O ATOM 468 CB ARG A 30 4.324 10.993 -40.869 1.00 0.00 C ATOM 469 CG ARG A 30 5.590 11.302 -41.641 1.00 0.00 C ATOM 470 CD ARG A 30 5.650 10.516 -42.946 1.00 0.00 C ATOM 471 NE ARG A 30 5.774 9.067 -42.685 1.00 0.00 N ATOM 472 CZ ARG A 30 5.461 8.078 -43.535 1.00 0.00 C ATOM 473 NH1 ARG A 30 5.057 8.344 -44.758 1.00 0.00 N ATOM 474 NH2 ARG A 30 5.576 6.824 -43.146 1.00 0.00 N ATOM 0 H ARG A 30 3.938 13.480 -40.372 1.00 0.00 H new ATOM 0 HA ARG A 30 3.406 11.061 -38.972 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.232 9.910 -40.784 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.473 11.340 -41.455 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.636 12.370 -41.855 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.459 11.061 -41.029 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.751 10.708 -43.532 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.498 10.856 -43.541 1.00 0.00 H new ATOM 0 HE ARG A 30 6.132 8.792 -41.770 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.979 9.312 -45.070 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.822 7.582 -45.394 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.901 6.610 -42.203 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.340 6.067 -43.788 1.00 0.00 H new ATOM 488 N SER A 31 6.332 12.380 -38.741 1.00 0.00 N ATOM 489 CA SER A 31 7.579 12.365 -38.001 1.00 0.00 C ATOM 490 C SER A 31 7.303 12.449 -36.482 1.00 0.00 C ATOM 491 O SER A 31 8.028 11.877 -35.669 1.00 0.00 O ATOM 492 CB SER A 31 8.495 13.487 -38.493 1.00 0.00 C ATOM 493 OG SER A 31 8.711 13.363 -39.913 1.00 0.00 O ATOM 0 H SER A 31 6.182 13.224 -39.293 1.00 0.00 H new ATOM 0 HA SER A 31 8.098 11.423 -38.179 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.049 14.456 -38.268 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.449 13.445 -37.967 1.00 0.00 H new ATOM 0 HG SER A 31 7.918 13.680 -40.393 1.00 0.00 H new ATOM 499 N LEU A 32 6.210 13.113 -36.122 1.00 0.00 N ATOM 500 CA LEU A 32 5.777 13.200 -34.721 1.00 0.00 C ATOM 501 C LEU A 32 5.342 11.840 -34.209 1.00 0.00 C ATOM 502 O LEU A 32 5.520 11.515 -33.044 1.00 0.00 O ATOM 503 CB LEU A 32 4.614 14.189 -34.552 1.00 0.00 C ATOM 504 CG LEU A 32 4.947 15.671 -34.315 1.00 0.00 C ATOM 505 CD1 LEU A 32 5.689 15.843 -33.008 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.752 16.259 -35.450 1.00 0.00 C ATOM 0 H LEU A 32 5.602 13.602 -36.779 1.00 0.00 H new ATOM 0 HA LEU A 32 6.631 13.555 -34.144 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.992 14.127 -35.445 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.005 13.847 -33.715 1.00 0.00 H new ATOM 0 HG LEU A 32 4.002 16.211 -34.266 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.917 16.898 -32.855 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.068 15.483 -32.187 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.617 15.272 -33.038 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.965 17.307 -35.240 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.689 15.712 -35.553 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.184 16.182 -36.377 1.00 0.00 H new ATOM 518 N MET A 33 4.758 11.066 -35.091 1.00 0.00 N ATOM 519 CA MET A 33 4.275 9.729 -34.793 1.00 0.00 C ATOM 520 C MET A 33 5.376 8.836 -34.245 1.00 0.00 C ATOM 521 O MET A 33 5.198 8.185 -33.219 1.00 0.00 O ATOM 522 CB MET A 33 3.733 9.096 -36.051 1.00 0.00 C ATOM 523 CG MET A 33 2.622 9.848 -36.698 1.00 0.00 C ATOM 524 SD MET A 33 2.041 8.990 -38.149 1.00 0.00 S ATOM 525 CE MET A 33 0.794 10.112 -38.705 1.00 0.00 C ATOM 0 H MET A 33 4.599 11.349 -36.058 1.00 0.00 H new ATOM 0 HA MET A 33 3.496 9.826 -34.036 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.547 8.990 -36.768 1.00 0.00 H new ATOM 0 HB3 MET A 33 3.384 8.091 -35.814 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.802 9.974 -35.991 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.963 10.846 -36.972 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.045 9.568 -39.280 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.319 10.584 -37.845 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.248 10.878 -39.334 1.00 0.00 H new ATOM 535 N TYR A 34 6.510 8.825 -34.924 1.00 0.00 N ATOM 536 CA TYR A 34 7.627 7.953 -34.543 1.00 0.00 C ATOM 537 C TYR A 34 8.358 8.527 -33.351 1.00 0.00 C ATOM 538 O TYR A 34 9.078 7.824 -32.647 1.00 0.00 O ATOM 539 CB TYR A 34 8.582 7.755 -35.711 1.00 0.00 C ATOM 540 CG TYR A 34 7.874 7.386 -36.988 1.00 0.00 C ATOM 541 CD1 TYR A 34 7.122 6.209 -37.097 1.00 0.00 C ATOM 542 CD2 TYR A 34 7.919 8.238 -38.075 1.00 0.00 C ATOM 543 CE1 TYR A 34 6.451 5.915 -38.263 1.00 0.00 C ATOM 544 CE2 TYR A 34 7.246 7.950 -39.231 1.00 0.00 C ATOM 545 CZ TYR A 34 6.518 6.795 -39.323 1.00 0.00 C ATOM 546 OH TYR A 34 5.842 6.516 -40.479 1.00 0.00 O ATOM 0 H TYR A 34 6.689 9.407 -35.743 1.00 0.00 H new ATOM 0 HA TYR A 34 7.223 6.979 -34.268 1.00 0.00 H new ATOM 0 HB2 TYR A 34 9.151 8.671 -35.868 1.00 0.00 H new ATOM 0 HB3 TYR A 34 9.299 6.973 -35.460 1.00 0.00 H new ATOM 0 HD1 TYR A 34 7.068 5.528 -36.261 1.00 0.00 H new ATOM 0 HD2 TYR A 34 8.496 9.148 -38.011 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.878 5.004 -38.347 1.00 0.00 H new ATOM 0 HE2 TYR A 34 7.289 8.632 -40.068 1.00 0.00 H new ATOM 0 HH TYR A 34 5.330 5.688 -40.367 1.00 0.00 H new ATOM 556 N ASP A 35 8.173 9.814 -33.138 1.00 0.00 N ATOM 557 CA ASP A 35 8.704 10.477 -31.962 1.00 0.00 C ATOM 558 C ASP A 35 7.937 9.966 -30.750 1.00 0.00 C ATOM 559 O ASP A 35 8.488 9.778 -29.663 1.00 0.00 O ATOM 560 CB ASP A 35 8.537 11.990 -32.087 1.00 0.00 C ATOM 561 CG ASP A 35 9.181 12.751 -30.956 1.00 0.00 C ATOM 562 OD1 ASP A 35 10.392 13.030 -31.038 1.00 0.00 O ATOM 563 OD2 ASP A 35 8.498 13.087 -29.966 1.00 0.00 O ATOM 0 H ASP A 35 7.655 10.426 -33.768 1.00 0.00 H new ATOM 0 HA ASP A 35 9.767 10.262 -31.857 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.969 12.320 -33.032 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.474 12.231 -32.121 1.00 0.00 H new ATOM 568 N MET A 36 6.667 9.694 -30.985 1.00 0.00 N ATOM 569 CA MET A 36 5.765 9.152 -30.001 1.00 0.00 C ATOM 570 C MET A 36 5.728 7.613 -30.130 1.00 0.00 C ATOM 571 O MET A 36 6.705 7.005 -30.563 1.00 0.00 O ATOM 572 CB MET A 36 4.376 9.789 -30.177 1.00 0.00 C ATOM 573 CG MET A 36 4.348 11.265 -29.800 1.00 0.00 C ATOM 574 SD MET A 36 2.721 12.049 -30.001 1.00 0.00 S ATOM 575 CE MET A 36 2.531 12.023 -31.781 1.00 0.00 C ATOM 0 H MET A 36 6.228 9.850 -31.892 1.00 0.00 H new ATOM 0 HA MET A 36 6.109 9.387 -28.994 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.060 9.678 -31.214 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.654 9.249 -29.564 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.665 11.370 -28.762 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.075 11.799 -30.411 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.601 12.521 -32.055 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.370 12.542 -32.244 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.506 10.990 -32.129 1.00 0.00 H new ATOM 585 N ASN A 37 4.634 6.984 -29.765 1.00 0.00 N ATOM 586 CA ASN A 37 4.571 5.507 -29.748 1.00 0.00 C ATOM 587 C ASN A 37 4.045 4.882 -31.026 1.00 0.00 C ATOM 588 O ASN A 37 3.913 3.654 -31.119 1.00 0.00 O ATOM 589 CB ASN A 37 3.766 5.001 -28.569 1.00 0.00 C ATOM 590 CG ASN A 37 4.549 5.029 -27.290 1.00 0.00 C ATOM 591 OD1 ASN A 37 5.181 4.053 -26.909 1.00 0.00 O ATOM 592 ND2 ASN A 37 4.543 6.142 -26.633 1.00 0.00 N ATOM 0 H ASN A 37 3.774 7.450 -29.475 1.00 0.00 H new ATOM 0 HA ASN A 37 5.610 5.192 -29.654 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.869 5.610 -28.456 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.436 3.981 -28.768 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.077 6.226 -25.768 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.005 6.936 -26.980 1.00 0.00 H new ATOM 599 N PHE A 38 3.714 5.698 -31.991 1.00 0.00 N ATOM 600 CA PHE A 38 3.194 5.201 -33.261 1.00 0.00 C ATOM 601 C PHE A 38 4.253 4.446 -34.069 1.00 0.00 C ATOM 602 O PHE A 38 5.459 4.616 -33.869 1.00 0.00 O ATOM 603 CB PHE A 38 2.663 6.329 -34.109 1.00 0.00 C ATOM 604 CG PHE A 38 1.547 7.067 -33.487 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.801 8.141 -32.657 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.243 6.687 -33.716 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.781 8.819 -32.065 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.786 7.364 -33.121 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.509 