USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=30 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 -58:sc= 0.472 USER MOD Set 1.2: A 55 ASN :FLIP amide:sc= 0.232 F(o=0.31,f=1.6) USER MOD Set 1.3: A 56 SER OG : rot 60:sc= 0.803 USER MOD Set 1.4: A 87 ASN :FLIP amide:sc= 0 F(o=-0.65,f=1.6) USER MOD Set 1.5: A 89 MET CE :methyl -107:sc= 0 (180deg=-0.022) USER MOD Set 1.6: A 94 TYR OH : rot 33:sc= 0.118 USER MOD Set 2.1: A 51 GLN : amide:sc= -0.322 X(o=-3.1,f=-3) USER MOD Set 2.2: A 53 ASN : amide:sc= -2.78 K(o=-3.1,f=-4.3!) USER MOD Set 3.1: A 34 TYR OH : rot 111:sc= 0.969 USER MOD Set 3.2: A 40 SER OG : rot -50:sc= 1.55 USER MOD Set 4.1: A 10 ASN :FLIP amide:sc= 0.623 F(o=-2.1!,f=1.5) USER MOD Set 4.2: A 62 SER OG : rot 73:sc= 0.839 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.869 USER MOD Single : A 12 TYR OH : rot -132:sc= 0.0297 USER MOD Single : A 18 TYR OH : rot -82:sc= 0.751 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc=0.000109 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -39:sc= -0.662 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 83:sc= 1.24 USER MOD Single : A 33 MET CE :methyl -165:sc= -1.69 (180deg=-2.11) USER MOD Single : A 36 MET CE :methyl -174:sc= -0.495 (180deg=-0.597) 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 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 15:sc= 0.0753 USER MOD Single : A 61 THR OG1 : rot 148:sc= -2.5! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0615) USER MOD Single : A 76 CYS SG : rot 180:sc= -2.62! USER MOD Single : A 90 THR OG1 : rot 137:sc= 1.57 USER MOD Single : A 97 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 122 N PHE A 9 0.648 -3.022 -22.146 1.00 0.00 N ATOM 123 CA PHE A 9 0.690 -2.339 -23.425 1.00 0.00 C ATOM 124 C PHE A 9 -0.277 -3.020 -24.362 1.00 0.00 C ATOM 125 O PHE A 9 -0.308 -4.242 -24.432 1.00 0.00 O ATOM 126 CB PHE A 9 2.108 -2.320 -24.013 1.00 0.00 C ATOM 127 CG PHE A 9 3.062 -1.436 -23.257 1.00 0.00 C ATOM 128 CD1 PHE A 9 3.801 -1.929 -22.193 1.00 0.00 C ATOM 129 CD2 PHE A 9 3.214 -0.104 -23.614 1.00 0.00 C ATOM 130 CE1 PHE A 9 4.674 -1.113 -21.502 1.00 0.00 C ATOM 131 CE2 PHE A 9 4.087 0.717 -22.925 1.00 0.00 C ATOM 132 CZ PHE A 9 4.816 0.212 -21.868 1.00 0.00 C ATOM 0 HA PHE A 9 0.399 -1.298 -23.285 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.501 -3.337 -24.026 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.058 -1.984 -25.049 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.693 -2.963 -21.901 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.644 0.296 -24.439 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.246 -1.510 -20.676 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.198 1.752 -23.214 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.497 0.852 -21.327 1.00 0.00 H new ATOM 142 N ASN A 10 -1.094 -2.255 -25.042 1.00 0.00 N ATOM 143 CA ASN A 10 -2.107 -2.827 -25.933 1.00 0.00 C ATOM 144 C ASN A 10 -1.714 -2.500 -27.352 1.00 0.00 C ATOM 145 O ASN A 10 -0.567 -2.157 -27.591 1.00 0.00 O ATOM 146 CB ASN A 10 -3.531 -2.278 -25.631 1.00 0.00 C ATOM 147 CG ASN A 10 -4.079 -2.598 -24.243 1.00 0.00 C ATOM 148 OD1 ASN A 10 -3.295 -2.409 -23.242 1.00 0.00 O flip ATOM 149 ND2 ASN A 10 -5.251 -2.926 -24.087 1.00 0.00 N flip ATOM 0 H ASN A 10 -1.088 -1.236 -25.005 1.00 0.00 H new ATOM 0 HA ASN A 10 -2.148 -3.905 -25.777 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.518 -1.195 -25.756 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.220 -2.677 -26.375 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.853 -3.070 -24.898 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.624 -3.055 -23.146 1.00 0.00 H new ATOM 156 N THR A 11 -2.608 -2.638 -28.298 1.00 0.00 N ATOM 157 CA THR A 11 -2.279 -2.278 -29.632 1.00 0.00 C ATOM 158 C THR A 11 -3.502 -1.663 -30.368 1.00 0.00 C ATOM 159 O THR A 11 -4.625 -2.199 -30.341 1.00 0.00 O ATOM 160 CB THR A 11 -1.631 -3.479 -30.384 1.00 0.00 C ATOM 161 OG1 THR A 11 -1.091 -3.067 -31.639 1.00 0.00 O ATOM 162 CG2 THR A 11 -2.613 -4.634 -30.589 1.00 0.00 C ATOM 0 H THR A 11 -3.554 -2.993 -28.162 1.00 0.00 H new ATOM 0 HA THR A 11 -1.525 -1.491 -29.611 1.00 0.00 H new ATOM 0 HB THR A 11 -0.821 -3.842 -29.751 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.689 -3.838 -32.091 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.114 -5.446 -31.117 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.962 -4.991 -29.620 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.464 -4.288 -31.176 1.00 0.00 H new ATOM 170 N TYR A 12 -3.284 -0.517 -30.964 1.00 0.00 N ATOM 171 CA TYR A 12 -4.318 0.222 -31.667 1.00 0.00 C ATOM 172 C TYR A 12 -3.848 0.610 -33.041 1.00 0.00 C ATOM 173 O TYR A 12 -2.655 0.600 -33.314 1.00 0.00 O ATOM 174 CB TYR A 12 -4.677 1.501 -30.928 1.00 0.00 C ATOM 175 CG TYR A 12 -5.459 1.346 -29.651 1.00 0.00 C ATOM 176 CD1 TYR A 12 -6.857 1.301 -29.660 1.00 0.00 C ATOM 177 CD2 TYR A 12 -4.806 1.313 -28.428 1.00 0.00 C ATOM 178 CE1 TYR A 12 -7.564 1.230 -28.469 1.00 0.00 C ATOM 179 CE2 TYR A 12 -5.503 1.227 -27.248 1.00 0.00 C ATOM 180 CZ TYR A 12 -6.876 1.191 -27.266 1.00 0.00 C ATOM 181 OH TYR A 12 -7.566 1.141 -26.068 1.00 0.00 O ATOM 0 H TYR A 12 -2.372 -0.060 -30.978 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.189 -0.430 -31.729 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.753 2.033 -30.699 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.251 2.135 -31.604 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.389 1.322 -30.600 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.727 1.356 -28.403 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.644 1.205 -28.479 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.973 1.188 -26.308 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.198 1.807 -25.450 1.00 0.00 H new ATOM 191 N VAL A 13 -4.782 0.977 -33.869 1.00 0.00 N ATOM 192 CA VAL A 13 -4.542 1.426 -35.223 1.00 0.00 C ATOM 193 C VAL A 13 -5.245 2.758 -35.452 1.00 0.00 C ATOM 194 O VAL A 13 -6.352 2.981 -34.965 1.00 0.00 O ATOM 195 CB VAL A 13 -5.024 0.367 -36.280 1.00 0.00 C ATOM 196 CG1 VAL A 13 -5.123 0.957 -37.673 1.00 0.00 C ATOM 197 CG2 VAL A 13 -4.054 -0.776 -36.331 1.00 0.00 C ATOM 0 H VAL A 13 -5.770 0.974 -33.617 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.467 1.552 -35.353 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.013 0.032 -35.968 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.459 0.190 -38.370 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.836 1.781 -37.669 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.145 1.325 -37.983 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.392 -1.508 -37.065 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.069 -0.405 -36.615 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.995 -1.247 -35.350 1.00 0.00 H new ATOM 207 N VAL A 14 -4.602 3.636 -36.150 1.00 0.00 N ATOM 208 CA VAL A 14 -5.175 4.889 -36.482 1.00 0.00 C ATOM 209 C VAL A 14 -5.198 5.056 -37.976 1.00 0.00 C ATOM 210 O VAL A 14 -4.219 4.792 -38.651 1.00 0.00 O ATOM 211 CB VAL A 14 -4.455 6.075 -35.797 1.00 0.00 C ATOM 212 CG1 VAL A 14 -2.957 6.065 -36.067 1.00 0.00 C ATOM 213 CG2 VAL A 14 -5.078 7.407 -36.209 1.00 0.00 C ATOM 0 H VAL A 14 -3.656 3.498 -36.507 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.197 4.897 -36.103 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.589 5.955 -34.722 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.492 6.915 -35.567 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.525 5.139 -35.687 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.780 6.134 -37.140 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.553 8.223 -35.713 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.998 7.527 -37.289 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.129 7.422 -35.919 1.00 0.00 H new ATOM 223 N SER A 15 -6.314 5.429 -38.465 1.00 0.00 N ATOM 224 CA SER A 15 -6.514 5.675 -39.855 1.00 0.00 C ATOM 225 C SER A 15 -6.714 7.164 -40.058 1.00 0.00 C ATOM 226 O SER A 15 -7.585 7.754 -39.440 1.00 0.00 O ATOM 227 CB SER A 15 -7.717 4.860 -40.328 1.00 0.00 C ATOM 228 OG SER A 15 -7.428 3.465 -40.245 1.00 0.00 O ATOM 0 H SER A 15 -7.149 5.580 -37.898 1.00 0.00 H new ATOM 0 HA SER A 15 -5.650 5.369 -40.445 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.588 5.096 -39.717 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.966 5.127 -41.355 1.00 0.00 H new ATOM 0 HG SER A 15 -6.641 3.261 -40.792 1.00 0.00 H new ATOM 234 N PHE A 16 -5.873 7.774 -40.853 1.00 0.00 N ATOM 235 CA PHE A 16 -5.946 9.208 -41.069 1.00 0.00 C ATOM 236 C PHE A 16 -6.696 9.578 -42.326 1.00 0.00 C ATOM 237 O PHE A 16 -6.759 8.806 -43.289 1.00 0.00 O ATOM 238 CB PHE A 16 -4.555 9.864 -41.076 1.00 0.00 C ATOM 239 CG PHE A 16 -3.943 10.025 -39.716 1.00 0.00 C ATOM 240 CD1 PHE A 16 -3.286 8.979 -39.099 1.00 0.00 C ATOM 241 CD2 PHE A 16 -4.029 11.240 -39.049 1.00 0.00 C ATOM 242 CE1 PHE A 16 -2.736 9.142 -37.850 1.00 0.00 C ATOM 243 CE2 PHE A 16 -3.478 11.401 -37.800 1.00 0.00 C ATOM 244 CZ PHE A 16 -2.834 10.355 -37.199 1.00 0.00 C ATOM 0 H PHE A 16 -5.126 7.305 -41.365 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.510 9.597 -40.221 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.886 9.265 -41.694 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.631 10.844 -41.546 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.204 8.026 -39.601 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.536 12.070 -39.518 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.225 8.317 -37.376 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.554 12.352 -37.294 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.403 10.478 -36.216 1.00 0.00 H new ATOM 254 N ASP A 17 -7.269 10.749 -42.295 1.00 0.00 N ATOM 255 CA ASP A 17 -7.964 11.351 -43.404 1.00 0.00 C ATOM 256 C ASP A 17 -7.479 12.745 -43.613 1.00 0.00 C ATOM 257 O ASP A 17 -7.459 13.545 -42.673 1.00 0.00 O ATOM 258 CB ASP A 17 -9.464 11.380 -43.189 1.00 0.00 C ATOM 259 CG ASP A 17 -10.156 10.165 -43.713 1.00 0.00 C ATOM 260 OD1 ASP A 17 -10.164 9.970 -44.947 1.00 0.00 O ATOM 261 OD2 ASP A 17 -10.703 9.388 -42.925 1.00 0.00 O ATOM 0 H ASP A 17 -7.265 11.337 -41.461 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.757 10.740 -44.283 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.670 11.476 -42.123 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.877 12.264 -43.675 1.00 0.00 H new ATOM 266 N TYR A 18 -7.072 13.028 -44.825 1.00 0.00 N ATOM 267 CA TYR A 18 -6.581 14.332 -45.213 1.00 0.00 C ATOM 268 C TYR A 18 -6.454 14.375 -46.726 1.00 0.00 C ATOM 269 O TYR A 18 -6.191 13.334 -47.357 1.00 0.00 O ATOM 270 CB TYR A 18 -5.210 14.662 -44.534 1.00 0.00 C ATOM 271 CG TYR A 18 -4.092 13.668 -44.825 1.00 0.00 C ATOM 272 CD1 TYR A 18 -3.959 12.521 -44.061 1.00 0.00 C ATOM 273 CD2 TYR A 18 -3.186 13.874 -45.866 1.00 0.00 C ATOM 274 CE1 TYR A 18 -2.969 11.598 -44.321 1.00 0.00 C ATOM 275 CE2 TYR A 18 -2.185 12.956 -46.131 1.00 0.00 C ATOM 276 CZ TYR A 18 -2.084 11.818 -45.357 1.00 0.00 C ATOM 277 OH TYR A 18 -1.107 10.882 -45.631 1.00 0.00 O ATOM 0 H TYR A 18 -7.072 12.348 -45.585 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.290 15.089 -44.877 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.890 15.652 -44.859 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.359 14.713 -43.455 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.645 12.346 -43.245 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.267 14.763 -46.474 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.886 10.707 -43.717 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.488 13.129 -46.938 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.351 11.011 -45.021 1.00 0.00 H new ATOM 287 N PRO A 19 -6.707 15.530 -47.344 1.00 0.00 N ATOM 288 CA PRO A 19 -6.514 15.697 -48.770 1.00 0.00 C ATOM 289 C PRO A 19 -5.032 15.788 -49.111 1.00 0.00 C ATOM 290 O PRO A 19 -4.200 16.153 -48.256 1.00 0.00 O ATOM 291 CB PRO A 19 -7.202 17.027 -49.090 1.00 0.00 C ATOM 292 CG PRO A 19 -7.248 17.771 -47.807 1.00 0.00 C ATOM 293 CD PRO A 19 -7.246 16.742 -46.708 1.00 0.00 C ATOM 0 HA PRO A 19 -6.916 14.859 -49.339 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.648 17.583 -49.846 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.205 16.865 -49.485 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.390 18.437 -47.715 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.141 18.393 -47.753 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.628 17.059 -45.868 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.250 16.574 -46.319 1.00 0.00 H new ATOM 301 N SER A 20 -4.705 15.525 -50.352 1.00 0.00 N ATOM 302 CA SER A 20 -3.324 15.554 -50.823 1.00 0.00 C ATOM 303 C SER A 20 -2.765 16.997 -50.878 1.00 0.00 C ATOM 304 O SER A 20 -1.589 17.232 -51.196 1.00 0.00 O ATOM 305 CB SER A 20 -3.231 14.858 -52.171 1.00 0.00 C ATOM 306 OG SER A 20 -3.694 13.518 -52.056 1.00 0.00 O ATOM 0 H SER A 20 -5.384 15.283 -51.074 1.00 0.00 H new ATOM 0 HA SER A 20 -2.701 15.014 -50.110 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.826 15.396 -52.910 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.200 14.867 -52.524 1.00 0.00 H new ATOM 0 HG SER A 20 -3.633 13.075 -52.928 1.00 0.00 H new ATOM 312 N SER A 21 -3.611 17.944 -50.545 1.00 0.00 N ATOM 313 CA SER A 21 -3.241 19.321 -50.431 1.00 0.00 C ATOM 314 C SER A 21 -2.306 19.517 -49.216 1.00 0.00 C ATOM 315 O SER A 21 -1.577 20.500 -49.128 1.00 0.00 O ATOM 316 CB SER A 21 -4.516 20.127 -50.264 1.00 0.00 C ATOM 317 OG SER A 21 -5.480 19.699 -51.222 1.00 0.00 O ATOM 0 H SER A 21 -4.595 17.767 -50.343 1.00 0.00 H new ATOM 0 HA SER A 21 -2.704 19.653 -51.319 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.909 20.000 -49.255 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.307 21.189 -50.393 1.00 0.00 H new ATOM 0 HG SER A 21 -6.303 20.219 -51.112 1.00 0.00 H new ATOM 323 N TYR A 22 -2.337 18.571 -48.280 1.00 0.00 N ATOM 324 CA TYR A 22 -1.491 18.650 -47.096 1.00 0.00 C ATOM 325 C TYR A 22 -0.459 17.553 -47.041 1.00 0.00 C ATOM 326 O TYR A 22 0.114 17.324 -45.989 1.00 0.00 O ATOM 327 CB TYR A 22 -2.315 18.590 -45.828 1.00 0.00 C ATOM 328 CG TYR A 22 -3.281 19.709 -45.643 1.00 0.00 C ATOM 329 CD1 TYR A 22 -2.878 20.913 -45.104 1.00 0.00 C ATOM 330 CD2 TYR A 22 -4.597 19.552 -45.993 1.00 0.00 C ATOM 331 CE1 TYR A 22 -3.773 21.939 -44.919 1.00 0.00 C ATOM 332 CE2 TYR A 22 -5.504 20.560 -45.815 1.00 0.00 C ATOM 333 CZ TYR A 22 -5.085 21.762 -45.275 1.00 0.00 C ATOM 334 OH TYR A 22 -5.985 22.777 -45.076 1.00 0.00 O ATOM 0 H TYR A 22 -2.936 17.746 -48.319 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.977 19.609 -47.168 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.867 17.650 -45.817 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.637 18.572 -44.974 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.844 21.051 -44.823 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.924 18.614 -46.417 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.446 22.877 -44.496 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.538 20.419 -46.094 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.872 22.493 -45.382 1.00 0.00 H new ATOM 344 N SER A 23 -0.181 16.922 -48.150 1.00 0.00 N ATOM 345 CA SER A 23 0.779 15.829 -48.180 1.00 0.00 C ATOM 346 C SER A 23 2.153 16.273 -47.670 1.00 0.00 C ATOM 347 O SER A 23 2.692 15.662 -46.778 1.00 0.00 O ATOM 348 CB SER A 23 0.862 15.264 -49.584 1.00 0.00 C ATOM 349 OG SER A 23 -0.415 14.818 -50.015 1.00 0.00 O ATOM 0 H SER A 23 -0.603 17.140 -49.053 1.00 0.00 H new ATOM 0 HA SER A 23 0.436 15.043 -47.507 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.238 16.025 -50.267 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.571 14.436 -49.608 1.00 0.00 H new ATOM 0 HG SER A 23 -0.881 14.388 -49.268 1.00 0.00 H new ATOM 355 N SER A 24 2.630 17.414 -48.130 1.00 0.00 N ATOM 356 CA SER A 24 3.959 17.883 -47.764 1.00 0.00 C ATOM 357 C SER A 24 3.949 18.580 -46.387 1.00 0.00 C ATOM 358 O SER A 24 4.988 18.964 -45.854 1.00 0.00 O ATOM 359 CB SER A 24 4.477 18.812 -48.852 1.00 0.00 C ATOM 360 OG SER A 24 4.416 18.159 -50.124 1.00 0.00 O ATOM 0 H SER A 24 2.120 18.035 -48.758 1.00 0.00 H new ATOM 0 HA SER A 24 4.628 17.027 -47.678 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.883 19.726 -48.874 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.504 19.105 -48.633 1.00 0.00 H new ATOM 0 HG SER A 24 4.750 18.764 -50.819 1.00 0.00 H new ATOM 366 N VAL A 25 2.773 18.723 -45.833 1.00 0.00 N ATOM 367 CA VAL A 25 2.575 19.329 -44.529 1.00 0.00 C ATOM 368 C VAL A 25 2.466 18.253 -43.465 1.00 0.00 C ATOM 369 O VAL A 25 3.066 18.340 -42.386 1.00 0.00 O ATOM 370 CB VAL A 25 1.282 20.186 -44.525 1.00 0.00 C ATOM 371 CG1 VAL A 25 0.871 20.561 -43.114 1.00 0.00 C ATOM 372 CG2 VAL A 25 1.472 21.428 -45.370 1.00 0.00 C ATOM 0 H VAL A 25 1.907 18.418 -46.278 1.00 0.00 H new ATOM 0 HA VAL A 25 3.431 19.968 -44.313 1.00 0.00 H new ATOM 0 HB VAL A 25 0.480 19.586 -44.956 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.038 21.161 -43.147 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.687 19.655 -42.536 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.668 21.136 -42.644 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.557 22.020 -45.358 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.293 22.021 -44.966 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.704 21.139 -46.395 1.00 0.00 H new ATOM 382 N PHE A 26 1.759 17.214 -43.807 1.00 0.00 N ATOM 383 CA PHE A 26 1.452 16.134 -42.915 1.00 0.00 C ATOM 384 C PHE A 26 2.695 15.353 -42.530 1.00 0.00 C ATOM 385 O PHE A 26 2.718 14.663 -41.506 1.00 0.00 O ATOM 386 CB PHE A 26 0.391 15.245 -43.566 1.00 0.00 C ATOM 387 CG PHE A 26 0.430 13.820 -43.124 1.00 0.00 C ATOM 388 CD1 PHE A 26 -0.181 13.425 -41.952 1.00 0.00 C ATOM 389 CD2 PHE A 26 1.130 12.886 -43.866 1.00 0.00 C ATOM 390 CE1 PHE A 26 -0.100 12.117 -41.535 1.00 0.00 C ATOM 391 CE2 PHE A 26 1.221 11.588 -43.452 1.00 0.00 C ATOM 392 CZ PHE A 26 0.607 11.199 -42.292 1.00 0.00 C ATOM 0 H PHE A 26 1.369 17.092 -44.742 1.00 0.00 H new ATOM 0 HA PHE A 26 1.054 16.536 -41.983 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.595 15.655 -43.346 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.517 15.281 -44.648 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.725 14.146 -41.360 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.611 13.187 -44.785 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.586 11.808 -40.621 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.776 10.870 -44.038 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.675 10.172 -41.966 1.00 0.00 H new ATOM 402 N LEU A 27 3.737 15.504 -43.317 1.00 0.00 N ATOM 403 CA LEU A 27 5.002 14.825 -43.086 1.00 0.00 C ATOM 404 C LEU A 27 5.519 15.145 -41.686 1.00 0.00 C ATOM 405 O LEU A 27 6.180 14.333 -41.053 1.00 0.00 O ATOM 406 CB LEU A 27 6.044 15.261 -44.115 1.00 0.00 C ATOM 407 CG LEU A 27 5.606 15.241 -45.574 1.00 0.00 C ATOM 408 CD1 LEU A 27 6.758 15.577 -46.495 1.00 0.00 C ATOM 409 CD2 LEU A 27 4.963 13.921 -45.943 1.00 0.00 C ATOM 0 H LEU A 27 3.735 16.104 -44.142 1.00 0.00 H new ATOM 0 HA LEU A 27 4.834 13.752 -43.181 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.365 16.273 -43.869 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.917 14.616 -44.012 1.00 0.00 H new ATOM 0 HG LEU A 27 4.848 16.014 -45.702 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.415 15.555 -47.529 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.134 16.572 -46.259 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.556 14.846 -46.361 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.663 13.943 -46.991 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.677 13.112 -45.787 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.085 13.756 -45.318 1.00 0.00 H new ATOM 421 N ARG A 28 5.135 16.305 -41.187 1.00 0.00 N ATOM 422 CA ARG A 28 5.541 16.735 -39.869 1.00 0.00 C ATOM 423 C ARG A 28 4.874 15.844 -38.843 1.00 0.00 C ATOM 424 O ARG A 28 5.523 15.241 -38.016 1.00 0.00 O ATOM 425 CB ARG A 28 5.151 18.200 -39.619 1.00 0.00 C ATOM 426 CG ARG A 28 5.640 19.177 -40.684 1.00 0.00 C ATOM 427 CD ARG A 28 7.112 18.984 -40.972 1.00 0.00 C ATOM 428 NE ARG A 28 7.936 19.157 -39.765 1.00 0.00 N ATOM 429 CZ ARG A 28 9.083 18.511 -39.523 1.00 0.00 C ATOM 430 NH1 ARG A 28 9.555 17.633 -40.400 1.00 0.00 N ATOM 431 NH2 ARG A 28 9.749 18.739 -38.400 1.00 0.00 N ATOM 0 H ARG A 28 4.538 16.968 -41.681 1.00 0.00 H new ATOM 0 HA ARG A 28 6.625 16.660 -39.789 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.065 18.267 -39.554 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.548 18.508 -38.652 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.066 19.037 -41.600 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.463 20.200 -40.351 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.274 17.987 -41.382 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.429 19.697 -41.733 1.00 0.00 H new ATOM 0 HE ARG A 28 7.609 19.818 -39.061 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.043 17.448 -41.263 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.430 17.143 -40.211 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.388 19.407 -37.719 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.623 18.246 -38.216 1.00 0.00 H new ATOM 445 N LEU A 29 3.582 15.685 -39.005 1.00 0.00 N ATOM 446 CA LEU A 29 2.745 14.906 -38.113 1.00 0.00 C ATOM 447 C LEU A 29 3.159 13.429 -38.187 1.00 0.00 C ATOM 448 O LEU A 29 3.139 12.725 -37.185 1.00 0.00 O ATOM 449 CB LEU A 29 1.261 15.113 -38.539 1.00 0.00 C ATOM 450 CG LEU A 29 0.112 14.691 -37.576 1.00 0.00 C ATOM 451 CD1 LEU A 29 -0.089 13.202 -37.529 1.00 0.00 C ATOM 452 CD2 LEU A 29 0.346 15.225 -36.177 1.00 0.00 C ATOM 0 H LEU A 29 3.067 16.103 -39.780 1.00 0.00 H new ATOM 0 HA LEU A 29 2.862 15.228 -37.078 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.130 16.173 -38.756 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.114 14.575 -39.476 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.799 15.132 -37.980 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.902 12.966 -36.842 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.338 12.837 -38.525 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.827 12.722 -37.185 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.472 14.914 -35.527 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.286 14.832 -35.790 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.393 16.314 -36.206 1.00 0.00 H new ATOM 464 N ARG A 30 3.595 12.980 -39.369 1.00 0.00 N ATOM 465 CA ARG A 30 3.981 11.575 -39.533 