USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=26 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 55 ASN : amide:sc=-0.00659 X(o=2.5,f=2.4) USER MOD Set 1.2: A 56 SER OG : rot 172:sc= 1.54 USER MOD Set 1.3: A 94 TYR OH : rot 180:sc= 0.954 USER MOD Set 2.1: A 15 SER OG : rot -141:sc= 0 USER MOD Set 2.2: A 87 ASN : amide:sc= -0.896 K(o=-3.1,f=-0.41) USER MOD Set 2.3: A 89 MET CE :methyl 141:sc= -0.72 (180deg=0) USER MOD Set 2.4: A 97 GLN : amide:sc= -1.5 K(o=-3.1,f=-0.41) USER MOD Set 3.1: A 34 TYR OH : rot 119:sc= 1.3 USER MOD Set 3.2: A 40 SER OG : rot -40:sc= 0.776 USER MOD Set 3.3: A 51 GLN : amide:sc= 0.29 K(o=0.32,f=-0.78) USER MOD Set 3.4: A 53 ASN : amide:sc= -2.05 K(o=0.32,f=-2.9!) USER MOD Set 4.1: A 18 TYR OH : rot -72:sc= 0.976 USER MOD Set 4.2: A 23 SER OG : rot -69:sc= -0.824 USER MOD Set 5.1: A 10 ASN : amide:sc= -1.13 K(o=-0.44,f=0.69) USER MOD Set 5.2: A 62 SER OG : rot -32:sc= 0.691 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.361 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 21 SER OG : rot 69:sc= 0.498 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 79:sc= 0.596 USER MOD Single : A 33 MET CE :methyl -114:sc= -3.71! (180deg=-5.35!) USER MOD Single : A 36 MET CE :methyl -171:sc= -1.31 (180deg=-1.7) USER MOD Single : A 37 ASN : amide:sc= -0.429 X(o=-0.43,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 30:sc= -1.86! USER MOD Single : A 61 THR OG1 : rot 150:sc= -1.45 USER MOD Single : A 66 SER OG : rot 180:sc= 0.00388 USER MOD Single : A 75 LYS NZ :NH3+ 171:sc=-0.00165 (180deg=-0.111) USER MOD Single : A 76 CYS SG : rot -170:sc= -1.8 USER MOD Single : A 90 THR OG1 : rot 128:sc= 1.56 USER MOD ----------------------------------------------------------------- ATOM 122 N PHE A 9 -0.888 -2.258 -22.449 1.00 0.00 N ATOM 123 CA PHE A 9 -0.856 -1.467 -23.632 1.00 0.00 C ATOM 124 C PHE A 9 -1.781 -2.073 -24.648 1.00 0.00 C ATOM 125 O PHE A 9 -1.652 -3.244 -25.006 1.00 0.00 O ATOM 126 CB PHE A 9 0.572 -1.343 -24.168 1.00 0.00 C ATOM 127 CG PHE A 9 1.467 -0.498 -23.307 1.00 0.00 C ATOM 128 CD1 PHE A 9 2.045 -1.006 -22.154 1.00 0.00 C ATOM 129 CD2 PHE A 9 1.731 0.809 -23.659 1.00 0.00 C ATOM 130 CE1 PHE A 9 2.864 -0.221 -21.369 1.00 0.00 C ATOM 131 CE2 PHE A 9 2.547 1.596 -22.882 1.00 0.00 C ATOM 132 CZ PHE A 9 3.115 1.081 -21.734 1.00 0.00 C ATOM 0 HA PHE A 9 -1.195 -0.456 -23.407 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.005 -2.339 -24.259 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.539 -0.917 -25.171 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.852 -2.029 -21.867 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.291 1.219 -24.556 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.306 -0.627 -20.471 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.744 2.618 -23.170 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.756 1.700 -21.123 1.00 0.00 H new ATOM 142 N ASN A 10 -2.737 -1.307 -25.063 1.00 0.00 N ATOM 143 CA ASN A 10 -3.708 -1.760 -26.022 1.00 0.00 C ATOM 144 C ASN A 10 -3.213 -1.351 -27.378 1.00 0.00 C ATOM 145 O ASN A 10 -2.216 -0.639 -27.478 1.00 0.00 O ATOM 146 CB ASN A 10 -5.077 -1.142 -25.736 1.00 0.00 C ATOM 147 CG ASN A 10 -5.618 -1.532 -24.367 1.00 0.00 C ATOM 148 OD1 ASN A 10 -6.431 -2.442 -24.239 1.00 0.00 O ATOM 149 ND2 ASN A 10 -5.115 -0.904 -23.334 1.00 0.00 N ATOM 0 H ASN A 10 -2.872 -0.346 -24.749 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.828 -2.842 -25.968 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -5.002 -0.056 -25.798 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.782 -1.457 -26.505 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.397 -1.167 -22.390 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.441 -0.151 -23.473 1.00 0.00 H new ATOM 156 N THR A 11 -3.871 -1.726 -28.408 1.00 0.00 N ATOM 157 CA THR A 11 -3.347 -1.424 -29.686 1.00 0.00 C ATOM 158 C THR A 11 -4.442 -0.880 -30.619 1.00 0.00 C ATOM 159 O THR A 11 -5.519 -1.472 -30.783 1.00 0.00 O ATOM 160 CB THR A 11 -2.556 -2.654 -30.250 1.00 0.00 C ATOM 161 OG1 THR A 11 -1.773 -2.305 -31.403 1.00 0.00 O ATOM 162 CG2 THR A 11 -3.467 -3.835 -30.572 1.00 0.00 C ATOM 0 H THR A 11 -4.756 -2.233 -28.396 1.00 0.00 H new ATOM 0 HA THR A 11 -2.621 -0.615 -29.607 1.00 0.00 H new ATOM 0 HB THR A 11 -1.878 -2.963 -29.454 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.293 -3.097 -31.725 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.870 -4.660 -30.959 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.983 -4.154 -29.666 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.200 -3.535 -31.321 1.00 0.00 H new ATOM 170 N TYR A 12 -4.179 0.274 -31.173 1.00 0.00 N ATOM 171 CA TYR A 12 -5.111 0.965 -32.026 1.00 0.00 C ATOM 172 C TYR A 12 -4.489 1.287 -33.350 1.00 0.00 C ATOM 173 O TYR A 12 -3.275 1.282 -33.483 1.00 0.00 O ATOM 174 CB TYR A 12 -5.578 2.259 -31.375 1.00 0.00 C ATOM 175 CG TYR A 12 -6.573 2.095 -30.252 1.00 0.00 C ATOM 176 CD1 TYR A 12 -7.939 2.073 -30.514 1.00 0.00 C ATOM 177 CD2 TYR A 12 -6.155 1.994 -28.929 1.00 0.00 C ATOM 178 CE1 TYR A 12 -8.855 1.952 -29.493 1.00 0.00 C ATOM 179 CE2 TYR A 12 -7.070 1.876 -27.903 1.00 0.00 C ATOM 180 CZ TYR A 12 -8.417 1.856 -28.192 1.00 0.00 C ATOM 181 OH TYR A 12 -9.333 1.744 -27.176 1.00 0.00 O ATOM 0 H TYR A 12 -3.297 0.769 -31.042 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.964 0.304 -32.180 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.706 2.788 -30.991 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -6.023 2.892 -32.143 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.286 2.152 -31.534 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -5.099 2.008 -28.702 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -9.912 1.933 -29.712 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.732 1.800 -26.880 1.00 0.00 H new ATOM 0 HH TYR A 12 -8.864 1.685 -26.318 1.00 0.00 H new ATOM 191 N VAL A 13 -5.325 1.558 -34.299 1.00 0.00 N ATOM 192 CA VAL A 13 -4.958 1.942 -35.637 1.00 0.00 C ATOM 193 C VAL A 13 -5.642 3.260 -36.011 1.00 0.00 C ATOM 194 O VAL A 13 -6.782 3.510 -35.628 1.00 0.00 O ATOM 195 CB VAL A 13 -5.327 0.820 -36.664 1.00 0.00 C ATOM 196 CG1 VAL A 13 -5.314 1.332 -38.086 1.00 0.00 C ATOM 197 CG2 VAL A 13 -4.334 -0.300 -36.564 1.00 0.00 C ATOM 0 H VAL A 13 -6.335 1.518 -34.162 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.878 2.084 -35.670 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.333 0.477 -36.422 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.575 0.522 -38.767 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.038 2.140 -38.188 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.319 1.704 -38.330 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.592 -1.080 -37.280 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.336 0.078 -36.784 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.351 -0.713 -35.555 1.00 0.00 H new ATOM 207 N VAL A 14 -4.943 4.092 -36.726 1.00 0.00 N ATOM 208 CA VAL A 14 -5.478 5.320 -37.196 1.00 0.00 C ATOM 209 C VAL A 14 -5.387 5.347 -38.703 1.00 0.00 C ATOM 210 O VAL A 14 -4.435 4.857 -39.282 1.00 0.00 O ATOM 211 CB VAL A 14 -4.780 6.554 -36.566 1.00 0.00 C ATOM 212 CG1 VAL A 14 -3.281 6.536 -36.801 1.00 0.00 C ATOM 213 CG2 VAL A 14 -5.406 7.860 -37.066 1.00 0.00 C ATOM 0 H VAL A 14 -3.974 3.928 -36.998 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.522 5.381 -36.889 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.937 6.499 -35.489 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.830 7.417 -36.344 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.854 5.638 -36.356 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.081 6.540 -37.872 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.896 8.707 -36.607 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.306 7.920 -38.150 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.462 7.883 -36.797 1.00 0.00 H new ATOM 223 N SER A 15 -6.405 5.817 -39.310 1.00 0.00 N ATOM 224 CA SER A 15 -6.474 5.946 -40.731 1.00 0.00 C ATOM 225 C SER A 15 -6.584 7.427 -41.088 1.00 0.00 C ATOM 226 O SER A 15 -7.556 8.085 -40.718 1.00 0.00 O ATOM 227 CB SER A 15 -7.678 5.137 -41.201 1.00 0.00 C ATOM 228 OG SER A 15 -7.520 3.794 -40.771 1.00 0.00 O ATOM 0 H SER A 15 -7.245 6.136 -38.828 1.00 0.00 H new ATOM 0 HA SER A 15 -5.582 5.564 -41.227 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.598 5.558 -40.795 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.761 5.179 -42.287 1.00 0.00 H new ATOM 0 HG SER A 15 -7.833 3.187 -41.473 1.00 0.00 H new ATOM 234 N PHE A 16 -5.556 7.964 -41.716 1.00 0.00 N ATOM 235 CA PHE A 16 -5.536 9.371 -42.076 1.00 0.00 C ATOM 236 C PHE A 16 -6.023 9.616 -43.466 1.00 0.00 C ATOM 237 O PHE A 16 -5.661 8.915 -44.398 1.00 0.00 O ATOM 238 CB PHE A 16 -4.155 9.989 -41.917 1.00 0.00 C ATOM 239 CG PHE A 16 -3.794 10.297 -40.512 1.00 0.00 C ATOM 240 CD1 PHE A 16 -3.205 9.355 -39.703 1.00 0.00 C ATOM 241 CD2 PHE A 16 -4.054 11.547 -39.996 1.00 0.00 C ATOM 242 CE1 PHE A 16 -2.886 9.660 -38.403 1.00 0.00 C ATOM 243 CE2 PHE A 16 -3.736 11.851 -38.703 1.00 0.00 C ATOM 244 CZ PHE A 16 -3.155 10.909 -37.904 1.00 0.00 C ATOM 0 H PHE A 16 -4.721 7.446 -41.989 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.221 9.852 -41.378 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.412 9.307 -42.332 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.108 10.907 -42.504 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.992 8.370 -40.092 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.515 12.297 -40.622 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.423 8.916 -37.772 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.944 12.836 -38.313 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.907 11.147 -36.880 1.00 0.00 H new ATOM 254 N ASP A 17 -6.826 10.618 -43.597 1.00 0.00 N ATOM 255 CA ASP A 17 -7.337 11.026 -44.871 1.00 0.00 C ATOM 256 C ASP A 17 -7.184 12.466 -45.030 1.00 0.00 C ATOM 257 O ASP A 17 -7.476 13.240 -44.107 1.00 0.00 O ATOM 258 CB ASP A 17 -8.766 10.656 -45.039 1.00 0.00 C ATOM 259 CG ASP A 17 -9.383 11.162 -46.333 1.00 0.00 C ATOM 260 OD1 ASP A 17 -8.955 10.744 -47.407 1.00 0.00 O ATOM 261 OD2 ASP A 17 -10.356 11.943 -46.279 1.00 0.00 O ATOM 0 H ASP A 17 -7.152 11.186 -42.815 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.763 10.504 -45.637 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.857 9.570 -45.004 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.335 11.051 -44.197 1.00 0.00 H new ATOM 266 N TYR A 18 -6.727 12.818 -46.172 1.00 0.00 N ATOM 267 CA TYR A 18 -6.447 14.154 -46.533 1.00 0.00 C ATOM 268 C TYR A 18 -6.028 14.118 -47.997 1.00 0.00 C ATOM 269 O TYR A 18 -5.602 13.056 -48.480 1.00 0.00 O ATOM 270 CB TYR A 18 -5.321 14.684 -45.610 1.00 0.00 C ATOM 271 CG TYR A 18 -3.953 14.060 -45.829 1.00 0.00 C ATOM 272 CD1 TYR A 18 -3.562 12.900 -45.166 1.00 0.00 C ATOM 273 CD2 TYR A 18 -3.067 14.629 -46.709 1.00 0.00 C ATOM 274 CE1 TYR A 18 -2.318 12.341 -45.396 1.00 0.00 C ATOM 275 CE2 TYR A 18 -1.845 14.083 -46.946 1.00 0.00 C ATOM 276 CZ TYR A 18 -1.466 12.946 -46.298 1.00 0.00 C ATOM 277 OH TYR A 18 -0.227 12.407 -46.560 1.00 0.00 O ATOM 0 H TYR A 18 -6.529 12.149 -46.916 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.301 14.821 -46.416 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.237 