8.434 -32.294 1.00 0.00 C ATOM 0 H PHE A 38 3.791 6.713 -31.933 1.00 0.00 H new ATOM 0 HA PHE A 38 2.389 4.512 -33.006 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.474 7.026 -34.320 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.332 5.927 -35.066 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.821 8.446 -32.476 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.032 5.852 -34.367 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.990 9.657 -31.417 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.808 7.063 -33.297 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.319 8.971 -31.824 1.00 0.00 H new ATOM 619 N SER A 39 3.801 3.611 -34.962 1.00 0.00 N ATOM 620 CA SER A 39 4.655 2.843 -35.832 1.00 0.00 C ATOM 621 C SER A 39 3.965 2.603 -37.168 1.00 0.00 C ATOM 622 O SER A 39 2.746 2.779 -37.286 1.00 0.00 O ATOM 623 CB SER A 39 4.971 1.509 -35.192 1.00 0.00 C ATOM 624 OG SER A 39 5.636 1.689 -33.940 1.00 0.00 O ATOM 0 H SER A 39 2.807 3.440 -35.111 1.00 0.00 H new ATOM 0 HA SER A 39 5.577 3.401 -35.997 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.050 0.946 -35.041 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.599 0.920 -35.861 1.00 0.00 H new ATOM 0 HG SER A 39 5.829 0.814 -33.543 1.00 0.00 H new ATOM 630 N SER A 40 4.738 2.204 -38.155 1.00 0.00 N ATOM 631 CA SER A 40 4.226 1.925 -39.472 1.00 0.00 C ATOM 632 C SER A 40 4.111 0.446 -39.758 1.00 0.00 C ATOM 633 O SER A 40 3.634 0.059 -40.836 1.00 0.00 O ATOM 634 CB SER A 40 5.097 2.565 -40.493 1.00 0.00 C ATOM 635 OG SER A 40 5.058 3.965 -40.372 1.00 0.00 O ATOM 0 H SER A 40 5.744 2.064 -38.062 1.00 0.00 H new ATOM 0 HA SER A 40 3.218 2.338 -39.517 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.122 2.213 -40.376 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.772 2.272 -41.491 1.00 0.00 H new ATOM 0 HG SER A 40 4.460 4.213 -39.637 1.00 0.00 H new ATOM 641 N ILE A 41 4.555 -0.360 -38.840 1.00 0.00 N ATOM 642 CA ILE A 41 4.452 -1.794 -38.942 1.00 0.00 C ATOM 643 C ILE A 41 3.883 -2.307 -37.628 1.00 0.00 C ATOM 644 O ILE A 41 4.183 -1.747 -36.570 1.00 0.00 O ATOM 645 CB ILE A 41 5.847 -2.508 -39.236 1.00 0.00 C ATOM 646 CG1 ILE A 41 6.257 -2.457 -40.715 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.890 -3.948 -38.751 1.00 0.00 C ATOM 648 CD1 ILE A 41 6.707 -1.115 -41.214 1.00 0.00 C ATOM 0 H ILE A 41 5.007 -0.039 -37.984 1.00 0.00 H new ATOM 0 HA ILE A 41 3.807 -2.031 -39.788 1.00 0.00 H new ATOM 0 HB ILE A 41 6.569 -1.927 -38.663 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.062 -3.174 -40.876 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.412 -2.786 -41.320 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.864 -4.380 -38.980 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.725 -3.974 -37.674 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.111 -4.524 -39.251 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.973 -1.189 -42.268 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.900 -0.393 -41.094 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.575 -0.787 -40.643 1.00 0.00 H new ATOM 660 N VAL A 42 3.042 -3.301 -37.714 1.00 0.00 N ATOM 661 CA VAL A 42 2.470 -3.968 -36.562 1.00 0.00 C ATOM 662 C VAL A 42 2.005 -5.338 -37.043 1.00 0.00 C ATOM 663 O VAL A 42 1.770 -5.519 -38.246 1.00 0.00 O ATOM 664 CB VAL A 42 1.277 -3.152 -35.953 1.00 0.00 C ATOM 665 CG1 VAL A 42 0.152 -3.060 -36.933 1.00 0.00 C ATOM 666 CG2 VAL A 42 0.786 -3.732 -34.631 1.00 0.00 C ATOM 0 H VAL A 42 2.724 -3.683 -38.605 1.00 0.00 H new ATOM 0 HA VAL A 42 3.209 -4.058 -35.766 1.00 0.00 H new ATOM 0 HB VAL A 42 1.652 -2.150 -35.742 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.667 -2.491 -36.494 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.498 -2.560 -37.838 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.196 -4.062 -37.183 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.040 -3.129 -34.254 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.446 -4.756 -34.787 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.600 -3.726 -33.906 1.00 0.00 H new ATOM 676 N ALA A 43 1.924 -6.290 -36.165 1.00 0.00 N ATOM 677 CA ALA A 43 1.493 -7.610 -36.537 1.00 0.00 C ATOM 678 C ALA A 43 -0.010 -7.648 -36.760 1.00 0.00 C ATOM 679 O ALA A 43 -0.783 -7.034 -36.007 1.00 0.00 O ATOM 680 CB ALA A 43 1.901 -8.625 -35.488 1.00 0.00 C ATOM 0 H ALA A 43 2.152 -6.180 -35.177 1.00 0.00 H new ATOM 0 HA ALA A 43 1.983 -7.871 -37.475 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.564 -9.617 -35.791 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.986 -8.626 -35.385 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.446 -8.364 -34.532 1.00 0.00 H new ATOM 686 N ASP A 44 -0.407 -8.349 -37.795 1.00 0.00 N ATOM 687 CA ASP A 44 -1.809 -8.548 -38.130 1.00 0.00 C ATOM 688 C ASP A 44 -2.418 -9.640 -37.254 1.00 0.00 C ATOM 689 O ASP A 44 -1.825 -10.048 -36.242 1.00 0.00 O ATOM 690 CB ASP A 44 -1.992 -8.887 -39.644 1.00 0.00 C ATOM 691 CG ASP A 44 -1.209 -10.099 -40.137 1.00 0.00 C ATOM 692 OD1 ASP A 44 -0.944 -11.006 -39.349 1.00 0.00 O ATOM 693 OD2 ASP A 44 -0.880 -10.160 -41.341 1.00 0.00 O ATOM 0 H ASP A 44 0.238 -8.806 -38.440 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.335 -7.613 -37.936 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.051 -9.056 -39.837 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.696 -8.019 -40.233 1.00 0.00 H new ATOM 698 N GLU A 45 -3.586 -10.120 -37.641 1.00 0.00 N ATOM 699 CA GLU A 45 -4.299 -11.133 -36.872 1.00 0.00 C ATOM 700 C GLU A 45 -3.596 -12.496 -36.982 1.00 0.00 C ATOM 701 O GLU A 45 -3.846 -13.402 -36.195 1.00 0.00 O ATOM 702 CB GLU A 45 -5.749 -11.250 -37.367 1.00 0.00 C ATOM 703 CG GLU A 45 -5.889 -11.903 -38.736 1.00 0.00 C ATOM 704 CD GLU A 45 -7.305 -11.895 -39.279 1.00 0.00 C ATOM 705 OE1 GLU A 45 -8.243 -12.305 -38.560 1.00 0.00 O ATOM 706 OE2 GLU A 45 -7.505 -11.522 -40.434 1.00 0.00 O ATOM 0 H GLU A 45 -4.067 -9.824 -38.490 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.302 -10.829 -35.825 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.324 -11.826 -36.641 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.190 -10.254 -37.405 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.237 -11.388 -39.442 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.540 -12.934 -38.673 1.00 0.00 H new ATOM 713 N TYR A 46 -2.724 -12.628 -37.958 1.00 0.00 N ATOM 714 CA TYR A 46 -2.033 -13.868 -38.185 1.00 0.00 C ATOM 715 C TYR A 46 -0.704 -13.808 -37.463 1.00 0.00 C ATOM 716 O TYR A 46 -0.192 -14.815 -36.985 1.00 0.00 O ATOM 717 CB TYR A 46 -1.812 -14.090 -39.683 1.00 0.00 C ATOM 718 CG TYR A 46 -3.047 -13.816 -40.510 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.153 -14.648 -40.450 1.00 0.00 C ATOM 720 CD2 TYR A 46 -3.119 -12.687 -41.311 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.290 -14.364 -41.173 1.00 0.00 C ATOM 722 CE2 TYR A 46 -4.253 -12.387 -42.022 1.00 0.00 C ATOM 723 CZ TYR A 46 -5.335 -13.229 -41.959 1.00 0.00 C ATOM 724 OH TYR A 46 -6.496 -12.898 -42.629 1.00 0.00 O ATOM 0 H TYR A 46 -2.479 -11.882 -38.609 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.628 -14.700 -37.807 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.002 -13.445 -40.025 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.492 -15.119 -39.849 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.123 -15.531 -39.828 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.264 -12.030 -41.377 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.142 -15.025 -41.126 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.294 -11.494 -42.628 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.075 -12.372 -42.039 1.00 0.00 H new ATOM 734 N GLY A 47 -0.165 -12.618 -37.380 1.00 0.00 N ATOM 735 CA GLY A 47 1.080 -12.395 -36.692 1.00 0.00 C ATOM 736 C GLY A 47 2.133 -11.814 -37.604 1.00 0.00 C ATOM 737 O GLY A 47 3.306 -11.732 -37.238 1.00 0.00 O ATOM 0 H GLY A 47 -0.577 -11.778 -37.787 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.915 -11.720 -35.853 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.439 -13.337 -36.277 1.00 0.00 H new ATOM 741 N ILE A 48 1.719 -11.388 -38.776 1.00 0.00 N ATOM 742 CA ILE A 48 2.630 -10.866 -39.765 1.00 0.00 C ATOM 743 C ILE A 48 2.776 -9.365 -39.610 1.00 0.00 C ATOM 744 O ILE A 48 1.776 -8.653 -39.487 1.00 0.00 O ATOM 745 CB ILE A 48 2.208 -11.256 -41.241 1.00 0.00 C ATOM 746 CG1 ILE A 48 2.678 -12.672 -41.602 1.00 0.00 C ATOM 747 CG2 