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= 0.114 USER MOD Set 1.2: A 55 ASN :FLIP amide:sc= 0.237 F(o=-0.8,f=0.92) USER MOD Set 1.3: A 56 SER OG : rot 62:sc= 0.699 USER MOD Set 1.4: A 87 ASN :FLIP amide:sc= -0.104 F(o=-2.2,f=0.92) USER MOD Set 1.5: A 89 MET CE :methyl 137:sc= -0.195 (180deg=-0.0205) USER MOD Set 1.6: A 94 TYR OH : rot 31:sc= 0.171 USER MOD Set 2.1: A 34 TYR OH : rot 80:sc= 0.843 USER MOD Set 2.2: A 40 SER OG : rot -15:sc= 0.565 USER MOD Set 2.3: A 51 GLN : amide:sc= -0.524 X(o=-0.96,f=-0.88) USER MOD Set 2.4: A 53 ASN : amide:sc= -1.84 K(o=-0.96,f=-2.7!) USER MOD Set 3.1: A 10 ASN : amide:sc= -0.0767 X(o=0.41,f=0.42) USER MOD Set 3.2: A 62 SER OG : rot -22:sc= 0.484 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.45 USER MOD Single : A 12 TYR OH : rot -129:sc= 0.678 USER MOD Single : A 18 TYR OH : rot -86:sc= 0.95 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0212 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 178:sc= -1.48 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0324 USER MOD Single : A 31 SER OG : rot 79:sc= 0.297 USER MOD Single : A 33 MET CE :methyl -130:sc= -5.41! (180deg=-6.23!) USER MOD Single : A 36 MET CE :methyl -176:sc= -0.451 (180deg=-0.521) USER MOD Single : A 37 ASN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc=-0.00182 USER MOD Single : A 61 THR OG1 : rot 147:sc= -2.43! USER MOD Single : A 66 SER OG : rot 180:sc= 0.0026 USER MOD Single : A 75 LYS NZ :NH3+ -155:sc= 1.49 (180deg=0.748) USER MOD Single : A 76 CYS SG : rot -27:sc= -1.75! USER MOD Single : A 90 THR OG1 : rot 142:sc= 1.43 USER MOD Single : A 97 GLN :FLIP amide:sc= -0.158 F(o=-1.9!,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 122 N PHE A 9 0.016 -3.252 -22.657 1.00 0.00 N ATOM 123 CA PHE A 9 0.063 -2.449 -23.836 1.00 0.00 C ATOM 124 C PHE A 9 -0.877 -3.052 -24.838 1.00 0.00 C ATOM 125 O PHE A 9 -0.785 -4.244 -25.141 1.00 0.00 O ATOM 126 CB PHE A 9 1.489 -2.344 -24.389 1.00 0.00 C ATOM 127 CG PHE A 9 2.419 -1.529 -23.525 1.00 0.00 C ATOM 128 CD1 PHE A 9 3.058 -2.093 -22.437 1.00 0.00 C ATOM 129 CD2 PHE A 9 2.654 -0.194 -23.814 1.00 0.00 C ATOM 130 CE1 PHE A 9 3.912 -1.346 -21.652 1.00 0.00 C ATOM 131 CE2 PHE A 9 3.505 0.560 -23.035 1.00 0.00 C ATOM 132 CZ PHE A 9 4.136 -0.016 -21.952 1.00 0.00 C ATOM 0 HA PHE A 9 -0.245 -1.429 -23.606 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.899 -3.347 -24.502 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.451 -1.901 -25.384 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.887 -3.132 -22.198 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.163 0.262 -24.661 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.404 -1.800 -20.805 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.677 1.599 -23.272 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.804 0.572 -21.340 1.00 0.00 H new ATOM 142 N ASN A 10 -1.796 -2.262 -25.320 1.00 0.00 N ATOM 143 CA ASN A 10 -2.794 -2.760 -26.245 1.00 0.00 C ATOM 144 C ASN A 10 -2.377 -2.378 -27.641 1.00 0.00 C ATOM 145 O ASN A 10 -1.255 -1.924 -27.828 1.00 0.00 O ATOM 146 CB ASN A 10 -4.189 -2.218 -25.871 1.00 0.00 C ATOM 147 CG ASN A 10 -4.670 -2.766 -24.523 1.00 0.00 C ATOM 148 OD1 ASN A 10 -5.411 -3.755 -24.467 1.00 0.00 O ATOM 149 ND2 ASN A 10 -4.203 -2.169 -23.434 1.00 0.00 N ATOM 0 H ASN A 10 -1.881 -1.271 -25.092 1.00 0.00 H new ATOM 0 HA ASN A 10 -2.864 -3.846 -26.192 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.157 -1.129 -25.830 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.904 -2.487 -26.649 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.453 -2.524 -22.511 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.594 -1.355 -23.520 1.00 0.00 H new ATOM 156 N THR A 11 -3.199 -2.585 -28.624 1.00 0.00 N ATOM 157 CA THR A 11 -2.802 -2.214 -29.946 1.00 0.00 C ATOM 158 C THR A 11 -3.971 -1.568 -30.716 1.00 0.00 C ATOM 159 O THR A 11 -5.102 -2.086 -30.742 1.00 0.00 O ATOM 160 CB THR A 11 -2.150 -3.427 -30.694 1.00 0.00 C ATOM 161 OG1 THR A 11 -1.538 -3.017 -31.920 1.00 0.00 O ATOM 162 CG2 THR A 11 -3.144 -4.548 -30.971 1.00 0.00 C ATOM 0 H THR A 11 -4.127 -2.999 -28.540 1.00 0.00 H new ATOM 0 HA THR A 11 -2.029 -1.448 -29.881 1.00 0.00 H new ATOM 0 HB THR A 11 -1.384 -3.815 -30.023 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.139 -3.795 -32.363 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.639 -5.362 -31.491 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.550 -4.916 -30.029 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.956 -4.169 -31.592 1.00 0.00 H new ATOM 170 N TYR A 12 -3.706 -0.411 -31.280 1.00 0.00 N ATOM 171 CA TYR A 12 -4.694 0.344 -32.022 1.00 0.00 C ATOM 172 C TYR A 12 -4.160 0.733 -33.362 1.00 0.00 C ATOM 173 O TYR A 12 -2.970 0.654 -33.598 1.00 0.00 O ATOM 174 CB TYR A 12 -5.057 1.625 -31.299 1.00 0.00 C ATOM 175 CG TYR A 12 -5.808 1.470 -30.019 1.00 0.00 C ATOM 176 CD1 TYR A 12 -7.198 1.387 -30.003 1.00 0.00 C ATOM 177 CD2 TYR A 12 -5.129 1.470 -28.813 1.00 0.00 C ATOM 178 CE1 TYR A 12 -7.879 1.311 -28.795 1.00 0.00 C ATOM 179 CE2 TYR A 12 -5.791 1.381 -27.621 1.00 0.00 C ATOM 180 CZ TYR A 12 -7.158 1.307 -27.607 1.00 0.00 C ATOM 181 OH TYR A 12 -7.811 1.260 -26.396 1.00 0.00 O ATOM 0 H TYR A 12 -2.791 0.037 -31.237 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.570 -0.296 -32.124 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.138 2.174 -31.093 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.652 2.242 -31.973 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.748 1.382 -30.932 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.051 1.542 -28.814 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.957 1.256 -28.779 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.238 1.369 -26.693 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.472 1.971 -25.813 1.00 0.00 H new ATOM 191 N VAL A 13 -5.045 1.178 -34.201 1.00 0.00 N ATOM 192 CA VAL A 13 -4.743 1.664 -35.531 1.00 0.00 C ATOM 193 C VAL A 13 -5.379 3.037 -35.735 1.00 0.00 C ATOM 194 O VAL A 13 -6.477 3.299 -35.246 1.00 0.00 O ATOM 195 CB VAL A 13 -5.229 0.666 -36.642 1.00 0.00 C ATOM 196 CG1 VAL A 13 -5.262 1.318 -38.014 1.00 0.00 C ATOM 197 CG2 VAL A 13 -4.299 -0.510 -36.708 1.00 0.00 C ATOM 0 H VAL A 13 -6.039 1.218 -33.978 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.660 1.747 -35.621 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.239 0.353 -36.375 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.604 0.593 -38.753 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.944 2.168 -37.997 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.262 1.661 -38.278 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.639 -1.200 -37.480 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.293 -0.165 -36.947 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.288 -1.020 -35.745 1.00 0.00 H new ATOM 207 N VAL A 14 -4.688 3.902 -36.420 1.00 0.00 N ATOM 208 CA VAL A 14 -5.202 5.186 -36.738 1.00 0.00 C ATOM 209 C VAL A 14 -5.205 5.374 -38.230 1.00 0.00 C ATOM 210 O VAL A 14 -4.229 5.088 -38.902 1.00 0.00 O ATOM 211 CB VAL A 14 -4.438 6.336 -36.036 1.00 0.00 C ATOM 212 CG1 VAL A 14 -2.940 6.269 -36.296 1.00 0.00 C ATOM 213 CG2 VAL A 14 -5.010 7.696 -36.445 1.00 0.00 C ATOM 0 H VAL A 14 -3.747 3.727 -36.772 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.224 5.231 -36.361 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.580 6.213 -34.962 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.445 7.094 -35.785 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.548 5.323 -35.922 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.753 6.341 -37.367 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.459 8.489 -35.940 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.918 7.820 -37.524 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.061 7.748 -36.162 1.00 0.00 H new ATOM 223 N SER A 15 -6.299 5.791 -38.724 1.00 0.00 N ATOM 224 CA SER A 15 -6.471 6.060 -40.104 1.00 0.00 C ATOM 225 C SER A 15 -6.574 7.563 -40.292 1.00 0.00 C ATOM 226 O SER A 15 -7.477 8.195 -39.751 1.00 0.00 O ATOM 227 CB SER A 15 -7.722 5.333 -40.583 1.00 0.00 C ATOM 228 OG SER A 15 -7.546 3.926 -40.445 1.00 0.00 O ATOM 0 H SER A 15 -7.135 5.963 -38.165 1.00 0.00 H new ATOM 0 HA SER A 15 -5.626 5.704 -40.694 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.587 5.659 -40.005 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.922 5.583 -41.625 1.00 0.00 H new ATOM 0 HG SER A 15 -6.762 3.642 -40.960 1.00 0.00 H new ATOM 234 N PHE A 16 -5.612 8.136 -40.974 1.00 0.00 N ATOM 235 CA PHE A 16 -5.598 9.561 -41.202 1.00 0.00 C ATOM 236 C PHE A 16 -6.231 9.934 -42.510 1.00 0.00 C ATOM 237 O PHE A 16 -5.972 9.311 -43.545 1.00 0.00 O ATOM 238 CB PHE A 16 -4.190 10.148 -41.132 1.00 0.00 C ATOM 239 CG PHE A 16 -3.666 10.306 -39.746 1.00 0.00 C ATOM 240 CD1 PHE A 16 -2.984 9.288 -39.114 1.00 0.00 C ATOM 241 CD2 PHE A 16 -3.861 11.493 -39.070 1.00 0.00 C ATOM 242 CE1 PHE A 16 -2.512 9.459 -37.833 1.00 0.00 C ATOM 243 CE2 PHE A 16 -3.393 11.663 -37.795 1.00 0.00 C ATOM 244 CZ PHE A 16 -2.719 10.649 -37.171 1.00 0.00 C ATOM 0 H PHE A 16 -4.824 7.634 -41.383 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.191 9.990 -40.394 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.512 9.506 -41.695 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.189 11.121 -41.623 