15.762 -45.750 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.616 14.519 -44.574 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.237 12.432 -44.465 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.348 15.534 -47.227 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.017 11.443 -44.877 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.173 14.552 -47.650 1.00 0.00 H new ATOM 0 HH TYR A 18 0.359 12.543 -45.787 1.00 0.00 H new ATOM 287 N PRO A 19 -6.231 15.189 -48.749 1.00 0.00 N ATOM 288 CA PRO A 19 -5.788 15.256 -50.136 1.00 0.00 C ATOM 289 C PRO A 19 -4.268 15.397 -50.244 1.00 0.00 C ATOM 290 O PRO A 19 -3.611 15.919 -49.331 1.00 0.00 O ATOM 291 CB PRO A 19 -6.473 16.496 -50.691 1.00 0.00 C ATOM 292 CG PRO A 19 -6.835 17.322 -49.510 1.00 0.00 C ATOM 293 CD PRO A 19 -6.954 16.400 -48.334 1.00 0.00 C ATOM 0 HA PRO A 19 -6.040 14.347 -50.681 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.809 17.042 -51.361 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.359 16.228 -51.267 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.075 18.082 -49.326 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.775 17.846 -49.683 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.514 16.839 -47.438 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.997 16.182 -48.103 1.00 0.00 H new ATOM 301 N SER A 20 -3.728 14.987 -51.382 1.00 0.00 N ATOM 302 CA SER A 20 -2.285 14.966 -51.650 1.00 0.00 C ATOM 303 C SER A 20 -1.641 16.365 -51.533 1.00 0.00 C ATOM 304 O SER A 20 -0.421 16.497 -51.383 1.00 0.00 O ATOM 305 CB SER A 20 -2.060 14.403 -53.046 1.00 0.00 C ATOM 306 OG SER A 20 -2.882 13.261 -53.260 1.00 0.00 O ATOM 0 H SER A 20 -4.287 14.651 -52.166 1.00 0.00 H new ATOM 0 HA SER A 20 -1.808 14.338 -50.898 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.284 15.165 -53.793 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.012 14.133 -53.171 1.00 0.00 H new ATOM 0 HG SER A 20 -2.728 12.911 -54.162 1.00 0.00 H new ATOM 312 N SER A 21 -2.455 17.387 -51.575 1.00 0.00 N ATOM 313 CA SER A 21 -2.002 18.738 -51.437 1.00 0.00 C ATOM 314 C SER A 21 -1.380 18.987 -50.050 1.00 0.00 C ATOM 315 O SER A 21 -0.464 19.801 -49.901 1.00 0.00 O ATOM 316 CB SER A 21 -3.177 19.661 -51.697 1.00 0.00 C ATOM 317 OG SER A 21 -4.337 19.178 -51.032 1.00 0.00 O ATOM 0 H SER A 21 -3.462 17.299 -51.708 1.00 0.00 H new ATOM 0 HA SER A 21 -1.213 18.937 -52.163 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.942 20.667 -51.350 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.365 19.729 -52.768 1.00 0.00 H new ATOM 0 HG SER A 21 -4.218 19.264 -50.063 1.00 0.00 H new ATOM 323 N TYR A 22 -1.828 18.242 -49.047 1.00 0.00 N ATOM 324 CA TYR A 22 -1.317 18.447 -47.693 1.00 0.00 C ATOM 325 C TYR A 22 -0.260 17.435 -47.343 1.00 0.00 C ATOM 326 O TYR A 22 0.243 17.436 -46.240 1.00 0.00 O ATOM 327 CB TYR A 22 -2.396 18.403 -46.612 1.00 0.00 C ATOM 328 CG TYR A 22 -3.529 19.381 -46.725 1.00 0.00 C ATOM 329 CD1 TYR A 22 -4.502 19.229 -47.675 1.00 0.00 C ATOM 330 CD2 TYR A 22 -3.645 20.426 -45.829 1.00 0.00 C ATOM 331 CE1 TYR A 22 -5.567 20.093 -47.751 1.00 0.00 C ATOM 332 CE2 TYR A 22 -4.704 21.306 -45.894 1.00 0.00 C ATOM 333 CZ TYR A 22 -5.665 21.132 -46.859 1.00 0.00 C ATOM 334 OH TYR A 22 -6.740 21.995 -46.919 1.00 0.00 O ATOM 0 H TYR A 22 -2.528 17.506 -49.138 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.895 19.452 -47.709 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.819 17.398 -46.599 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.913 18.558 -45.647 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -4.431 18.413 -48.379 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.893 20.556 -45.065 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.324 19.956 -48.509 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.777 22.124 -45.193 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.655 22.672 -46.216 1.00 0.00 H new ATOM 344 N SER A 23 0.106 16.613 -48.280 1.00 0.00 N ATOM 345 CA SER A 23 1.106 15.579 -48.042 1.00 0.00 C ATOM 346 C SER A 23 2.437 16.196 -47.682 1.00 0.00 C ATOM 347 O SER A 23 3.126 15.708 -46.822 1.00 0.00 O ATOM 348 CB SER A 23 1.222 14.671 -49.254 1.00 0.00 C ATOM 349 OG SER A 23 -0.019 14.049 -49.527 1.00 0.00 O ATOM 0 H SER A 23 -0.268 16.627 -49.229 1.00 0.00 H new ATOM 0 HA SER A 23 0.788 14.970 -47.196 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.544 15.250 -50.120 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.984 13.913 -49.076 1.00 0.00 H new ATOM 0 HG SER A 23 -0.221 13.399 -48.822 1.00 0.00 H new ATOM 355 N SER A 24 2.715 17.348 -48.240 1.00 0.00 N ATOM 356 CA SER A 24 3.967 18.010 -48.004 1.00 0.00 C ATOM 357 C SER A 24 4.001 18.637 -46.606 1.00 0.00 C ATOM 358 O SER A 24 5.066 18.876 -46.040 1.00 0.00 O ATOM 359 CB SER A 24 4.170 19.051 -49.082 1.00 0.00 C ATOM 360 OG SER A 24 3.964 18.460 -50.364 1.00 0.00 O ATOM 0 H SER A 24 2.083 17.848 -48.866 1.00 0.00 H new ATOM 0 HA SER A 24 4.781 17.286 -48.044 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.477 19.879 -48.937 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.177 19.463 -49.018 1.00 0.00 H new ATOM 0 HG SER A 24 4.094 19.137 -51.061 1.00 0.00 H new ATOM 366 N VAL A 25 2.840 18.841 -46.039 1.00 0.00 N ATOM 367 CA VAL A 25 2.750 19.466 -44.745 1.00 0.00 C ATOM 368 C VAL A 25 2.505 18.380 -43.682 1.00 0.00 C ATOM 369 O VAL A 25 2.814 18.548 -42.500 1.00 0.00 O ATOM 370 CB VAL A 25 1.632 20.563 -44.712 1.00 0.00 C ATOM 371 CG1 VAL A 25 0.289 20.029 -44.299 1.00 0.00 C ATOM 372 CG2 VAL A 25 2.042 21.743 -43.874 1.00 0.00 C ATOM 0 H VAL A 25 1.944 18.584 -46.453 1.00 0.00 H new ATOM 0 HA VAL A 25 3.689 19.975 -44.528 1.00 0.00 H new ATOM 0 HB VAL A 25 1.514 20.907 -45.740 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.440 20.840 -44.297 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.028 19.258 -45.002 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.359 19.602 -43.299 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.243 22.484 -43.874 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.233 21.415 -42.852 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.948 22.186 -44.288 1.00 0.00 H new ATOM 382 N PHE A 26 2.007 17.235 -44.139 1.00 0.00 N ATOM 383 CA PHE A 26 1.723 16.102 -43.287 1.00 0.00 C ATOM 384 C PHE A 26 3.014 15.467 -42.824 1.00 0.00 C ATOM 385 O PHE A 26 3.062 14.776 -41.803 1.00 0.00 O ATOM 386 CB PHE A 26 0.816 15.076 -44.020 1.00 0.00 C ATOM 387 CG PHE A 26 0.944 13.679 -43.486 1.00 0.00 C ATOM 388 CD1 PHE A 26 0.268 13.285 -42.346 1.00 0.00 C ATOM 389 CD2 PHE A 26 1.805 12.779 -44.103 1.00 0.00 C ATOM 390 CE1 PHE A 26 0.455 12.020 -41.832 1.00 0.00 C ATOM 391 CE2 PHE A 26 1.982 11.521 -43.602 1.00 0.00 C ATOM 392 CZ PHE A 26 1.315 11.141 -42.466 1.00 0.00 C ATOM 0 H PHE A 26 1.790 17.074 -45.122 1.00 0.00 H new ATOM 0 HA PHE A 26 1.179 16.448 -42.408 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.223 15.395 -43.936 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.065 15.076 -45.081 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.408 13.970 -41.857 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.342 13.079 -44.991 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.068 11.716 -40.937 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.645 10.828 -44.099 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.462 10.150 -42.064 1.00 0.00 H new ATOM 402 N LEU A 27 4.074 15.748 -43.539 1.00 0.00 N ATOM 403 CA LEU A 27 5.377 15.200 -43.228 1.00 0.00 C ATOM 404 C LEU A 27 5.838 15.681 -41.849 1.00 0.00 C ATOM 405 O LEU A 27 6.729 15.113 -41.250 1.00 0.00 O ATOM 406 CB LEU A 27 6.399 15.602 -44.285 1.00 0.00 C ATOM 407 CG LEU A 27 5.995 15.378 -45.743 1.00 0.00 C ATOM 408 CD1 LEU A 27 7.128 15.723 -46.677 1.00 0.00 C ATOM 409 CD2 LEU A 27 5.474 13.961 -45.981 1.00 0.00 C ATOM 0 H LEU A 27 4.062 16.362 -44.353 1.00 0.00 H new ATOM 0 HA LEU A 27 5.296 14.113 -43.219 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.629 16.659 -44.153 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.320 15.050 -44.097 1.00 0.00 H new ATOM 0 HG LEU A 27 5.169 16.054 -45.962 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.814 15.555 -47.707 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.401 16.770 -46.547 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.989 15.093 -46.453 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.199 13.846 -47.029 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.252 13.240 -45.729 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.599 13.785 -45.355 1.00 0.00 H new ATOM 421 N ARG A 28 5.202 16.720 -41.354 1.00 0.00 N ATOM 422 CA ARG A 28 5.496 17.218 -40.039 1.00 0.00 C ATOM 423 C ARG A 28 4.756 16.351 -39.034 1.00 0.00 C ATOM 424 O ARG A 28 5.323 15.864 -38.085 1.00 0.00 O ATOM 425 CB ARG A 28 5.044 18.673 -39.888 1.00 0.00 C ATOM 426 CG ARG A 28 5.483 19.605 -41.010 1.00 0.00 C ATOM 427 CD ARG A 28 6.958 19.480 -41.302 1.00 0.00 C ATOM 428 NE ARG A 28 7.794 19.775 -40.125 1.00 0.00 N ATOM 429 CZ ARG A 28 9.115 19.988 -40.159 1.00 0.00 C ATOM 430 NH1 ARG A 28 9.770 19.988 -41.323 1.00 0.00 N ATOM 431 NH2 ARG A 28 9.780 20.204 -39.030 1.00 0.00 N ATOM 0 H ARG A 28 4.475 17.235 -41.850 1.00 0.00 H new ATOM 0 HA ARG A 28 6.572 17.182 -39.870 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.956 18.695 -39.823 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.427 19.060 -38.944 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.914 19.380 -41.912 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.253 20.635 -40.737 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.171 18.470 -41.651 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.224 20.160 -42.112 1.00 0.00 H new ATOM 0 HE ARG A 28 7.332 19.820 -39.217 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.263 19.825 -42.193 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.777 20.151 -41.342 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.284 20.207 -38.139 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.787 20.366 -39.054 1.00 0.00 H new ATOM 445 N LEU A 29 3.494 16.098 -39.336 1.00 0.00 N ATOM 446 CA LEU A 29 2.593 15.317 -38.488 1.00 0.00 C ATOM 447 C LEU A 29 3.104 13.876 -38.374 1.00 0.00 C ATOM 448 O LEU A 29 2.970 13.242 -37.326 1.00 0.00 O ATOM 449 CB LEU A 29 1.156 15.380 -39.099 1.00 0.00 C ATOM 450 CG LEU A 29 -0.057 14.902 -38.250 1.00 0.00 C ATOM 451 CD1 LEU A 29 -0.153 13.390 -38.184 1.00 0.00 C ATOM 452 CD2 LEU A 29 -0.003 15.497 -36.843 1.00 0.00 C ATOM 0 H LEU A 29 3.053 16.434 -40.192 1.00 0.00 H new ATOM 0 HA LEU A 29 2.560 15.729 -37.479 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.967 16.415 -39.385 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.165 14.792 -40.017 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.956 15.262 -38.750 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.015 13.106 -37.580 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.267 12.988 -39.191 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.754 12.987 -37.733 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.861 15.149 -36.268 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.917 15.182 -36.350 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.026 16.585 -36.907 1.00 0.00 H new ATOM 464 N ARG A 30 3.735 