1.00 0.00 C ATOM 466 C ARG A 30 5.298 11.321 -38.825 1.00 0.00 C ATOM 467 O ARG A 30 5.524 10.262 -38.254 1.00 0.00 O ATOM 468 CB ARG A 30 4.023 11.149 -41.012 1.00 0.00 C ATOM 469 CG ARG A 30 5.321 11.406 -41.748 1.00 0.00 C ATOM 470 CD ARG A 30 5.210 11.085 -43.238 1.00 0.00 C ATOM 471 NE ARG A 30 4.910 9.668 -43.527 1.00 0.00 N ATOM 472 CZ ARG A 30 5.761 8.822 -44.147 1.00 0.00 C ATOM 473 NH1 ARG A 30 7.031 9.171 -44.345 1.00 0.00 N ATOM 474 NH2 ARG A 30 5.341 7.621 -44.541 1.00 0.00 N ATOM 0 H ARG A 30 3.688 13.553 -40.208 1.00 0.00 H new ATOM 0 HA ARG A 30 3.215 10.952 -39.070 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.804 10.083 -41.067 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.222 11.667 -41.540 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.608 12.450 -41.623 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.114 10.803 -41.306 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.430 11.707 -43.676 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.146 11.355 -43.728 1.00 0.00 H new ATOM 0 HE ARG A 30 4.001 9.305 -43.240 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.365 10.081 -44.028 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.669 8.528 -44.814 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.375 7.339 -44.375 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.985 6.984 -45.009 1.00 0.00 H new ATOM 488 N SER A 31 6.122 12.333 -38.813 1.00 0.00 N ATOM 489 CA SER A 31 7.387 12.278 -38.118 1.00 0.00 C ATOM 490 C SER A 31 7.141 12.269 -36.609 1.00 0.00 C ATOM 491 O SER A 31 7.854 11.605 -35.847 1.00 0.00 O ATOM 492 CB SER A 31 8.271 13.450 -38.537 1.00 0.00 C ATOM 493 OG SER A 31 8.497 13.420 -39.945 1.00 0.00 O ATOM 0 H SER A 31 5.939 13.220 -39.283 1.00 0.00 H new ATOM 0 HA SER A 31 7.912 11.360 -38.383 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.796 14.391 -38.258 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.223 13.404 -38.008 1.00 0.00 H new ATOM 0 HG SER A 31 7.741 13.840 -40.407 1.00 0.00 H new ATOM 499 N LEU A 32 6.078 12.947 -36.202 1.00 0.00 N ATOM 500 CA LEU A 32 5.676 13.009 -34.803 1.00 0.00 C ATOM 501 C LEU A 32 5.183 11.662 -34.315 1.00 0.00 C ATOM 502 O LEU A 32 5.322 11.332 -33.150 1.00 0.00 O ATOM 503 CB LEU A 32 4.595 14.071 -34.573 1.00 0.00 C ATOM 504 CG LEU A 32 5.049 15.481 -34.143 1.00 0.00 C ATOM 505 CD1 LEU A 32 5.728 15.434 -32.785 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.982 16.120 -35.154 1.00 0.00 C ATOM 0 H LEU A 32 5.469 13.470 -36.832 1.00 0.00 H new ATOM 0 HA LEU A 32 6.561 13.289 -34.231 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.022 14.171 -35.495 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.911 13.693 -33.813 1.00 0.00 H new ATOM 0 HG LEU A 32 4.150 16.094 -34.083 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.041 16.438 -32.500 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.030 15.047 -32.043 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.601 14.783 -32.837 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.273 17.111 -34.805 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.871 15.501 -35.271 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.473 16.208 -36.114 1.00 0.00 H new ATOM 518 N MET A 33 4.601 10.898 -35.210 1.00 0.00 N ATOM 519 CA MET A 33 4.107 9.567 -34.900 1.00 0.00 C ATOM 520 C MET A 33 5.220 8.675 -34.415 1.00 0.00 C ATOM 521 O MET A 33 5.086 7.999 -33.409 1.00 0.00 O ATOM 522 CB MET A 33 3.513 8.943 -36.128 1.00 0.00 C ATOM 523 CG MET A 33 2.412 9.730 -36.738 1.00 0.00 C ATOM 524 SD MET A 33 1.784 8.935 -38.202 1.00 0.00 S ATOM 525 CE MET A 33 0.549 10.097 -38.709 1.00 0.00 C ATOM 0 H MET A 33 4.454 11.179 -36.179 1.00 0.00 H new ATOM 0 HA MET A 33 3.355 9.669 -34.118 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.300 8.805 -36.869 1.00 0.00 H new ATOM 0 HB3 MET A 33 3.138 7.952 -35.873 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.606 9.854 -36.014 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.771 10.728 -36.989 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.109 9.631 -39.443 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.035 10.408 -37.843 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.030 10.968 -39.154 1.00 0.00 H new ATOM 535 N TYR A 34 6.319 8.684 -35.131 1.00 0.00 N ATOM 536 CA TYR A 34 7.457 7.847 -34.783 1.00 0.00 C ATOM 537 C TYR A 34 8.251 8.465 -33.645 1.00 0.00 C ATOM 538 O TYR A 34 9.036 7.790 -32.975 1.00 0.00 O ATOM 539 CB TYR A 34 8.316 7.583 -36.003 1.00 0.00 C ATOM 540 CG TYR A 34 7.529 6.944 -37.128 1.00 0.00 C ATOM 541 CD1 TYR A 34 6.991 5.663 -36.992 1.00 0.00 C ATOM 542 CD2 TYR A 34 7.290 7.630 -38.311 1.00 0.00 C ATOM 543 CE1 TYR A 34 6.255 5.098 -38.002 1.00 0.00 C ATOM 544 CE2 TYR A 34 6.547 7.064 -39.328 1.00 0.00 C ATOM 545 CZ TYR A 34 6.033 5.796 -39.166 1.00 0.00 C ATOM 546 OH TYR A 34 5.299 5.208 -40.182 1.00 0.00 O ATOM 0 H TYR A 34 6.456 9.261 -35.961 1.00 0.00 H new ATOM 0 HA TYR A 34 7.090 6.883 -34.431 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.748 8.521 -36.351 1.00 0.00 H new ATOM 0 HB3 TYR A 34 9.146 6.933 -35.727 1.00 0.00 H new ATOM 0 HD1 TYR A 34 7.157 5.110 -36.079 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.692 8.624 -38.438 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.849 4.104 -37.883 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.370 7.611 -40.243 1.00 0.00 H new ATOM 0 HH TYR A 34 4.435 5.663 -40.267 1.00 0.00 H new ATOM 556 N ASP A 35 8.054 9.760 -33.449 1.00 0.00 N ATOM 557 CA ASP A 35 8.582 10.468 -32.276 1.00 0.00 C ATOM 558 C ASP A 35 7.848 9.947 -31.044 1.00 0.00 C ATOM 559 O ASP A 35 8.411 9.818 -29.956 1.00 0.00 O ATOM 560 CB ASP A 35 8.371 11.983 -32.419 1.00 0.00 C ATOM 561 CG ASP A 35 8.867 12.783 -31.229 1.00 0.00 C ATOM 562 OD1 ASP A 35 10.083 13.065 -31.154 1.00 0.00 O ATOM 563 OD2 ASP A 35 8.042 13.178 -30.365 1.00 0.00 O ATOM 0 H ASP A 35 7.528 10.353 -34.090 1.00 0.00 H new ATOM 0 HA ASP A 35 9.653 10.290 -32.183 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.883 12.329 -33.317 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.309 12.181 -32.561 1.00 0.00 H new ATOM 568 N MET A 36 6.595 9.606 -31.259 1.00 0.00 N ATOM 569 CA MET A 36 5.746 8.997 -30.275 1.00 0.00 C ATOM 570 C MET A 36 5.829 7.462 -30.417 1.00 0.00 C ATOM 571 O MET A 36 6.809 6.938 -30.949 1.00 0.00 O ATOM 572 CB MET A 36 4.303 9.514 -30.442 1.00 0.00 C ATOM 573 CG MET A 36 4.105 10.947 -29.961 1.00 0.00 C ATOM 574 SD MET A 36 2.411 11.554 -30.163 1.00 0.00 S ATOM 575 CE MET A 36 2.295 11.696 -31.944 1.00 0.00 C ATOM 0 H MET A 36 6.131 9.753 -32.155 1.00 0.00 H new ATOM 0 HA MET A 36 6.075 9.263 -29.271 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.024 9.451 -31.494 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.626 8.859 -29.893 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.381 11.009 -28.908 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.784 11.602 -30.508 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.345 12.159 -32.211 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.115 12.311 -32.314 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.354 10.704 -32.393 1.00 0.00 H new ATOM 585 N ASN A 37 4.817 6.754 -29.975 1.00 0.00 N ATOM 586 CA ASN A 37 4.865 5.284 -29.932 1.00 0.00 C ATOM 587 C ASN A 37 4.362 4.589 -31.180 1.00 0.00 C ATOM 588 O ASN A 37 4.318 3.350 -31.231 1.00 0.00 O ATOM 589 CB ASN A 37 4.136 4.741 -28.726 1.00 0.00 C ATOM 590 CG ASN A 37 4.940 4.869 -27.473 1.00 0.00 C ATOM 591 OD1 ASN A 37 5.679 3.971 -27.104 1.00 0.00 O ATOM 592 ND2 ASN A 37 4.809 5.973 -26.809 1.00 0.00 N ATOM 0 H ASN A 37 3.944 7.158 -29.637 1.00 0.00 H new ATOM 0 HA ASN A 37 5.929 5.057 -29.863 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.192 5.272 -28.605 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.892 3.692 -28.893 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.334 6.114 -25.946 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.181 6.701 -27.149 1.00 0.00 H new ATOM 599 N PHE A 38 3.958 5.348 -32.158 1.00 0.00 N ATOM 600 CA PHE A 38 3.408 4.784 -33.398 1.00 0.00 C ATOM 601 C PHE A 38 4.465 4.017 -34.225 1.00 0.00 C ATOM 602 O PHE A 38 5.676 4.234 -34.085 1.00 0.00 O ATOM 603 CB PHE A 38 2.776 5.871 -34.250 1.00 0.00 C ATOM 604 CG PHE A 38 1.669 6.584 -33.554 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.940 7.678 -32.758 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.365 6.154 -33.676 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.944 8.328 -32.097 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.643 6.809 -33.015 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.343 7.898 -32.222 1.00 0.00 C ATOM 0 H PHE A 38 3.992 6.367 -32.138 1.00 0.00 H new ATOM 0 HA PHE A 38 2.644 4.066 -33.098 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.542 6.592 -34.537 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.394 5.428 -35.170 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.958 8.024 -32.658 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.136 5.298 -34.294 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.173 9.181 -31.476 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.665 6.475 -33.115 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.134 8.413 -31.697 1.00 0.00 H new ATOM 619 N SER A 39 4.001 3.123 -35.067 1.00 0.00 N ATOM 620 CA SER A 39 4.857 2.306 -35.907 1.00 0.00 C ATOM 621 C SER A 39 4.290 2.170 -37.330 1.00 0.00 C ATOM 622 O SER A 39 3.140 2.556 -37.591 1.00 0.00 O ATOM 623 CB SER A 39 4.982 0.936 -35.297 1.00 0.00 C ATOM 624 OG SER A 39 5.536 1.001 -33.985 1.00 0.00 O ATOM 0 H SER A 39 3.006 2.938 -35.192 1.00 0.00 H new ATOM 0 HA SER A 39 5.831 2.791 -35.972 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.001 0.463 -35.257 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.612 0.310 -35.929 1.00 0.00 H new ATOM 0 HG SER A 39 5.604 0.097 -33.613 1.00 0.00 H new ATOM 630 N SER A 40 5.089 1.586 -38.221 1.00 0.00 N ATOM 631 CA SER A 40 4.734 1.426 -39.617 1.00 0.00 C ATOM 632 C SER A 40 4.249 0.012 -39.909 1.00 0.00 C ATOM 633 O SER A 40 3.614 -0.233 -40.941 1.00 0.00 O ATOM 634 CB SER A 40 5.964 1.673 -40.458 1.00 0.00 C ATOM 635 OG SER A 40 6.636 2.840 -40.040 1.00 0.00 O ATOM 0 H SER A 40 6.007 1.210 -37.985 1.00 0.00 H new ATOM 0 HA SER A 40 3.936 2.131 -39.848 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.635 0.817 -40.387 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.679 1.769 -41.506 1.00 0.00 H new ATOM 0 HG SER A 40 5.998 3.581 -39.979 1.00 0.00 H new ATOM 641 N ILE A 41 4.604 -0.902 -39.040 1.00 0.00 N ATOM 642 CA ILE A 41 4.280 -2.309 -39.171 1.00 0.00 C ATOM 643 C ILE A 41 3.608 -2.813 -37.884 1.00 0.00 C ATOM 644 O ILE A 41 3.899 -2.318 -36.781 1.00 0.00 O ATOM 645 CB ILE A 41 5.586 -3.189 -39.480 1.00 0.00 C ATOM 646 CG1 ILE A 41 6.004 -3.176 -40.965 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.479 -4.627 -38.993 1.00 0.00 C ATOM 648 CD1 ILE A 41 6.565 -1.883 -41.469 1.00 0.00 C ATOM 0 H ILE A 41 5.140 -0.687 -38.199 1.00 0.00 H new ATOM 0 HA ILE A 41 3.594 -2.417 -40.011 1.00 0.00 H new ATOM 0 HB ILE A 41 6.369 -2.694 -38.905 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.746 -3.959 -41.122 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.135 -3.435 -41.570 