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.819 8.352 -39.627 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.391 12.300 -39.554 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.977 8.658 -37.345 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.556 12.599 -37.281 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.351 10.781 -36.164 1.00 0.00 H new ATOM 254 N ASP A 17 -7.035 10.955 -42.462 1.00 0.00 N ATOM 255 CA ASP A 17 -7.694 11.483 -43.634 1.00 0.00 C ATOM 256 C ASP A 17 -7.390 12.918 -43.682 1.00 0.00 C ATOM 257 O ASP A 17 -7.505 13.614 -42.665 1.00 0.00 O ATOM 258 CB ASP A 17 -9.174 11.337 -43.537 1.00 0.00 C ATOM 259 CG ASP A 17 -9.890 11.520 -44.862 1.00 0.00 C ATOM 260 OD1 ASP A 17 -10.097 12.690 -45.297 1.00 0.00 O ATOM 261 OD2 ASP A 17 -10.264 10.500 -45.500 1.00 0.00 O ATOM 0 H ASP A 17 -7.258 11.455 -41.601 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.349 10.945 -44.517 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.408 10.349 -43.140 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.557 12.066 -42.823 1.00 0.00 H new ATOM 266 N TYR A 18 -7.017 13.368 -44.812 1.00 0.00 N ATOM 267 CA TYR A 18 -6.590 14.717 -44.987 1.00 0.00 C ATOM 268 C TYR A 18 -6.344 14.949 -46.463 1.00 0.00 C ATOM 269 O TYR A 18 -5.997 14.003 -47.176 1.00 0.00 O ATOM 270 CB TYR A 18 -5.307 14.961 -44.151 1.00 0.00 C ATOM 271 CG TYR A 18 -4.095 14.112 -44.548 1.00 0.00 C ATOM 272 CD1 TYR A 18 -3.907 12.847 -44.005 1.00 0.00 C ATOM 273 CD2 TYR A 18 -3.152 14.576 -45.460 1.00 0.00 C ATOM 274 CE1 TYR A 18 -2.829 12.066 -44.361 1.00 0.00 C ATOM 275 CE2 TYR A 18 -2.067 13.800 -45.820 1.00 0.00 C ATOM 276 CZ TYR A 18 -1.914 12.545 -45.269 1.00 0.00 C ATOM 277 OH TYR A 18 -0.842 11.763 -45.634 1.00 0.00 O ATOM 0 H TYR A 18 -6.995 12.809 -45.665 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.351 15.417 -44.642 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.035 16.013 -44.232 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.535 14.771 -43.102 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.621 12.468 -43.289 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.270 15.558 -45.893 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.703 11.084 -43.930 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.343 14.174 -46.529 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.109 11.894 -44.996 1.00 0.00 H new ATOM 287 N PRO A 19 -6.564 16.158 -46.969 1.00 0.00 N ATOM 288 CA PRO A 19 -6.301 16.455 -48.364 1.00 0.00 C ATOM 289 C PRO A 19 -4.812 16.378 -48.683 1.00 0.00 C ATOM 290 O PRO A 19 -3.960 16.616 -47.814 1.00 0.00 O ATOM 291 CB PRO A 19 -6.812 17.880 -48.554 1.00 0.00 C ATOM 292 CG PRO A 19 -6.919 18.463 -47.188 1.00 0.00 C ATOM 293 CD PRO A 19 -7.111 17.317 -46.236 1.00 0.00 C ATOM 0 HA PRO A 19 -6.787 15.739 -49.027 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.128 18.460 -49.173 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.779 17.884 -49.057 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.020 19.026 -46.937 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.757 19.158 -47.130 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.582 17.483 -45.297 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.163 17.174 -45.988 1.00 0.00 H new ATOM 301 N SER A 20 -4.500 16.096 -49.935 1.00 0.00 N ATOM 302 CA SER A 20 -3.126 15.963 -50.406 1.00 0.00 C ATOM 303 C SER A 20 -2.377 17.295 -50.329 1.00 0.00 C ATOM 304 O SER A 20 -1.168 17.357 -50.500 1.00 0.00 O ATOM 305 CB SER A 20 -3.127 15.442 -51.827 1.00 0.00 C ATOM 306 OG SER A 20 -3.822 14.201 -51.912 1.00 0.00 O ATOM 0 H SER A 20 -5.198 15.951 -50.664 1.00 0.00 H new ATOM 0 HA SER A 20 -2.607 15.256 -49.758 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.596 16.172 -52.486 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.101 15.314 -52.172 1.00 0.00 H new ATOM 0 HG SER A 20 -3.812 13.883 -52.839 1.00 0.00 H new ATOM 312 N SER A 21 -3.124 18.338 -50.056 1.00 0.00 N ATOM 313 CA SER A 21 -2.623 19.662 -49.869 1.00 0.00 C ATOM 314 C SER A 21 -1.692 19.729 -48.631 1.00 0.00 C ATOM 315 O SER A 21 -0.895 20.659 -48.494 1.00 0.00 O ATOM 316 CB SER A 21 -3.827 20.560 -49.671 1.00 0.00 C ATOM 317 OG SER A 21 -4.823 20.256 -50.653 1.00 0.00 O ATOM 0 H SER A 21 -4.137 18.276 -49.956 1.00 0.00 H new ATOM 0 HA SER A 21 -2.034 19.976 -50.731 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.235 20.421 -48.670 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.530 21.606 -49.752 1.00 0.00 H new ATOM 0 HG SER A 21 -5.601 20.837 -50.521 1.00 0.00 H new ATOM 323 N TYR A 22 -1.808 18.749 -47.730 1.00 0.00 N ATOM 324 CA TYR A 22 -0.963 18.712 -46.546 1.00 0.00 C ATOM 325 C TYR A 22 -0.068 17.486 -46.532 1.00 0.00 C ATOM 326 O TYR A 22 0.501 17.138 -45.490 1.00 0.00 O ATOM 327 CB TYR A 22 -1.790 18.720 -45.276 1.00 0.00 C ATOM 328 CG TYR A 22 -2.712 19.880 -45.132 1.00 0.00 C ATOM 329 CD1 TYR A 22 -2.250 21.106 -44.702 1.00 0.00 C ATOM 330 CD2 TYR A 22 -4.046 19.740 -45.415 1.00 0.00 C ATOM 331 CE1 TYR A 22 -3.106 22.171 -44.561 1.00 0.00 C ATOM 332 CE2 TYR A 22 -4.912 20.790 -45.283 1.00 0.00 C ATOM 333 CZ TYR A 22 -4.438 22.009 -44.857 1.00 0.00 C ATOM 334 OH TYR A 22 -5.298 23.061 -44.713 1.00 0.00 O ATOM 0 H TYR A 22 -2.474 17.980 -47.802 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.344 19.608 -46.585 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.376 17.802 -45.237 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.115 18.704 -44.421 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.202 21.230 -44.473 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.420 18.783 -45.748 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.736 23.127 -44.221 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.960 20.663 -45.511 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.203 22.781 -44.965 1.00 0.00 H new ATOM 344 N SER A 23 0.130 16.879 -47.670 1.00 0.00 N ATOM 345 CA SER A 23 0.937 15.673 -47.751 1.00 0.00 C ATOM 346 C SER A 23 2.436 15.969 -47.599 1.00 0.00 C ATOM 347 O SER A 23 3.247 15.066 -47.553 1.00 0.00 O ATOM 348 CB SER A 23 0.634 14.909 -49.032 1.00 0.00 C ATOM 349 OG SER A 23 -0.724 14.485 -49.047 1.00 0.00 O ATOM 0 H SER A 23 -0.254 17.194 -48.561 1.00 0.00 H new ATOM 0 HA SER A 23 0.665 15.035 -46.910 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.833 15.542 -49.896 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.293 14.044 -49.112 1.00 0.00 H new ATOM 0 HG SER A 23 -0.914 14.024 -49.891 1.00 0.00 H new ATOM 355 N SER A 24 2.784 17.229 -47.536 1.00 0.00 N ATOM 356 CA SER A 24 4.139 17.648 -47.267 1.00 0.00 C ATOM 357 C SER A 24 4.279 18.048 -45.791 1.00 0.00 C ATOM 358 O SER A 24 5.372 18.058 -45.213 1.00 0.00 O ATOM 359 CB SER A 24 4.457 18.821 -48.174 1.00 0.00 C ATOM 360 OG SER A 24 3.401 19.779 -48.126 1.00 0.00 O ATOM 0 H SER A 24 2.131 18.001 -47.671 1.00 0.00 H new ATOM 0 HA SER A 24 4.837 16.834 -47.460 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.394 19.285 -47.866 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.596 18.472 -49.197 1.00 0.00 H new ATOM 0 HG SER A 24 3.617 20.533 -48.713 1.00 0.00 H new ATOM 366 N VAL A 25 3.148 18.305 -45.186 1.00 0.00 N ATOM 367 CA VAL A 25 3.062 18.793 -43.828 1.00 0.00 C ATOM 368 C VAL A 25 2.947 17.652 -42.863 1.00 0.00 C ATOM 369 O VAL A 25 3.601 17.618 -41.812 1.00 0.00 O ATOM 370 CB VAL A 25 1.827 19.691 -43.664 1.00 0.00 C ATOM 371 CG1 VAL A 25 1.609 20.048 -42.215 1.00 0.00 C ATOM 372 CG2 VAL A 25 1.960 20.926 -44.513 1.00 0.00 C ATOM 0 H VAL A 25 2.239 18.179 -45.631 1.00 0.00 H new ATOM 0 HA VAL A 25 3.969 19.361 -43.620 1.00 0.00 H new ATOM 0 HB VAL A 25 0.951 19.138 -44.003 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.729 20.684 -42.126 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.459 19.138 -41.635 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.481 20.580 -41.836 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.077 21.552 -44.386 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.846 21.483 -44.209 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.053 20.639 -45.560 1.00 0.00 H new ATOM 382 N PHE A 26 2.158 16.692 -43.241 1.00 0.00 N ATOM 383 CA PHE A 26 1.864 15.565 -42.419 1.00 0.00 C ATOM 384 C PHE A 26 3.117 14.725 -42.174 1.00 0.00 C ATOM 385 O PHE A 26 3.204 13.957 -41.220 1.00 0.00 O ATOM 386 CB PHE A 26 0.751 14.761 -43.078 1.00 0.00 C ATOM 387 CG PHE A 26 0.737 13.335 -42.651 1.00 0.00 C ATOM 388 CD1 PHE A 26 0.145 12.966 -41.463 1.00 0.00 C ATOM 389 CD2 PHE A 26 1.392 12.374 -43.405 1.00 0.00 C ATOM 390 CE1 PHE A 26 0.209 11.664 -41.030 1.00 0.00 C ATOM 391 CE2 PHE A 26 1.446 11.077 -42.985 1.00 0.00 C ATOM 392 CZ PHE A 26 0.860 10.724 -41.795 1.00 0.00 C ATOM 0 H PHE A 26 1.693 16.673 -44.149 1.00 0.00 H new ATOM 0 HA PHE A 26 1.523 15.897 -41.438 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.210 15.216 -42.839 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.866 14.810 -44.161 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.372 13.705 -40.869 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.865 12.655 -44.335 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.249 11.380 -40.094 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.947 10.332 -43.586 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.910 9.700 -41.456 1.00 0.00 H new ATOM 402 N LEU A 27 4.100 14.924 -43.001 1.00 0.00 N ATOM 403 CA LEU A 27 5.339 14.205 -42.895 1.00 0.00 C ATOM 404 C LEU A 27 6.036 14.580 -41.598 1.00 0.00 C ATOM 405 O LEU A 27 6.826 13.829 -41.068 1.00 0.00 O ATOM 406 CB LEU A 27 6.241 14.528 -44.066 1.00 0.00 C ATOM 407 CG LEU A 27 5.616 14.450 -45.446 1.00 0.00 C ATOM 408 CD1 LEU A 27 6.669 14.650 -46.505 1.00 0.00 C ATOM 409 CD2 LEU A 27 4.848 13.148 -45.643 1.00 0.00 C ATOM 0 H LEU A 27 4.067 15.591 -43.772 1.00 0.00 H new ATOM 0 HA LEU A 27 5.125 13.136 -42.902 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.633 15.535 -43.926 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.092 13.848 -44.038 1.00 0.00 H new ATOM 0 HG LEU A 27 4.887 15.255 -45.539 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.209 14.592 -47.491 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.132 15.629 -46.378 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.429 13.874 -46.413 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.415 13.129 -46.643 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.527 12.304 -45.526 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.052 13.079 -44.901 1.00 0.00 H new ATOM 421 N ARG A 28 5.686 15.726 -41.068 1.00 0.00 N ATOM 422 CA ARG A 28 6.272 16.161 -39.827 1.00 0.00 C ATOM 423 C ARG A 28 5.491 15.485 -38.703 1.00 0.00 C ATOM 424 O ARG A 28 6.053 15.013 -37.736 1.00 0.00 O ATOM 425 CB ARG A 28 6.214 17.694 -39.677 1.00 0.00 C ATOM 426 CG ARG A 28 6.530 18.488 -40.955 1.00 0.00 C ATOM 427 CD ARG A 28 7.821 18.053 -41.649 1.00 0.00 C ATOM 428 NE ARG A 28 9.033 18.338 -40.883 1.00 0.00 N ATOM 429 CZ ARG A 28 10.279 18.120 -41.330 1.00 0.00 C ATOM 430 NH1 ARG A 28 10.481 17.587 -42.536 1.00 0.00 N ATOM 431 NH2 ARG A 28 11.319 18.431 -40.576 1.00 0.00 N ATOM 0 H ARG A 28 5.005 16.368 -41.473 1.00 0.00 H new ATOM 0 HA ARG A 28 7.326 15.886 -39.796 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.218 17.972 -39.332 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.916 17.994 -38.899 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.700 18.381 -41.653 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.602 19.547 -40.705 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.772 16.982 -41.847 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.888 18.553 -42.615 1.00 0.00 H new ATOM 0 HE ARG A 28 8.924 18.728 -39.947 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.685 17.342 -43.125 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.431 17.424 -42.869 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.175 18.838 -39.652 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.265 18.264 -40.918 1.00 0.00 H new ATOM 445 N LEU A 29 4.182 15.370 -38.915 1.00 0.00 N ATOM 446 CA LEU A 29 3.260 14.737 -37.966 1.00 0.00 C ATOM 447 C LEU A 29 3.610 13.246 -37.822 1.00 0.00 C ATOM 448 O LEU A 29 3.528 12.687 -36.734 1.00 0.00 O ATOM 449 CB LEU A 29 1.786 14.954 -38.456 1.00 0.00 C ATOM 450 CG LEU A 29 0.591 14.515 -37.548 1.00 0.00 C ATOM 451 CD1 LEU A 29 0.360 13.016 -37.575 1.00 0.00 C ATOM 452 CD2 LEU A 29 0.776 14.997 -36.111 1.00 0.00 C ATOM 0 H LEU A 29 3.724 15.716 -39.758 1.00 0.00 H new ATOM 0 HA LEU A 29 3.355 15.192 -36.980 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.665 16.018 -38.660 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.680 14.433 -39.407 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.298 14.990 -37.963 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.481 12.766 -36.928 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.140 12.700 -38.595 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.255 12.504 -37.222 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.072 14.675 -35.507 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.694 14.576 -35.701 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.838 16.085 -36.097 1.00 0.00 H new ATOM 464 N ARG A 30 4.040 12.617 -38.916 1.00 0.00 N ATOM 465 CA ARG A 30 4.420 11.204 -38.871 1.00 0.00 C ATOM 466 C ARG A 30 5.642 11.030 -38.001 1.00 0.00 C ATOM 467 O ARG A 30 5.724 10.099 -37.207 1.00 0.00 O ATOM 468 CB ARG A 30 4.596 10.605 -40.281 1.00 0.00 C ATOM 469 CG ARG A 30 5.850 11.007 -41.022 1.00 0.00 C ATOM 470 CD ARG A 30 5.798 10.633 -42.507 1.00 0.00 C ATOM 471 NE ARG A 30 5.863 9.187 -42.772 1.00 0.00 N ATOM 472 CZ ARG A 30 5.307 8.570 -43.838 1.00 0.00 C ATOM 473 NH1 ARG A 30 4.490 9.232 -44.655 1.00 0.00 N ATOM 474 NH2 ARG A 30 5.583 7.301 -44.089 1.00 0.00 N ATOM 0 H ARG A 30 4.133 13.055 -39.832 1.00 0.00 H new ATOM 0 HA ARG A 30 3.606 10.638 -38.418 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.581 9.518 -40.197 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.734 10.890 -40.885 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.996 12.083 -40.926 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.712 10.526 -40.559 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.877 11.028 -42.937 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.625 11.122 -43.022 1.00 0.00 H new ATOM 0 HE ARG A 30 6.366 8.607 -42.100 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.279 10.214 -44.479 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.076 8.757 -45.457 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.217 6.786 -43.477 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.162 6.837 -44.894 1.00 0.00 H new ATOM 488 N SER A 31 6.537 11.972 -38.106 1.00 0.00 N ATOM 489 CA SER A 31 7.728 12.002 -37.279 1.00 0.00 C ATOM 490 C SER A 31 7.355 12.151 -35.802 1.00 0.00 C ATOM 491 O SER A 31 8.003 11.577 -34.932 1.00 0.00 O ATOM 492 CB SER A 31 8.658 13.111 -37.740 1.00 0.00 C ATOM 493 OG SER A 31 9.001 12.902 -39.101 1.00 0.00 O ATOM 0 H SER A 31 6.468 12.746 -38.767 1.00 0.00 H new ATOM 0 HA SER A 31 8.259 11.056 -37.386 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.174 14.080 -37.620 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.558 13.126 -37.125 1.00 0.00 H new ATOM 0 HG SER A 31 8.264 13.200 -39.674 1.00 0.00 H new ATOM 499 N LEU A 32 6.272 12.874 -35.544 1.00 0.00 N ATOM 500 CA LEU A 32 5.743 13.030 -34.187 1.00 0.00 C ATOM 501 C LEU A 32 5.190 11.704 -33.694 1.00 0.00 C ATOM 502 O LEU A 32 5.372 11.332 -32.543 1.00 0.00 O ATOM 503 CB LEU A 32 4.640 14.112 -34.123 1.00 0.00 C ATOM 504 CG LEU A 32 5.059 15.571 -33.841 1.00 0.00 C ATOM 505 CD1 LEU A 32 5.613 15.695 -32.441 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.071 16.084 -34.846 1.00 0.00 C ATOM 0 H LEU A 32 5.737 13.366 -36.260 1.00 0.00 H new ATOM 0 HA LEU A 32 6.563 13.351 -33.545 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.105 14.098 -35.073 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.929 13.816 -33.352 1.00 0.00 H new ATOM 0 HG LEU A 32 4.164 16.186 -33.936 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.905 16.729 -32.255 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.851 15.398 -31.721 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.484 15.048 -32.336 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.334 17.114 -34.605 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.966 15.463 -34.810 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.642 16.044 -35.847 1.00 0.00 H new ATOM 518 N MET A 33 4.521 11.000 -34.577 1.00 0.00 N ATOM 519 CA MET A 33 3.957 9.706 -34.274 1.00 0.00 C ATOM 520 C MET A 33 5.015 8.680 -33.919 1.00 0.00 C ATOM 521 O MET A 33 4.884 7.973 -32.920 1.00 0.00 O ATOM 522 CB MET A 33 3.099 9.205 -35.416 1.00 0.00 C ATOM 523 CG MET A 33 1.908 10.085 -35.690 1.00 0.00 C ATOM 524 SD MET A 33 0.684 9.282 -36.717 1.00 0.00 S ATOM 525 CE MET A 33 1.592 9.115 -38.236 1.00 0.00 C ATOM 0 H MET A 33 4.352 11.312 -35.533 1.00 0.00 H new ATOM 0 HA MET A 33 3.328 9.840 -33.394 1.00 0.00 H new ATOM 0 HB2 MET A 33 3.708 9.137 -36.317 1.00 0.00 H new ATOM 0 HB3 MET A 33 2.753 8.197 -35.188 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.450 10.376 -34.745 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.242 11.001 -36.177 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.991 9.494 -39.063 1.00 0.00 H new ATOM 0 HE2 MET A 33 2.519 9.685 -38.170 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.823 8.064 -38.408 1.00 0.00 H new ATOM 535 N TYR A 34 6.055 8.595 -34.719 1.00 0.00 N ATOM 536 CA TYR A 34 7.142 7.654 -34.443 1.00 0.00 C ATOM 537 C TYR A 34 7.972 8.099 -33.244 1.00 0.00 C ATOM 538 O TYR A 34 8.647 7.291 -32.611 1.00 0.00 O ATOM 539 CB TYR A 34 8.011 7.435 -35.666 1.00 0.00 C ATOM 540 CG TYR A 34 7.235 6.914 -36.853 1.00 0.00 C ATOM 541 CD1 TYR A 34 6.526 5.714 -36.787 1.00 0.00 C ATOM 542 CD2 TYR A 34 7.188 7.631 -38.027 1.00 0.00 C ATOM 543 CE1 TYR A 34 5.807 5.262 -37.870 1.00 0.00 C ATOM 544 CE2 TYR A 34 6.471 7.184 -39.108 1.00 0.00 C ATOM 545 CZ TYR A 34 5.786 5.999 -39.026 1.00 0.00 C ATOM 546 OH TYR A 34 5.072 5.550 -40.107 1.00 0.00 O ATOM 0 H TYR A 34 6.180 9.157 -35.561 1.00 0.00 H new ATOM 0 HA TYR A 34 6.687 6.696 -34.190 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.492 8.375 -35.937 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.805 6.730 -35.420 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.542 5.134 -35.876 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.726 8.564 -38.099 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.262 4.332 -37.810 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.446 7.763 -40.019 1.00 0.00 H new ATOM 0 HH TYR A 34 4.123 