13.378 -39.438 1.00 0.00 N ATOM 465 CA ARG A 30 4.266 12.014 -39.423 1.00 0.00 C ATOM 466 C ARG A 30 5.384 11.917 -38.413 1.00 0.00 C ATOM 467 O ARG A 30 5.463 10.961 -37.639 1.00 0.00 O ATOM 468 CB ARG A 30 4.708 11.546 -40.821 1.00 0.00 C ATOM 469 CG ARG A 30 6.006 12.136 -41.318 1.00 0.00 C ATOM 470 CD ARG A 30 6.332 11.742 -42.752 1.00 0.00 C ATOM 471 NE ARG A 30 6.549 10.309 -42.930 1.00 0.00 N ATOM 472 CZ ARG A 30 7.752 9.716 -43.033 1.00 0.00 C ATOM 473 NH1 ARG A 30 8.865 10.395 -42.748 1.00 0.00 N ATOM 474 NH2 ARG A 30 7.830 8.445 -43.387 1.00 0.00 N ATOM 0 H ARG A 30 3.889 13.888 -40.308 1.00 0.00 H new ATOM 0 HA ARG A 30 3.467 11.337 -39.123 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.802 10.460 -40.810 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.920 11.790 -41.534 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.954 13.223 -41.249 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.818 11.814 -40.666 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.517 12.061 -43.402 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.225 12.279 -43.073 1.00 0.00 H new ATOM 0 HE ARG A 30 5.724 9.711 -42.980 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.806 11.369 -42.450 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.774 9.940 -42.828 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.979 7.917 -43.581 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.741 7.993 -43.466 1.00 0.00 H new ATOM 488 N SER A 31 6.187 12.956 -38.377 1.00 0.00 N ATOM 489 CA SER A 31 7.281 13.063 -37.441 1.00 0.00 C ATOM 490 C SER A 31 6.741 13.068 -36.021 1.00 0.00 C ATOM 491 O SER A 31 7.316 12.453 -35.138 1.00 0.00 O ATOM 492 CB SER A 31 8.087 14.328 -37.719 1.00 0.00 C ATOM 493 OG SER A 31 8.516 14.356 -39.072 1.00 0.00 O ATOM 0 H SER A 31 6.098 13.757 -39.002 1.00 0.00 H new ATOM 0 HA SER A 31 7.943 12.205 -37.559 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.480 15.208 -37.505 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.951 14.369 -37.056 1.00 0.00 H new ATOM 0 HG SER A 31 7.776 14.648 -39.644 1.00 0.00 H new ATOM 499 N LEU A 32 5.583 13.693 -35.849 1.00 0.00 N ATOM 500 CA LEU A 32 4.922 13.796 -34.553 1.00 0.00 C ATOM 501 C LEU A 32 4.418 12.446 -34.074 1.00 0.00 C ATOM 502 O LEU A 32 4.545 12.113 -32.909 1.00 0.00 O ATOM 503 CB LEU A 32 3.765 14.812 -34.584 1.00 0.00 C ATOM 504 CG LEU A 32 4.092 16.281 -34.261 1.00 0.00 C ATOM 505 CD1 LEU A 32 4.577 16.400 -32.832 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.124 16.862 -35.206 1.00 0.00 C ATOM 0 H LEU A 32 5.073 14.145 -36.608 1.00 0.00 H new ATOM 0 HA LEU A 32 5.672 14.153 -33.847 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.317 14.779 -35.577 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.004 14.475 -33.880 1.00 0.00 H new ATOM 0 HG LEU A 32 3.174 16.854 -34.390 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.806 17.442 -32.611 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.800 16.048 -32.154 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.474 15.795 -32.701 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.320 17.900 -34.937 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.047 16.287 -35.134 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.748 16.817 -36.228 1.00 0.00 H new ATOM 518 N MET A 33 3.853 11.675 -34.973 1.00 0.00 N ATOM 519 CA MET A 33 3.341 10.356 -34.645 1.00 0.00 C ATOM 520 C MET A 33 4.420 9.423 -34.150 1.00 0.00 C ATOM 521 O MET A 33 4.253 8.770 -33.130 1.00 0.00 O ATOM 522 CB MET A 33 2.622 9.754 -35.823 1.00 0.00 C ATOM 523 CG MET A 33 1.429 10.564 -36.250 1.00 0.00 C ATOM 524 SD MET A 33 0.404 9.711 -37.445 1.00 0.00 S ATOM 525 CE MET A 33 1.502 9.672 -38.847 1.00 0.00 C ATOM 0 H MET A 33 3.733 11.939 -35.951 1.00 0.00 H new ATOM 0 HA MET A 33 2.632 10.488 -33.827 1.00 0.00 H new ATOM 0 HB2 MET A 33 3.315 9.666 -36.660 1.00 0.00 H new ATOM 0 HB3 MET A 33 2.299 8.744 -35.569 1.00 0.00 H new ATOM 0 HG2 MET A 33 0.830 10.810 -35.373 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.770 11.507 -36.678 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.091 10.286 -39.648 1.00 0.00 H new ATOM 0 HE2 MET A 33 2.478 10.061 -38.556 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.610 8.645 -39.196 1.00 0.00 H new ATOM 535 N TYR A 34 5.520 9.376 -34.845 1.00 0.00 N ATOM 536 CA TYR A 34 6.632 8.522 -34.432 1.00 0.00 C ATOM 537 C TYR A 34 7.405 9.155 -33.277 1.00 0.00 C ATOM 538 O TYR A 34 8.197 8.508 -32.603 1.00 0.00 O ATOM 539 CB TYR A 34 7.524 8.217 -35.611 1.00 0.00 C ATOM 540 CG TYR A 34 6.779 7.485 -36.715 1.00 0.00 C ATOM 541 CD1 TYR A 34 6.365 6.167 -36.547 1.00 0.00 C ATOM 542 CD2 TYR A 34 6.474 8.113 -37.913 1.00 0.00 C ATOM 543 CE1 TYR A 34 5.677 5.511 -37.539 1.00 0.00 C ATOM 544 CE2 TYR A 34 5.783 7.456 -38.908 1.00 0.00 C ATOM 545 CZ TYR A 34 5.389 6.152 -38.713 1.00 0.00 C ATOM 546 OH TYR A 34 4.703 5.484 -39.701 1.00 0.00 O ATOM 0 H TYR A 34 5.685 9.910 -35.698 1.00 0.00 H new ATOM 0 HA TYR A 34 6.233 7.576 -34.067 1.00 0.00 H new ATOM 0 HB2 TYR A 34 7.934 9.147 -36.005 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.368 7.612 -35.280 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.588 5.653 -35.624 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.784 9.136 -38.069 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.363 4.488 -37.392 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.552 7.961 -39.834 1.00 0.00 H new ATOM 0 HH TYR A 34 3.856 5.944 -39.880 1.00 0.00 H new ATOM 556 N ASP A 35 7.172 10.435 -33.078 1.00 0.00 N ATOM 557 CA ASP A 35 7.691 11.162 -31.911 1.00 0.00 C ATOM 558 C ASP A 35 6.867 10.747 -30.687 1.00 0.00 C ATOM 559 O ASP A 35 7.300 10.863 -29.536 1.00 0.00 O ATOM 560 CB ASP A 35 7.599 12.674 -32.150 1.00 0.00 C ATOM 561 CG ASP A 35 8.201 13.522 -31.062 1.00 0.00 C ATOM 562 OD1 ASP A 35 9.431 13.433 -30.831 1.00 0.00 O ATOM 563 OD2 ASP A 35 7.476 14.344 -30.473 1.00 0.00 O ATOM 0 H ASP A 35 6.619 11.011 -33.713 1.00 0.00 H new ATOM 0 HA ASP A 35 8.740 10.919 -31.744 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.095 12.910 -33.092 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.550 12.946 -32.265 1.00 0.00 H new ATOM 568 N MET A 36 5.677 10.263 -30.967 1.00 0.00 N ATOM 569 CA MET A 36 4.786 9.667 -29.996 1.00 0.00 C ATOM 570 C MET A 36 4.911 8.126 -30.083 1.00 0.00 C ATOM 571 O MET A 36 5.953 7.615 -30.488 1.00 0.00 O ATOM 572 CB MET A 36 3.337 10.146 -30.238 1.00 0.00 C ATOM 573 CG MET A 36 3.084 11.584 -29.790 1.00 0.00 C ATOM 574 SD MET A 36 1.401 12.159 -30.121 1.00 0.00 S ATOM 575 CE MET A 36 1.436 12.317 -31.903 1.00 0.00 C ATOM 0 H MET A 36 5.290 10.274 -31.910 1.00 0.00 H new ATOM 0 HA MET A 36 5.061 9.978 -28.988 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.108 10.060 -31.300 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.651 9.484 -29.709 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.283 11.663 -28.721 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.790 12.243 -30.295 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.526 12.813 -32.242 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.303 12.908 -32.199 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.500 11.327 -32.355 1.00 0.00 H new ATOM 585 N ASN A 37 3.884 7.393 -29.695 1.00 0.00 N ATOM 586 CA ASN A 37 3.968 5.905 -29.655 1.00 0.00 C ATOM 587 C ASN A 37 3.542 5.199 -30.938 1.00 0.00 C ATOM 588 O ASN A 37 3.532 3.956 -30.983 1.00 0.00 O ATOM 589 CB ASN A 37 3.196 5.301 -28.475 1.00 0.00 C ATOM 590 CG ASN A 37 3.947 5.278 -27.155 1.00 0.00 C ATOM 591 OD1 ASN A 37 3.785 4.353 -26.354 1.00 0.00 O ATOM 592 ND2 ASN A 37 4.708 6.296 -26.881 1.00 0.00 N ATOM 0 H ASN A 37 2.985 7.776 -29.403 1.00 0.00 H new ATOM 0 HA ASN A 37 5.036 5.725 -29.529 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.272 5.864 -28.339 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.913 4.280 -28.731 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.191 6.345 -25.984 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.822 7.045 -27.563 1.00 0.00 H new ATOM 599 N PHE A 38 3.157 5.953 -31.951 1.00 0.00 N ATOM 600 CA PHE A 38 2.723 5.368 -33.229 1.00 0.00 C ATOM 601 C PHE A 38 3.854 4.576 -33.912 1.00 0.00 C ATOM 602 O PHE A 38 5.043 4.813 -33.659 1.00 0.00 O ATOM 603 CB PHE A 38 2.194 6.446 -34.171 1.00 0.00 C ATOM 604 CG PHE A 38 1.004 7.167 -33.624 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.171 8.268 -32.807 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.277 6.737 -33.909 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.098 8.926 -32.283 1.00 0.00 C ATOM 608 CE2 PHE A 38 -1.364 7.395 -33.380 1.00 0.00 C ATOM 609 CZ PHE A 38 -1.166 8.495 -32.565 1.00 0.00 C ATOM 0 H PHE A 38 3.132 6.972 -31.925 1.00 0.00 H new ATOM 0 HA PHE A 38 1.916 4.671 -33.002 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.987 7.166 -34.372 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.929 5.989 -35.124 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.169 8.614 -32.579 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.427 5.881 -34.550 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.248 9.786 -31.647 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.365 7.055 -33.600 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.016 9.016 -32.150 1.00 0.00 H new ATOM 619 N SER A 39 3.485 3.634 -34.746 1.00 0.00 N ATOM 620 CA SER A 39 4.437 2.789 -35.437 1.00 0.00 C ATOM 621 C SER A 39 4.026 2.564 -36.895 1.00 0.00 C ATOM 622 O SER A 39 2.901 2.907 -37.291 1.00 0.00 O ATOM 623 CB SER A 39 4.515 1.461 -34.733 1.00 0.00 C ATOM 624 OG SER A 39 4.814 1.637 -33.350 1.00 0.00 O ATOM 0 H SER A 39 2.511 3.429 -34.968 1.00 0.00 H new ATOM 0 HA SER A 39 5.408 3.284 -35.429 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.568 0.931 -34.840 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.281 0.842 -35.199 1.00 0.00 H new ATOM 0 HG SER A 39 4.859 0.762 -32.911 1.00 0.00 H new ATOM 630 N SER A 40 4.926 1.962 -37.668 1.00 0.00 N ATOM 631 CA SER A 40 4.711 1.727 -39.082 1.00 0.00 C ATOM 632 C SER A 40 4.259 0.298 -39.357 1.00 0.00 C ATOM 633 O SER A 40 3.719 0.005 -40.436 1.00 0.00 O ATOM 634 CB SER A 40 6.009 1.941 -39.813 1.00 0.00 C ATOM 635 OG SER A 40 6.622 3.144 -39.416 1.00 0.00 O ATOM 0 H SER A 40 5.825 1.625 -37.325 1.00 0.00 H new ATOM 0 HA SER A 40 3.935 2.415 -39.418 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.681 1.105 -39.619 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.826 1.960 -40.887 1.00 0.00 H new ATOM 0 HG SER A 40 5.940 3.840 -39.313 1.00 0.00 H new ATOM 641 N ILE A 41 4.543 -0.583 -38.430 1.00 0.00 N ATOM 642 CA ILE A 41 4.230 -1.993 -38.543 1.00 0.00 C ATOM 643 C ILE A 41 3.511 -2.462 -37.278 1.00 0.00 C ATOM 644 O ILE A 41 3.826 -2.006 -36.165 1.00 0.00 O ATOM 645 CB ILE A 41 5.541 -2.879 -38.756 1.00 0.00 C ATOM 646 CG1 ILE A 41 6.050 -2.891 -40.206 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.394 -4.300 -38.249 1.00 0.00 C ATOM 648 CD1 ILE A 41 6.692 -1.619 -40.668 1.00 0.00 C ATOM 0 H ILE A 41 5.008 -0.338 -37.556 1.00 0.00 H new ATOM 0 HA ILE A 41 3.589 -2.119 -39.416 1.00 0.00 H new ATOM 0 HB ILE A 41 6.293 -2.379 -38.146 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.770 -3.703 -40.315 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.213 -3.117 -40.866 