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.397 -5.163 -39.236 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.328 -4.635 -37.913 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.635 -5.114 -39.481 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.825 -1.985 -42.523 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.821 -1.094 -41.354 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.457 -1.626 -40.898 1.00 0.00 H new ATOM 660 N VAL A 42 2.686 -3.735 -38.045 1.00 0.00 N ATOM 661 CA VAL A 42 2.056 -4.435 -36.952 1.00 0.00 C ATOM 662 C VAL A 42 1.573 -5.781 -37.497 1.00 0.00 C ATOM 663 O VAL A 42 1.252 -5.891 -38.688 1.00 0.00 O ATOM 664 CB VAL A 42 0.885 -3.617 -36.312 1.00 0.00 C ATOM 665 CG1 VAL A 42 -0.223 -3.394 -37.299 1.00 0.00 C ATOM 666 CG2 VAL A 42 0.362 -4.270 -35.037 1.00 0.00 C ATOM 0 H VAL A 42 2.346 -4.025 -38.962 1.00 0.00 H new ATOM 0 HA VAL A 42 2.774 -4.582 -36.145 1.00 0.00 H new ATOM 0 HB VAL A 42 1.289 -2.644 -36.032 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.022 -2.823 -36.826 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.160 -2.841 -38.157 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.612 -4.356 -37.632 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.449 -3.669 -34.627 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.007 -5.270 -35.265 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.168 -4.339 -34.306 1.00 0.00 H new ATOM 676 N ALA A 43 1.606 -6.793 -36.682 1.00 0.00 N ATOM 677 CA ALA A 43 1.191 -8.110 -37.086 1.00 0.00 C ATOM 678 C ALA A 43 -0.322 -8.204 -37.259 1.00 0.00 C ATOM 679 O ALA A 43 -1.095 -7.652 -36.470 1.00 0.00 O ATOM 680 CB ALA A 43 1.681 -9.152 -36.094 1.00 0.00 C ATOM 0 H ALA A 43 1.922 -6.732 -35.714 1.00 0.00 H new ATOM 0 HA ALA A 43 1.642 -8.309 -38.058 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.357 -10.142 -36.416 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.770 -9.124 -36.045 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.268 -8.938 -35.108 1.00 0.00 H new ATOM 686 N ASP A 44 -0.720 -8.912 -38.300 1.00 0.00 N ATOM 687 CA ASP A 44 -2.126 -9.197 -38.617 1.00 0.00 C ATOM 688 C ASP A 44 -2.548 -10.346 -37.693 1.00 0.00 C ATOM 689 O ASP A 44 -1.767 -10.764 -36.816 1.00 0.00 O ATOM 690 CB ASP A 44 -2.191 -9.689 -40.081 1.00 0.00 C ATOM 691 CG ASP A 44 -3.566 -9.672 -40.744 1.00 0.00 C ATOM 692 OD1 ASP A 44 -4.427 -10.466 -40.363 1.00 0.00 O ATOM 693 OD2 ASP A 44 -3.744 -8.930 -41.708 1.00 0.00 O ATOM 0 H ASP A 44 -0.067 -9.319 -38.970 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.766 -8.324 -38.488 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.517 -9.075 -40.678 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.808 -10.709 -40.116 1.00 0.00 H new ATOM 698 N GLU A 45 -3.688 -10.921 -37.915 1.00 0.00 N ATOM 699 CA GLU A 45 -4.132 -12.009 -37.072 1.00 0.00 C ATOM 700 C GLU A 45 -3.416 -13.254 -37.525 1.00 0.00 C ATOM 701 O GLU A 45 -3.207 -14.181 -36.766 1.00 0.00 O ATOM 702 CB GLU A 45 -5.649 -12.218 -37.112 1.00 0.00 C ATOM 703 CG GLU A 45 -6.182 -12.822 -38.392 1.00 0.00 C ATOM 704 CD GLU A 45 -7.660 -13.071 -38.315 1.00 0.00 C ATOM 705 OE1 GLU A 45 -8.449 -12.159 -38.607 1.00 0.00 O ATOM 706 OE2 GLU A 45 -8.063 -14.189 -37.933 1.00 0.00 O ATOM 0 H GLU A 45 -4.331 -10.665 -38.664 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.895 -11.769 -36.035 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.933 -12.862 -36.279 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.137 -11.256 -36.952 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.969 -12.154 -39.226 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.665 -13.760 -38.595 1.00 0.00 H new ATOM 713 N TYR A 46 -2.990 -13.222 -38.785 1.00 0.00 N ATOM 714 CA TYR A 46 -2.236 -14.304 -39.394 1.00 0.00 C ATOM 715 C TYR A 46 -0.812 -14.292 -38.836 1.00 0.00 C ATOM 716 O TYR A 46 -0.035 -15.229 -39.016 1.00 0.00 O ATOM 717 CB TYR A 46 -2.153 -14.103 -40.910 1.00 0.00 C ATOM 718 CG TYR A 46 -3.458 -13.777 -41.603 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.652 -14.389 -41.244 1.00 0.00 C ATOM 720 CD2 TYR A 46 -3.481 -12.856 -42.632 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.830 -14.084 -41.896 1.00 0.00 C ATOM 722 CE2 TYR A 46 -4.653 -12.544 -43.287 1.00 0.00 C ATOM 723 CZ TYR A 46 -5.823 -13.158 -42.918 1.00 0.00 C ATOM 724 OH TYR A 46 -6.993 -12.858 -43.588 1.00 0.00 O ATOM 0 H TYR A 46 -3.162 -12.437 -39.413 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.734 -15.248 -39.174 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.445 -13.299 -41.113 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.743 -15.009 -41.356 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.659 -15.114 -40.443 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.563 -12.371 -42.929 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.752 -14.568 -41.607 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.650 -11.819 -44.088 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.812 -12.186 -44.278 1.00 0.00 H new ATOM 734 N GLY A 47 -0.479 -13.197 -38.179 1.00 0.00 N ATOM 735 CA GLY A 47 0.837 -13.030 -37.625 1.00 0.00 C ATOM 736 C GLY A 47 1.789 -12.453 -38.634 1.00 0.00 C ATOM 737 O GLY A 47 2.996 -12.519 -38.470 1.00 0.00 O ATOM 0 H GLY A 47 -1.109 -12.411 -38.019 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.786 -12.375 -36.755 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.212 -13.993 -37.278 1.00 0.00 H new ATOM 741 N ILE A 48 1.251 -11.900 -39.699 1.00 0.00 N ATOM 742 CA ILE A 48 2.072 -11.310 -40.720 1.00 0.00 C ATOM 743 C ILE A 48 2.288 -9.854 -40.404 1.00 0.00 C ATOM 744 O ILE A 48 1.322 -9.143 -40.123 1.00 0.00 O ATOM 745 CB ILE A 48 1.488 -11.503 -42.178 1.00 0.00 C ATOM 746 CG1 ILE A 48 1.871 -12.875 -42.743 1.00 0.00 C ATOM 747 CG2 ILE A 48 1.943 -10.406 -43.143 1.00 0.00 C ATOM 748 CD1 ILE A 48 1.340 -14.051 -41.975 1.00 0.00 C ATOM 0 H ILE A 48 0.248 -11.849 -39.876 1.00 0.00 H new ATOM 0 HA ILE A 48 3.029 -11.832 -40.719 1.00 0.00 H new ATOM 0 HB ILE A 48 0.404 -11.436 -42.086 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.513 -12.940 -43.771 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.958 -12.945 -42.779 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.514 -10.587 -44.128 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.609 -9.436 -42.774 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.031 -10.412 -43.215 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.665 -14.975 -42.453 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.718 -14.019 -40.953 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.251 -14.014 -41.960 1.00 0.00 H new ATOM 760 N PRO A 49 3.544 -9.410 -40.365 1.00 0.00 N ATOM 761 CA PRO A 49 3.864 -8.015 -40.147 1.00 0.00 C ATOM 762 C PRO A 49 3.395 -7.186 -41.343 1.00 0.00 C ATOM 763 O PRO A 49 3.983 -7.231 -42.420 1.00 0.00 O ATOM 764 CB PRO A 49 5.399 -7.992 -40.026 1.00 0.00 C ATOM 765 CG PRO A 49 5.869 -9.252 -40.678 1.00 0.00 C ATOM 766 CD PRO A 49 4.755 -10.249 -40.532 1.00 0.00 C ATOM 0 HA PRO A 49 3.380 -7.595 -39.265 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.819 -7.115 -40.519 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.710 -7.950 -38.982 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.102 -9.081 -41.729 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.781 -9.617 -40.205 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.677 -10.892 -41.408 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.912 -10.900 -39.672 1.00 0.00 H new ATOM 774 N ARG A 50 2.300 -6.519 -41.171 1.00 0.00 N ATOM 775 CA ARG A 50 1.711 -5.712 -42.213 1.00 0.00 C ATOM 776 C ARG A 50 2.239 -4.301 -42.141 1.00 0.00 C ATOM 777 O ARG A 50 2.663 -3.848 -41.082 1.00 0.00 O ATOM 778 CB ARG A 50 0.217 -5.631 -41.999 1.00 0.00 C ATOM 779 CG ARG A 50 -0.548 -6.934 -42.057 1.00 0.00 C ATOM 780 CD ARG A 50 -0.717 -7.455 -43.464 1.00 0.00 C ATOM 781 NE ARG A 50 -1.898 -8.320 -43.533 1.00 0.00 N ATOM 782 CZ ARG A 50 -2.397 -8.882 -44.617 1.00 0.00 C ATOM 783 NH1 ARG A 50 -1.697 -8.921 -45.746 1.00 0.00 N ATOM 784 NH2 ARG A 50 -3.598 -9.441 -44.545 1.00 0.00 N ATOM 0 H ARG A 50 1.776 -6.513 -40.296 1.00 0.00 H new ATOM 0 HA ARG A 50 1.954 -6.166 -43.174 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.037 -5.173 -41.026 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.198 -4.959 -42.750 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.028 -7.682 -41.458 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.531 -6.793 -41.607 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.823 -6.623 -44.160 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.171 -8.011 -43.765 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.383 -8.506 -42.655 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.763 -8.513 -45.781 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.094 -9.359 -46.577 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.114 -9.430 -43.665 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.006 -9.882 -45.370 1.00 0.00 H new ATOM 798 N GLN A 51 2.189 -3.618 -43.253 1.00 0.00 N ATOM 799 CA GLN A 51 2.514 -2.215 -43.324 1.00 0.00 C ATOM 800 C GLN A 51 1.253 -1.432 -43.110 1.00 0.00 C ATOM 801 O GLN A 51 0.152 -1.963 -43.247 1.00 0.00 O ATOM 802 CB GLN A 51 3.106 -1.847 -44.669 1.00 0.00 C ATOM 803 CG GLN A 51 4.585 -2.098 -44.801 1.00 0.00 C ATOM 804 CD GLN A 51 5.421 -0.845 -44.608 1.00 0.00 C ATOM 805 OE1 GLN A 51 6.458 -0.682 -45.244 1.00 0.00 O ATOM 806 NE2 GLN A 51 5.052 -0.014 -43.666 1.00 0.00 N ATOM 0 H GLN A 51 1.918 -4.024 -44.148 1.00 0.00 H new ATOM 0 HA GLN A 51 3.256 -1.986 -42.559 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.586 -2.410 -45.445 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.913 -0.791 -44.858 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.887 -2.846 -44.068 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.790 -2.516 -45.786 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.185 -0.176 -43.154 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.632 0.795 -43.444 1.00 0.00 H new ATOM 815 N LEU A 52 1.406 -0.197 -42.774 1.00 0.00 N ATOM 816 CA LEU A 52 0.265 0.635 -42.418 1.00 0.00 C ATOM 817 C LEU A 52 0.219 1.935 -43.210 1.00 0.00 C ATOM 818 O LEU A 52 -0.863 2.480 -43.458 1.00 0.00 O ATOM 819 CB LEU A 52 0.405 0.948 -40.924 1.00 0.00 C ATOM 820 CG LEU A 52 0.544 -0.294 -40.044 1.00 0.00 C ATOM 821 CD1 LEU A 52 0.869 0.083 -38.644 1.00 0.00 C ATOM 822 CD2 LEU A 52 -0.720 -1.139 -40.107 1.00 0.00 C ATOM 0 H LEU A 52 2.308 0.278 -42.733 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.658 0.103 -42.648 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.276 1.586 -40.776 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.466 1.517 -40.598 1.00 0.00 H new ATOM 0 HG LEU A 52 1.370 -0.894 -40.426 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.963 -0.818 -38.037 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.810 0.633 -38.624 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.073 0.710 -38.242 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.602 -2.019 -39.474 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.568 -0.551 -39.756 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.897 -1.453 -41.136 1.00 0.00 H new ATOM 834 N ASN A 53 1.384 2.351 -43.682 1.00 