ILE A 48 2.721 -10.263 -42.286 1.00 0.00 C ATOM 748 CD1 ILE A 48 2.123 -13.770 -40.738 1.00 0.00 C ATOM 0 H ILE A 48 0.742 -11.394 -39.069 1.00 0.00 H new ATOM 0 HA ILE A 48 3.601 -11.329 -39.591 1.00 0.00 H new ATOM 0 HB ILE A 48 1.119 -11.223 -41.257 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.407 -12.875 -42.638 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.766 -12.702 -41.546 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.401 -10.581 -43.278 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.318 -9.272 -42.075 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.810 -10.227 -42.250 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.515 -14.730 -41.074 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.416 -13.601 -39.702 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.035 -13.776 -40.811 1.00 0.00 H new ATOM 760 N PRO A 49 4.018 -8.872 -39.541 1.00 0.00 N ATOM 761 CA PRO A 49 4.290 -7.448 -39.468 1.00 0.00 C ATOM 762 C PRO A 49 3.886 -6.749 -40.763 1.00 0.00 C ATOM 763 O PRO A 49 4.555 -6.852 -41.798 1.00 0.00 O ATOM 764 CB PRO A 49 5.801 -7.362 -39.242 1.00 0.00 C ATOM 765 CG PRO A 49 6.344 -8.669 -39.694 1.00 0.00 C ATOM 766 CD PRO A 49 5.251 -9.680 -39.513 1.00 0.00 C ATOM 0 HA PRO A 49 3.726 -6.956 -38.676 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.236 -6.539 -39.808 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.031 -7.183 -38.192 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.654 -8.618 -40.738 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.224 -8.943 -39.113 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.259 -10.425 -40.308 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.356 -10.218 -38.571 1.00 0.00 H new ATOM 774 N ARG A 50 2.768 -6.114 -40.705 1.00 0.00 N ATOM 775 CA ARG A 50 2.198 -5.428 -41.824 1.00 0.00 C ATOM 776 C ARG A 50 2.568 -3.981 -41.821 1.00 0.00 C ATOM 777 O ARG A 50 2.745 -3.377 -40.763 1.00 0.00 O ATOM 778 CB ARG A 50 0.701 -5.483 -41.722 1.00 0.00 C ATOM 779 CG ARG A 50 0.092 -6.839 -41.856 1.00 0.00 C ATOM 780 CD ARG A 50 0.180 -7.342 -43.261 1.00 0.00 C ATOM 781 NE ARG A 50 -0.666 -8.506 -43.439 1.00 0.00 N ATOM 782 CZ ARG A 50 -1.458 -8.717 -44.488 1.00 0.00 C ATOM 783 NH1 ARG A 50 -1.501 -7.843 -45.493 1.00 0.00 N ATOM 784 NH2 ARG A 50 -2.200 -9.794 -44.535 1.00 0.00 N ATOM 0 H ARG A 50 2.205 -6.052 -39.857 1.00 0.00 H new ATOM 0 HA ARG A 50 2.571 -5.909 -42.729 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.405 -5.066 -40.759 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.279 -4.838 -42.492 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.599 -7.534 -41.187 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.952 -6.802 -41.546 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.122 -6.557 -43.954 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.213 -7.597 -43.498 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.653 -9.216 -42.706 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.924 -7.003 -45.463 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.111 -8.014 -46.292 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.170 -10.468 -43.770 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.808 -9.960 -45.337 1.00 0.00 H new ATOM 798 N GLN A 51 2.661 -3.429 -42.994 1.00 0.00 N ATOM 799 CA GLN A 51 2.805 -2.023 -43.156 1.00 0.00 C ATOM 800 C GLN A 51 1.454 -1.399 -43.049 1.00 0.00 C ATOM 801 O GLN A 51 0.451 -1.921 -43.532 1.00 0.00 O ATOM 802 CB GLN A 51 3.382 -1.659 -44.503 1.00 0.00 C ATOM 803 CG GLN A 51 4.878 -1.563 -44.566 1.00 0.00 C ATOM 804 CD GLN A 51 5.403 -0.148 -44.325 1.00 0.00 C ATOM 805 OE1 GLN A 51 4.850 0.553 -43.373 1.00 0.00 O flip ATOM 806 NE2 GLN A 51 6.382 0.265 -44.922 1.00 0.00 N flip ATOM 0 H GLN A 51 2.638 -3.951 -43.870 1.00 0.00 H new ATOM 0 HA GLN A 51 3.487 -1.664 -42.385 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.053 -2.401 -45.231 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.962 -0.702 -44.811 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.310 -2.235 -43.824 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.217 -1.907 -45.543 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.801 -0.296 -45.663 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.782 1.172 -44.680 1.00 0.00 H new ATOM 815 N LEU A 52 1.442 -0.310 -42.427 1.00 0.00 N ATOM 816 CA LEU A 52 0.245 0.438 -42.188 1.00 0.00 C ATOM 817 C LEU A 52 0.127 1.559 -43.170 1.00 0.00 C ATOM 818 O LEU A 52 -0.950 2.113 -43.374 1.00 0.00 O ATOM 819 CB LEU A 52 0.376 0.946 -40.782 1.00 0.00 C ATOM 820 CG LEU A 52 0.579 -0.194 -39.798 1.00 0.00 C ATOM 821 CD1 LEU A 52 0.881 0.305 -38.447 1.00 0.00 C ATOM 822 CD2 LEU A 52 -0.623 -1.122 -39.802 1.00 0.00 C ATOM 0 H LEU A 52 2.282 0.125 -42.045 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.655 -0.165 -42.309 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.217 1.637 -40.720 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.518 1.507 -40.511 1.00 0.00 H new ATOM 0 HG LEU A 52 1.446 -0.770 -40.121 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.020 -0.538 -37.770 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.793 0.902 -38.475 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.054 0.921 -38.094 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.460 -1.932 -39.091 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.515 -0.564 -39.517 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.759 -1.537 -40.801 1.00 0.00 H new ATOM 834 N ASN A 53 1.240 1.826 -43.825 1.00 0.00 N ATOM 835 CA ASN A 53 1.449 2.970 -44.768 1.00 0.00 C ATOM 836 C ASN A 53 0.645 2.906 -46.053 1.00 0.00 C ATOM 837 O ASN A 53 1.163 3.096 -47.159 1.00 0.00 O ATOM 838 CB ASN A 53 2.934 3.175 -45.052 1.00 0.00 C ATOM 839 CG ASN A 53 3.692 3.757 -43.877 1.00 0.00 C ATOM 840 OD1 ASN A 53 4.763 4.341 -44.036 1.00 0.00 O ATOM 841 ND2 ASN A 53 3.120 3.664 -42.700 1.00 0.00 N ATOM 0 H ASN A 53 2.072 1.244 -43.729 1.00 0.00 H new ATOM 0 HA ASN A 53 1.055 3.841 -44.245 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.380 2.219 -45.326 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.045 3.837 -45.911 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.564 4.083 -41.883 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.231 3.173 -42.602 1.00 0.00 H new ATOM 848 N GLU A 54 -0.584 2.654 -45.876 1.00 0.00 N ATOM 849 CA GLU A 54 -1.576 2.752 -46.873 1.00 0.00 C ATOM 850 C GLU A 54 -2.174 4.125 -46.637 1.00 0.00 C ATOM 851 O GLU A 54 -2.069 5.026 -47.462 1.00 0.00 O ATOM 852 CB GLU A 54 -2.624 1.670 -46.647 1.00 0.00 C ATOM 853 CG GLU A 54 -2.053 0.274 -46.701 1.00 0.00 C ATOM 854 CD GLU A 54 -1.755 -0.215 -48.096 1.00 0.00 C ATOM 855 OE1 GLU A 54 -0.638 -0.022 -48.588 1.00 0.00 O ATOM 856 OE2 GLU A 54 -2.640 -0.848 -48.715 1.00 0.00 O ATOM 0 H GLU A 54 -0.955 2.354 -44.975 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.196 2.626 -47.887 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.096 1.826 -45.677 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.406 1.766 -47.401 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.135 0.245 -46.114 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.755 -0.413 -46.229 1.00 0.00 H new ATOM 863 N ASN A 55 -2.710 4.272 -45.429 1.00 0.00 N ATOM 864 CA ASN A 55 -3.220 5.543 -44.902 1.00 0.00 C ATOM 865 C ASN A 55 -3.217 5.470 -43.358 1.00 0.00 C ATOM 866 O ASN A 55 -3.611 6.418 -42.666 1.00 0.00 O ATOM 867 CB ASN A 55 -4.669 5.803 -45.411 1.00 0.00 C ATOM 868 CG ASN A 55 -5.791 5.289 -44.478 1.00 0.00 C ATOM 869 OD1 ASN A 55 -6.353 6.041 -43.680 1.00 0.00 O ATOM 870 ND2 ASN A 55 -6.082 4.029 -44.535 1.00 0.00 N ATOM 0 H ASN A 55 -2.806 3.498 -44.772 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.585 6.360 -45.244 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.800 6.875 -45.556 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.785 5.333 -46.387 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.789 3.640 -43.911 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.604 3.425 -45.204 1.00 0.00 H new ATOM 877 N SER A 56 -2.685 4.378 -42.819 1.00 0.00 N ATOM 878 CA SER A 56 -2.855 4.095 -41.438 1.00 0.00 C ATOM 879 C SER A 56 -1.528 3.950 -40.747 1.00 0.00 C ATOM 880 O SER A 56 -0.478 3.886 -41.392 1.00 0.00 O ATOM 881 CB SER A 56 -3.658 2.808 -41.274 1.00 0.00 C ATOM 882 OG SER A 56 -4.868 2.861 -42.001 1.00 0.00 O ATOM 0 H SER A 56 -2.137 3.689 -43.334 1.00 0.00 H new ATOM 0 HA SER A 56 -3.391 4.928 -40.982 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.064 1.960 -41.615 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.873 2.643 -40.218 1.00 0.00 H new ATOM 0 HG SER A 56 -4.885 2.137 -42.662 1.00 0.00 H new ATOM 888 N PHE A 57 -1.577 3.939 -39.446 1.00 0.00 N ATOM 889 CA PHE A 57 -0.439 3.724 -38.603 1.00 0.00 C ATOM 890 C PHE A 57 -0.949 3.063 -37.342 1.00 0.00 C ATOM 891 O PHE A 57 -2.153 3.027 -37.129 1.00 0.00 O ATOM 892 CB PHE A 57 0.241 5.035 -38.241 1.00 0.00 C ATOM 893 CG PHE A 57 0.651 5.882 -39.407 1.00 0.00 C ATOM 894 CD1 PHE A 57 1.881 5.696 -40.005 1.00 0.00 C ATOM 895 CD2 PHE A 57 -0.208 6.847 -39.918 1.00 0.00 C ATOM 896 CE1 PHE A 57 2.260 6.454 -41.096 1.00 0.00 C ATOM 897 CE2 PHE A 57 0.163 7.610 -41.009 1.00 0.00 C ATOM 898 CZ PHE A 57 1.399 7.412 -41.601 1.00 0.00 C ATOM 0 H PHE A 57 -2.442 4.085 -38.926 1.00 0.00 H new ATOM 0 HA PHE A 57 0.295 3.107 -39.121 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.434 5.614 -37.611 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.125 4.815 -37.643 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.556 4.948 -39.615 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.173 7.002 -39.459 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.226 6.299 -41.554 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.510 8.359 -41.399 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.690 8.004 -42.456 1.00 0.00 H new ATOM 908 N ALA A 58 -0.074 2.558 -36.520 1.00 0.00 N ATOM 909 CA ALA A 58 -0.485 1.891 -35.305 1.00 0.00 C ATOM 910 C ALA A 58 0.243 2.455 -34.157 1.00 0.00 C ATOM 911 O ALA A 58 1.206 3.181 -34.335 1.00 0.00 O ATOM 912 CB ALA A 58 -0.256 0.386 -35.362 1.00 0.00 C ATOM 0 H ALA A 58 0.935 2.593 -36.665 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.556 2.056 -35.192 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.581 -0.067 -34.426 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.827 -0.038 -36.188 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.805 0.185 -35.514 1.00 0.00 H new ATOM 918 N ILE A 59 -0.210 2.138 -32.996 1.00 0.00 N ATOM 919 CA ILE A 59 0.404 2.580 -31.804 1.00 0.00 C ATOM 920 C ILE A 59 0.143 1.583 -30.697 1.00 0.00 C ATOM 921 O ILE A 59 -0.892 0.894 -30.701 1.00 0.00 O ATOM 922 CB ILE A 59 -0.117 3.987 -31.400 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.627 4.471 -30.171 1.00 0.00 C ATOM 924 CG2 ILE A 59 -1.636 3.969 -31.132 1.00 0.00 C ATOM 925 CD1 ILE A 59 0.478 5.920 -29.918 1.00 0.00 C ATOM 0 H ILE A 59 -1.033 1.553 -32.850 1.00 0.00 H new ATOM 0 HA ILE A 59 1.478 2.656 -31.972 1.00 0.00 H new ATOM 0 HB ILE A 59 0.065 4.671 -32.229 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.270 3.921 -29.301 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.686 4.238 -30.283 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.968 4.969 -30.852 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.161 3.652 -32.033 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.854 3.274 -30.321 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.038 6.193 -29.023 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.862 6.480 -30.771 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.576 6.158 -29.773 1.00 0.00 H new ATOM 937 N THR A 60 1.071 1.454 -29.804 1.00 0.00 N ATOM 938 CA THR A 60 0.873 0.677 -28.680 1.00 0.00 C ATOM 939 C THR A 60 0.708 1.630 -27.502 1.00 0.00 C ATOM 940 O THR A 60 1.630 2.308 -27.052 1.00 0.00 O ATOM 941 CB THR A 60 1.963 -0.425 -28.477 1.00 0.00 C ATOM 942 OG1 THR A 60 1.518 -1.375 -27.493 1.00 0.00 O ATOM 943 CG2 THR A 60 3.330 0.140 -28.070 1.00 0.00 C ATOM 0 H THR A 60 1.987 1.900 -29.859 1.00 0.00 H new ATOM 0 HA THR A 60 -0.032 0.080 -28.790 1.00 0.00 H new ATOM 0 HB THR A 60 2.099 -0.911 -29.443 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.545 -1.311 -27.392 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.039 -0.678 -27.946 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.689 0.817 -28.845 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.234 0.683 -27.130 1.00 0.00 H new ATOM 951 N THR A 61 -0.493 1.775 -27.129 1.00 0.00 N ATOM 952 CA THR A 61 -0.861 2.654 -26.093 1.00 0.00 C ATOM 953 C THR A 61 -2.048 2.046 -25.371 1.00 0.00 C ATOM 954 O THR A 61 -2.724 1.176 -25.918 1.00 0.00 O ATOM 955 CB THR A 61 -1.215 4.055 -26.671 1.00 0.00 C ATOM 956 OG1 THR A 61 -1.348 4.994 -25.613 1.00 0.00 O ATOM 957 CG2 THR A 61 -2.522 4.006 -27.462 1.00 0.00 C ATOM 0 H THR A 61 -1.277 1.272 -27.545 1.00 0.00 H new ATOM 0 HA THR A 61 -0.034 2.792 -25.396 1.00 0.00 H new ATOM 0 HB THR A 61 -0.409 4.358 -27.340 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.094 5.885 -25.932 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.747 4.997 -27.855 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.421 3.302 -28.288 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.332 3.683 -26.807 1.00 0.00 H new ATOM 965 N SER A 62 -2.289 2.454 -24.174 1.00 0.00 N ATOM 966 CA SER A 62 -3.373 1.913 -23.433 1.00 0.00 C ATOM 967 C SER A 62 -4.439 2.979 -23.190 1.00 0.00 C ATOM 968 O SER A 62 -5.429 2.725 -22.510 1.00 0.00 O ATOM 969 CB SER A 62 -2.852 1.332 -22.131 1.00 0.00 C ATOM 970 OG SER A 62 -3.840 0.582 -21.459 1.00 0.00 O ATOM 0 H SER A 62 -1.746 3.165 -23.685 1.00 0.00 H new ATOM 0 HA SER A 62 -3.843 1.112 -24.003 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.990 0.697 -22.336 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.507 2.139 -21.485 1.00 0.00 H new ATOM 0 HG SER A 62 -4.695 1.060 -21.496 1.00 0.00 H new ATOM 976 N LEU A 63 -4.229 4.169 -23.742 1.00 0.00 N ATOM 977 CA LEU A 63 -5.215 5.233 -23.648 1.00 0.00 C ATOM 978 C LEU A 63 -6.381 4.992 -24.591 1.00 0.00 C ATOM 979 O LEU A 63 -6.472 3.939 -25.242 1.00 0.00 O ATOM 980 CB LEU A 63 -4.576 6.642 -23.795 1.00 0.00 C ATOM 981 CG LEU A 63 -3.611 6.880 -24.949 1.00 0.00 C ATOM 982 CD1 LEU A 63 -4.305 7.056 -26.259 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.656 8.024 -24.653 1.00 0.00 C ATOM 0 H LEU A 63 -3.385 4.418 -24.258 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.631 5.212 -22.641 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.385 7.367 -23.884 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.048 6.866 -22.868 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.014 5.973 -25.044 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.566 7.222 -27.043 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.882 6.160 -26.488 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.974 7.914 -26.204 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.983 8.164 -25.499 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.225 8.939 -24.486 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.074 7.791 -23.761 1.00 0.00 H new ATOM 995 N ALA A 64 -7.255 5.935 -24.682 1.00 0.00 N ATOM 996 CA ALA A 64 -8.460 5.718 -25.424 1.00 0.00 C ATOM 997 C ALA A 64 -8.408 6.377 -26.777 1.00 0.00 C ATOM 998 O ALA A 64 -7.534 7.183 -27.034 1.00 0.00 O ATOM 999 CB ALA A 64 -9.675 6.167 -24.637 1.00 0.00 C ATOM 0 H ALA A 64 -7.164 6.858 -24.258 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.550 4.645 -25.592 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.575 5.990 -25.225 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.734 5.604 -23.706 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.591 7.230 -24.413 1.00 0.00 H new ATOM 1005 N ALA A 65 -9.370 6.056 -27.619 1.00 0.00 N ATOM 1006 CA ALA A 65 -9.447 6.580 -28.979 1.00 0.00 C ATOM 1007 C ALA A 65 -9.473 8.101 -28.998 1.00 0.00 C ATOM 1008 O ALA A 65 -8.686 8.737 -29.693 1.00 0.00 O ATOM 1009 CB ALA A 65 -10.658 6.003 -29.698 1.00 0.00 C ATOM 0 H ALA A 65 -10.130 5.419 -27.382 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.546 6.270 -29.509 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.704 6.402 -30.711 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.574 4.917 -29.739 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.565 6.276 -29.159 1.00 0.00 H new ATOM 1015 N SER A 66 -10.304 8.666 -28.161 1.00 0.00 N ATOM 1016 CA SER A 66 -10.462 10.108 -28.077 1.00 0.00 C ATOM 1017 C SER A 66 -9.260 10.751 -27.351 1.00 0.00 C ATOM 1018 O SER A 66 -9.131 11.984 -27.272 1.00 0.00 O ATOM 1019 CB SER A 66 -11.767 10.407 -27.364 1.00 0.00 C ATOM 1020 OG SER A 66 -12.826 9.648 -27.957 1.00 0.00 O ATOM 0 H SER A 66 -10.895 8.144 -27.514 1.00 0.00 H new ATOM 0 HA SER A 66 -10.492 10.538 -29.078 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.679 