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.320 -4.847 -38.425 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.179 -4.285 -37.181 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.577 -4.792 -38.777 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.017 -1.730 -41.703 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.973 -0.803 -40.599 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.554 -1.397 -40.039 1.00 0.00 H new ATOM 660 N VAL A 42 2.559 -3.343 -37.457 1.00 0.00 N ATOM 661 CA VAL A 42 1.848 -3.975 -36.371 1.00 0.00 C ATOM 662 C VAL A 42 1.446 -5.376 -36.847 1.00 0.00 C ATOM 663 O VAL A 42 1.299 -5.600 -38.051 1.00 0.00 O ATOM 664 CB VAL A 42 0.590 -3.148 -35.930 1.00 0.00 C ATOM 665 CG1 VAL A 42 -0.433 -3.103 -37.028 1.00 0.00 C ATOM 666 CG2 VAL A 42 -0.028 -3.686 -34.644 1.00 0.00 C ATOM 0 H VAL A 42 2.249 -3.648 -38.380 1.00 0.00 H new ATOM 0 HA VAL A 42 2.491 -4.033 -35.492 1.00 0.00 H new ATOM 0 HB VAL A 42 0.930 -2.132 -35.728 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.296 -2.524 -36.698 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.002 -2.635 -37.911 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.749 -4.117 -37.273 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.896 -3.083 -34.377 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.338 -4.720 -34.794 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.707 -3.640 -33.840 1.00 0.00 H new ATOM 676 N ALA A 43 1.361 -6.309 -35.943 1.00 0.00 N ATOM 677 CA ALA A 43 0.964 -7.662 -36.268 1.00 0.00 C ATOM 678 C ALA A 43 -0.495 -7.719 -36.695 1.00 0.00 C ATOM 679 O ALA A 43 -1.372 -7.124 -36.058 1.00 0.00 O ATOM 680 CB ALA A 43 1.208 -8.602 -35.098 1.00 0.00 C ATOM 0 H ALA A 43 1.564 -6.159 -34.955 1.00 0.00 H new ATOM 0 HA ALA A 43 1.580 -7.990 -37.106 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.900 -9.611 -35.372 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.269 -8.602 -34.846 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.630 -8.268 -34.236 1.00 0.00 H new ATOM 686 N ASP A 44 -0.732 -8.449 -37.759 1.00 0.00 N ATOM 687 CA ASP A 44 -2.057 -8.633 -38.336 1.00 0.00 C ATOM 688 C ASP A 44 -2.783 -9.679 -37.495 1.00 0.00 C ATOM 689 O ASP A 44 -2.265 -10.133 -36.469 1.00 0.00 O ATOM 690 CB ASP A 44 -1.873 -9.194 -39.760 1.00 0.00 C ATOM 691 CG ASP A 44 -3.059 -9.014 -40.688 1.00 0.00 C ATOM 692 OD1 ASP A 44 -4.059 -9.717 -40.505 1.00 0.00 O ATOM 693 OD2 ASP A 44 -2.959 -8.215 -41.625 1.00 0.00 O ATOM 0 H ASP A 44 0.002 -8.945 -38.264 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.617 -7.698 -38.360 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.004 -8.715 -40.211 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.649 -10.258 -39.687 1.00 0.00 H new ATOM 698 N GLU A 45 -3.906 -10.137 -37.960 1.00 0.00 N ATOM 699 CA GLU A 45 -4.642 -11.168 -37.275 1.00 0.00 C ATOM 700 C GLU A 45 -3.975 -12.480 -37.620 1.00 0.00 C ATOM 701 O GLU A 45 -4.098 -13.476 -36.913 1.00 0.00 O ATOM 702 CB GLU A 45 -6.118 -11.183 -37.697 1.00 0.00 C ATOM 703 CG GLU A 45 -6.360 -11.581 -39.142 1.00 0.00 C ATOM 704 CD GLU A 45 -7.809 -11.510 -39.534 1.00 0.00 C ATOM 705 OE1 GLU A 45 -8.389 -10.402 -39.552 1.00 0.00 O ATOM 706 OE2 GLU A 45 -8.414 -12.568 -39.818 1.00 0.00 O ATOM 0 H GLU A 45 -4.341 -9.810 -38.823 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.632 -10.990 -36.200 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.660 -11.872 -37.049 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.539 -10.191 -37.532 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.780 -10.929 -39.795 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.996 -12.596 -39.300 1.00 0.00 H new ATOM 713 N TYR A 46 -3.210 -12.439 -38.710 1.00 0.00 N ATOM 714 CA TYR A 46 -2.451 -13.577 -39.168 1.00 0.00 C ATOM 715 C TYR A 46 -1.170 -13.670 -38.333 1.00 0.00 C ATOM 716 O TYR A 46 -0.469 -14.670 -38.350 1.00 0.00 O ATOM 717 CB TYR A 46 -2.062 -13.420 -40.656 1.00 0.00 C ATOM 718 CG TYR A 46 -3.182 -12.949 -41.568 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.474 -13.444 -41.452 1.00 0.00 C ATOM 720 CD2 TYR A 46 -2.944 -11.972 -42.523 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.485 -12.983 -42.263 1.00 0.00 C ATOM 722 CE2 TYR A 46 -3.955 -11.506 -43.333 1.00 0.00 C ATOM 723 CZ TYR A 46 -5.224 -12.017 -43.197 1.00 0.00 C ATOM 724 OH TYR A 46 -6.239 -11.552 -43.992 1.00 0.00 O ATOM 0 H TYR A 46 -3.106 -11.609 -39.294 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.059 -14.475 -39.060 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.235 -12.713 -40.727 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.694 -14.378 -41.023 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.689 -14.203 -40.714 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -1.948 -11.570 -42.633 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.483 -13.383 -42.163 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.752 -10.744 -44.071 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.890 -10.868 -44.601 1.00 0.00 H new ATOM 734 N GLY A 47 -0.878 -12.597 -37.606 1.00 0.00 N ATOM 735 CA GLY A 47 0.327 -12.531 -36.803 1.00 0.00 C ATOM 736 C GLY A 47 1.495 -11.983 -37.586 1.00 0.00 C ATOM 737 O GLY A 47 2.617 -11.912 -37.089 1.00 0.00 O ATOM 0 H GLY A 47 -1.463 -11.763 -37.559 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.148 -11.903 -35.930 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.572 -13.527 -36.434 1.00 0.00 H new ATOM 741 N ILE A 48 1.225 -11.567 -38.795 1.00 0.00 N ATOM 742 CA ILE A 48 2.245 -11.066 -39.689 1.00 0.00 C ATOM 743 C ILE A 48 2.407 -9.578 -39.479 1.00 0.00 C ATOM 744 O ILE A 48 1.416 -8.870 -39.387 1.00 0.00 O ATOM 745 CB ILE A 48 1.936 -11.423 -41.202 1.00 0.00 C ATOM 746 CG1 ILE A 48 2.425 -12.843 -41.552 1.00 0.00 C ATOM 747 CG2 ILE A 48 2.528 -10.415 -42.182 1.00 0.00 C ATOM 748 CD1 ILE A 48 1.791 -13.950 -40.752 1.00 0.00 C ATOM 0 H ILE A 48 0.286 -11.565 -39.193 1.00 0.00 H new ATOM 0 HA ILE A 48 3.189 -11.557 -39.454 1.00 0.00 H new ATOM 0 HB ILE A 48 0.852 -11.381 -41.305 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.236 -13.026 -42.610 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.505 -12.885 -41.409 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.284 -10.712 -43.202 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.113 -9.427 -41.983 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.611 -10.384 -42.063 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.199 -14.909 -41.071 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.001 -13.800 -39.693 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.713 -13.943 -40.912 1.00 0.00 H new ATOM 760 N PRO A 49 3.641 -9.102 -39.323 1.00 0.00 N ATOM 761 CA PRO A 49 3.916 -7.683 -39.141 1.00 0.00 C ATOM 762 C PRO A 49 3.593 -6.895 -40.420 1.00 0.00 C ATOM 763 O PRO A 49 4.353 -6.895 -41.388 1.00 0.00 O ATOM 764 CB PRO A 49 5.416 -7.640 -38.823 1.00 0.00 C ATOM 765 CG PRO A 49 5.971 -8.899 -39.395 1.00 0.00 C ATOM 766 CD PRO A 49 4.875 -9.914 -39.318 1.00 0.00 C ATOM 0 HA PRO A 49 3.310 -7.230 -38.356 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.888 -6.764 -39.267 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.590 -7.585 -37.748 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.291 -8.750 -40.426 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.846 -9.228 -38.834 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.905 -10.600 -40.164 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.952 -10.518 -38.414 1.00 0.00 H new ATOM 774 N ARG A 50 2.447 -6.289 -40.415 1.00 0.00 N ATOM 775 CA ARG A 50 1.922 -5.567 -41.521 1.00 0.00 C ATOM 776 C ARG A 50 2.282 -4.101 -41.472 1.00 0.00 C ATOM 777 O ARG A 50 2.313 -3.487 -40.397 1.00 0.00 O ATOM 778 CB ARG A 50 0.419 -5.756 -41.529 1.00 0.00 C ATOM 779 CG ARG A 50 0.002 -7.117 -42.040 1.00 0.00 C ATOM 780 CD ARG A 50 0.127 -7.135 -43.531 1.00 0.00 C ATOM 781 NE ARG A 50 -0.140 -8.440 -44.172 1.00 0.00 N ATOM 782 CZ ARG A 50 -1.308 -8.812 -44.748 1.00 0.00 C ATOM 783 NH1 ARG A 50 -2.484 -8.454 -44.225 1.00 0.00 N ATOM 784 NH2 ARG A 50 -1.283 -9.701 -45.724 1.00 0.00 N ATOM 0 H ARG A 50 1.829 -6.287 -39.603 1.00 0.00 H new ATOM 0 HA ARG A 50 2.361 -5.953 -42.441 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.035 -5.619 -40.518 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.036 -4.985 -42.150 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.629 -7.893 -41.600 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.025 -7.332 -41.745 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.561 -6.398 -43.946 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.135 -6.817 -43.798 1.00 0.00 H new ATOM 0 HE ARG A 50 0.621 -9.119 -44.181 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.514 -7.890 -43.376 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.352 -8.745 -44.675 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.394 -10.095 -46.032 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.153 -9.993 -46.170 1.00 0.00 H new ATOM 798 N GLN A 51 2.586 -3.564 -42.632 1.00 0.00 N ATOM 799 CA GLN A 51 2.866 -2.156 -42.799 1.00 0.00 C ATOM 800 C GLN A 51 1.588 -1.392 -42.789 1.00 0.00 C ATOM 801 O GLN A 51 0.544 -1.872 -43.222 1.00 0.00 O ATOM 802 CB GLN A 51 3.563 -1.861 -44.112 1.00 0.00 C ATOM 803 CG GLN A 51 5.065 -1.988 -44.113 1.00 0.00 C ATOM 804 CD GLN A 51 5.773 -0.656 -43.910 1.00 0.00 C ATOM 805 OE1 GLN A 51 6.829 -0.417 -44.483 1.00 0.00 O ATOM 806 NE2 GLN A 51 5.285 0.156 -43.013 1.00 0.00 N ATOM 0 H GLN A 51 2.646 -4.100 -43.498 1.00 0.00 H new ATOM 0 HA GLN A 51 3.520 -1.862 -41.978 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.162 -2.533 -44.871 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.305 -0.847 -44.416 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.367 -2.678 -43.325 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.387 -2.424 -45.059 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.404 -0.066 -42.550 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.785 1.013 -42.775 1.00 0.00 H new ATOM 815 N LEU A 52 1.683 -0.222 -42.308 1.00 0.00 N ATOM 816 CA LEU A 52 0.547 0.640 -42.166 1.00 0.00 C ATOM 817 C LEU A 52 0.636 1.815 -43.104 1.00 0.00 C ATOM 818 O LEU A 52 -0.375 2.333 -43.545 1.00 0.00 O ATOM 819 CB LEU A 52 0.547 1.109 -40.732 1.00 0.00 C ATOM 820 CG LEU A 52 0.595 -0.040 -39.739 1.00 0.00 C ATOM 821 CD1 LEU A 52 0.858 0.449 -38.363 1.00 0.00 C ATOM 822 CD2 LEU A 52 -0.690 -0.838 -39.808 1.00 0.00 C ATOM 0 H LEU A 52 2.561 0.189 -41.990 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.373 0.111 -42.413 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.404 1.762 -40.568 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.347 1.705 -40.549 1.00 0.00 H new ATOM 0 HG LEU A 52 1.422 -0.697 -40.007 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.886 -0.396 -37.676 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.816 0.969 -38.338 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.065 1.134 -38.063 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.647 -1.660 -39.093 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.533 -0.191 -39.567 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.816 -1.239 -40.814 1.00 0.00 H new ATOM 834 N ASN A 53 1.870 2.134 -43.507 1.00 