0.00 N ATOM 835 CA ASN A 53 1.704 3.725 -44.247 1.00 0.00 C ATOM 836 C ASN A 53 0.912 4.142 -45.469 1.00 0.00 C ATOM 837 O ASN A 53 1.161 5.193 -46.066 1.00 0.00 O ATOM 838 CB ASN A 53 3.209 3.847 -44.502 1.00 0.00 C ATOM 839 CG ASN A 53 4.024 3.463 -43.285 1.00 0.00 C ATOM 840 OD1 ASN A 53 5.153 2.999 -43.394 1.00 0.00 O ATOM 841 ND2 ASN A 53 3.427 3.564 -42.123 1.00 0.00 N ATOM 0 H ASN A 53 2.197 1.735 -43.698 1.00 0.00 H new ATOM 0 HA ASN A 53 1.385 4.428 -43.477 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.487 3.209 -45.341 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.446 4.872 -44.789 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.903 3.252 -41.276 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.487 3.955 -42.065 1.00 0.00 H new ATOM 848 N GLU A 54 -0.021 3.356 -45.791 1.00 0.00 N ATOM 849 CA GLU A 54 -0.976 3.622 -46.829 1.00 0.00 C ATOM 850 C GLU A 54 -1.855 4.785 -46.360 1.00 0.00 C ATOM 851 O GLU A 54 -2.029 5.775 -47.056 1.00 0.00 O ATOM 852 CB GLU A 54 -1.837 2.395 -47.008 1.00 0.00 C ATOM 853 CG GLU A 54 -1.047 1.120 -47.182 1.00 0.00 C ATOM 854 CD GLU A 54 -1.953 -0.069 -47.290 1.00 0.00 C ATOM 855 OE1 GLU A 54 -2.536 -0.304 -48.373 1.00 0.00 O ATOM 856 OE2 GLU A 54 -2.164 -0.753 -46.286 1.00 0.00 O ATOM 0 H GLU A 54 -0.168 2.458 -45.330 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.482 3.868 -47.769 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.491 2.291 -46.142 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.479 2.536 -47.878 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.429 1.192 -48.077 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.371 0.990 -46.337 1.00 0.00 H new ATOM 863 N ASN A 55 -2.387 4.626 -45.150 1.00 0.00 N ATOM 864 CA ASN A 55 -3.201 5.662 -44.480 1.00 0.00 C ATOM 865 C ASN A 55 -3.403 5.359 -42.998 1.00 0.00 C ATOM 866 O ASN A 55 -4.106 6.097 -42.297 1.00 0.00 O ATOM 867 CB ASN A 55 -4.584 5.837 -45.135 1.00 0.00 C ATOM 868 CG ASN A 55 -5.622 4.730 -44.847 1.00 0.00 C ATOM 869 OD1 ASN A 55 -5.207 3.488 -44.776 1.00 0.00 O flip ATOM 870 ND2 ASN A 55 -6.818 5.005 -44.767 1.00 0.00 N flip ATOM 0 H ASN A 55 -2.271 3.776 -44.598 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.636 6.588 -44.589 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.000 6.790 -44.807 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.446 5.904 -46.214 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.123 5.977 -44.824 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.505 4.261 -44.643 1.00 0.00 H new ATOM 877 N SER A 56 -2.779 4.319 -42.504 1.00 0.00 N ATOM 878 CA SER A 56 -3.003 3.919 -41.170 1.00 0.00 C ATOM 879 C SER A 56 -1.689 3.771 -40.485 1.00 0.00 C ATOM 880 O SER A 56 -0.657 3.783 -41.133 1.00 0.00 O ATOM 881 CB SER A 56 -3.777 2.600 -41.113 1.00 0.00 C ATOM 882 OG SER A 56 -5.004 2.676 -41.827 1.00 0.00 O ATOM 0 H SER A 56 -2.114 3.744 -43.021 1.00 0.00 H new ATOM 0 HA SER A 56 -3.603 4.678 -40.668 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.164 1.801 -41.529 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.977 2.341 -40.073 1.00 0.00 H new ATOM 0 HG SER A 56 -4.824 2.894 -42.765 1.00 0.00 H new ATOM 888 N PHE A 57 -1.710 3.698 -39.198 1.00 0.00 N ATOM 889 CA PHE A 57 -0.530 3.485 -38.415 1.00 0.00 C ATOM 890 C PHE A 57 -0.967 2.751 -37.164 1.00 0.00 C ATOM 891 O PHE A 57 -2.158 2.712 -36.875 1.00 0.00 O ATOM 892 CB PHE A 57 0.147 4.811 -38.043 1.00 0.00 C ATOM 893 CG PHE A 57 0.483 5.721 -39.210 1.00 0.00 C ATOM 894 CD1 PHE A 57 -0.443 6.657 -39.678 1.00 0.00 C ATOM 895 CD2 PHE A 57 1.702 5.614 -39.859 1.00 0.00 C ATOM 896 CE1 PHE A 57 -0.152 7.454 -40.767 1.00 0.00 C ATOM 897 CE2 PHE A 57 1.998 6.418 -40.944 1.00 0.00 C ATOM 898 CZ PHE A 57 1.072 7.336 -41.400 1.00 0.00 C ATOM 0 H PHE A 57 -2.562 3.786 -38.645 1.00 0.00 H new ATOM 0 HA PHE A 57 0.201 2.910 -38.983 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.505 5.353 -37.358 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.066 4.590 -37.500 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.397 6.758 -39.182 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.429 4.894 -39.514 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.879 8.168 -41.124 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.955 6.328 -41.436 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.304 7.961 -42.250 1.00 0.00 H new ATOM 908 N ALA A 58 -0.050 2.171 -36.439 1.00 0.00 N ATOM 909 CA ALA A 58 -0.402 1.418 -35.250 1.00 0.00 C ATOM 910 C ALA A 58 0.406 1.886 -34.094 1.00 0.00 C ATOM 911 O ALA A 58 1.433 2.532 -34.278 1.00 0.00 O ATOM 912 CB ALA A 58 -0.201 -0.079 -35.451 1.00 0.00 C ATOM 0 H ALA A 58 0.949 2.201 -36.644 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.460 1.589 -35.050 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.475 -0.609 -34.539 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.829 -0.423 -36.273 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.845 -0.277 -35.685 1.00 0.00 H new ATOM 918 N ILE A 59 -0.034 1.564 -32.920 1.00 0.00 N ATOM 919 CA ILE A 59 0.635 1.969 -31.733 1.00 0.00 C ATOM 920 C ILE A 59 0.427 0.933 -30.622 1.00 0.00 C ATOM 921 O ILE A 59 -0.636 0.328 -30.523 1.00 0.00 O ATOM 922 CB ILE A 59 0.147 3.370 -31.303 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.941 3.864 -30.116 1.00 0.00 C ATOM 924 CG2 ILE A 59 -1.358 3.367 -30.993 1.00 0.00 C ATOM 925 CD1 ILE A 59 0.776 5.328 -29.882 1.00 0.00 C ATOM 0 H ILE A 59 -0.874 1.008 -32.760 1.00 0.00 H new ATOM 0 HA ILE A 59 1.706 2.031 -31.928 1.00 0.00 H new ATOM 0 HB ILE A 59 0.309 4.054 -32.136 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.630 3.320 -29.224 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.997 3.642 -30.272 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.670 4.368 -30.693 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.912 3.065 -31.882 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.561 2.666 -30.183 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.369 5.627 -29.017 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.113 5.877 -30.761 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.275 5.551 -29.696 1.00 0.00 H new ATOM 937 N THR A 60 1.438 0.735 -29.803 1.00 0.00 N ATOM 938 CA THR A 60 1.390 -0.258 -28.744 1.00 0.00 C ATOM 939 C THR A 60 1.035 0.406 -27.385 1.00 0.00 C ATOM 940 O THR A 60 1.415 -0.075 -26.316 1.00 0.00 O ATOM 941 CB THR A 60 2.747 -1.035 -28.662 1.00 0.00 C ATOM 942 OG1 THR A 60 2.627 -2.166 -27.776 1.00 0.00 O ATOM 943 CG2 THR A 60 3.887 -0.134 -28.178 1.00 0.00 C ATOM 0 H THR A 60 2.315 1.254 -29.850 1.00 0.00 H new ATOM 0 HA THR A 60 0.605 -0.977 -28.976 1.00 0.00 H new ATOM 0 HB THR A 60 2.983 -1.379 -29.669 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.680 -2.344 -27.599 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.812 -0.709 -28.134 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.010 0.700 -28.869 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.651 0.250 -27.185 1.00 0.00 H new ATOM 951 N THR A 61 0.228 1.430 -27.445 1.00 0.00 N ATOM 952 CA THR A 61 -0.140 2.197 -26.278 1.00 0.00 C ATOM 953 C THR A 61 -1.244 1.456 -25.480 1.00 0.00 C ATOM 954 O THR A 61 -1.772 0.437 -25.936 1.00 0.00 O ATOM 955 CB THR A 61 -0.641 3.603 -26.708 1.00 0.00 C ATOM 956 OG1 THR A 61 -0.733 4.452 -25.581 1.00 0.00 O ATOM 957 CG2 THR A 61 -2.011 3.517 -27.371 1.00 0.00 C ATOM 0 H THR A 61 -0.198 1.761 -28.311 1.00 0.00 H new ATOM 0 HA THR A 61 0.735 2.313 -25.638 1.00 0.00 H new ATOM 0 HB THR A 61 0.076 4.007 -27.423 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.540 5.375 -25.850 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.338 4.515 -27.662 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.948 2.884 -28.256 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.728 3.091 -26.670 1.00 0.00 H new ATOM 965 N SER A 62 -1.575 1.948 -24.308 1.00 0.00 N ATOM 966 CA SER A 62 -2.609 1.339 -23.508 1.00 0.00 C ATOM 967 C SER A 62 -3.634 2.396 -23.084 1.00 0.00 C ATOM 968 O SER A 62 -4.557 2.120 -22.306 1.00 0.00 O ATOM 969 CB SER A 62 -1.984 0.655 -22.300 1.00 0.00 C ATOM 970 OG SER A 62 -2.920 -0.118 -21.564 1.00 0.00 O ATOM 0 H SER A 62 -1.141 2.770 -23.888 1.00 0.00 H new ATOM 0 HA SER A 62 -3.131 0.584 -24.095 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.169 0.012 -22.633 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.547 1.410 -21.646 1.00 0.00 H new ATOM 0 HG SER A 62 -3.137 -0.932 -22.064 1.00 0.00 H new ATOM 976 N LEU A 63 -3.467 3.602 -23.584 1.00 0.00 N ATOM 977 CA LEU A 63 -4.426 4.653 -23.342 1.00 0.00 C ATOM 978 C LEU A 63 -5.654 4.459 -24.208 1.00 0.00 C ATOM 979 O LEU A 63 -5.715 3.526 -25.024 1.00 0.00 O ATOM 980 CB LEU A 63 -3.797 6.061 -23.484 1.00 0.00 C ATOM 981 CG LEU A 63 -2.934 6.334 -24.709 1.00 0.00 C ATOM 982 CD1 LEU A 63 -3.726 6.538 -25.944 1.00 0.00 C ATOM 983 CD2 LEU A 63 -1.952 7.459 -24.475 1.00 0.00 C ATOM 0 H LEU A 63 -2.673 3.877 -24.162 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.751 4.587 -22.304 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.606 6.791 -23.475 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.190 6.247 -22.598 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.351 5.427 -24.871 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.053 6.728 -26.780 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.317 5.645 -26.149 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.392 7.391 -25.813 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.359 7.617 -25.376 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.496 8.372 -24.233 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.292 7.200 -23.647 1.00 0.00 H new ATOM 995 N ALA A 64 -6.620 5.299 -24.046 1.00 0.00 N ATOM 996 CA ALA A 64 -7.842 5.111 -24.758 1.00 0.00 C ATOM 997 C ALA A 64 -7.813 5.754 -26.126 1.00 0.00 C ATOM 998 O ALA A 64 -6.925 6.543 -26.425 1.00 0.00 O ATOM 999 CB ALA A 64 -9.036 5.561 -23.952 1.00 0.00 C ATOM 0 H ALA A 64 -6.591 6.115 -23.434 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.948 4.038 -24.919 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.946 5.401 -24.530 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.088 4.987 -23.027 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.937 6.621 -23.716 1.00 0.00 H new ATOM 1005 N ALA A 65 -8.811 5.441 -26.931 1.00 0.00 N ATOM 1006 CA ALA A 65 -8.913 5.928 -28.295 1.00 0.00 C ATOM 1007 C ALA A 65 -8.910 7.446 -28.352 1.00 0.00 C ATOM 1008 O ALA A 65 -8.145 8.048 -29.115 1.00 0.00 O ATOM 1009 CB ALA A 65 -10.148 5.352 -28.971 1.00 0.00 C ATOM 0 H ALA A 65 -9.583 4.835 -26.653 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.032 5.588 -28.840 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.211 5.726 -29.993 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.080 4.264 -28.986 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.039 5.653 -28.419 1.00 0.00 H new ATOM 1015 N SER A 66 -9.692 8.057 -27.495 1.00 0.00 N ATOM 1016 CA SER A 66 -9.784 9.496 -27.449 1.00 0.00 C ATOM 1017 C SER A 66 -8.463 10.118 -26.950 1.00 0.00 C ATOM 1018 O SER A 66 -8.151 11.270 -27.250 1.00 0.00 O ATOM 1019 CB SER A 66 -10.959 9.897 -26.566 1.00 0.00 C ATOM 1020 OG SER A 66 -12.168 9.304 -27.042 1.00 0.00 O ATOM 0 H SER A 66 -10.279 7.575 -26.814 1.00 0.00 H new ATOM 0 HA SER