5.758 -39.981 1.00 0.00 H new ATOM 556 N ASP A 35 7.918 9.391 -32.950 1.00 0.00 N ATOM 557 CA ASP A 35 8.528 9.958 -31.735 1.00 0.00 C ATOM 558 C ASP A 35 7.785 9.414 -30.515 1.00 0.00 C ATOM 559 O ASP A 35 8.354 9.221 -29.427 1.00 0.00 O ATOM 560 CB ASP A 35 8.428 11.490 -31.779 1.00 0.00 C ATOM 561 CG ASP A 35 8.957 12.187 -30.550 1.00 0.00 C ATOM 562 OD1 ASP A 35 10.179 12.448 -30.485 1.00 0.00 O ATOM 563 OD2 ASP A 35 8.148 12.538 -29.646 1.00 0.00 O ATOM 0 H ASP A 35 7.453 10.082 -33.540 1.00 0.00 H new ATOM 0 HA ASP A 35 9.580 9.678 -31.675 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.974 11.852 -32.650 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.384 11.769 -31.919 1.00 0.00 H new ATOM 568 N MET A 36 6.508 9.158 -30.724 1.00 0.00 N ATOM 569 CA MET A 36 5.639 8.563 -29.743 1.00 0.00 C ATOM 570 C MET A 36 5.583 7.027 -29.952 1.00 0.00 C ATOM 571 O MET A 36 6.517 6.431 -30.486 1.00 0.00 O ATOM 572 CB MET A 36 4.239 9.216 -29.816 1.00 0.00 C ATOM 573 CG MET A 36 4.221 10.659 -29.315 1.00 0.00 C ATOM 574 SD MET A 36 2.599 11.468 -29.432 1.00 0.00 S ATOM 575 CE MET A 36 2.434 11.703 -31.205 1.00 0.00 C ATOM 0 H MET A 36 6.040 9.366 -31.606 1.00 0.00 H new ATOM 0 HA MET A 36 6.030 8.742 -28.742 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.887 9.192 -30.847 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.538 8.625 -29.226 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.548 10.675 -28.275 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.946 11.239 -29.886 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.517 12.253 -31.415 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.289 12.267 -31.578 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.396 10.732 -31.699 1.00 0.00 H new ATOM 585 N ASN A 37 4.495 6.395 -29.543 1.00 0.00 N ATOM 586 CA ASN A 37 4.388 4.914 -29.566 1.00 0.00 C ATOM 587 C ASN A 37 3.885 4.336 -30.880 1.00 0.00 C ATOM 588 O ASN A 37 3.704 3.117 -30.985 1.00 0.00 O ATOM 589 CB ASN A 37 3.489 4.397 -28.444 1.00 0.00 C ATOM 590 CG ASN A 37 4.128 4.322 -27.084 1.00 0.00 C ATOM 591 OD1 ASN A 37 5.024 5.214 -26.806 1.00 0.00 O flip ATOM 592 ND2 ASN A 37 3.779 3.470 -26.279 1.00 0.00 N flip ATOM 0 H ASN A 37 3.664 6.869 -29.188 1.00 0.00 H new ATOM 0 HA ASN A 37 5.415 4.576 -29.428 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.612 5.041 -28.379 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.135 3.402 -28.715 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.069 2.785 -26.537 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.198 3.445 -25.349 1.00 0.00 H new ATOM 599 N PHE A 38 3.604 5.176 -31.847 1.00 0.00 N ATOM 600 CA PHE A 38 3.101 4.704 -33.140 1.00 0.00 C ATOM 601 C PHE A 38 4.146 3.880 -33.900 1.00 0.00 C ATOM 602 O PHE A 38 5.348 3.958 -33.614 1.00 0.00 O ATOM 603 CB PHE A 38 2.619 5.856 -33.999 1.00 0.00 C ATOM 604 CG PHE A 38 1.501 6.609 -33.374 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.765 7.658 -32.513 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.189 6.267 -33.629 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.757 8.352 -31.922 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.832 6.961 -33.033 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.537 8.006 -32.176 1.00 0.00 C ATOM 0 H PHE A 38 3.710 6.188 -31.776 1.00 0.00 H new ATOM 0 HA PHE A 38 2.254 4.052 -32.924 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.450 6.536 -34.187 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.297 5.472 -34.967 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.789 7.931 -32.307 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.034 5.451 -34.300 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.980 9.172 -31.256 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.859 6.694 -33.231 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.339 8.553 -31.704 1.00 0.00 H new ATOM 619 N SER A 39 3.692 3.070 -34.826 1.00 0.00 N ATOM 620 CA SER A 39 4.568 2.218 -35.604 1.00 0.00 C ATOM 621 C SER A 39 4.090 2.070 -37.048 1.00 0.00 C ATOM 622 O SER A 39 2.953 2.451 -37.388 1.00 0.00 O ATOM 623 CB SER A 39 4.650 0.859 -34.952 1.00 0.00 C ATOM 624 OG SER A 39 5.127 0.990 -33.613 1.00 0.00 O ATOM 0 H SER A 39 2.704 2.981 -35.064 1.00 0.00 H new ATOM 0 HA SER A 39 5.553 2.685 -35.631 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.668 0.386 -34.953 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.316 0.212 -35.523 1.00 0.00 H new ATOM 0 HG SER A 39 5.176 0.105 -33.195 1.00 0.00 H new ATOM 630 N SER A 40 4.949 1.489 -37.871 1.00 0.00 N ATOM 631 CA SER A 40 4.696 1.305 -39.281 1.00 0.00 C ATOM 632 C SER A 40 4.208 -0.115 -39.591 1.00 0.00 C ATOM 633 O SER A 40 3.643 -0.363 -40.671 1.00 0.00 O ATOM 634 CB SER A 40 5.985 1.545 -40.034 1.00 0.00 C ATOM 635 OG SER A 40 6.578 2.783 -39.662 1.00 0.00 O ATOM 0 H SER A 40 5.854 1.129 -37.568 1.00 0.00 H new ATOM 0 HA SER A 40 3.919 2.006 -39.584 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.682 0.731 -39.835 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.788 1.541 -41.106 1.00 0.00 H new ATOM 0 HG SER A 40 5.919 3.332 -39.188 1.00 0.00 H new ATOM 641 N ILE A 41 4.473 -1.034 -38.679 1.00 0.00 N ATOM 642 CA ILE A 41 4.122 -2.440 -38.823 1.00 0.00 C ATOM 643 C ILE A 41 3.297 -2.916 -37.613 1.00 0.00 C ATOM 644 O ILE A 41 3.512 -2.459 -36.476 1.00 0.00 O ATOM 645 CB ILE A 41 5.427 -3.355 -38.964 1.00 0.00 C ATOM 646 CG1 ILE A 41 6.009 -3.394 -40.392 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.235 -4.768 -38.444 1.00 0.00 C ATOM 648 CD1 ILE A 41 6.623 -2.116 -40.867 1.00 0.00 C ATOM 0 H ILE A 41 4.947 -0.822 -37.801 1.00 0.00 H new ATOM 0 HA ILE A 41 3.528 -2.536 -39.732 1.00 0.00 H new ATOM 0 HB ILE A 41 6.157 -2.858 -38.324 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.763 -4.179 -40.438 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.214 -3.675 -41.083 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.159 -5.331 -38.571 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.973 -4.734 -37.386 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.434 -5.255 -39.000 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.002 -2.249 -41.880 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.871 -1.327 -40.861 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.444 -1.839 -40.206 1.00 0.00 H new ATOM 660 N VAL A 42 2.355 -3.806 -37.870 1.00 0.00 N ATOM 661 CA VAL A 42 1.574 -4.461 -36.833 1.00 0.00 C ATOM 662 C VAL A 42 1.119 -5.823 -37.366 1.00 0.00 C ATOM 663 O VAL A 42 0.916 -5.983 -38.574 1.00 0.00 O ATOM 664 CB VAL A 42 0.351 -3.599 -36.367 1.00 0.00 C ATOM 665 CG1 VAL A 42 -0.614 -3.376 -37.496 1.00 0.00 C ATOM 666 CG2 VAL A 42 -0.363 -4.220 -35.171 1.00 0.00 C ATOM 0 H VAL A 42 2.107 -4.098 -38.815 1.00 0.00 H new ATOM 0 HA VAL A 42 2.199 -4.590 -35.949 1.00 0.00 H new ATOM 0 HB VAL A 42 0.745 -2.633 -36.051 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.453 -2.775 -37.144 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.109 -2.854 -38.309 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.982 -4.337 -37.856 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.204 -3.590 -34.882 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.728 -5.211 -35.440 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.332 -4.304 -34.336 1.00 0.00 H new ATOM 676 N ALA A 43 1.051 -6.803 -36.499 1.00 0.00 N ATOM 677 CA ALA A 43 0.612 -8.130 -36.866 1.00 0.00 C ATOM 678 C ALA A 43 -0.875 -8.157 -37.163 1.00 0.00 C ATOM 679 O ALA A 43 -1.675 -7.545 -36.450 1.00 0.00 O ATOM 680 CB ALA A 43 0.924 -9.120 -35.759 1.00 0.00 C ATOM 0 H ALA A 43 1.299 -6.704 -35.515 1.00 0.00 H new ATOM 0 HA ALA A 43 1.152 -8.414 -37.769 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.586 -10.114 -36.054 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.999 -9.140 -35.581 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.411 -8.818 -34.846 1.00 0.00 H new ATOM 686 N ASP A 44 -1.229 -8.854 -38.213 1.00 0.00 N ATOM 687 CA ASP A 44 -2.627 -9.071 -38.584 1.00 0.00 C ATOM 688 C ASP A 44 -3.105 -10.295 -37.785 1.00 0.00 C ATOM 689 O ASP A 44 -2.365 -10.810 -36.935 1.00 0.00 O ATOM 690 CB ASP A 44 -2.699 -9.380 -40.094 1.00 0.00 C ATOM 691 CG ASP A 44 -4.071 -9.195 -40.744 1.00 0.00 C ATOM 692 OD1 ASP A 44 -5.013 -9.921 -40.409 1.00 0.00 O ATOM 693 OD2 ASP A 44 -4.178 -8.377 -41.638 1.00 0.00 O ATOM 0 H ASP A 44 -0.561 -9.294 -38.846 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.244 -8.197 -38.372 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.983 -8.741 -40.611 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.379 -10.410 -40.251 1.00 0.00 H new ATOM 698 N GLU A 45 -4.256 -10.817 -38.114 1.00 0.00 N ATOM 699 CA GLU A 45 -4.842 -11.959 -37.408 1.00 0.00 C ATOM 700 C GLU A 45 -4.072 -13.211 -37.759 1.00 0.00 C ATOM 701 O GLU A 45 -4.028 -14.179 -37.005 1.00 0.00 O ATOM 702 CB GLU A 45 -6.310 -12.143 -37.800 1.00 0.00 C ATOM 703 CG GLU A 45 -6.536 -12.511 -39.272 1.00 0.00 C ATOM 704 CD GLU A 45 -7.992 -12.618 -39.613 1.00 0.00 C ATOM 705 OE1 GLU A 45 -8.681 -11.573 -39.662 1.00 0.00 O ATOM 706 OE2 GLU A 45 -8.491 -13.756 -39.814 1.00 0.00 O ATOM 0 H GLU A 45 -4.829 -10.470 -38.883 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.787 -11.772 -36.336 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.745 -12.922 -37.173 