0.00 N ATOM 835 CA ASN A 53 2.264 3.397 -44.256 1.00 0.00 C ATOM 836 C ASN A 53 1.657 3.530 -45.641 1.00 0.00 C ATOM 837 O ASN A 53 2.077 4.350 -46.456 1.00 0.00 O ATOM 838 CB ASN A 53 3.787 3.518 -44.333 1.00 0.00 C ATOM 839 CG ASN A 53 4.452 3.380 -42.983 1.00 0.00 C ATOM 840 OD1 ASN A 53 5.606 2.967 -42.888 1.00 0.00 O ATOM 841 ND2 ASN A 53 3.716 3.632 -41.932 1.00 0.00 N ATOM 0 H ASN A 53 2.667 1.523 -43.331 1.00 0.00 H new ATOM 0 HA ASN A 53 1.847 4.219 -43.674 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.175 2.752 -45.004 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.049 4.483 -44.766 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.096 3.487 -40.997 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.762 3.974 -42.048 1.00 0.00 H new ATOM 848 N GLU A 54 0.663 2.781 -45.854 1.00 0.00 N ATOM 849 CA GLU A 54 -0.116 2.797 -47.037 1.00 0.00 C ATOM 850 C GLU A 54 -1.128 3.938 -46.928 1.00 0.00 C ATOM 851 O GLU A 54 -1.494 4.553 -47.939 1.00 0.00 O ATOM 852 CB GLU A 54 -0.823 1.464 -47.166 1.00 0.00 C ATOM 853 CG GLU A 54 0.157 0.317 -47.189 1.00 0.00 C ATOM 854 CD GLU A 54 1.001 0.276 -48.443 1.00 0.00 C ATOM 855 OE1 GLU A 54 2.078 0.908 -48.470 1.00 0.00 O ATOM 856 OE2 GLU A 54 0.613 -0.392 -49.424 1.00 0.00 O ATOM 0 H GLU A 54 0.341 2.093 -45.173 1.00 0.00 H new ATOM 0 HA GLU A 54 0.505 2.953 -47.919 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.515 1.336 -46.333 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.418 1.454 -48.079 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.812 0.390 -46.321 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.390 -0.621 -47.097 1.00 0.00 H new ATOM 863 N ASN A 55 -1.535 4.229 -45.666 1.00 0.00 N ATOM 864 CA ASN A 55 -2.497 5.315 -45.329 1.00 0.00 C ATOM 865 C ASN A 55 -2.736 5.363 -43.803 1.00 0.00 C ATOM 866 O ASN A 55 -2.981 6.426 -43.221 1.00 0.00 O ATOM 867 CB ASN A 55 -3.861 5.130 -46.073 1.00 0.00 C ATOM 868 CG ASN A 55 -5.015 4.555 -45.221 1.00 0.00 C ATOM 869 OD1 ASN A 55 -5.790 5.297 -44.619 1.00 0.00 O ATOM 870 ND2 ASN A 55 -5.135 3.252 -45.166 1.00 0.00 N ATOM 0 H ASN A 55 -1.205 3.716 -44.849 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.058 6.257 -45.659 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.172 6.097 -46.469 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.702 4.472 -46.927 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.884 2.832 -44.615 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.480 2.658 -45.674 1.00 0.00 H new ATOM 877 N SER A 56 -2.647 4.216 -43.183 1.00 0.00 N ATOM 878 CA SER A 56 -2.916 4.031 -41.791 1.00 0.00 C ATOM 879 C SER A 56 -1.648 3.957 -40.954 1.00 0.00 C ATOM 880 O SER A 56 -0.547 3.983 -41.480 1.00 0.00 O ATOM 881 CB SER A 56 -3.712 2.751 -41.708 1.00 0.00 C ATOM 882 OG SER A 56 -3.231 1.858 -42.716 1.00 0.00 O ATOM 0 H SER A 56 -2.374 3.355 -43.657 1.00 0.00 H new ATOM 0 HA SER A 56 -3.464 4.881 -41.383 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.607 2.301 -40.721 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.773 2.953 -41.855 1.00 0.00 H new ATOM 0 HG SER A 56 -3.642 0.977 -42.595 1.00 0.00 H new ATOM 888 N PHE A 57 -1.818 3.942 -39.643 1.00 0.00 N ATOM 889 CA PHE A 57 -0.731 3.810 -38.691 1.00 0.00 C ATOM 890 C PHE A 57 -1.299 3.139 -37.448 1.00 0.00 C ATOM 891 O PHE A 57 -2.514 3.049 -37.315 1.00 0.00 O ATOM 892 CB PHE A 57 -0.131 5.178 -38.311 1.00 0.00 C ATOM 893 CG PHE A 57 0.310 6.021 -39.483 1.00 0.00 C ATOM 894 CD1 PHE A 57 1.571 5.867 -40.027 1.00 0.00 C ATOM 895 CD2 PHE A 57 -0.558 6.936 -40.063 1.00 0.00 C ATOM 896 CE1 PHE A 57 1.960 6.604 -41.129 1.00 0.00 C ATOM 897 CE2 PHE A 57 -0.174 7.681 -41.161 1.00 0.00 C ATOM 898 CZ PHE A 57 1.088 7.512 -41.696 1.00 0.00 C ATOM 0 H PHE A 57 -2.735 4.023 -39.203 1.00 0.00 H new ATOM 0 HA PHE A 57 0.071 3.221 -39.136 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.870 5.737 -37.737 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.725 5.015 -37.656 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.260 5.162 -39.586 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.547 7.067 -39.650 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.947 6.470 -41.547 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.858 8.393 -41.599 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.392 8.089 -42.557 1.00 0.00 H new ATOM 908 N ALA A 58 -0.455 2.677 -36.554 1.00 0.00 N ATOM 909 CA ALA A 58 -0.914 1.997 -35.345 1.00 0.00 C ATOM 910 C ALA A 58 -0.210 2.539 -34.150 1.00 0.00 C ATOM 911 O ALA A 58 0.828 3.172 -34.282 1.00 0.00 O ATOM 912 CB ALA A 58 -0.711 0.483 -35.422 1.00 0.00 C ATOM 0 H ALA A 58 0.559 2.756 -36.634 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.984 2.184 -35.257 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.067 0.021 -34.501 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.270 0.083 -36.268 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.349 0.264 -35.552 1.00 0.00 H new ATOM 918 N ILE A 59 -0.757 2.293 -32.998 1.00 0.00 N ATOM 919 CA ILE A 59 -0.183 2.749 -31.776 1.00 0.00 C ATOM 920 C ILE A 59 -0.502 1.777 -30.649 1.00 0.00 C ATOM 921 O ILE A 59 -1.521 1.063 -30.692 1.00 0.00 O ATOM 922 CB ILE A 59 -0.686 4.182 -31.421 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.061 4.706 -30.194 1.00 0.00 C ATOM 924 CG2 ILE A 59 -2.207 4.190 -31.167 1.00 0.00 C ATOM 925 CD1 ILE A 59 -0.041 6.178 -30.006 1.00 0.00 C ATOM 0 H ILE A 59 -1.622 1.765 -32.883 1.00 0.00 H new ATOM 0 HA ILE A 59 0.898 2.795 -31.904 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.485 4.837 -32.269 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.328 4.209 -29.305 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.113 4.433 -30.278 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.530 5.202 -30.922 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.727 3.850 -32.063 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.441 3.523 -30.337 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.515 6.470 -29.115 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.375 6.686 -30.876 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.088 6.458 -29.889 1.00 0.00 H new ATOM 937 N THR A 60 0.370 1.712 -29.693 1.00 0.00 N ATOM 938 CA THR A 60 0.170 0.957 -28.545 1.00 0.00 C ATOM 939 C THR A 60 -0.034 1.952 -27.394 1.00 0.00 C ATOM 940 O THR A 60 0.873 2.688 -26.971 1.00 0.00 O ATOM 941 CB THR A 60 1.331 -0.058 -28.311 1.00 0.00 C ATOM 942 OG1 THR A 60 1.040 -0.898 -27.206 1.00 0.00 O ATOM 943 CG2 THR A 60 2.677 0.619 -28.090 1.00 0.00 C ATOM 0 H THR A 60 1.262 2.207 -29.712 1.00 0.00 H new ATOM 0 HA THR A 60 -0.713 0.324 -28.630 1.00 0.00 H new ATOM 0 HB THR A 60 1.408 -0.650 -29.223 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.070 -1.018 -27.133 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.444 -0.139 -27.933 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.932 1.217 -28.965 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.620 1.264 -27.214 1.00 0.00 H new ATOM 951 N THR A 61 -1.248 2.074 -27.011 1.00 0.00 N ATOM 952 CA THR A 61 -1.637 2.989 -26.001 1.00 0.00 C ATOM 953 C THR A 61 -2.838 2.405 -25.271 1.00 0.00 C ATOM 954 O THR A 61 -3.404 1.426 -25.715 1.00 0.00 O ATOM 955 CB THR A 61 -1.977 4.373 -26.627 1.00 0.00 C ATOM 956 OG1 THR A 61 -2.110 5.357 -25.593 1.00 0.00 O ATOM 957 CG2 THR A 61 -3.277 4.301 -27.437 1.00 0.00 C ATOM 0 H THR A 61 -2.019 1.529 -27.398 1.00 0.00 H new ATOM 0 HA THR A 61 -0.822 3.145 -25.295 1.00 0.00 H new ATOM 0 HB THR A 61 -1.164 4.654 -27.297 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.847 6.235 -25.941 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.494 5.280 -27.865 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.166 3.571 -28.239 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.096 4.001 -26.784 1.00 0.00 H new ATOM 965 N SER A 62 -3.212 2.969 -24.166 1.00 0.00 N ATOM 966 CA SER A 62 -4.332 2.449 -23.439 1.00 0.00 C ATOM 967 C SER A 62 -5.407 3.523 -23.263 1.00 0.00 C ATOM 968 O SER A 62 -6.370 3.346 -22.502 1.00 0.00 O ATOM 969 CB SER A 62 -3.855 1.836 -22.107 1.00 0.00 C ATOM 970 OG SER A 62 -4.919 1.320 -21.329 1.00 0.00 O ATOM 0 H SER A 62 -2.764 3.784 -23.748 1.00 0.00 H new ATOM 0 HA SER A 62 -4.800 1.645 -24.007 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.142 1.038 -22.314 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.325 2.595 -21.532 1.00 0.00 H new ATOM 0 HG SER A 62 -5.724 1.859 -21.477 1.00 0.00 H new ATOM 976 N LEU A 63 -5.247 4.625 -23.971 1.00 0.00 N ATOM 977 CA LEU A 63 -6.230 5.683 -23.970 1.00 0.00 C ATOM 978 C LEU A 63 -7.336 5.387 -24.954 1.00 0.00 C ATOM 979 O LEU A 63 -7.337 4.332 -25.601 1.00 0.00 O ATOM 980 CB LEU A 63 -5.586 7.081 -24.156 1.00 0.00 C ATOM 981 CG LEU A 63 -4.584 7.263 -25.286 1.00 0.00 C ATOM 982 CD1 LEU A 63 -5.240 7.455 -26.601 1.00 0.00 C ATOM 983 CD2 LEU A 63 -3.586 8.364 -24.984 1.00 0.00 C ATOM 0 H LEU A 63 -4.434 4.808 -24.560 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.694 5.717 -22.984 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.390 7.802 -24.304 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.088 7.346 -23.223 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.023 6.331 -25.355 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.480 7.580 -27.372 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.852 6.583 -26.833 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.871 8.343 -26.567 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.889 8.461 -25.816 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.115 9.306 -24.842 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.035 8.117 -24.076 1.00 0.00 H new ATOM 995 N ALA A 64 -8.248 6.292 -25.095 1.00 0.00 N ATOM 996 CA ALA A 64 -9.416 6.012 -25.886 1.00 0.00 C ATOM 997 C ALA A 64 -9.275 6.555 -27.282 1.00 0.00 C ATOM 998 O ALA A 64 -8.410 7.383 -27.534 1.00 0.00 O ATOM 999 CB ALA A 64 -10.667 6.534 -25.215 1.00 0.00 C ATOM 0 H ALA A 64 -8.215 7.224 -24.681 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.511 4.929 -25.965 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.534 6.308 -25.836 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.784 6.058 -24.242 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.586 7.613 -25.084 1.00 0.00 H new ATOM 1005 N ALA A 65 -10.153 6.119 -28.174 1.00 0.00 N ATOM 1006 CA ALA A 65 -10.119 6.519 -29.572 1.00 0.00 C ATOM 1007 C ALA A 65 -10.203 8.028 -29.727 1.00 0.00 C ATOM 1008 O ALA A 65 -9.406 8.634 -30.449 1.00 0.00 O ATOM 1009 CB ALA A 65 -11.217 5.820 -30.357 1.00 0.00 C ATOM 0 H ALA A 65 -10.911 5.476 -27.947 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.158 6.209 -29.983 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.174 6.133 -31.400 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.077 4.741 -30.296 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.188 6.084 -29.939 1.00 0.00 H new ATOM 1015 N SER A 66 -11.112 8.631 -28.988 1.00 0.00 N ATOM 1016 CA SER A 66 -11.295 10.072 -29.014 1.00 0.00 C ATOM 1017 C SER A 66 -10.048 10.787 -28.460 1.00 0.00 C ATOM 1018 O SER A 66 -9.737 11.928 -28.842 1.00 0.00 O ATOM 1019 CB SER A 66 -12.509 10.417 -28.170 1.00 0.00 C ATOM 1020 OG SER A 66 -13.604 9.581 -28.517 1.00 0.00 O ATOM 0 H SER A 66 -11.743 8.141 -28.354 1.00 0.00 H new ATOM 0 HA SER A 66 -11.445 10.403 -30.042 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.272 10.297 -27.113 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.779 11.462 -28.319 1.00 0.00 H new ATOM 0 HG SER A 66 -14.380 9.812 -27.965 1.00 0.00 H new ATOM 1026 N GLU A 67 -9.293 10.078 -27.631 1.00 0.00 N ATOM 1027 CA GLU A 67 -8.145 10.646 -26.988 1.00 0.00 C ATOM 1028 C GLU A 67 -7.005 10.645 -27.951 1.00 0.00 C ATOM 1029 O GLU A 67 -6.284 11.621 -28.039 1.00 0.00 O ATOM 1030 CB GLU A 67 -7.779 9.883 -25.714 1.00 0.00 C ATOM 1031 CG GLU A 67 -8.843 9.932 -24.632 1.00 0.00 C ATOM 1032 CD GLU A 67 -9.099 11.334 -24.134 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -8.349 11.802 -23.249 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -10.052 11.978 -24.602 1.00 0.00 O ATOM 0 H GLU A 67 -9.468 9.101 -27.395 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.376 11.669 -26.690 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.585 8.841 -25.971 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.851 10.291 -25.314 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.771 9.513 -25.021 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.535 9.304 -23.796 1.00 0.00 H new ATOM 1041 N ILE A 68 -6.858 9.536 -28.702 1.00 0.00 N ATOM 1042 CA ILE A 68 -5.810 9.441 -29.717 1.00 0.00 C ATOM 1043 C ILE A 68 -5.979 10.560 -30.716 1.00 0.00 C ATOM 1044 O ILE A 68 -5.010 11.203 -31.095 1.00 0.00 O ATOM 1045 CB ILE A 68 -5.806 8.122 -30.523 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -6.323 6.954 -29.702 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -4.400 7.847 -31.023 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -6.024 5.588 -30.240 1.00 0.00 C ATOM 0 H ILE A 68 -7.447 8.707 -28.621 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.873 9.494 -29.162 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.481 8.234 -31.371 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.903 7.027 -28.699 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.404 7.055 -29.604 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.392 6.918 -31.592 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.074 8.667 -31.663 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.723 7.758 -30.174 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.441 4.834 -29.572 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.468 5.481 -31.230 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.945 5.453 -30.311 1.00 0.00 H new ATOM 1060 N GLU A 69 -7.226 10.791 -31.127 1.00 0.00 N ATOM 1061 CA GLU A 69 -7.530 11.856 -32.059 1.00 0.00 C ATOM 1062 C GLU A 69 -7.030 13.179 -31.570 1.00 0.00 C ATOM 1063 O GLU A 69 -6.225 13.815 -32.234 1.00 0.00 O ATOM 1064 CB GLU A 69 -9.018 11.961 -32.372 1.00 0.00 C ATOM 1065 CG GLU A 69 -9.540 10.872 -33.259 1.00 0.00 C ATOM 1066 CD GLU A 69 -11.005 11.020 -33.553 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -11.392 11.998 -34.217 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -11.801 10.139 -33.163 1.00 0.00 O ATOM 0 H GLU A 69 -8.036 10.250 -30.824 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.010 11.594 -32.980 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.576 11.950 -31.436 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.211 12.923 -32.846 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.983 10.873 -34.196 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.364 9.906 -32.785 1.00 0.00 H new ATOM 1075 N ASP A 70 -7.454 13.565 -30.388 1.00 0.00 N ATOM 1076 CA ASP A 70 -7.106 14.875 -29.867 1.00 0.00 C ATOM 1077 C ASP A 70 -5.621 14.974 -29.598 1.00 0.00 C ATOM 1078 O ASP A 70 -5.028 16.020 -29.800 1.00 0.00 O ATOM 1079 CB ASP A 70 -7.922 15.229 -28.630 1.00 0.00 C ATOM 1080 CG ASP A 70 -7.842 16.700 -28.304 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -8.242 17.524 -29.169 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -7.461 17.066 -27.173 1.00 0.00 O ATOM 0 H ASP A 70 -8.036 12.999 -29.771 1.00 0.00 H new ATOM 0 HA ASP A 70 -7.357 15.609 -30.633 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.963 14.949 -28.790 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.563 14.649 -27.780 1.00 0.00 H new ATOM 1087 N LEU A 71 -5.030 13.846 -29.223 1.00 0.00 N ATOM 1088 CA LEU A 71 -3.602 13.718 -28.973 1.00 0.00 C ATOM 1089 C LEU A 71 -2.839 14.143 -30.238 1.00 0.00 C ATOM 1090 O LEU A 71 -1.949 14.980 -30.194 1.00 0.00 O ATOM 1091 CB LEU A 71 -3.302 12.250 -28.665 1.00 0.00 C ATOM 1092 CG LEU A 71 -2.076 11.949 -27.830 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -2.281 12.444 -26.399 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -1.787 10.456 -27.843 1.00 0.00 C ATOM 0 H LEU A 71 -5.543 12.976 -29.081 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.297 14.346 -28.136 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.168 11.829 -28.155 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.202 11.721 -29.613 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.219 12.470 -28.257 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.393 12.223 -25.807 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.452 13.520 -26.407 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.144 11.943 -25.961 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.903 10.251 -27.239 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.640 9.917 -27.432 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.610 10.129 -28.868 1.00 0.00 H new ATOM 1106 N ILE A 72 -3.258 13.598 -31.368 1.00 0.00 N ATOM 1107 CA ILE A 72 -2.673 13.908 -32.664 1.00 0.00 C ATOM 1108 C ILE A 72 -2.975 15.356 -33.060 1.00 0.00 C ATOM 1109 O ILE A 72 -2.083 16.099 -33.473 1.00 0.00 O ATOM 1110 CB ILE A 72 -3.256 12.959 -33.732 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -2.855 11.525 -33.418 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -2.785 13.351 -35.131 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -3.769 10.504 -34.016 1.00 0.00 C ATOM 0 H ILE A 72 -4.020 12.922 -31.413 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.593 13.778 -32.597 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.343 13.040 -33.712 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.842 11.352 -33.782 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.832 11.391 -32.336 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.211 12.666 -35.864 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.110 14.367 -35.353 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.697 13.300 -35.176 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.422 9.505 -33.751 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.779 10.651 -33.633 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.773 10.611 -35.101 1.00 0.00 H new ATOM 1125 N ARG A 73 -4.223 15.756 -32.892 1.00 0.00 N ATOM 1126 CA ARG A 73 -4.674 17.081 -33.302 1.00 0.00 C ATOM 1127 C ARG A 73 -3.978 18.200 -32.516 1.00 0.00 C ATOM 1128 O ARG A 73 -3.789 19.300 -33.040 1.00 0.00 O ATOM 1129 CB ARG A 73 -6.190 17.217 -33.176 1.00 0.00 C ATOM 1130 CG ARG A 73 -6.984 16.119 -33.864 1.00 0.00 C ATOM 1131 CD ARG A 73 -8.475 16.370 -33.773 1.00 0.00 C ATOM 1132 NE ARG A 73 -8.907 16.648 -32.393 1.00 0.00 N ATOM 1133 CZ ARG A 73 -10.177 16.716 -31.987 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -11.173 16.449 -32.836 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -10.440 17.044 -30.733 1.00 0.00 N ATOM 0 H ARG A 73 -4.951 15.179 -32.471 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.399 17.189 -34.351 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.454 17.229 -32.118 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.491 18.179 -33.591 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.688 16.056 -34.911 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.748 15.158 -33.408 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.740 17.212 -34.412 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.012 15.501 -34.152 1.00 0.00 H new ATOM 0 HE ARG A 73 -8.180 16.800 -31.694 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.965 16.191 -33.801 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.141 16.503 -32.519 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.676 17.242 -30.087 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.407 17.099 -30.412 1.00 0.00 H new ATOM 1149 N LEU A 74 -3.570 17.931 -31.279 1.00 0.00 N ATOM 1150 CA LEU A 74 -2.896 18.950 -30.505 1.00 0.00 C ATOM 1151 C LEU A 74 -1.394 18.942 -30.802 1.00 0.00 C ATOM 1152 O LEU A 74 -0.677 19.875 -30.474 1.00 0.00 O ATOM 1153 CB LEU A 74 -3.249 18.867 -28.990 1.00 0.00 C ATOM 1154 CG LEU A 74 -2.798 17.636 -28.194 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -1.374 17.797 -27.701 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -3.745 17.371 -27.036 1.00 0.00 C ATOM 0 H LEU A 74 -3.693 17.036 -30.806 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.265 19.927 -30.817 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.828 19.747 -28.504 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.333 18.940 -28.899 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.824 16.774 -28.861 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.081 16.910 -27.140 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.706 17.925 -28.553 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.309 18.672 -27.055 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.408 16.494 -26.484 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.758 18.235 -26.372 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.749 17.194 -27.421 1.00 0.00 H new ATOM 1168 N LYS A 75 -0.937 17.890 -31.475 1.00 0.00 N ATOM 1169 CA LYS A 75 0.440 17.813 -31.947 1.00 0.00 C ATOM 1170 C LYS A 75 0.513 18.466 -33.311 1.00 0.00 C ATOM 1171 O LYS A 75 1.572 18.762 -33.828 1.00 0.00 O ATOM 1172 CB LYS A 75 0.940 16.359 -32.032 1.00 0.00 C ATOM 1173 CG LYS A 75 1.695 15.841 -30.803 1.00 0.00 C ATOM 1174 CD LYS A 75 0.893 15.947 -29.537 1.00 0.00 C ATOM 1175 CE LYS A 75 1.604 15.313 -28.359 1.00 0.00 C ATOM 1176 NZ LYS A 75 2.932 15.918 -28.106 1.00 0.00 N ATOM 0 H LYS A 75 -1.505 17.075 -31.706 1.00 0.00 H new ATOM 0 HA LYS A 75 1.083 18.331 -31.236 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.083 15.710 -32.209 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.592 16.269 -32.900 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.972 14.799 -30.965 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.622 16.403 -30.688 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.696 16.997 -29.319 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.074 15.464 -29.679 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.986 15.416 -27.467 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.724 14.245 -28.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.311 15.560 -27.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.581 15.667 -28.