A 66 -9.956 9.878 -28.455 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.773 9.583 -25.539 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.059 10.982 -26.555 1.00 0.00 H new ATOM 0 HG SER A 66 -12.913 9.570 -26.463 1.00 0.00 H new ATOM 1026 N GLU A 67 -7.655 9.312 -26.270 1.00 0.00 N ATOM 1027 CA GLU A 67 -6.407 9.776 -25.729 1.00 0.00 C ATOM 1028 C GLU A 67 -5.381 9.781 -26.830 1.00 0.00 C ATOM 1029 O GLU A 67 -4.588 10.704 -26.930 1.00 0.00 O ATOM 1030 CB GLU A 67 -5.958 8.899 -24.556 1.00 0.00 C ATOM 1031 CG GLU A 67 -6.816 9.029 -23.310 1.00 0.00 C ATOM 1032 CD GLU A 67 -6.552 10.310 -22.554 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -6.974 11.394 -23.011 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -5.889 10.256 -21.483 1.00 0.00 O ATOM 0 H GLU A 67 -7.855 8.329 -26.086 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.528 10.787 -25.341 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.959 7.857 -24.876 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.929 9.153 -24.302 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.868 8.988 -23.592 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.629 8.179 -22.654 1.00 0.00 H new ATOM 1041 N ILE A 68 -5.421 8.745 -27.688 1.00 0.00 N ATOM 1042 CA ILE A 68 -4.513 8.684 -28.840 1.00 0.00 C ATOM 1043 C ILE A 68 -4.756 9.887 -29.714 1.00 0.00 C ATOM 1044 O ILE A 68 -3.817 10.549 -30.144 1.00 0.00 O ATOM 1045 CB ILE A 68 -4.701 7.434 -29.738 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -5.128 6.216 -28.932 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -3.410 7.157 -30.478 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -5.011 4.898 -29.633 1.00 0.00 C ATOM 0 H ILE A 68 -6.060 7.955 -27.606 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.507 8.646 -28.422 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.499 7.638 -30.452 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.529 6.177 -28.022 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.165 6.352 -28.625 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.535 6.279 -31.112 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.153 8.017 -31.096 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.611 6.975 -29.760 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.341 4.101 -28.967 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.634 4.905 -30.527 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.972 4.727 -29.916 1.00 0.00 H new ATOM 1060 N GLU A 69 -6.035 10.173 -29.954 1.00 0.00 N ATOM 1061 CA GLU A 69 -6.420 11.321 -30.742 1.00 0.00 C ATOM 1062 C GLU A 69 -5.858 12.577 -30.146 1.00 0.00 C ATOM 1063 O GLU A 69 -5.211 13.341 -30.831 1.00 0.00 O ATOM 1064 CB GLU A 69 -7.919 11.477 -30.825 1.00 0.00 C ATOM 1065 CG GLU A 69 -8.640 10.382 -31.541 1.00 0.00 C ATOM 1066 CD GLU A 69 -10.105 10.675 -31.609 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -10.835 10.329 -30.659 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -10.550 11.301 -32.587 1.00 0.00 O ATOM 0 H GLU A 69 -6.817 9.617 -29.608 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.023 11.156 -31.744 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.316 11.549 -29.812 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.142 12.421 -31.322 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.238 10.272 -32.548 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.476 9.435 -31.028 1.00 0.00 H new ATOM 1075 N ASP A 70 -6.088 12.759 -28.855 1.00 0.00 N ATOM 1076 CA ASP A 70 -5.631 13.947 -28.129 1.00 0.00 C ATOM 1077 C ASP A 70 -4.138 14.138 -28.278 1.00 0.00 C ATOM 1078 O ASP A 70 -3.671 15.243 -28.568 1.00 0.00 O ATOM 1079 CB ASP A 70 -6.030 13.868 -26.657 1.00 0.00 C ATOM 1080 CG ASP A 70 -5.577 15.060 -25.852 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -6.254 16.119 -25.906 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -4.572 14.950 -25.108 1.00 0.00 O ATOM 0 H ASP A 70 -6.596 12.091 -28.276 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.120 14.817 -28.566 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.114 13.781 -26.586 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.608 12.962 -26.221 1.00 0.00 H new ATOM 1087 N LEU A 71 -3.419 13.039 -28.155 1.00 0.00 N ATOM 1088 CA LEU A 71 -1.976 13.000 -28.322 1.00 0.00 C ATOM 1089 C LEU A 71 -1.588 13.549 -29.677 1.00 0.00 C ATOM 1090 O LEU A 71 -0.760 14.432 -29.786 1.00 0.00 O ATOM 1091 CB LEU A 71 -1.459 11.556 -28.194 1.00 0.00 C ATOM 1092 CG LEU A 71 -0.767 11.168 -26.891 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -1.726 11.199 -25.719 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -0.125 9.804 -27.037 1.00 0.00 C ATOM 0 H LEU A 71 -3.827 12.131 -27.932 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.528 13.614 -27.541 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.303 10.882 -28.340 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.762 11.375 -29.012 1.00 0.00 H new ATOM 0 HG LEU A 71 0.011 11.903 -26.684 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.197 10.917 -24.809 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.131 12.205 -25.607 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.541 10.498 -25.897 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.368 9.532 -26.104 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.891 9.065 -27.272 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.611 9.832 -27.841 1.00 0.00 H new ATOM 1106 N ILE A 72 -2.249 13.075 -30.690 1.00 0.00 N ATOM 1107 CA ILE A 72 -1.939 13.448 -32.044 1.00 0.00 C ATOM 1108 C ILE A 72 -2.378 14.883 -32.336 1.00 0.00 C ATOM 1109 O ILE A 72 -1.625 15.667 -32.925 1.00 0.00 O ATOM 1110 CB ILE A 72 -2.622 12.475 -33.019 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -2.082 11.072 -32.793 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -2.409 12.902 -34.468 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -3.014 10.003 -33.253 1.00 0.00 C ATOM 0 H ILE A 72 -3.022 12.416 -30.604 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.858 13.395 -32.177 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.695 12.487 -32.828 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.132 10.967 -33.317 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.878 10.935 -31.731 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.904 12.194 -35.133 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.829 13.896 -34.620 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.342 12.921 -34.688 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.569 9.026 -33.063 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.956 10.084 -32.711 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.199 10.116 -34.321 1.00 0.00 H new ATOM 1125 N ARG A 73 -3.565 15.238 -31.877 1.00 0.00 N ATOM 1126 CA ARG A 73 -4.126 16.543 -32.171 1.00 0.00 C ATOM 1127 C ARG A 73 -3.335 17.656 -31.505 1.00 0.00 C ATOM 1128 O ARG A 73 -3.216 18.753 -32.058 1.00 0.00 O ATOM 1129 CB ARG A 73 -5.615 16.636 -31.811 1.00 0.00 C ATOM 1130 CG ARG A 73 -6.464 15.542 -32.440 1.00 0.00 C ATOM 1131 CD ARG A 73 -7.953 15.816 -32.307 1.00 0.00 C ATOM 1132 NE ARG A 73 -8.383 16.923 -33.172 1.00 0.00 N ATOM 1133 CZ ARG A 73 -9.647 17.160 -33.551 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -10.643 16.453 -33.036 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -9.905 18.115 -34.447 1.00 0.00 N ATOM 0 H ARG A 73 -4.158 14.641 -31.300 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.049 16.674 -33.250 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.722 16.589 -30.727 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.996 17.607 -32.127 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.207 15.448 -33.495 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.229 14.588 -31.969 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.513 14.916 -32.563 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.188 16.053 -31.269 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.663 17.561 -33.511 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.449 15.725 -32.348 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.603 16.637 -33.327 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.141 18.663 -34.842 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.866 18.297 -34.736 1.00 0.00 H new ATOM 1149 N LEU A 74 -2.743 17.379 -30.355 1.00 0.00 N ATOM 1150 CA LEU A 74 -1.967 18.397 -29.677 1.00 0.00 C ATOM 1151 C LEU A 74 -0.589 18.554 -30.342 1.00 0.00 C ATOM 1152 O LEU A 74 0.086 19.577 -30.181 1.00 0.00 O ATOM 1153 CB LEU A 74 -1.896 18.141 -28.144 1.00 0.00 C ATOM 1154 CG LEU A 74 -1.045 16.976 -27.624 1.00 0.00 C ATOM 1155 CD1 LEU A 74 0.394 17.403 -27.433 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -1.608 16.445 -26.326 1.00 0.00 C ATOM 0 H LEU A 74 -2.784 16.477 -29.881 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.475 19.355 -29.783 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.527 19.053 -27.675 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.915 17.989 -27.788 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.072 16.180 -28.368 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.978 16.560 -27.064 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.804 17.738 -28.386 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.439 18.219 -26.712 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.991 15.619 -25.973 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.613 17.239 -25.580 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.627 16.093 -26.488 1.00 0.00 H new ATOM 1168 N LYS A 75 -0.193 17.550 -31.134 1.00 0.00 N ATOM 1169 CA LYS A 75 1.060 17.603 -31.888 1.00 0.00 C ATOM 1170 C LYS A 75 0.872 18.396 -33.165 1.00 0.00 C ATOM 1171 O LYS A 75 1.830 18.756 -33.833 1.00 0.00 O ATOM 1172 CB LYS A 75 1.624 16.201 -32.212 1.00 0.00 C ATOM 1173 CG LYS A 75 2.599 15.620 -31.179 1.00 0.00 C ATOM 1174 CD LYS A 75 1.990 15.487 -29.813 1.00 0.00 C ATOM 1175 CE LYS A 75 2.932 14.845 -28.812 1.00 0.00 C ATOM 1176 NZ LYS A 75 4.152 15.651 -28.579 1.00 0.00 N ATOM 0 H LYS A 75 -0.725 16.690 -31.268 1.00 0.00 H new ATOM 0 HA LYS A 75 1.790 18.101 -31.250 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.788 15.510 -32.324 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.130 16.247 -33.176 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.938 14.641 -31.517 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.480 16.259 -31.118 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.700 16.473 -29.452 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.079 14.892 -29.882 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.409 14.703 -27.866 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.218 13.856 -29.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.712 15.221 -27.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.720 15.681 -29.