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.849 -11.221 -37.583 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.070 -11.759 -39.908 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.044 -13.459 -39.487 1.00 0.00 H new ATOM 713 N TYR A 46 -3.437 -13.159 -38.905 1.00 0.00 N ATOM 714 CA TYR A 46 -2.675 -14.262 -39.413 1.00 0.00 C ATOM 715 C TYR A 46 -1.322 -14.312 -38.727 1.00 0.00 C ATOM 716 O TYR A 46 -0.605 -15.304 -38.825 1.00 0.00 O ATOM 717 CB TYR A 46 -2.453 -14.098 -40.908 1.00 0.00 C ATOM 718 CG TYR A 46 -3.694 -13.811 -41.710 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.626 -14.797 -41.990 1.00 0.00 C ATOM 720 CD2 TYR A 46 -3.927 -12.542 -42.187 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.760 -14.514 -42.731 1.00 0.00 C ATOM 722 CE2 TYR A 46 -5.042 -12.250 -42.921 1.00 0.00 C ATOM 723 CZ TYR A 46 -5.959 -13.235 -43.197 1.00 0.00 C ATOM 724 OH TYR A 46 -7.092 -12.934 -43.939 1.00 0.00 O ATOM 0 H TYR A 46 -3.438 -12.340 -39.513 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.226 -15.182 -39.220 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.741 -13.288 -41.067 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.992 -15.008 -41.293 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.465 -15.801 -41.625 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.213 -11.759 -41.977 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.482 -15.290 -42.941 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.202 -11.246 -43.284 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.077 -11.986 -44.189 1.00 0.00 H new ATOM 734 N GLY A 47 -0.984 -13.231 -38.040 1.00 0.00 N ATOM 735 CA GLY A 47 0.306 -13.126 -37.398 1.00 0.00 C ATOM 736 C GLY A 47 1.332 -12.518 -38.323 1.00 0.00 C ATOM 737 O GLY A 47 2.525 -12.532 -38.042 1.00 0.00 O ATOM 0 H GLY A 47 -1.588 -12.418 -37.916 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.218 -12.517 -36.498 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.639 -14.115 -37.082 1.00 0.00 H new ATOM 741 N ILE A 48 0.863 -11.960 -39.420 1.00 0.00 N ATOM 742 CA ILE A 48 1.724 -11.382 -40.413 1.00 0.00 C ATOM 743 C ILE A 48 1.901 -9.913 -40.132 1.00 0.00 C ATOM 744 O ILE A 48 0.918 -9.200 -39.929 1.00 0.00 O ATOM 745 CB ILE A 48 1.206 -11.638 -41.888 1.00 0.00 C ATOM 746 CG1 ILE A 48 1.666 -13.012 -42.407 1.00 0.00 C ATOM 747 CG2 ILE A 48 1.643 -10.548 -42.861 1.00 0.00 C ATOM 748 CD1 ILE A 48 1.150 -14.193 -41.630 1.00 0.00 C ATOM 0 H ILE A 48 -0.131 -11.898 -39.642 1.00 0.00 H new ATOM 0 HA ILE A 48 2.694 -11.875 -40.350 1.00 0.00 H new ATOM 0 HB ILE A 48 0.117 -11.618 -41.835 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.352 -13.115 -43.446 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.756 -13.040 -42.400 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.260 -10.774 -43.856 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.250 -9.587 -42.531 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.732 -10.503 -42.892 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.529 -15.114 -42.073 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.486 -14.123 -40.595 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.060 -14.199 -41.658 1.00 0.00 H new ATOM 760 N PRO A 49 3.146 -9.462 -40.045 1.00 0.00 N ATOM 761 CA PRO A 49 3.453 -8.064 -39.821 1.00 0.00 C ATOM 762 C PRO A 49 3.133 -7.230 -41.069 1.00 0.00 C ATOM 763 O PRO A 49 3.837 -7.298 -42.086 1.00 0.00 O ATOM 764 CB PRO A 49 4.959 -8.064 -39.529 1.00 0.00 C ATOM 765 CG PRO A 49 5.487 -9.301 -40.167 1.00 0.00 C ATOM 766 CD PRO A 49 4.368 -10.296 -40.158 1.00 0.00 C ATOM 0 HA PRO A 49 2.869 -7.625 -39.012 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.438 -7.175 -39.939 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.151 -8.063 -38.456 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.819 -9.100 -41.186 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.349 -9.682 -39.620 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.359 -10.895 -41.069 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.457 -10.989 -39.321 1.00 0.00 H new ATOM 774 N ARG A 50 2.033 -6.534 -41.009 1.00 0.00 N ATOM 775 CA ARG A 50 1.565 -5.679 -42.086 1.00 0.00 C ATOM 776 C ARG A 50 2.224 -4.317 -42.012 1.00 0.00 C ATOM 777 O ARG A 50 2.611 -3.875 -40.933 1.00 0.00 O ATOM 778 CB ARG A 50 0.098 -5.426 -41.881 1.00 0.00 C ATOM 779 CG ARG A 50 -0.809 -6.619 -41.958 1.00 0.00 C ATOM 780 CD ARG A 50 -1.091 -7.014 -43.373 1.00 0.00 C ATOM 781 NE ARG A 50 -2.395 -7.661 -43.440 1.00 0.00 N ATOM 782 CZ ARG A 50 -3.094 -7.890 -44.524 1.00 0.00 C ATOM 783 NH1 ARG A 50 -2.557 -7.688 -45.708 1.00 0.00 N ATOM 784 NH2 ARG A 50 -4.337 -8.342 -44.398 1.00 0.00 N ATOM 0 H ARG A 50 1.417 -6.539 -40.196 1.00 0.00 H new ATOM 0 HA ARG A 50 1.789 -6.169 -43.034 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.034 -4.961 -40.904 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.230 -4.701 -42.626 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.352 -7.457 -41.431 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.747 -6.396 -41.449 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.074 -6.136 -44.018 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.317 -7.691 -43.735 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.803 -7.965 -42.556 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.596 -7.353 -45.782 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.101 -7.866 -46.552 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.729 -8.504 -43.470 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.899 -8.527 -45.229 1.00 0.00 H new ATOM 798 N GLN A 51 2.325 -3.656 -43.142 1.00 0.00 N ATOM 799 CA GLN A 51 2.733 -2.270 -43.172 1.00 0.00 C ATOM 800 C GLN A 51 1.496 -1.433 -43.149 1.00 0.00 C ATOM 801 O GLN A 51 0.442 -1.846 -43.622 1.00 0.00 O ATOM 802 CB GLN A 51 3.532 -1.915 -44.407 1.00 0.00 C ATOM 803 CG GLN A 51 4.995 -2.264 -44.335 1.00 0.00 C ATOM 804 CD GLN A 51 5.889 -1.063 -44.070 1.00 0.00 C ATOM 805 OE1 GLN A 51 7.006 -0.995 -44.558 1.00 0.00 O ATOM 806 NE2 GLN A 51 5.454 -0.169 -43.216 1.00 0.00 N ATOM 0 H GLN A 51 2.129 -4.059 -44.058 1.00 0.00 H new ATOM 0 HA GLN A 51 3.376 -2.089 -42.311 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.093 -2.424 -45.265 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.437 -0.844 -44.589 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.147 -3.002 -43.547 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.296 -2.732 -45.272 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.516 -0.252 -42.825 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.054 0.610 -42.943 1.00 0.00 H new ATOM 815 N LEU A 52 1.617 -0.293 -42.604 1.00 0.00 N ATOM 816 CA LEU A 52 0.478 0.587 -42.415 1.00 0.00 C ATOM 817 C LEU A 52 0.599 1.831 -43.251 1.00 0.00 C ATOM 818 O LEU A 52 -0.391 2.518 -43.518 1.00 0.00 O ATOM 819 CB LEU A 52 0.468 0.934 -40.937 1.00 0.00 C ATOM 820 CG LEU A 52 0.481 -0.302 -40.054 1.00 0.00 C ATOM 821 CD1 LEU A 52 0.588 0.063 -38.625 1.00 0.00 C ATOM 822 CD2 LEU A 52 -0.746 -1.158 -40.329 1.00 0.00 C ATOM 0 H LEU A 52 2.502 0.085 -42.265 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.448 0.102 -42.725 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.335 1.552 -40.705 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.417 1.529 -40.712 1.00 0.00 H new ATOM 0 HG LEU A 52 1.364 -0.894 -40.297 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.595 -0.842 -38.018 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.511 0.618 -38.459 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.263 0.683 -38.343 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.725 -2.041 -39.690 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.647 -0.581 -40.120 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.747 -1.467 -41.374 1.00 0.00 H new ATOM 834 N ASN A 53 1.800 2.075 -43.705 1.00 0.00 N ATOM 835 CA ASN A 53 2.203 3.339 -44.363 1.00 0.00 C ATOM 836 C ASN A 53 1.601 3.589 -45.735 1.00 0.00 C ATOM 837 O ASN A 53 2.272 3.600 -46.763 1.00 0.00 O ATOM 838 CB ASN A 53 3.714 3.518 -44.369 1.00 0.00 C ATOM 839 CG ASN A 53 4.333 3.341 -42.999 1.00 0.00 C ATOM 840 OD1 ASN A 53 5.470 2.930 -42.884 1.00 0.00 O ATOM 841 ND2 ASN A 53 3.581 3.594 -41.952 1.00 0.00 N ATOM 0 H ASN A 53 2.560 1.399 -43.637 1.00 0.00 H new ATOM 0 HA ASN A 53 1.763 4.114 -43.735 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.157 2.799 -45.058 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.956 4.512 -44.746 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.949 3.446 -41.012 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.629 3.939 -42.079 1.00 0.00 H new ATOM 848 N GLU A 54 0.336 3.677 -45.718 1.00 0.00 N ATOM 849 CA GLU A 54 -0.463 4.106 -46.795 1.00 0.00 C ATOM 850 C GLU A 54 -1.210 5.300 -46.261 1.00 0.00 C ATOM 851 O GLU A 54 -1.022 6.432 -46.705 1.00 0.00 O ATOM 852 CB GLU A 54 -1.438 3.017 -47.199 1.00 0.00 C ATOM 853 CG GLU A 54 -0.791 1.661 -47.363 1.00 0.00 C ATOM 854 CD GLU A 54 -1.796 0.580 -47.606 1.00 0.00 C ATOM 855 OE1 GLU A 54 -2.224 0.378 -48.760 1.00 0.00 O ATOM 856 OE2 GLU A 54 -2.193 -0.081 -46.632 1.00 0.00 O ATOM 0 H GLU A 54 -0.213 3.435 -44.893 1.00 0.00 H new ATOM 0 HA GLU A 54 0.129 4.344 -47.679 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.225 2.947 -46.448 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.917 3.298 -48.137 