10.161 -26.306 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.991 11.472 -27.426 1.00 0.00 H new ATOM 0 HG SER A 66 -13.667 9.842 -27.493 1.00 0.00 H new ATOM 1026 N GLU A 67 -8.385 9.906 -26.838 1.00 0.00 N ATOM 1027 CA GLU A 67 -7.181 10.352 -26.202 1.00 0.00 C ATOM 1028 C GLU A 67 -6.096 10.419 -27.251 1.00 0.00 C ATOM 1029 O GLU A 67 -5.364 11.397 -27.318 1.00 0.00 O ATOM 1030 CB GLU A 67 -6.766 9.413 -25.065 1.00 0.00 C ATOM 1031 CG GLU A 67 -7.770 9.296 -23.930 1.00 0.00 C ATOM 1032 CD GLU A 67 -7.977 10.586 -23.192 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -7.155 10.915 -22.320 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -8.970 11.292 -23.471 1.00 0.00 O ATOM 0 H GLU A 67 -8.498 8.892 -26.856 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.347 11.334 -25.760 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.591 8.420 -25.479 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.817 9.759 -24.656 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.725 8.957 -24.331 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.430 8.534 -23.229 1.00 0.00 H new ATOM 1041 N ILE A 68 -6.023 9.369 -28.105 1.00 0.00 N ATOM 1042 CA ILE A 68 -5.036 9.332 -29.194 1.00 0.00 C ATOM 1043 C ILE A 68 -5.219 10.539 -30.090 1.00 0.00 C ATOM 1044 O ILE A 68 -4.255 11.166 -30.496 1.00 0.00 O ATOM 1045 CB ILE A 68 -5.132 8.081 -30.113 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -5.598 6.850 -29.348 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -3.777 7.826 -30.764 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -5.380 5.531 -30.029 1.00 0.00 C ATOM 0 H ILE A 68 -6.630 8.551 -28.057 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.068 9.312 -28.693 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.877 8.279 -30.884 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.086 6.829 -28.386 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.663 6.957 -29.140 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.842 6.949 -31.409 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.490 8.693 -31.359 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.029 7.653 -29.991 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.750 4.727 -29.392 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.916 5.518 -30.978 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.315 5.388 -30.212 1.00 0.00 H new ATOM 1060 N GLU A 69 -6.473 10.860 -30.380 1.00 0.00 N ATOM 1061 CA GLU A 69 -6.795 12.000 -31.219 1.00 0.00 C ATOM 1062 C GLU A 69 -6.201 13.282 -30.660 1.00 0.00 C ATOM 1063 O GLU A 69 -5.493 13.980 -31.359 1.00 0.00 O ATOM 1064 CB GLU A 69 -8.299 12.154 -31.388 1.00 0.00 C ATOM 1065 CG GLU A 69 -8.942 11.019 -32.130 1.00 0.00 C ATOM 1066 CD GLU A 69 -10.440 11.154 -32.219 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -11.145 10.711 -31.296 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -10.948 11.689 -33.246 1.00 0.00 O ATOM 0 H GLU A 69 -7.285 10.343 -30.043 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.354 11.813 -32.198 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.759 12.240 -30.404 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.503 13.085 -31.918 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.526 10.967 -33.136 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.695 10.080 -31.634 1.00 0.00 H new ATOM 1075 N ASP A 70 -6.456 13.551 -29.392 1.00 0.00 N ATOM 1076 CA ASP A 70 -5.946 14.767 -28.726 1.00 0.00 C ATOM 1077 C ASP A 70 -4.431 14.774 -28.734 1.00 0.00 C ATOM 1078 O ASP A 70 -3.800 15.784 -29.037 1.00 0.00 O ATOM 1079 CB ASP A 70 -6.452 14.831 -27.286 1.00 0.00 C ATOM 1080 CG ASP A 70 -5.979 16.062 -26.531 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -6.599 17.140 -26.681 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -5.016 15.963 -25.743 1.00 0.00 O ATOM 0 H ASP A 70 -7.015 12.948 -28.788 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.309 15.638 -29.272 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.542 14.814 -27.291 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.122 13.939 -26.753 1.00 0.00 H new ATOM 1087 N LEU A 71 -3.886 13.605 -28.477 1.00 0.00 N ATOM 1088 CA LEU A 71 -2.460 13.343 -28.410 1.00 0.00 C ATOM 1089 C LEU A 71 -1.783 13.776 -29.719 1.00 0.00 C ATOM 1090 O LEU A 71 -0.721 14.378 -29.713 1.00 0.00 O ATOM 1091 CB LEU A 71 -2.294 11.845 -28.218 1.00 0.00 C ATOM 1092 CG LEU A 71 -1.008 11.354 -27.592 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -0.951 11.760 -26.123 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -0.900 9.847 -27.743 1.00 0.00 C ATOM 0 H LEU A 71 -4.448 12.772 -28.301 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.002 13.898 -27.592 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.122 11.492 -27.603 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.395 11.369 -29.193 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.162 11.812 -28.105 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.021 11.401 -25.682 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.995 12.846 -26.044 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.796 11.323 -25.592 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.029 9.502 -27.290 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.745 9.370 -27.247 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.906 9.586 -28.801 1.00 0.00 H new ATOM 1106 N ILE A 72 -2.431 13.479 -30.827 1.00 0.00 N ATOM 1107 CA ILE A 72 -1.937 13.831 -32.153 1.00 0.00 C ATOM 1108 C ILE A 72 -2.296 15.263 -32.506 1.00 0.00 C ATOM 1109 O ILE A 72 -1.451 16.020 -32.976 1.00 0.00 O ATOM 1110 CB ILE A 72 -2.569 12.902 -33.208 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -2.204 11.458 -32.925 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -2.134 13.289 -34.622 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -3.215 10.491 -33.446 1.00 0.00 C ATOM 0 H ILE A 72 -3.322 12.983 -30.838 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.853 13.722 -32.145 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.651 13.014 -33.146 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.235 11.239 -33.373 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.097 11.320 -31.849 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.597 12.615 -35.342 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.445 14.313 -34.831 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.049 13.216 -34.702 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.899 9.474 -33.214 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.180 10.687 -32.979 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.305 10.605 -34.526 1.00 0.00 H new ATOM 1125 N ARG A 73 -3.531 15.643 -32.255 1.00 0.00 N ATOM 1126 CA ARG A 73 -4.009 16.945 -32.697 1.00 0.00 C ATOM 1127 C ARG A 73 -3.370 18.098 -31.927 1.00 0.00 C ATOM 1128 O ARG A 73 -3.307 19.213 -32.428 1.00 0.00 O ATOM 1129 CB ARG A 73 -5.551 17.046 -32.736 1.00 0.00 C ATOM 1130 CG ARG A 73 -6.218 15.922 -33.541 1.00 0.00 C ATOM 1131 CD ARG A 73 -7.675 16.219 -33.907 1.00 0.00 C ATOM 1132 NE ARG A 73 -7.808 17.282 -34.922 1.00 0.00 N ATOM 1133 CZ ARG A 73 -8.644 17.239 -35.993 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -9.526 16.235 -36.136 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -8.615 18.207 -36.886 1.00 0.00 N ATOM 0 H ARG A 73 -4.218 15.080 -31.754 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.678 17.043 -33.731 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.934 17.028 -31.716 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.834 18.007 -33.166 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.649 15.753 -34.455 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.177 14.998 -32.964 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.144 15.308 -34.279 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.217 16.512 -33.008 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.228 18.113 -34.811 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.573 15.494 -35.436 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.148 16.214 -36.944 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.966 18.986 -36.773 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.241 18.177 -37.691 1.00 0.00 H new ATOM 1149 N LEU A 74 -2.850 17.833 -30.730 1.00 0.00 N ATOM 1150 CA LEU A 74 -2.146 18.875 -30.005 1.00 0.00 C ATOM 1151 C LEU A 74 -0.736 19.036 -30.618 1.00 0.00 C ATOM 1152 O LEU A 74 -0.117 20.093 -30.528 