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.883 16.618 -28.308 1.00 0.00 H new ATOM 1190 N CYS A 76 -0.367 18.710 -33.477 1.00 0.00 N ATOM 1191 CA CYS A 76 -0.679 19.485 -34.656 1.00 0.00 C ATOM 1192 C CYS A 76 -0.300 20.955 -34.436 1.00 0.00 C ATOM 1193 O CYS A 76 -0.314 21.762 -35.357 1.00 0.00 O ATOM 1194 CB CYS A 76 -2.152 19.343 -34.997 1.00 0.00 C ATOM 1195 SG CYS A 76 -2.686 20.167 -36.515 1.00 0.00 S ATOM 0 H CYS A 76 -1.180 18.437 -32.925 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.098 19.109 -35.498 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.387 18.282 -35.079 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.738 19.736 -34.166 1.00 0.00 H new ATOM 0 HG CYS A 76 -3.958 19.968 -36.692 1.00 0.00 H new ATOM 1201 N LEU A 77 0.044 21.288 -33.207 1.00 0.00 N ATOM 1202 CA LEU A 77 0.496 22.615 -32.875 1.00 0.00 C ATOM 1203 C LEU A 77 1.962 22.769 -33.285 1.00 0.00 C ATOM 1204 O LEU A 77 2.488 23.881 -33.376 1.00 0.00 O ATOM 1205 CB LEU A 77 0.325 22.872 -31.372 1.00 0.00 C ATOM 1206 CG LEU A 77 -1.096 22.677 -30.812 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -1.146 22.992 -29.328 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -2.107 23.519 -31.578 1.00 0.00 C ATOM 0 H LEU A 77 0.016 20.644 -32.416 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.103 23.348 -33.415 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.001 22.210 -30.831 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.641 23.893 -31.160 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.363 21.628 -30.943 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.161 22.846 -28.959 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.466 22.329 -28.792 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.846 24.027 -29.166 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.102 23.362 -31.161 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.841 24.573 -31.494 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.103 23.226 -32.628 1.00 0.00 H new ATOM 1220 N ASP A 78 2.615 21.635 -33.536 1.00 0.00 N ATOM 1221 CA ASP A 78 4.020 21.611 -33.963 1.00 0.00 C ATOM 1222 C ASP A 78 4.100 21.920 -35.418 1.00 0.00 C ATOM 1223 O ASP A 78 4.948 22.684 -35.882 1.00 0.00 O ATOM 1224 CB ASP A 78 4.622 20.235 -33.751 1.00 0.00 C ATOM 1225 CG ASP A 78 6.108 20.199 -34.068 1.00 0.00 C ATOM 1226 OD1 ASP A 78 6.901 20.780 -33.294 1.00 0.00 O ATOM 1227 OD2 ASP A 78 6.499 19.630 -35.104 1.00 0.00 O ATOM 0 H ASP A 78 2.192 20.711 -33.451 1.00 0.00 H new ATOM 0 HA ASP A 78 4.566 22.348 -33.374 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.466 19.928 -32.717 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.101 19.513 -34.380 1.00 0.00 H new ATOM 1232 N LEU A 79 3.216 21.316 -36.133 1.00 0.00 N ATOM 1233 CA LEU A 79 3.143 21.495 -37.566 1.00 0.00 C ATOM 1234 C LEU A 79 2.459 22.833 -37.891 1.00 0.00 C ATOM 1235 O LEU A 79 1.797 23.415 -37.014 1.00 0.00 O ATOM 1236 CB LEU A 79 2.423 20.272 -38.190 1.00 0.00 C ATOM 1237 CG LEU A 79 0.972 20.028 -37.779 1.00 0.00 C ATOM 1238 CD1 LEU A 79 0.020 20.921 -38.534 1.00 0.00 C ATOM 1239 CD2 LEU A 79 0.601 18.575 -37.926 1.00 0.00 C ATOM 0 H LEU A 79 2.515 20.680 -35.753 1.00 0.00 H new ATOM 0 HA LEU A 79 4.140 21.544 -38.004 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.453 20.380 -39.274 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.998 19.380 -37.943 1.00 0.00 H new ATOM 0 HG LEU A 79 0.884 20.286 -36.724 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.002 20.717 -38.213 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.262 21.964 -38.332 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.110 20.728 -39.603 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.437 18.432 -37.626 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.723 18.272 -38.966 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.248 17.968 -37.293 1.00 0.00 H new ATOM 1251 N PRO A 80 2.653 23.364 -39.120 1.00 0.00 N ATOM 1252 CA PRO A 80 2.005 24.596 -39.552 1.00 0.00 C ATOM 1253 C PRO A 80 0.474 24.529 -39.414 1.00 0.00 C ATOM 1254 O PRO A 80 -0.094 25.109 -38.474 1.00 0.00 O ATOM 1255 CB PRO A 80 2.421 24.770 -41.022 1.00 0.00 C ATOM 1256 CG PRO A 80 3.155 23.530 -41.404 1.00 0.00 C ATOM 1257 CD PRO A 80 3.571 22.837 -40.138 1.00 0.00 C ATOM 0 HA PRO A 80 2.309 25.439 -38.932 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.548 24.915 -41.658 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.054 25.649 -41.145 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.520 22.879 -42.005 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.027 23.773 -42.011 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.485 21.754 -40.230 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.610 23.054 -39.888 1.00 0.00 H new ATOM 1265 N ASP A 81 -0.182 23.797 -40.302 1.00 0.00 N ATOM 1266 CA ASP A 81 -1.637 23.629 -40.249 1.00 0.00 C ATOM 1267 C ASP A 81 -2.091 22.551 -41.194 1.00 0.00 C ATOM 1268 O ASP A 81 -1.611 22.468 -42.323 1.00 0.00 O ATOM 1269 CB ASP A 81 -2.382 24.938 -40.570 1.00 0.00 C ATOM 1270 CG ASP A 81 -3.889 24.753 -40.649 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -4.578 24.853 -39.602 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -4.407 24.514 -41.746 1.00 0.00 O ATOM 0 H ASP A 81 0.268 23.305 -41.074 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.879 23.339 -39.227 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.151 25.679 -39.805 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.019 25.334 -41.518 1.00 0.00 H new ATOM 1277 N ILE A 82 -2.980 21.722 -40.715 1.00 0.00 N ATOM 1278 CA ILE A 82 -3.601 20.693 -41.485 1.00 0.00 C ATOM 1279 C ILE A 82 -4.913 20.329 -40.837 1.00 0.00 C ATOM 1280 O ILE A 82 -4.962 19.982 -39.659 1.00 0.00 O ATOM 1281 CB ILE A 82 -2.713 19.413 -41.685 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -3.517 18.291 -42.368 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -2.103 18.935 -40.383 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -2.726 17.031 -42.620 1.00 0.00 C ATOM 0 H ILE A 82 -3.298 21.751 -39.746 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.756 21.092 -42.487 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.887 19.689 -42.340 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.380 18.048 -41.748 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.902 18.661 -43.318 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.497 18.048 -40.569 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.475 19.722 -39.965 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.897 18.691 -39.677 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.364 16.291 -43.103 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.878 17.257 -43.267 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.363 16.633 -41.672 1.00 0.00 H new ATOM 1296 N ASP A 83 -5.968 20.484 -41.564 1.00 0.00 N ATOM 1297 CA ASP A 83 -7.257 20.086 -41.071 1.00 0.00 C ATOM 1298 C ASP A 83 -7.475 18.641 -41.468 1.00 0.00 C ATOM 1299 O ASP A 83 -7.810 18.345 -42.619 1.00 0.00 O ATOM 1300 CB ASP A 83 -8.363 20.982 -41.632 1.00 0.00 C ATOM 1301 CG ASP A 83 -9.694 20.733 -40.960 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -9.865 21.167 -39.799 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -10.596 20.133 -41.574 1.00 0.00 O ATOM 0 H ASP A 83 -5.970 20.883 -42.503 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.291 20.188 -39.986 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.082 22.027 -41.503 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.461 20.808 -42.704 1.00 0.00 H new ATOM 1308 N PHE A 84 -7.183 17.746 -40.556 1.00 0.00 N ATOM 1309 CA PHE A 84 -7.266 16.321 -40.825 1.00 0.00 C ATOM 1310 C PHE A 84 -8.309 15.661 -39.943 1.00 0.00 C ATOM 1311 O PHE A 84 -8.972 16.319 -39.142 1.00 0.00 O ATOM 1312 CB PHE A 84 -5.884 15.631 -40.620 1.00 0.00 C ATOM 1313 CG PHE A 84 -5.327 15.684 -39.207 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -4.601 16.776 -38.780 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -5.529 14.634 -38.318 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -4.085 16.832 -37.500 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -5.015 14.684 -37.036 1.00 0.00 C ATOM 1318 CZ PHE A 84 -4.292 15.784 -36.626 1.00 0.00 C ATOM 0 H PHE A 84 -6.882 17.977 -39.609 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.564 16.201 -41.867 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.972 14.586 -40.918 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.163 16.095 -41.293 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.433 17.600 -39.457 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.094 13.769 -38.633 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.520 17.696 -37.183 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.180 13.862 -36.356 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.889 15.825 -35.625 1.00 0.00 H new ATOM 1328 N ASP A 85 -8.454 14.387 -40.113 1.00 0.00 N ATOM 1329 CA ASP A 85 -9.323 13.565 -39.302 1.00 0.00 C ATOM 1330 C ASP A 85 -8.608 12.265 -39.084 1.00 0.00 C ATOM 1331 O ASP A 85 -7.809 11.864 -39.926 1.00 0.00 O ATOM 1332 CB ASP A 85 -10.658 13.306 -40.025 1.00 0.00 C ATOM 1333 CG ASP A 85 -11.603 12.397 -39.257 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -12.381 12.911 -38.416 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -11.625 11.164 -39.510 1.00 0.00 O ATOM 0 H ASP A 85 -7.962 13.865 -40.838 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.548 14.062 -38.358 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.153 14.260 -40.207 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.453 12.862 -40.999 1.00 0.00 H new ATOM 1340 N LEU A 86 -8.806 11.648 -37.966 1.00 0.00 N ATOM 1341 CA LEU A 86 -8.234 10.367 -37.732 1.00 0.00 C ATOM 1342 C LEU A 86 -9.277 9.480 -37.106 1.00 0.00 C ATOM 1343 O LEU A 86 -10.206 9.956 -36.464 1.00 0.00 O ATOM 1344 CB LEU A 86 -7.015 10.440 -36.809 1.00 0.00 C ATOM 1345 CG LEU A 86 -7.297 10.623 -35.305 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -6.107 10.229 -34.499 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -7.667 12.050 -34.975 1.00 0.00 C ATOM 0 H LEU A 86 -9.365 12.015 -37.196 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.900 9.965 -38.688 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.435 9.526 -36.938 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.386 11.266 -37.140 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.141 9.980 -35.057 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.324 10.365 -33.439 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.869 9.183 -34.690 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.257 10.851 -34.778 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.858 12.138 -33.906 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.847 12.712 -35.253 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.563 12.331 -35.528 1.00 0.00 H new ATOM 1359 N ASN A 87 -9.145 8.231 -37.305 1.00 0.00 N ATOM 1360 CA ASN A 87 -10.012 7.285 -36.716 1.00 0.00 C ATOM 1361 C ASN A 87 -9.199 6.276 -35.960 1.00 0.00 C ATOM 1362 O ASN A 87 -8.420 5.526 -36.561 1.00 0.00 O ATOM 1363 CB ASN A 87 -10.826 6.589 -37.799 1.00 0.00 C ATOM 1364 CG ASN A 87 -11.728 5.506 -37.264 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -11.221 4.321 -37.180 1.00 0.00 O flip ATOM 1366 ND2 ASN A 87 -12.888 5.747 -36.932 1.00 0.00 N flip ATOM 0 H ASN A 87 -8.418 7.824 -37.893 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.694 7.789 -36.031 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.430 7.330 -38.322 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.146 6.156 -38.533 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -13.255 6.695 -37.012 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -13.483 4.998 -36.577 1.00 0.00 H new ATOM 1373 N ILE A 88 -9.335 6.278 -34.664 1.00 0.00 N ATOM 1374 CA ILE A 88 -8.687 5.290 -33.850 1.00 0.00 C ATOM 1375 C ILE A 88 -9.547 4.051 -33.806 1.00 0.00 C ATOM 1376 O ILE A 88 -10.761 4.137 -33.623 1.00 0.00 O ATOM 1377 CB ILE A 88 -8.464 5.769 -32.405 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -7.569 7.012 -32.368 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -7.853 4.636 -31.576 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -6.190 6.777 -32.920 1.00 0.00 C ATOM 0 H ILE A 88 -9.892 6.957 -34.146 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.712 5.091 -34.296 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.427 6.045 -31.976 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.047 7.811 -32.935 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.485 7.358 -31.338 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.696 4.978 -30.553 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.530 3.781 -31.573 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.898 4.341 -32.011 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.613 7.700 -32.862 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.693 6.001 -32.339 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.264 6.460 -33.960 1.00 0.00 H new ATOM 1392 N MET A 89 -8.938 2.931 -33.988 1.00 0.00 N ATOM 1393 CA MET A 89 -9.603 1.678 -33.905 1.00 0.00 C ATOM 1394 C MET A 89 -8.599 0.690 -33.364 1.00 0.00 C ATOM 1395 O MET A 89 -7.410 0.916 -33.446 1.00 0.00 O ATOM 1396 CB MET A 89 -10.132 1.217 -35.295 1.00 0.00 C ATOM 1397 CG MET A 89 -9.067 0.638 -36.237 1.00 0.00 C ATOM 1398 SD MET A 89 -9.692 0.264 -37.898 1.00 0.00 S ATOM 1399 CE MET A 89 -9.806 1.888 -38.622 1.00 0.00 C ATOM 0 H MET A 89 -7.944 2.859 -34.203 1.00 0.00 H new ATOM 0 HA MET A 89 -10.474 1.754 -33.254 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.906 0.465 -35.141 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.606 2.067 -35.786 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.243 1.347 -36.319 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.661 -0.273 -35.797 1.00 0.00 H new ATOM 0 HE1 MET A 89 -10.853 2.180 -38.697 1.00 0.00 H new ATOM 0 HE2 MET A 89 -9.273 2.604 -37.996 1.00 0.00 H new ATOM 0 HE3 MET A 89 -9.361 1.875 -39.617 1.00 0.00 H new ATOM 1409 N THR A 90 -9.049 -0.321 -32.754 1.00 0.00 N ATOM 1410 CA THR A 90 -8.211 -1.389 -32.327 1.00 0.00 C ATOM 1411 C THR A 90 -7.669 -2.152 -33.550 1.00 0.00 C ATOM 1412 O THR A 90 -8.349 -2.251 -34.568 1.00 0.00 O ATOM 1413 CB THR A 90 -9.062 -2.293 -31.448 1.00 0.00 C ATOM 1414 OG1 THR A 90 -10.444 -2.047 -31.791 1.00 0.00 O ATOM 1415 CG2 THR A 90 -8.862 -1.962 -29.995 1.00 0.00 C ATOM 0 H THR A 90 -10.034 -0.448 -32.524 1.00 0.00 H new ATOM 0 HA THR A 90 -7.350 -1.022 -31.769 1.00 0.00 H new ATOM 0 HB THR A 90 -8.783 -3.334 -31.608 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.924 -2.900 -31.846 1.00 0.00 H new ATOM 0 HG21 THR A 90 -9.480 -2.620 -29.384 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.813 -2.100 -29.731 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.148 -0.926 -29.815 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.441 -2.646 -33.450 1.00 0.00 N ATOM 1424 CA VAL A 91 -5.788 -3.430 -34.520 1.00 0.00 C ATOM 1425 C VAL A 91 -6.694 -4.583 -34.977 1.00 0.00 C ATOM 1426 O VAL A 91 -6.857 -4.833 -36.182 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.443 -4.013 -34.004 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -3.826 -4.987 -34.998 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.456 -2.917 -33.716 1.00 0.00 C ATOM 0 H VAL A 91 -5.857 -2.519 -32.623 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.603 -2.766 -35.365 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.671 -4.552 -33.084 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.888 -5.370 -34.597 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.513 -5.816 -35.169 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.635 -4.473 -35.940 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.524 -3.352 -33.356 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.264 -2.351 -34.628 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.863 -2.252 -32.955 1.00 0.00 H new ATOM 1439 N ASP A 92 -7.316 -5.229 -34.008 1.00 0.00 N ATOM 1440 CA ASP A 92 -8.220 -6.360 -34.238 1.00 0.00 C ATOM 1441 C ASP A 92 -9.408 -5.930 -35.099 1.00 0.00 C ATOM 1442 O ASP A 92 -9.866 -6.659 -35.971 1.00 0.00 O ATOM 1443 CB ASP A 92 -8.721 -6.878 -32.891 1.00 0.00 C ATOM 1444 CG ASP A 92 -9.562 -8.124 -33.005 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -8.999 -9.219 -33.210 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -10.794 -8.050 -32.850 1.00 0.00 O ATOM 0 H ASP A 92 -7.212 -4.986 -33.023 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.681 -7.148 -34.763 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.865 -7.084 -32.248 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.305 -6.097 -32.404 1.00 0.00 H new ATOM 1451 N ASP A 93 -9.836 -4.705 -34.886 1.00 0.00 N ATOM 1452 CA ASP A 93 -10.979 -4.124 -35.585 1.00 0.00 C ATOM 1453 C ASP A 93 -10.550 -3.487 -36.893 1.00 0.00 C ATOM 1454 O ASP A 93 -11.375 -3.045 -37.699 1.00 0.00 O ATOM 1455 CB ASP A 93 -11.713 -3.111 -34.693 1.00 0.00 C ATOM 1456 CG ASP A 93 -12.475 -3.769 -33.569 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -11.870 -4.065 -32.513 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -13.690 -4.007 -33.706 1.00 0.00 O ATOM 0 H ASP A 93 -9.400 -4.071 -34.216 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.674 -4.930 -35.818 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -10.990 -2.411 -34.275 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.404 -2.530 -35.303 1.00 0.00 H new ATOM 1463 N TYR A 94 -9.268 -3.459 -37.109 1.00 0.00 N ATOM 1464 CA TYR A 94 -8.706 -2.929 -38.310 1.00 0.00 C ATOM 1465 C TYR A 94 -8.499 -4.013 -39.336 1.00 0.00 C ATOM 1466 O TYR A 94 -9.059 -3.957 -40.431 1.00 0.00 O ATOM 1467 CB TYR A 94 -7.392 -2.237 -38.015 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.659 -1.749 -39.239 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -7.130 -0.668 -39.961 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -5.486 -2.360 -39.656 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -6.461 -0.201 -41.061 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -4.806 -1.901 -40.768 1.00 0.00 C ATOM 1473 CZ TYR A 94 -5.303 -0.815 -41.466 1.00 0.00 C ATOM 1474 OH TYR A 94 -4.634 -0.329 -42.561 1.00 0.00 O ATOM 0 H TYR A 94 -8.577 -3.809 -36.446 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.408 -2.202 -38.718 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.581 -1.389 -37.357 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.747 -2.926 -37.470 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.044 -0.182 -39.651 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.099 -3.205 -39.105 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.844 0.648 -41.608 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.896 -2.385 -41.089 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.747 0.643 -42.609 1.00 0.00 H new ATOM 1484 N PHE A 95 -7.708 -5.001 -38.975 1.00 0.00 N ATOM 1485 CA PHE A 95 -7.363 -6.096 -39.885 1.00 0.00 C ATOM 1486 C PHE A 95 -8.546 -6.919 -40.321 1.00 0.00 C ATOM 1487 O PHE A 95 -8.511 -7.566 -41.342 1.00 0.00 O ATOM 1488 CB PHE A 95 -6.283 -6.974 -39.327 1.00 0.00 C ATOM 1489 CG PHE A 95 -4.934 -6.350 -39.413 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.451 -5.899 -40.632 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -4.143 -6.217 -38.298 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -3.209 -5.329 -40.726 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -2.894 -5.645 -38.389 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.427 -5.201 -39.606 1.00 0.00 C ATOM 0 H PHE A 95 -7.283 -5.077 -38.051 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.980 -5.607 -40.780 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.508 -7.202 -38.285 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.276 -7.921 -39.866 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.061 -5.998 -41.518 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.504 -6.564 -37.341 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.845 -4.980 -41.681 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.280 -5.545 -37.506 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.447 -4.753 -39.679 1.00 0.00 H new ATOM 1504 N ARG A 96 -9.595 -6.859 -39.561 1.00 0.00 N ATOM 1505 CA ARG A 96 -10.836 -7.526 -39.919 1.00 0.00 C ATOM 1506 C ARG A 96 -11.456 -6.923 -41.204 1.00 0.00 C ATOM 1507 O ARG A 96 -12.411 -7.468 -41.755 1.00 0.00 O ATOM 1508 CB ARG A 96 -11.816 -7.520 -38.730 1.00 0.00 C ATOM 1509 CG ARG A 96 -12.279 -6.145 -38.238 1.00 0.00 C ATOM 1510 CD ARG A 96 -13.490 -5.604 -38.998 1.00 0.00 C ATOM 1511 NE ARG A 96 -14.661 -6.470 -38.818 1.00 0.00 N ATOM 1512 CZ ARG A 96 -15.944 -6.077 -38.831 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -16.272 -4.807 -39.070 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -16.898 -6.969 -38.609 1.00 0.00 N ATOM 0 H ARG A 96 -9.629 -6.352 -38.676 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.613 -8.568 -40.149 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.697 -8.097 -39.010 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.345 -8.041 -37.896 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.524 -6.210 -37.178 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.455 -5.438 -38.331 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.722 -4.598 -38.649 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.252 -5.526 -40.059 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.483 -7.463 -38.669 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.542 -4.116 -39.247 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -17.253 -4.526 -39.076 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.654 -7.943 -38.431 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -17.877 -6.682 -38.616 1.00 0.00 H new ATOM 1528 N GLN A 97 -10.930 -5.773 -41.634 1.00 0.00 N ATOM 1529 CA GLN A 97 -11.368 -5.133 -42.871 1.00 0.00 C ATOM 1530 C GLN A 97 -10.417 -5.512 -44.004 1.00 0.00 C ATOM 1531 O GLN A 97 -10.836 -5.782 -45.119 1.00 0.00 O ATOM 1532 CB GLN A 97 -11.314 -3.619 -42.725 1.00 0.00 C ATOM 1533 CG GLN A 97 -11.991 -3.086 -41.495 1.00 0.00 C ATOM 1534 CD GLN A 97 -11.766 -1.604 -41.329 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -10.677 -1.263 -40.725 1.00 0.00 O flip ATOM 1536 NE2 GLN A 97 -12.547 -0.778 -41.796 1.00 0.00 N flip ATOM 0 H GLN A 97 -10.196 -5.266 -41.139 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.386 -5.460 -43.085 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.270 -3.305 -42.714 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.774 -3.166 -43.603 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.061 -3.287 -41.553 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.615 -3.611 -40.617 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.397 -1.089 -42.266 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.345 0.218 -41.713 1.00 0.00 H new