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.088 1.694 -48.195 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.215 1.425 -46.468 1.00 0.00 H new ATOM 863 N ASN A 55 -1.986 5.034 -45.210 1.00 0.00 N ATOM 864 CA ASN A 55 -2.764 6.075 -44.530 1.00 0.00 C ATOM 865 C ASN A 55 -3.104 5.688 -43.102 1.00 0.00 C ATOM 866 O ASN A 55 -3.835 6.402 -42.414 1.00 0.00 O ATOM 867 CB ASN A 55 -4.068 6.415 -45.277 1.00 0.00 C ATOM 868 CG ASN A 55 -5.228 5.395 -45.149 1.00 0.00 C ATOM 869 OD1 ASN A 55 -4.948 4.108 -45.066 1.00 0.00 O flip ATOM 870 ND2 ASN A 55 -6.389 5.787 -45.162 1.00 0.00 N flip ATOM 0 H ASN A 55 -2.094 4.103 -44.808 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.124 6.957 -44.521 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.423 7.381 -44.919 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.834 6.533 -46.335 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.590 6.785 -45.227 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.155 5.115 -45.108 1.00 0.00 H new ATOM 877 N SER A 56 -2.594 4.581 -42.640 1.00 0.00 N ATOM 878 CA SER A 56 -2.919 4.154 -41.339 1.00 0.00 C ATOM 879 C SER A 56 -1.659 3.858 -40.600 1.00 0.00 C ATOM 880 O SER A 56 -0.618 3.729 -41.209 1.00 0.00 O ATOM 881 CB SER A 56 -3.834 2.944 -41.376 1.00 0.00 C ATOM 882 OG SER A 56 -5.010 3.215 -42.141 1.00 0.00 O ATOM 0 H SER A 56 -1.957 3.972 -43.153 1.00 0.00 H new ATOM 0 HA SER A 56 -3.460 4.946 -40.821 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.303 2.095 -41.807 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.113 2.663 -40.360 1.00 0.00 H new ATOM 0 HG SER A 56 -4.760 3.408 -43.069 1.00 0.00 H new ATOM 888 N PHE A 57 -1.724 3.840 -39.315 1.00 0.00 N ATOM 889 CA PHE A 57 -0.581 3.546 -38.496 1.00 0.00 C ATOM 890 C PHE A 57 -1.094 2.848 -37.262 1.00 0.00 C ATOM 891 O PHE A 57 -2.291 2.856 -37.029 1.00 0.00 O ATOM 892 CB PHE A 57 0.164 4.832 -38.109 1.00 0.00 C ATOM 893 CG PHE A 57 0.535 5.724 -39.276 1.00 0.00 C ATOM 894 CD1 PHE A 57 -0.358 6.684 -39.753 1.00 0.00 C ATOM 895 CD2 PHE A 57 1.748 5.575 -39.919 1.00 0.00 C ATOM 896 CE1 PHE A 57 -0.036 7.468 -40.841 1.00 0.00 C ATOM 897 CE2 PHE A 57 2.070 6.357 -41.012 1.00 0.00 C ATOM 898 CZ PHE A 57 1.182 7.300 -41.473 1.00 0.00 C ATOM 0 H PHE A 57 -2.577 4.030 -38.789 1.00 0.00 H new ATOM 0 HA PHE A 57 0.125 2.918 -39.039 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.457 5.401 -37.417 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.073 4.561 -37.573 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.312 6.815 -39.265 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.453 4.839 -39.563 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.733 8.211 -41.198 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.022 6.227 -41.505 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.436 7.909 -42.328 1.00 0.00 H new ATOM 908 N ALA A 58 -0.232 2.249 -36.493 1.00 0.00 N ATOM 909 CA ALA A 58 -0.659 1.529 -35.310 1.00 0.00 C ATOM 910 C ALA A 58 0.057 2.046 -34.118 1.00 0.00 C ATOM 911 O ALA A 58 1.053 2.742 -34.250 1.00 0.00 O ATOM 912 CB ALA A 58 -0.419 0.032 -35.442 1.00 0.00 C ATOM 0 H ALA A 58 0.775 2.240 -36.657 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.731 1.688 -35.196 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.752 -0.471 -34.535 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.977 -0.352 -36.296 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.645 -0.154 -35.590 1.00 0.00 H new ATOM 918 N ILE A 59 -0.439 1.721 -32.970 1.00 0.00 N ATOM 919 CA ILE A 59 0.167 2.126 -31.754 1.00 0.00 C ATOM 920 C ILE A 59 -0.077 1.086 -30.659 1.00 0.00 C ATOM 921 O ILE A 59 -1.158 0.519 -30.557 1.00 0.00 O ATOM 922 CB ILE A 59 -0.323 3.528 -31.326 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.434 3.987 -30.094 1.00 0.00 C ATOM 924 CG2 ILE A 59 -1.830 3.523 -31.071 1.00 0.00 C ATOM 925 CD1 ILE A 59 0.330 5.451 -29.838 1.00 0.00 C ATOM 0 H ILE A 59 -1.284 1.162 -32.853 1.00 0.00 H new ATOM 0 HA ILE A 59 1.243 2.196 -31.915 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.127 4.230 -32.137 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.057 3.448 -29.225 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.485 3.720 -30.204 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.152 4.520 -30.771 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.352 3.232 -31.982 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.062 2.813 -30.277 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.896 5.705 -28.942 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.734 5.999 -30.689 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.716 5.722 -29.695 1.00 0.00 H new ATOM 937 N THR A 60 0.928 0.855 -29.861 1.00 0.00 N ATOM 938 CA THR A 60 0.890 -0.131 -28.803 1.00 0.00 C ATOM 939 C THR A 60 0.490 0.532 -27.456 1.00 0.00 C ATOM 940 O THR A 60 0.847 0.064 -26.379 1.00 0.00 O ATOM 941 CB THR A 60 2.289 -0.820 -28.691 1.00 0.00 C ATOM 942 OG1 THR A 60 2.244 -1.953 -27.810 1.00 0.00 O ATOM 943 CG2 THR A 60 3.366 0.159 -28.206 1.00 0.00 C ATOM 0 H THR A 60 1.816 1.353 -29.924 1.00 0.00 H new ATOM 0 HA THR A 60 0.140 -0.886 -29.037 1.00 0.00 H new ATOM 0 HB THR A 60 2.551 -1.159 -29.693 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.132 -2.365 -27.761 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.324 -0.357 -28.141 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.447 0.988 -28.909 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.093 0.542 -27.223 1.00 0.00 H new ATOM 951 N THR A 61 -0.323 1.549 -27.536 1.00 0.00 N ATOM 952 CA THR A 61 -0.712 2.296 -26.369 1.00 0.00 C ATOM 953 C THR A 61 -1.829 1.546 -25.603 1.00 0.00 C ATOM 954 O THR A 61 -2.353 0.538 -26.068 1.00 0.00 O ATOM 955 CB THR A 61 -1.202 3.712 -26.771 1.00 0.00 C ATOM 956 OG1 THR A 61 -1.319 4.542 -25.614 1.00 0.00 O ATOM 957 CG2 THR A 61 -2.559 3.627 -27.459 1.00 0.00 C ATOM 0 H THR A 61 -0.734 1.883 -28.408 1.00 0.00 H new ATOM 0 HA THR A 61 0.156 2.399 -25.718 1.00 0.00 H new ATOM 0 HB THR A 61 -0.473 4.143 -27.457 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.104 5.468 -25.853 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.890 4.628 -27.735 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.475 3.012 -28.355 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.284 3.180 -26.779 1.00 0.00 H new ATOM 965 N SER A 62 -2.171 2.033 -24.450 1.00 0.00 N ATOM 966 CA SER A 62 -3.188 1.427 -23.655 1.00 0.00 C ATOM 967 C SER A 62 -4.286 2.430 -23.322 1.00 0.00 C ATOM 968 O SER A 62 -5.262 2.091 -22.655 1.00 0.00 O ATOM 969 CB SER A 62 -2.546 0.882 -22.408 1.00 0.00 C ATOM 970 OG SER A 62 -3.470 0.279 -21.523 1.00 0.00 O ATOM 0 H SER A 62 -1.750 2.864 -24.035 1.00 0.00 H new ATOM 0 HA SER A 62 -3.661 0.615 -24.207 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.789 0.149 -22.687 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.031 1.690 -21.889 1.00 0.00 H new ATOM 0 HG SER A 62 -4.370 0.621 -21.707 1.00 0.00 H new ATOM 976 N LEU A 63 -4.121 3.653 -23.781 1.00 0.00 N ATOM 977 CA LEU A 63 -5.124 4.672 -23.583 1.00 0.00 C ATOM 978 C LEU A 63 -6.299 4.458 -24.512 1.00 0.00 C ATOM 979 O LEU A 63 -6.347 3.468 -25.265 1.00 0.00 O ATOM 980 CB LEU A 63 -4.526 6.102 -23.652 1.00 0.00 C ATOM 981 CG LEU A 63 -3.573 6.427 -24.796 1.00 0.00 C ATOM 982 CD1 LEU A 63 -4.272 6.626 -26.091 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.668 7.591 -24.458 1.00 0.00 C ATOM 0 H LEU A 63 -3.297 3.964 -24.296 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.511 4.577 -22.569 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.355 6.808 -23.698 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.999 6.289 -22.716 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.940 5.549 -24.926 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.542 6.855 -26.867 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.812 5.717 -26.357 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.976 7.453 -26.001 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.004 7.791 -25.299 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.273 8.475 -24.254 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.075 7.347 -23.577 1.00 0.00 H new ATOM 995 N ALA A 64 -7.226 5.344 -24.493 1.00 0.00 N ATOM 996 CA ALA A 64 -8.414 5.101 -25.236 1.00 0.00 C ATOM 997 C ALA A 64 -8.354 5.743 -26.586 1.00 0.00 C ATOM 998 O ALA A 64 -7.486 6.567 -26.833 1.00 0.00 O ATOM 999 CB ALA A 64 -9.656 5.494 -24.471 1.00 0.00 C ATOM 0 H ALA A 64 -7.192 6.227 -23.984 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.481 4.025 -25.394 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.537 5.290 -25.079 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.711 4.919 -23.547 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.616 6.557 -24.235 1.00 0.00 H new ATOM 1005 N ALA A 65 -9.294 5.395 -27.442 1.00 0.00 N ATOM 1006 CA ALA A 65 -9.330 5.887 -28.806 1.00 0.00 C ATOM 1007 C ALA A 65 -9.405 7.400 -28.841 1.00 0.00 C ATOM 1008 O ALA A 65 -8.666 8.054 -29.575 1.00 0.00 O ATOM 1009 CB ALA A 65 -10.487 5.266 -29.567 1.00 0.00 C ATOM 0 H ALA A 65 -10.058 4.760 -27.211 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.402 5.592 -29.296 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.497 5.647 -30.588 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.370 4.182 -29.586 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.425 