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.123 18.600 -28.462 1.00 0.00 C ATOM 1154 CG LEU A 74 -1.117 17.573 -27.905 1.00 0.00 C ATOM 1155 CD1 LEU A 74 0.200 18.249 -27.551 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -1.677 16.854 -26.692 1.00 0.00 C ATOM 0 H LEU A 74 -2.902 16.931 -30.257 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.676 19.822 -30.111 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.937 19.550 -27.960 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.122 18.276 -28.170 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.935 16.833 -28.685 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.896 17.507 -27.160 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.624 18.709 -28.443 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.024 19.015 -26.796 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.944 16.137 -26.323 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.900 17.580 -25.910 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.590 16.328 -26.970 1.00 0.00 H new ATOM 1168 N LYS A 75 -0.270 17.986 -31.319 1.00 0.00 N ATOM 1169 CA LYS A 75 1.022 18.013 -32.005 1.00 0.00 C ATOM 1170 C LYS A 75 0.897 18.665 -33.364 1.00 0.00 C ATOM 1171 O LYS A 75 1.870 18.828 -34.082 1.00 0.00 O ATOM 1172 CB LYS A 75 1.689 16.624 -32.136 1.00 0.00 C ATOM 1173 CG LYS A 75 2.588 16.226 -30.958 1.00 0.00 C ATOM 1174 CD LYS A 75 1.817 16.034 -29.681 1.00 0.00 C ATOM 1175 CE LYS A 75 2.726 15.803 -28.483 1.00 0.00 C ATOM 1176 NZ LYS A 75 3.633 14.654 -28.664 1.00 0.00 N ATOM 0 H LYS A 75 -0.777 17.107 -31.422 1.00 0.00 H new ATOM 0 HA LYS A 75 1.679 18.610 -31.373 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.909 15.871 -32.249 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.283 16.607 -33.050 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.114 15.303 -31.203 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.346 16.995 -30.808 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.197 16.912 -29.499 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.143 15.185 -29.791 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.317 16.701 -28.303 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.115 15.641 -27.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.975 14.332 -27.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.122 13.879 -29.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.443 14.940 -29.251 1.00 0.00 H new ATOM 1190 N CYS A 76 -0.300 19.078 -33.694 1.00 0.00 N ATOM 1191 CA CYS A 76 -0.548 19.775 -34.934 1.00 0.00 C ATOM 1192 C CYS A 76 -0.087 21.226 -34.782 1.00 0.00 C ATOM 1193 O CYS A 76 0.012 21.979 -35.733 1.00 0.00 O ATOM 1194 CB CYS A 76 -2.024 19.695 -35.278 1.00 0.00 C ATOM 1195 SG CYS A 76 -2.491 20.319 -36.904 1.00 0.00 S ATOM 0 H CYS A 76 -1.128 18.942 -33.115 1.00 0.00 H new ATOM 0 HA CYS A 76 0.009 19.314 -35.750 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.338 18.654 -35.207 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.583 20.249 -34.524 1.00 0.00 H new ATOM 0 HG CYS A 76 -3.739 20.036 -37.135 1.00 0.00 H new ATOM 1201 N LEU A 77 0.207 21.594 -33.557 1.00 0.00 N ATOM 1202 CA LEU A 77 0.724 22.896 -33.259 1.00 0.00 C ATOM 1203 C LEU A 77 2.237 22.914 -33.504 1.00 0.00 C ATOM 1204 O LEU A 77 2.846 23.980 -33.649 1.00 0.00 O ATOM 1205 CB LEU A 77 0.387 23.256 -31.815 1.00 0.00 C ATOM 1206 CG LEU A 77 -1.107 23.164 -31.457 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -1.349 23.532 -30.017 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.950 24.031 -32.382 1.00 0.00 C ATOM 0 H LEU A 77 0.092 20.992 -32.741 1.00 0.00 H new ATOM 0 HA LEU A 77 0.267 23.641 -33.911 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.946 22.597 -31.151 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.731 24.272 -31.619 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.411 22.126 -31.595 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.414 23.457 -29.796 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.795 22.852 -29.370 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.013 24.554 -29.841 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.000 23.945 -32.104 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.635 25.071 -32.293 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.819 23.699 -33.412 1.00 0.00 H new ATOM 1220 N ASP A 78 2.816 21.719 -33.585 1.00 0.00 N ATOM 1221 CA ASP A 78 4.253 21.532 -33.841 1.00 0.00 C ATOM 1222 C ASP A 78 4.494 21.761 -35.307 1.00 0.00 C ATOM 1223 O ASP A 78 5.459 22.415 -35.719 1.00 0.00 O ATOM 1224 CB ASP A 78 4.641 20.091 -33.510 1.00 0.00 C ATOM 1225 CG ASP A 78 6.146 19.812 -33.558 1.00 0.00 C ATOM 1226 OD1 ASP A 78 6.685 19.474 -34.646 1.00 0.00 O ATOM 1227 OD2 ASP A 78 6.818 19.885 -32.505 1.00 0.00 O ATOM 0 H ASP A 78 2.304 20.844 -33.475 1.00 0.00 H new ATOM 0 HA ASP A 78 4.838 22.222 -33.233 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.271 19.848 -32.514 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.138 19.423 -34.209 1.00 0.00 H new ATOM 1232 N LEU A 79 3.589 21.230 -36.088 1.00 0.00 N ATOM 1233 CA LEU A 79 3.636 21.357 -37.540 1.00 0.00 C ATOM 1234 C LEU A 79 3.116 22.764 -37.948 1.00 0.00 C ATOM 1235 O LEU A 79 2.590 23.488 -37.095 1.00 0.00 O ATOM 1236 CB LEU A 79 2.824 20.182 -38.170 1.00 0.00 C ATOM 1237 CG LEU A 79 1.311 20.138 -37.921 1.00 0.00 C ATOM 1238 CD1 LEU A 79 0.559 21.102 -38.807 1.00 0.00 C ATOM 1239 CD2 LEU A 79 0.784 18.736 -38.076 1.00 0.00 C ATOM 0 H LEU A 79 2.792 20.694 -35.744 1.00 0.00 H new ATOM 0 HA LEU A 79 4.655 21.282 -37.919 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.985 20.205 -39.248 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.250 19.248 -37.804 1.00 0.00 H new ATOM 0 HG LEU A 79 1.144 20.457 -36.892 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.508 21.035 -38.594 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.904 22.118 -38.615 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.737 20.850 -39.852 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.291 18.729 -37.895 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.984 18.382 -39.087 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.277 18.081 -37.358 1.00 0.00 H new ATOM 1251 N PRO A 80 3.311 23.200 -39.222 1.00 0.00 N ATOM 1252 CA PRO A 80 2.813 24.503 -39.678 1.00 0.00 C ATOM 1253 C PRO A 80 1.274 24.640 -39.587 1.00 0.00 C ATOM 1254 O PRO A 80 0.768 25.328 -38.685 1.00 0.00 O ATOM 1255 CB PRO A 80 3.306 24.640 -41.125 1.00 0.00 C ATOM 1256 CG PRO A 80 3.869 23.312 -41.518 1.00 0.00 C ATOM 1257 CD PRO A 80 4.083 22.500 -40.267 1.00 0.00 C ATOM 0 HA PRO A 80 3.187 25.300 -39.035 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.488 24.924 -41.787 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.064 25.419 -41.203 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.187 22.796 -42.194 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.810 23.442 -42.052 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.734 21.476 -40.397 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.140 22.446 -40.007 1.00 0.00 H new ATOM 1265 N ASP A 81 0.540 23.977 -40.493 1.00 0.00 N ATOM 1266 CA ASP A 81 -0.937 24.008 -40.492 1.00 0.00 C ATOM 1267 C ASP A 81 -1.502 22.966 -41.456 1.00 0.00 C ATOM 1268 O ASP A 81 -1.008 22.833 -42.573 1.00 0.00 O ATOM 1269 CB ASP A 81 -1.462 25.405 -40.872 1.00 0.00 C ATOM 1270 CG ASP A 81 -2.968 25.462 -41.012 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -3.680 25.580 -39.991 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -3.473 25.411 -42.156 1.00 0.00 O ATOM 0 H ASP A 81 0.943 23.410 -41.239 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.270 23.773 -39.481 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.147 26.122 -40.114 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.005 25.714 -41.812 1.00 0.00 H new ATOM 1277 N ILE A 82 -2.515 22.226 -41.014 1.00 0.00 N ATOM 1278 CA ILE A 82 -3.164 21.208 -41.817 1.00 0.00 C ATOM 1279 C ILE A 82 -4.513 20.827 -41.231 1.00 0.00 C ATOM 1280 O ILE A 82 -4.632 20.508 -40.046 1.00 0.00 O ATOM 1281 CB ILE A 82 -2.297 19.908 -42.003 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -3.098 18.810 -42.728 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.759 19.401 -40.683 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -2.325 17.534 -42.975 1.00 0.00 C ATOM 0 H ILE A 82 -2.908 22.321 -40.078 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.297 