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.838 16.952 -28.055 1.00 0.00 H new ATOM 1190 N CYS A 76 -0.650 18.719 -33.869 1.00 0.00 N ATOM 1191 CA CYS A 76 -0.775 19.368 -35.148 1.00 0.00 C ATOM 1192 C CYS A 76 -0.578 20.875 -34.968 1.00 0.00 C ATOM 1193 O CYS A 76 -0.456 21.623 -35.925 1.00 0.00 O ATOM 1194 CB CYS A 76 -2.140 19.039 -35.754 1.00 0.00 C ATOM 1195 SG CYS A 76 -2.415 19.599 -37.447 1.00 0.00 S ATOM 0 H CYS A 76 -1.543 18.476 -33.440 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.010 19.008 -35.837 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.277 17.958 -35.724 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.911 19.475 -35.119 1.00 0.00 H new ATOM 0 HG CYS A 76 -3.668 19.443 -37.758 1.00 0.00 H new ATOM 1201 N LEU A 77 -0.524 21.305 -33.716 1.00 0.00 N ATOM 1202 CA LEU A 77 -0.251 22.690 -33.385 1.00 0.00 C ATOM 1203 C LEU A 77 1.236 22.967 -33.572 1.00 0.00 C ATOM 1204 O LEU A 77 1.660 24.110 -33.666 1.00 0.00 O ATOM 1205 CB LEU A 77 -0.648 22.978 -31.935 1.00 0.00 C ATOM 1206 CG LEU A 77 -2.099 22.674 -31.553 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -2.346 23.006 -30.094 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -3.069 23.422 -32.453 1.00 0.00 C ATOM 0 H LEU A 77 -0.668 20.703 -32.905 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.833 23.335 -34.043 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.006 22.401 -31.281 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.454 24.031 -31.731 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.271 21.607 -31.694 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.383 22.783 -29.841 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.683 22.409 -29.468 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.150 24.065 -29.924 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.092 23.188 -32.159 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.901 24.495 -32.357 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.911 23.121 -33.489 1.00 0.00 H new ATOM 1220 N ASP A 78 2.015 21.892 -33.618 1.00 0.00 N ATOM 1221 CA ASP A 78 3.466 21.960 -33.803 1.00 0.00 C ATOM 1222 C ASP A 78 3.748 22.359 -35.218 1.00 0.00 C ATOM 1223 O ASP A 78 4.582 23.225 -35.501 1.00 0.00 O ATOM 1224 CB ASP A 78 4.067 20.581 -33.567 1.00 0.00 C ATOM 1225 CG ASP A 78 5.582 20.574 -33.488 1.00 0.00 C ATOM 1226 OD1 ASP A 78 6.130 20.815 -32.379 1.00 0.00 O ATOM 1227 OD2 ASP A 78 6.256 20.295 -34.509 1.00 0.00 O ATOM 0 H ASP A 78 1.658 20.941 -33.528 1.00 0.00 H new ATOM 0 HA ASP A 78 3.894 22.680 -33.106 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.663 20.174 -32.640 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.752 19.916 -34.371 1.00 0.00 H new ATOM 1232 N LEU A 79 3.018 21.736 -36.097 1.00 0.00 N ATOM 1233 CA LEU A 79 3.150 21.962 -37.514 1.00 0.00 C ATOM 1234 C LEU A 79 2.266 23.176 -37.952 1.00 0.00 C ATOM 1235 O LEU A 79 1.567 23.753 -37.108 1.00 0.00 O ATOM 1236 CB LEU A 79 2.782 20.642 -38.216 1.00 0.00 C ATOM 1237 CG LEU A 79 1.345 20.163 -38.080 1.00 0.00 C ATOM 1238 CD1 LEU A 79 0.469 20.694 -39.194 1.00 0.00 C ATOM 1239 CD2 LEU A 79 1.290 18.672 -38.013 1.00 0.00 C ATOM 0 H LEU A 79 2.306 21.049 -35.851 1.00 0.00 H new ATOM 0 HA LEU A 79 4.168 22.233 -37.795 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.004 20.750 -39.278 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.437 19.860 -37.832 1.00 0.00 H new ATOM 0 HG LEU A 79 0.951 20.561 -37.145 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.550 20.329 -39.061 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.470 21.784 -39.170 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.854 20.352 -40.154 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.253 18.350 -37.916 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.717 18.251 -38.923 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.860 18.325 -37.151 1.00 0.00 H new ATOM 1251 N PRO A 80 2.308 23.611 -39.258 1.00 0.00 N ATOM 1252 CA PRO A 80 1.487 24.733 -39.741 1.00 0.00 C ATOM 1253 C PRO A 80 -0.022 24.497 -39.562 1.00 0.00 C ATOM 1254 O PRO A 80 -0.647 25.100 -38.681 1.00 0.00 O ATOM 1255 CB PRO A 80 1.828 24.848 -41.234 1.00 0.00 C ATOM 1256 CG PRO A 80 3.074 24.072 -41.429 1.00 0.00 C ATOM 1257 CD PRO A 80 3.180 23.079 -40.319 1.00 0.00 C ATOM 0 HA PRO A 80 1.704 25.638 -39.173 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.021 24.452 -41.850 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.968 25.890 -41.523 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.059 23.565 -42.394 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.939 24.735 -41.431 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.855 22.090 -40.640 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.209 22.980 -39.973 1.00 0.00 H new ATOM 1265 N ASP A 81 -0.584 23.602 -40.378 1.00 0.00 N ATOM 1266 CA ASP A 81 -2.023 23.269 -40.368 1.00 0.00 C ATOM 1267 C ASP A 81 -2.313 22.280 -41.472 1.00 0.00 C ATOM 1268 O ASP A 81 -1.718 22.359 -42.555 1.00 0.00 O ATOM 1269 CB ASP A 81 -2.905 24.525 -40.576 1.00 0.00 C ATOM 1270 CG ASP A 81 -4.400 24.224 -40.703 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -5.083 24.023 -39.675 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -4.923 24.224 -41.838 1.00 0.00 O ATOM 0 H ASP A 81 -0.053 23.079 -41.074 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.261 22.843 -39.393 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.752 25.206 -39.739 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.572 25.045 -41.474 1.00 0.00 H new ATOM 1277 N ILE A 82 -3.172 21.345 -41.193 1.00 0.00 N ATOM 1278 CA ILE A 82 -3.618 20.372 -42.142 1.00 0.00 C ATOM 1279 C ILE A 82 -4.986 19.903 -41.742 1.00 0.00 C ATOM 1280 O ILE A 82 -5.184 19.387 -40.639 1.00 0.00 O ATOM 1281 CB ILE A 82 -2.634 19.155 -42.328 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -3.300 18.006 -43.118 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -2.056 18.670 -41.008 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -2.380 16.831 -43.393 1.00 0.00 C ATOM 0 H ILE A 82 -3.594 21.236 -40.271 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.647 20.858 -43.117 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.793 19.517 -42.920 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.168 17.652 -42.562 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.667 18.397 -44.067 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.385 17.831 -41.191 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.503 19.480 -40.533 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.866 18.351 -40.352 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.922 16.067 -43.951 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.524 17.168 -43.977 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.033 16.412 -42.449 1.00 0.00 H new ATOM 1296 N ASP A 83 -5.946 20.144 -42.584 1.00 0.00 N ATOM 1297 CA ASP A 83 -7.269 19.655 -42.319 1.00 0.00 C ATOM 1298 C ASP A 83 -7.359 18.230 -42.771 1.00 0.00 C ATOM 1299 O ASP A 83 -7.529 17.943 -43.963 1.00 0.00 O ATOM 1300 CB ASP A 83 -8.367 20.489 -42.963 1.00 0.00 C ATOM 1301 CG ASP A 83 -9.732 19.981 -42.547 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -10.088 20.131 -41.355 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -10.444 19.377 -43.360 1.00 0.00 O ATOM 0 H ASP A 83 -5.842 20.670 -43.452 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.435 19.729 -41.244 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.257 21.533 -42.671 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.273 20.449 -44.048 1.00 0.00 H new ATOM 1308 N PHE A 84 -7.140 17.352 -41.844 1.00 0.00 N ATOM 1309 CA PHE A 84 -7.184 15.951 -42.099 1.00 0.00 C ATOM 1310 C PHE A 84 -8.336 15.323 -41.353 1.00 0.00 C ATOM 1311 O PHE A 84 -8.813 15.868 -40.334 1.00 0.00 O ATOM 1312 CB PHE A 84 -5.845 15.273 -41.704 1.00 0.00 C ATOM 1313 CG PHE A 84 -5.450 15.427 -40.243 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -5.914 14.550 -39.276 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -4.605 16.439 -39.855 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -5.536 14.697 -37.950 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -4.226 16.593 -38.538 1.00 0.00 C ATOM 1318 CZ PHE A 84 -4.692 15.721 -37.583 1.00 0.00 C ATOM 0 H PHE A 84 -6.923 17.593 -40.877 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.334 15.801 -43.168 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.912 14.210 -41.936 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.050 15.686 -42.325 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.576 13.745 -39.558 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.230 17.128 -40.597 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.904 14.008 -37.204 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.563 17.398 -38.257 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.398 15.838 -36.551 1.00 0.00 H new ATOM 1328 N ASP A 85 -8.770 14.221 -41.852 1.00 0.00 N ATOM 1329 CA ASP A 85 -9.797 13.416 -41.252 1.00 0.00 C ATOM 1330 C ASP A 85 -9.159 12.123 -40.843 1.00 0.00 C ATOM 1331 O ASP A 85 -8.687 11.366 -41.689 1.00 0.00 O ATOM 1332 CB ASP A 85 -10.934 13.152 -42.260 1.00 0.00 C ATOM 1333 CG ASP A 85 -11.933 12.100 -41.791 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -12.864 12.422 -41.020 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -11.821 10.931 -42.219 1.00 0.00 O ATOM 0 H ASP A 85 -8.411 13.832 -42.724 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.232 13.926 -40.392 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.464 14.085 -42.450 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.501 12.833 -43.208 1.00 0.00 H new ATOM 1340 N LEU A 86 -9.054 11.882 -39.578 1.00 0.00 N ATOM 1341 CA LEU A 86 -8.464 10.655 -39.152 1.00 0.00 C ATOM 1342 C LEU A 86 -9.536 9.798 -38.561 1.00 0.00 C ATOM 1343 O LEU A 86 -10.543 10.306 -38.059 1.00 0.00 O ATOM 1344 CB LEU A 86 -7.344 10.837 -38.117 1.00 0.00 C ATOM 1345 CG LEU A 86 -7.791 11.097 -36.674 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -6.666 10.856 -35.730 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -8.332 12.498 -36.478 1.00 0.00 C ATOM 0 H LEU A 86 -9.363 12.505 -38.832 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.007 10.195 -40.028 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.720 9.943 -38.127 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.715 11.668 -38.436 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.602 10.400 -36.465 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.000 11.045 -34.710 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.333 9.822 -35.817 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.839 11.524 -35.971 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.634 12.629 -35.439 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.558 13.225 -36.725 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.193 12.650 -37.128 1.00 0.00 H new ATOM 1359 N ASN A 87 -9.340 8.541 -38.624 1.00 0.00 N ATOM 1360 CA ASN A 87 -10.253 7.625 -38.072 1.00 0.00 C ATOM 1361 C ASN A 87 -9.511 6.640 -37.198 1.00 0.00 C ATOM 1362 O ASN A 87 -8.668 5.881 -37.693 1.00 0.00 O ATOM 1363 CB ASN A 87 -10.973 6.913 -39.202 1.00 0.00 C ATOM 1364 CG ASN A 87 -11.957 5.893 -38.726 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -13.116 6.189 -38.490 1.00 0.00 O ATOM 1366 ND2 ASN A 87 -11.509 4.699 -38.584 1.00 0.00 N ATOM 0 H ASN A 87 -8.528 8.112 -39.068 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.987 8.143 -37.455 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.492 7.650 -39.815 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.238 6.427 -39.843 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.130 