5.522 -29.075 1.00 0.00 H new ATOM 1015 N SER A 66 -10.236 7.937 -27.988 1.00 0.00 N ATOM 1016 CA SER A 66 -10.428 9.361 -27.875 1.00 0.00 C ATOM 1017 C SER A 66 -9.159 10.042 -27.315 1.00 0.00 C ATOM 1018 O SER A 66 -8.885 11.215 -27.592 1.00 0.00 O ATOM 1019 CB SER A 66 -11.616 9.587 -26.965 1.00 0.00 C ATOM 1020 OG SER A 66 -12.709 8.785 -27.401 1.00 0.00 O ATOM 0 H SER A 66 -10.807 7.391 -27.343 1.00 0.00 H new ATOM 0 HA SER A 66 -10.615 9.801 -28.854 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.353 9.335 -25.938 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.898 10.640 -26.973 1.00 0.00 H new ATOM 0 HG SER A 66 -13.477 8.930 -26.810 1.00 0.00 H new ATOM 1026 N GLU A 67 -8.347 9.265 -26.613 1.00 0.00 N ATOM 1027 CA GLU A 67 -7.158 9.777 -26.004 1.00 0.00 C ATOM 1028 C GLU A 67 -6.076 9.838 -27.041 1.00 0.00 C ATOM 1029 O GLU A 67 -5.318 10.787 -27.074 1.00 0.00 O ATOM 1030 CB GLU A 67 -6.722 8.904 -24.831 1.00 0.00 C ATOM 1031 CG GLU A 67 -7.681 8.890 -23.657 1.00 0.00 C ATOM 1032 CD GLU A 67 -7.724 10.203 -22.912 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -8.503 11.106 -23.292 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -6.987 10.351 -21.901 1.00 0.00 O ATOM 0 H GLU A 67 -8.505 8.269 -26.458 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.356 10.775 -25.613 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.590 7.882 -25.186 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.748 9.248 -24.482 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.682 8.650 -24.016 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.391 8.097 -22.968 1.00 0.00 H new ATOM 1041 N ILE A 68 -6.015 8.811 -27.911 1.00 0.00 N ATOM 1042 CA ILE A 68 -5.028 8.795 -28.993 1.00 0.00 C ATOM 1043 C ILE A 68 -5.232 9.999 -29.880 1.00 0.00 C ATOM 1044 O ILE A 68 -4.274 10.627 -30.301 1.00 0.00 O ATOM 1045 CB ILE A 68 -5.088 7.550 -29.910 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -5.553 6.316 -29.159 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -3.718 7.313 -30.517 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -5.325 5.008 -29.854 1.00 0.00 C ATOM 0 H ILE A 68 -6.629 7.997 -27.882 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.061 8.790 -28.490 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.817 7.739 -30.698 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.046 6.287 -28.195 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.619 6.417 -28.955 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.754 6.437 -31.164 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.423 8.184 -31.102 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.991 7.147 -29.722 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.694 4.195 -29.229 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.856 5.004 -30.806 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.258 4.872 -30.033 1.00 0.00 H new ATOM 1060 N GLU A 69 -6.494 10.318 -30.151 1.00 0.00 N ATOM 1061 CA GLU A 69 -6.828 11.475 -30.956 1.00 0.00 C ATOM 1062 C GLU A 69 -6.232 12.722 -30.348 1.00 0.00 C ATOM 1063 O GLU A 69 -5.454 13.401 -30.987 1.00 0.00 O ATOM 1064 CB GLU A 69 -8.334 11.650 -31.096 1.00 0.00 C ATOM 1065 CG GLU A 69 -9.013 10.541 -31.842 1.00 0.00 C ATOM 1066 CD GLU A 69 -10.510 10.719 -31.910 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -11.208 10.461 -30.914 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -11.021 11.134 -32.967 1.00 0.00 O ATOM 0 H GLU A 69 -7.300 9.786 -29.821 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.411 11.312 -31.950 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.774 11.727 -30.102 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.533 12.592 -31.607 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.611 10.489 -32.854 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.785 9.591 -31.359 1.00 0.00 H new ATOM 1075 N ASP A 70 -6.564 12.981 -29.096 1.00 0.00 N ATOM 1076 CA ASP A 70 -6.059 14.159 -28.375 1.00 0.00 C ATOM 1077 C ASP A 70 -4.537 14.165 -28.320 1.00 0.00 C ATOM 1078 O ASP A 70 -3.909 15.195 -28.529 1.00 0.00 O ATOM 1079 CB ASP A 70 -6.660 14.223 -26.970 1.00 0.00 C ATOM 1080 CG ASP A 70 -6.126 15.365 -26.123 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -6.371 16.549 -26.454 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -5.501 15.093 -25.072 1.00 0.00 O ATOM 0 H ASP A 70 -7.187 12.391 -28.544 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.369 15.049 -28.922 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.742 14.320 -27.053 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.463 13.281 -26.458 1.00 0.00 H new ATOM 1087 N LEU A 71 -3.978 12.990 -28.115 1.00 0.00 N ATOM 1088 CA LEU A 71 -2.542 12.754 -28.050 1.00 0.00 C ATOM 1089 C LEU A 71 -1.870 13.279 -29.333 1.00 0.00 C ATOM 1090 O LEU A 71 -0.871 13.985 -29.287 1.00 0.00 O ATOM 1091 CB LEU A 71 -2.330 11.248 -27.946 1.00 0.00 C ATOM 1092 CG LEU A 71 -1.032 10.762 -27.341 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -1.007 11.068 -25.848 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -0.867 9.272 -27.588 1.00 0.00 C ATOM 0 H LEU A 71 -4.527 12.140 -27.984 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.107 13.268 -27.193 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.150 10.833 -27.359 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.411 10.828 -28.948 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.199 11.283 -27.814 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.069 10.715 -25.420 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.093 12.144 -25.696 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.841 10.564 -25.359 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.071 8.932 -27.148 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.698 8.733 -27.132 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.855 9.080 -28.661 1.00 0.00 H new ATOM 1106 N ILE A 72 -2.468 12.964 -30.462 1.00 0.00 N ATOM 1107 CA ILE A 72 -1.963 13.384 -31.764 1.00 0.00 C ATOM 1108 C ILE A 72 -2.326 14.838 -32.036 1.00 0.00 C ATOM 1109 O ILE A 72 -1.486 15.631 -32.459 1.00 0.00 O ATOM 1110 CB ILE A 72 -2.580 12.509 -32.873 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -2.200 11.055 -32.662 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -2.127 12.978 -34.257 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -3.198 10.099 -33.232 1.00 0.00 C ATOM 0 H ILE A 72 -3.322 12.408 -30.509 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.878 13.275 -31.758 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.664 12.605 -32.820 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.227 10.870 -33.118 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.093 10.865 -31.594 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.577 12.344 -35.021 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.440 14.010 -34.412 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.041 12.914 -34.325 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.868 9.076 -33.048 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.167 10.259 -32.758 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.288 10.264 -34.306 1.00 0.00 H new ATOM 1125 N ARG A 73 -3.565 15.193 -31.760 1.00 0.00 N ATOM 1126 CA ARG A 73 -4.064 16.517 -32.086 1.00 0.00 C ATOM 1127 C ARG A 73 -3.415 17.613 -31.236 1.00 0.00 C ATOM 1128 O ARG A 73 -3.401 18.781 -31.626 1.00 0.00 O ATOM 1129 CB ARG A 73 -5.601 16.590 -32.047 1.00 0.00 C ATOM 1130 CG ARG A 73 -6.293 15.526 -32.913 1.00 0.00 C ATOM 1131 CD ARG A 73 -7.771 15.812 -33.124 1.00 0.00 C ATOM 1132 NE ARG A 73 -7.992 17.050 -33.888 1.00 0.00 N ATOM 1133 CZ ARG A 73 -9.087 17.339 -34.611 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -10.085 16.468 -34.702 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -9.172 18.503 -35.247 1.00 0.00 N ATOM 0 H ARG A 73 -4.247 14.583 -31.310 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.768 16.708 -33.118 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.935 16.479 -31.015 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.917 17.578 -32.380 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.796 15.472 -33.881 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.180 14.550 -32.442 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.230 14.975 -33.650 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.266 15.891 -32.156 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.250 17.749 -33.867 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.024 15.571 -34.221 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.912 16.696 -35.253 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.407 19.175 -35.186 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.002 18.724 -35.796 1.00 0.00 H new ATOM 1149 N LEU A 74 -2.849 17.259 -30.089 1.00 0.00 N ATOM 1150 CA LEU A 74 -2.145 18.250 -29.308 1.00 0.00 C ATOM 1151 C LEU A 74 -0.697 18.373 -29.814 1.00 0.00 C ATOM 1152 O LEU A 74 -0.011 19.345 -29.542 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.270 17.999 -27.769 1.00 0.00 C ATOM 1154 CG LEU A 74 -1.491 16.835 -27.133 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -0.090 17.272 -26.758 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -2.220 16.307 -25.909 1.00 0.00 C ATOM 0 H LEU A 74 -2.865 16.319 -29.693 