21.657 -42.801 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.442 20.173 -42.625 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.985 18.575 -42.139 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.445 19.201 -43.684 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.166 18.503 -40.853 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.133 20.168 -40.226 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.590 19.167 -40.017 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.963 16.816 -43.489 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.453 17.751 -43.591 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.001 17.115 -42.022 1.00 0.00 H new ATOM 1296 N ASP A 83 -5.525 20.935 -42.039 1.00 0.00 N ATOM 1297 CA ASP A 83 -6.822 20.406 -41.688 1.00 0.00 C ATOM 1298 C ASP A 83 -6.877 18.956 -42.092 1.00 0.00 C ATOM 1299 O ASP A 83 -6.982 18.626 -43.277 1.00 0.00 O ATOM 1300 CB ASP A 83 -7.969 21.175 -42.339 1.00 0.00 C ATOM 1301 CG ASP A 83 -9.329 20.549 -42.042 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -9.747 20.529 -40.870 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -10.026 20.116 -42.986 1.00 0.00 O ATOM 0 H ASP A 83 -5.483 21.386 -42.953 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.949 20.512 -40.611 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.960 22.205 -41.983 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.815 21.209 -43.418 1.00 0.00 H new ATOM 1308 N PHE A 84 -6.720 18.110 -41.132 1.00 0.00 N ATOM 1309 CA PHE A 84 -6.758 16.690 -41.345 1.00 0.00 C ATOM 1310 C PHE A 84 -7.730 16.099 -40.374 1.00 0.00 C ATOM 1311 O PHE A 84 -8.111 16.753 -39.407 1.00 0.00 O ATOM 1312 CB PHE A 84 -5.364 16.049 -41.103 1.00 0.00 C ATOM 1313 CG PHE A 84 -4.877 16.121 -39.661 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -4.246 17.248 -39.191 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -5.064 15.055 -38.786 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -3.807 17.328 -37.884 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -4.628 15.128 -37.476 1.00 0.00 C ATOM 1318 CZ PHE A 84 -3.999 16.267 -37.026 1.00 0.00 C ATOM 0 H PHE A 84 -6.559 18.381 -40.162 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.054 16.495 -42.376 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.401 15.003 -41.409 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.635 16.543 -41.745 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.091 18.085 -39.855 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.556 14.159 -39.135 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.313 18.222 -37.534 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.780 14.294 -36.807 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.657 16.329 -36.003 1.00 0.00 H new ATOM 1328 N ASP A 85 -8.110 14.886 -40.611 1.00 0.00 N ATOM 1329 CA ASP A 85 -8.930 14.152 -39.697 1.00 0.00 C ATOM 1330 C ASP A 85 -8.477 12.741 -39.685 1.00 0.00 C ATOM 1331 O ASP A 85 -7.965 12.232 -40.691 1.00 0.00 O ATOM 1332 CB ASP A 85 -10.437 14.275 -39.965 1.00 0.00 C ATOM 1333 CG ASP A 85 -11.013 15.590 -39.463 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -11.231 15.723 -38.230 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -11.240 16.518 -40.269 1.00 0.00 O ATOM 0 H ASP A 85 -7.858 14.369 -41.453 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.804 14.593 -38.708 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.621 14.187 -41.036 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.957 13.447 -39.483 1.00 0.00 H new ATOM 1340 N LEU A 86 -8.605 12.121 -38.570 1.00 0.00 N ATOM 1341 CA LEU A 86 -8.117 10.803 -38.386 1.00 0.00 C ATOM 1342 C LEU A 86 -9.217 9.938 -37.850 1.00 0.00 C ATOM 1343 O LEU A 86 -10.178 10.435 -37.261 1.00 0.00 O ATOM 1344 CB LEU A 86 -6.954 10.798 -37.380 1.00 0.00 C ATOM 1345 CG LEU A 86 -7.318 11.007 -35.881 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -6.157 10.689 -35.005 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -7.789 12.419 -35.584 1.00 0.00 C ATOM 0 H LEU A 86 -9.058 12.519 -37.747 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.767 10.423 -39.346 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.430 9.847 -37.472 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.251 11.579 -37.670 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.142 10.325 -35.671 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.435 10.842 -33.962 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.863 9.650 -35.153 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.321 11.342 -35.257 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.029 12.507 -34.524 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.000 13.127 -35.837 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.677 12.639 -36.177 1.00 0.00 H new ATOM 1359 N ASN A 87 -9.083 8.680 -38.044 1.00 0.00 N ATOM 1360 CA ASN A 87 -9.986 7.732 -37.513 1.00 0.00 C ATOM 1361 C ASN A 87 -9.221 6.738 -36.685 1.00 0.00 C ATOM 1362 O ASN A 87 -8.392 5.989 -37.219 1.00 0.00 O ATOM 1363 CB ASN A 87 -10.733 7.024 -38.634 1.00 0.00 C ATOM 1364 CG ASN A 87 -11.639 5.928 -38.122 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -11.123 4.741 -38.033 1.00 0.00 O flip ATOM 1366 ND2 ASN A 87 -12.791 6.154 -37.800 1.00 0.00 N flip ATOM 0 H ASN A 87 -8.324 8.271 -38.589 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.719 8.240 -36.887 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.326 7.752 -39.188 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.014 6.599 -39.334 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -13.167 7.098 -37.882 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -13.380 5.399 -37.448 1.00 0.00 H new ATOM 1373 N ILE A 88 -9.433 6.769 -35.398 1.00 0.00 N ATOM 1374 CA ILE A 88 -8.829 5.805 -34.515 1.00 0.00 C ATOM 1375 C ILE A 88 -9.662 4.545 -34.511 1.00 0.00 C ATOM 1376 O ILE A 88 -10.891 4.602 -34.476 1.00 0.00 O ATOM 1377 CB ILE A 88 -8.716 6.319 -33.059 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -7.843 7.577 -32.982 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -8.149 5.217 -32.159 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -6.418 7.351 -33.414 1.00 0.00 C ATOM 0 H ILE A 88 -10.025 7.457 -34.933 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.821 5.617 -34.885 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.714 6.585 -32.711 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.284 8.354 -33.607 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.848 7.950 -31.958 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -8.072 5.586 -31.136 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.810 4.351 -32.184 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.160 4.929 -32.516 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.861 8.284 -33.333 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.959 6.598 -32.774 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.402 7.007 -34.448 1.00 0.00 H new ATOM 1392 N MET A 89 -9.008 3.439 -34.594 1.00 0.00 N ATOM 1393 CA MET A 89 -9.626 2.165 -34.502 1.00 0.00 C ATOM 1394 C MET A 89 -8.625 1.247 -33.823 1.00 0.00 C ATOM 1395 O MET A 89 -7.460 1.565 -33.747 1.00 0.00 O ATOM 1396 CB MET A 89 -10.011 1.618 -35.908 1.00 0.00 C ATOM 1397 CG MET A 89 -8.838 1.099 -36.743 1.00 0.00 C ATOM 1398 SD MET A 89 -9.307 0.592 -38.418 1.00 0.00 S ATOM 1399 CE MET A 89 -9.496 2.155 -39.255 1.00 0.00 C ATOM 0 H MET A 89 -7.998 3.396 -34.732 1.00 0.00 H new ATOM 0 HA MET A 89 -10.553 2.228 -33.932 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.733 0.811 -35.782 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.512 2.410 -36.465 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.077 1.877 -36.808 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.385 0.251 -36.229 1.00 0.00 H new ATOM 0 HE1 MET A 89 -9.271 2.030 -40.314 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.521 2.507 -39.141 1.00 0.00 H new ATOM 0 HE3 MET A 89 -8.811 2.884 -38.822 1.00 0.00 H new ATOM 1409 N THR A 90 -9.070 0.198 -33.267 1.00 0.00 N ATOM 1410 CA THR A 90 -8.206 -0.808 -32.736 1.00 0.00 C ATOM 1411 C THR A 90 -7.578 -1.606 -33.873 1.00 0.00 C ATOM 1412 O THR A 90 -8.178 -1.743 -34.932 1.00 0.00 O ATOM 1413 CB THR A 90 -9.057 -1.715 -31.866 1.00 0.00 C ATOM 1414 OG1 THR A 90 -10.420 -1.576 -32.319 1.00 0.00 O ATOM 1415 CG2 THR A 90 -8.982 -1.296 -30.429 1.00 0.00 C ATOM 0 H THR A 90 -10.063 -0.006 -33.158 1.00 0.00 H new ATOM 0 