3.956 -38.263 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.532 4.493 -38.792 1.00 0.00 H new ATOM 1373 N ILE A 88 -9.765 6.696 -35.920 1.00 0.00 N ATOM 1374 CA ILE A 88 -9.200 5.765 -34.981 1.00 0.00 C ATOM 1375 C ILE A 88 -10.078 4.530 -34.914 1.00 0.00 C ATOM 1376 O ILE A 88 -11.304 4.629 -34.873 1.00 0.00 O ATOM 1377 CB ILE A 88 -9.088 6.361 -33.558 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -8.179 7.592 -33.537 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -8.558 5.303 -32.595 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -6.752 7.293 -33.888 1.00 0.00 C ATOM 0 H ILE A 88 -10.375 7.395 -35.496 1.00 0.00 H new ATOM 0 HA ILE A 88 -8.196 5.521 -35.328 1.00 0.00 H new ATOM 0 HB ILE A 88 -10.083 6.675 -33.243 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.568 8.332 -34.236 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.213 8.041 -32.545 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -8.481 5.728 -31.594 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -9.240 4.453 -32.577 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.574 4.971 -32.925 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.168 8.213 -33.852 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.344 6.577 -33.175 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.705 6.872 -34.892 1.00 0.00 H new ATOM 1392 N MET A 89 -9.457 3.394 -34.922 1.00 0.00 N ATOM 1393 CA MET A 89 -10.128 2.140 -34.817 1.00 0.00 C ATOM 1394 C MET A 89 -9.167 1.181 -34.142 1.00 0.00 C ATOM 1395 O MET A 89 -7.974 1.424 -34.134 1.00 0.00 O ATOM 1396 CB MET A 89 -10.509 1.608 -36.221 1.00 0.00 C ATOM 1397 CG MET A 89 -9.325 1.090 -37.039 1.00 0.00 C ATOM 1398 SD MET A 89 -9.755 0.597 -38.726 1.00 0.00 S ATOM 1399 CE MET A 89 -9.870 2.165 -39.550 1.00 0.00 C ATOM 0 H MET A 89 -8.444 3.312 -35.004 1.00 0.00 H new ATOM 0 HA MET A 89 -11.049 2.244 -34.243 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.237 0.804 -36.107 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.000 2.406 -36.778 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.560 1.865 -37.082 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.886 0.236 -36.523 1.00 0.00 H new ATOM 0 HE1 MET A 89 -9.449 2.081 -40.552 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.916 2.463 -39.620 1.00 0.00 H new ATOM 0 HE3 MET A 89 -9.316 2.915 -38.985 1.00 0.00 H new ATOM 1409 N THR A 90 -9.661 0.169 -33.527 1.00 0.00 N ATOM 1410 CA THR A 90 -8.837 -0.868 -32.994 1.00 0.00 C ATOM 1411 C THR A 90 -8.161 -1.650 -34.127 1.00 0.00 C ATOM 1412 O THR A 90 -8.716 -1.768 -35.214 1.00 0.00 O ATOM 1413 CB THR A 90 -9.727 -1.781 -32.166 1.00 0.00 C ATOM 1414 OG1 THR A 90 -11.100 -1.454 -32.484 1.00 0.00 O ATOM 1415 CG2 THR A 90 -9.511 -1.522 -30.714 1.00 0.00 C ATOM 0 H THR A 90 -10.660 0.030 -33.375 1.00 0.00 H new ATOM 0 HA THR A 90 -8.046 -0.447 -32.373 1.00 0.00 H new ATOM 0 HB THR A 90 -9.499 -2.824 -32.385 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.584 -2.272 -32.724 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.152 -2.180 -30.128 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.468 -1.713 -30.462 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.755 -0.484 -30.489 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.958 -2.138 -33.872 1.00 0.00 N ATOM 1424 CA VAL A 91 -6.184 -2.950 -34.833 1.00 0.00 C ATOM 1425 C VAL A 91 -7.030 -4.121 -35.379 1.00 0.00 C ATOM 1426 O VAL A 91 -7.047 -4.387 -36.594 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.896 -3.489 -34.149 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -4.169 -4.514 -35.007 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.949 -2.358 -33.819 1.00 0.00 C ATOM 0 H VAL A 91 -6.475 -1.987 -32.986 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.906 -2.316 -35.675 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.218 -3.981 -33.231 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.277 -4.859 -34.484 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.828 -5.361 -35.198 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.881 -4.057 -35.954 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.055 -2.759 -33.341 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.669 -1.839 -34.736 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.439 -1.659 -33.142 1.00 0.00 H new ATOM 1439 N ASP A 92 -7.758 -4.764 -34.483 1.00 0.00 N ATOM 1440 CA ASP A 92 -8.670 -5.869 -34.819 1.00 0.00 C ATOM 1441 C ASP A 92 -9.691 -5.408 -35.839 1.00 0.00 C ATOM 1442 O ASP A 92 -9.939 -6.070 -36.855 1.00 0.00 O ATOM 1443 CB ASP A 92 -9.405 -6.318 -33.556 1.00 0.00 C ATOM 1444 CG ASP A 92 -10.398 -7.436 -33.785 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -11.531 -7.169 -34.239 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -10.091 -8.589 -33.430 1.00 0.00 O ATOM 0 H ASP A 92 -7.740 -4.539 -33.488 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.090 -6.694 -35.232 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.672 -6.643 -32.818 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.929 -5.463 -33.130 1.00 0.00 H new ATOM 1451 N ASP A 93 -10.192 -4.214 -35.604 1.00 0.00 N ATOM 1452 CA ASP A 93 -11.244 -3.616 -36.405 1.00 0.00 C ATOM 1453 C ASP A 93 -10.690 -3.017 -37.671 1.00 0.00 C ATOM 1454 O ASP A 93 -11.425 -2.617 -38.570 1.00 0.00 O ATOM 1455 CB ASP A 93 -12.027 -2.583 -35.595 1.00 0.00 C ATOM 1456 CG ASP A 93 -12.927 -3.227 -34.573 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -14.078 -3.565 -34.907 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -12.496 -3.428 -33.417 1.00 0.00 O ATOM 0 H ASP A 93 -9.875 -3.620 -34.838 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.937 -4.406 -36.693 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.330 -1.913 -35.092 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.626 -1.972 -36.270 1.00 0.00 H new ATOM 1463 N TYR A 94 -9.402 -2.977 -37.749 1.00 0.00 N ATOM 1464 CA TYR A 94 -8.725 -2.498 -38.903 1.00 0.00 C ATOM 1465 C TYR A 94 -8.474 -3.616 -39.873 1.00 0.00 C ATOM 1466 O TYR A 94 -8.936 -3.577 -41.021 1.00 0.00 O ATOM 1467 CB TYR A 94 -7.427 -1.819 -38.506 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.474 -1.521 -39.640 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -6.744 -0.538 -40.577 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -5.289 -2.227 -39.752 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -5.851 -0.273 -41.592 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -4.396 -1.967 -40.758 1.00 0.00 C ATOM 1473 CZ TYR A 94 -4.674 -0.996 -41.674 1.00 0.00 C ATOM 1474 OH TYR A 94 -3.777 -0.738 -42.683 1.00 0.00 O ATOM 0 H TYR A 94 -8.781 -3.282 -36.999 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.358 -1.762 -39.399 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.667 -0.883 -38.001 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.914 -2.451 -37.780 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.663 0.026 -40.512 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.063 -2.999 -39.031 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.068 0.495 -42.320 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.476 -2.529 -40.825 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.004 -1.334 -42.594 1.00 0.00 H new ATOM 1484 N PHE A 95 -7.775 -4.622 -39.407 1.00 0.00 N ATOM 1485 CA PHE A 95 -7.408 -5.752 -40.236 1.00 0.00 C ATOM 1486 C PHE A 95 -8.595 -6.540 -40.717 1.00 0.00 C ATOM 1487 O PHE A 95 -8.528 -7.211 -41.730 1.00 0.00 O ATOM 1488 CB PHE A 95 -6.388 -6.634 -39.560 1.00 0.00 C ATOM 1489 CG PHE A 95 -5.009 -6.034 -39.564 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.403 -5.692 -40.766 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -4.315 -5.816 -38.391 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -3.137 -5.147 -40.794 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -3.046 -5.269 -38.417 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.457 -4.935 -39.621 1.00 0.00 C ATOM 0 H PHE A 95 -7.443 -4.684 -38.444 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.941 -5.333 -41.128 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.697 -6.817 -38.531 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.360 -7.601 -40.062 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.932 -5.856 -41.693 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.767 -6.075 -37.445 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.681 -4.887 -41.738 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.513 -5.102 -37.493 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.465 -4.509 -39.639 1.00 0.00 H new ATOM 1504 N ARG A 96 -9.688 -6.424 -40.005 1.00 0.00 N ATOM 1505 CA ARG A 96 -10.942 -7.057 -40.412 1.00 0.00 C ATOM 1506 C ARG A 96 -11.464 -6.494 -41.747 1.00 0.00 C ATOM 1507 O ARG A 96 -12.261 -7.121 -42.420 1.00 0.00 O ATOM 1508 CB ARG A 96 -12.012 -6.986 -39.291 1.00 0.00 C ATOM 1509 CG ARG A 96 -12.531 -5.596 -38.904 1.00 0.00 C ATOM 1510 CD ARG A 96 -13.586 -5.039 -39.865 1.00 0.00 C ATOM 1511 NE ARG A 96 -14.744 -5.935 -39.996 1.00 0.00 N ATOM 1512 CZ ARG A 96 -15.896 -5.634 -40.619 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -16.100 -4.415 -41.101 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -16.846 -6.554 -40.738 1.00 0.00 N ATOM 0 H ARG A 96 -9.746 -5.896 -39.134 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.728 -8.113 -40.580 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.865 -7.591 -39.599 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.597 -7.452 -38.398 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.956 -5.643 -37.901 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.690 -4.904 -38.862 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.921 -4.065 -39.510 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.136 -4.883 -40.846 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.667 -6.863 -39.579 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.380 -3.700 -41.000 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.977 -4.193 -41.573 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.701 -7.489 -40.357 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -17.721 -6.326 -41.211 1.00 0.00 H new ATOM 1528 N GLN A 97 -11.008 -5.307 -42.120 1.00 0.00 N ATOM 1529 CA GLN A 97 -11.425 -4.710 -43.382 1.00 0.00 C ATOM 1530 C GLN A 97 -10.515 -5.218 -44.465 1.00 0.00 C ATOM 1531 O GLN A 97 -10.953 -5.570 -45.562 1.00 0.00 O ATOM 1532 CB GLN A 97 -11.275 -3.206 -43.341 1.00 0.00 C ATOM 1533 CG GLN A 97 -11.979 -2.526 -42.211 1.00 0.00 C ATOM 1534 CD GLN A 97 -11.600 -1.077 -42.150 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -12.243 -0.217 -42.746 1.00 0.00 O ATOM 1536 NE2 GLN A 97 -10.515 -0.812 -41.495 1.00 0.00 N ATOM 0 H GLN A 97 -10.356 -4.743 -41.574 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.468 -4.970 -43.564 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.214 -2.964 -43.285 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.646 -2.794 -44.279 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.057 -2.621 -42.338 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.724 -3.014 -41.270 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.014 -1.559 -41.015 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.161 0.144 -41.459 1.00 0.00 H new