HA THR A 90 -7.400 -0.362 -32.154 1.00 0.00 H new ATOM 0 HB THR A 90 -8.704 -2.744 -31.942 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.901 -2.417 -32.171 1.00 0.00 H new ATOM 0 HG21 THR A 90 -9.599 -1.960 -29.824 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.948 -1.350 -30.088 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.344 -0.273 -30.329 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.371 -2.094 -33.658 1.00 0.00 N ATOM 1424 CA VAL A 91 -5.662 -2.950 -34.623 1.00 0.00 C ATOM 1425 C VAL A 91 -6.556 -4.134 -35.042 1.00 0.00 C ATOM 1426 O VAL A 91 -6.635 -4.493 -36.226 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.355 -3.479 -33.975 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -3.710 -4.582 -34.792 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.364 -2.362 -33.799 1.00 0.00 C ATOM 0 H VAL A 91 -5.841 -1.913 -32.806 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.419 -2.366 -35.511 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.635 -3.891 -33.005 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.799 -4.917 -34.296 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.402 -5.419 -34.884 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.464 -4.204 -35.784 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.454 -2.752 -33.343 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.127 -1.930 -34.771 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.792 -1.594 -33.155 1.00 0.00 H new ATOM 1439 N ASP A 92 -7.260 -4.677 -34.064 1.00 0.00 N ATOM 1440 CA ASP A 92 -8.197 -5.786 -34.239 1.00 0.00 C ATOM 1441 C ASP A 92 -9.283 -5.408 -35.232 1.00 0.00 C ATOM 1442 O ASP A 92 -9.652 -6.189 -36.107 1.00 0.00 O ATOM 1443 CB ASP A 92 -8.860 -6.097 -32.898 1.00 0.00 C ATOM 1444 CG ASP A 92 -7.876 -6.424 -31.808 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -7.313 -5.479 -31.199 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -7.650 -7.619 -31.526 1.00 0.00 O ATOM 0 H ASP A 92 -7.198 -4.354 -33.099 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.649 -6.652 -34.610 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.461 -5.241 -32.591 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.543 -6.937 -33.025 1.00 0.00 H new ATOM 1451 N ASP A 93 -9.733 -4.178 -35.131 1.00 0.00 N ATOM 1452 CA ASP A 93 -10.824 -3.659 -35.950 1.00 0.00 C ATOM 1453 C ASP A 93 -10.297 -3.098 -37.247 1.00 0.00 C ATOM 1454 O ASP A 93 -11.047 -2.722 -38.134 1.00 0.00 O ATOM 1455 CB ASP A 93 -11.643 -2.611 -35.178 1.00 0.00 C ATOM 1456 CG ASP A 93 -12.496 -3.219 -34.081 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -11.946 -3.563 -33.001 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -13.726 -3.374 -34.272 1.00 0.00 O ATOM 0 H ASP A 93 -9.353 -3.497 -34.474 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.492 -4.486 -36.191 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -10.965 -1.878 -34.740 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.286 -2.074 -35.875 1.00 0.00 H new ATOM 1463 N TYR A 94 -9.005 -3.058 -37.355 1.00 0.00 N ATOM 1464 CA TYR A 94 -8.360 -2.620 -38.551 1.00 0.00 C ATOM 1465 C TYR A 94 -8.081 -3.783 -39.457 1.00 0.00 C ATOM 1466 O TYR A 94 -8.513 -3.807 -40.610 1.00 0.00 O ATOM 1467 CB TYR A 94 -7.075 -1.875 -38.226 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.196 -1.556 -39.418 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -6.529 -0.550 -40.309 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -5.022 -2.261 -39.635 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -5.719 -0.257 -41.380 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -4.205 -1.973 -40.704 1.00 0.00 C ATOM 1473 CZ TYR A 94 -4.555 -0.970 -41.573 1.00 0.00 C ATOM 1474 OH TYR A 94 -3.743 -0.678 -42.648 1.00 0.00 O ATOM 0 H TYR A 94 -8.365 -3.331 -36.609 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.031 -1.935 -39.069 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.332 -0.942 -37.724 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.498 -2.470 -37.518 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.439 0.013 -40.160 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.744 -3.051 -38.953 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.993 0.529 -42.068 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.294 -2.533 -40.858 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.963 -1.271 -42.639 1.00 0.00 H new ATOM 1484 N PHE A 95 -7.381 -4.756 -38.930 1.00 0.00 N ATOM 1485 CA PHE A 95 -6.987 -5.920 -39.695 1.00 0.00 C ATOM 1486 C PHE A 95 -8.123 -6.805 -40.099 1.00 0.00 C ATOM 1487 O PHE A 95 -7.954 -7.701 -40.878 1.00 0.00 O ATOM 1488 CB PHE A 95 -5.911 -6.701 -39.014 1.00 0.00 C ATOM 1489 CG PHE A 95 -4.563 -6.079 -39.189 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.030 -5.919 -40.460 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -3.840 -5.627 -38.109 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -2.802 -5.326 -40.642 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -2.608 -5.029 -38.286 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.088 -4.879 -39.555 1.00 0.00 C ATOM 0 H PHE A 95 -7.067 -4.767 -37.960 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.582 -5.517 -40.623 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.138 -6.778 -37.951 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.895 -7.716 -39.411 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.587 -6.265 -41.318 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.240 -5.741 -37.112 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.399 -5.212 -41.638 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.051 -4.678 -37.430 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.124 -4.412 -39.694 1.00 0.00 H new ATOM 1504 N ARG A 96 -9.253 -6.581 -39.538 1.00 0.00 N ATOM 1505 CA ARG A 96 -10.440 -7.261 -39.983 1.00 0.00 C ATOM 1506 C ARG A 96 -10.862 -6.808 -41.394 1.00 0.00 C ATOM 1507 O ARG A 96 -11.570 -7.524 -42.089 1.00 0.00 O ATOM 1508 CB ARG A 96 -11.574 -7.171 -38.941 1.00 0.00 C ATOM 1509 CG ARG A 96 -12.035 -5.775 -38.514 1.00 0.00 C ATOM 1510 CD ARG A 96 -12.789 -5.002 -39.587 1.00 0.00 C ATOM 1511 NE ARG A 96 -13.910 -5.737 -40.191 1.00 0.00 N ATOM 1512 CZ ARG A 96 -14.711 -5.224 -41.145 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -14.755 -3.902 -41.336 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -15.529 -6.016 -41.823 1.00 0.00 N ATOM 0 H ARG A 96 -9.395 -5.931 -38.765 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.204 -8.321 -40.072 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.438 -7.703 -39.338 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.253 -7.707 -38.048 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.674 -5.870 -37.636 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.163 -5.195 -38.212 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.169 -4.078 -39.152 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.089 -4.720 -40.374 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.091 -6.688 -39.870 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.183 -3.284 -40.760 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.361 -3.511 -42.058 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.553 -7.016 -41.623 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.135 -5.626 -42.545 1.00 0.00 H new ATOM 1528 N GLN A 97 -10.402 -5.621 -41.804 1.00 0.00 N ATOM 1529 CA GLN A 97 -10.723 -5.073 -43.125 1.00 0.00 C ATOM 1530 C GLN A 97 -9.740 -5.625 -44.139 1.00 0.00 C ATOM 1531 O GLN A 97 -10.099 -5.972 -45.258 1.00 0.00 O ATOM 1532 CB GLN A 97 -10.568 -3.544 -43.127 1.00 0.00 C ATOM 1533 CG GLN A 97 -11.321 -2.822 -42.035 1.00 0.00 C ATOM 1534 CD GLN A 97 -11.026 -1.334 -42.017 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -9.996 -0.964 -41.310 1.00 0.00 O flip ATOM 1536 NE2 GLN A 97 -11.705 -0.534 -42.667 1.00 0.00 N flip ATOM 0 H GLN A 97 -9.804 -5.020 -41.237 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.750 -5.345 -43.370 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -9.509 -3.302 -43.038 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -10.903 -3.162 -44.091 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.391 -2.976 -42.172 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.058 -3.254 -41.069 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.504 -0.865 -43.208 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -11.467 0.458 -42.663 1.00 0.00 H new