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.619 19.221 -29.453 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.965 18.914 -27.261 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.326 17.848 -27.546 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.421 16.033 -27.868 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.445 16.435 -26.310 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.439 17.604 -27.651 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.144 18.093 -26.043 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.652 15.484 -25.474 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.323 17.105 -25.174 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.209 15.952 -26.199 1.00 0.00 H new ATOM 1168 N LYS A 75 -0.260 17.387 -30.607 1.00 0.00 N ATOM 1169 CA LYS A 75 1.052 17.441 -31.256 1.00 0.00 C ATOM 1170 C LYS A 75 0.942 18.172 -32.588 1.00 0.00 C ATOM 1171 O LYS A 75 1.933 18.490 -33.228 1.00 0.00 O ATOM 1172 CB LYS A 75 1.714 16.046 -31.437 1.00 0.00 C ATOM 1173 CG LYS A 75 2.610 15.602 -30.269 1.00 0.00 C ATOM 1174 CD LYS A 75 1.840 15.436 -28.984 1.00 0.00 C ATOM 1175 CE LYS A 75 2.752 15.233 -27.776 1.00 0.00 C ATOM 1176 NZ LYS A 75 3.566 14.003 -27.847 1.00 0.00 N ATOM 0 H LYS A 75 -0.796 16.544 -30.813 1.00 0.00 H new ATOM 0 HA LYS A 75 1.713 17.995 -30.589 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.929 15.303 -31.578 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.310 16.058 -32.350 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.094 14.659 -30.524 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.402 16.337 -30.122 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.218 16.316 -28.821 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.168 14.583 -29.075 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.416 16.093 -27.685 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.143 15.203 -26.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.821 13.699 -26.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.019 13.251 -28.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.432 14.191 -28.392 1.00 0.00 H new ATOM 1190 N CYS A 76 -0.284 18.466 -32.982 1.00 0.00 N ATOM 1191 CA CYS A 76 -0.542 19.233 -34.193 1.00 0.00 C ATOM 1192 C CYS A 76 -0.271 20.709 -33.918 1.00 0.00 C ATOM 1193 O CYS A 76 -0.120 21.525 -34.823 1.00 0.00 O ATOM 1194 CB CYS A 76 -1.981 19.035 -34.648 1.00 0.00 C ATOM 1195 SG CYS A 76 -2.443 19.899 -36.175 1.00 0.00 S ATOM 0 H CYS A 76 -1.125 18.184 -32.478 1.00 0.00 H new ATOM 0 HA CYS A 76 0.117 18.886 -34.989 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.156 17.968 -34.788 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.645 19.365 -33.849 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.703 20.959 -36.315 1.00 0.00 H new ATOM 1201 N LEU A 77 -0.183 21.032 -32.649 1.00 0.00 N ATOM 1202 CA LEU A 77 0.098 22.374 -32.214 1.00 0.00 C ATOM 1203 C LEU A 77 1.600 22.616 -32.341 1.00 0.00 C ATOM 1204 O LEU A 77 2.069 23.752 -32.414 1.00 0.00 O ATOM 1205 CB LEU A 77 -0.323 22.522 -30.750 1.00 0.00 C ATOM 1206 CG LEU A 77 -1.751 22.073 -30.397 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -2.004 22.241 -28.914 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -2.795 22.833 -31.206 1.00 0.00 C ATOM 0 H LEU A 77 -0.306 20.365 -31.887 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.448 23.095 -32.822 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.375 21.954 -30.135 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.216 23.570 -30.468 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.840 21.017 -30.654 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.019 21.919 -28.679 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.292 21.636 -28.353 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.884 23.289 -28.641 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.791 22.489 -30.929 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.709 23.900 -30.999 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.632 22.655 -32.269 1.00 0.00 H new ATOM 1220 N ASP A 78 2.332 21.520 -32.409 1.00 0.00 N ATOM 1221 CA ASP A 78 3.783 21.534 -32.452 1.00 0.00 C ATOM 1222 C ASP A 78 4.236 21.768 -33.880 1.00 0.00 C ATOM 1223 O ASP A 78 5.201 22.496 -34.143 1.00 0.00 O ATOM 1224 CB ASP A 78 4.305 20.182 -31.989 1.00 0.00 C ATOM 1225 CG ASP A 78 5.674 20.254 -31.369 1.00 0.00 C ATOM 1226 OD1 ASP A 78 6.668 20.405 -32.085 1.00 0.00 O ATOM 1227 OD2 ASP A 78 5.765 20.138 -30.130 1.00 0.00 O ATOM 0 H ASP A 78 1.931 20.583 -32.436 1.00 0.00 H new ATOM 0 HA ASP A 78 4.163 22.325 -31.806 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.608 19.759 -31.266 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.334 19.501 -32.839 1.00 0.00 H new ATOM 1232 N LEU A 79 3.519 21.155 -34.807 1.00 0.00 N ATOM 1233 CA LEU A 79 3.824 21.278 -36.237 1.00 0.00 C ATOM 1234 C LEU A 79 3.285 22.644 -36.795 1.00 0.00 C ATOM 1235 O LEU A 79 2.644 23.385 -36.044 1.00 0.00 O ATOM 1236 CB LEU A 79 3.255 20.024 -36.964 1.00 0.00 C ATOM 1237 CG LEU A 79 1.740 19.807 -36.923 1.00 0.00 C ATOM 1238 CD1 LEU A 79 1.008 20.718 -37.883 1.00 0.00 C ATOM 1239 CD2 LEU A 79 1.408 18.369 -37.192 1.00 0.00 C ATOM 0 H LEU A 79 2.715 20.562 -34.601 1.00 0.00 H new ATOM 0 HA LEU A 79 4.899 21.301 -36.416 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.559 20.075 -38.010 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.732 19.142 -36.536 1.00 0.00 H new ATOM 0 HG LEU A 79 1.401 20.063 -35.919 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.063 20.528 -37.819 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.209 21.757 -37.623 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.351 20.526 -38.900 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.327 18.233 -37.159 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.779 18.088 -38.178 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.876 17.740 -36.435 1.00 0.00 H new ATOM 1251 N PRO A 80 3.534 23.003 -38.106 1.00 0.00 N ATOM 1252 CA PRO A 80 3.070 24.285 -38.667 1.00 0.00 C ATOM 1253 C PRO A 80 1.541 24.432 -38.602 1.00 0.00 C ATOM 1254 O PRO A 80 1.028 25.221 -37.800 1.00 0.00 O ATOM 1255 CB PRO A 80 3.553 24.279 -40.128 1.00 0.00 C ATOM 1256 CG PRO A 80 4.507 23.136 -40.252 1.00 0.00 C ATOM 1257 CD PRO A 80 4.266 22.204 -39.106 1.00 0.00 C ATOM 0 HA PRO A 80 3.466 25.126 -38.098 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.714 24.161 -40.814 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.040 25.221 -40.380 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.361 22.619 -41.200 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.536 23.496 -40.240 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.685 21.337 -39.419 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.205 21.829 -38.699 1.00 0.00 H new ATOM 1265 N ASP A 81 0.828 23.659 -39.426 1.00 0.00 N ATOM 1266 CA ASP A 81 -0.644 23.630 -39.448 1.00 0.00 C ATOM 1267 C ASP A 81 -1.087 22.582 -40.461 1.00 0.00 C ATOM 1268 O ASP A 81 -0.408 22.380 -41.476 1.00 0.00 O ATOM 1269 CB ASP A 81 -1.273 25.008 -39.819 1.00 0.00 C ATOM 1270 CG ASP A 81 -1.168 25.367 -41.290 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -0.081 25.805 -41.746 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -2.171 25.207 -42.021 1.00 0.00 O ATOM 0 H ASP A 81 1.257 23.029 -40.104 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.990 23.386 -38.443 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.325 25.003 -39.532 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.786 25.786 -39.231 1.00 0.00 H new ATOM 1277 N ILE A 82 -2.172 21.889 -40.168 1.00 0.00 N ATOM 1278 CA ILE A 82 -2.732 20.879 -41.047 1.00 0.00 C ATOM 1279 C ILE A 82 -4.130 20.520 -40.621 1.00 0.00 C ATOM 1280 O ILE A 82 -4.382 20.214 -39.456 1.00 0.00 O ATOM 1281 CB ILE A 82 -1.866 19.567 -41.154 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -2.629 18.460 -41.907 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.413 19.084 -39.791 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.832 17.198 -42.136 1.00 0.00 C ATOM 0 H ILE A 82 -2.696 22.013 -39.302 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.740 21.332 -42.038 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.972 19.812 -41.728 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.529 18.210 -41.346 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.953 18.851 -42.872 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.819 18.178 -39.905 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.809 19.856 -39.314 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.285 18.871 -39.172 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.445 16.473 -42.672 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.945 17.430 -42.726 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.530 16.779 -41.176 1.00 0.00 H new ATOM 1296 N ASP A 83 -5.036 20.618 -41.536 1.00 0.00 N ATOM 1297 CA ASP A 83 -6.361 20.128 -41.310 1.00 0.00 C ATOM 1298 C ASP A 83 -6.399 18.661 -41.648 1.00 0.00 C ATOM 1299 O ASP A 83 -6.339 18.275 -42.818 1.00 0.00 O ATOM 1300 CB ASP A 83 -7.417 20.871 -42.118 1.00 0.00 C ATOM 1301 CG ASP A 83 -8.797 20.277 -41.886 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -9.355 20.478 -40.780 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -9.330 19.604 -42.791 1.00 0.00 O ATOM 0 H ASP A 83 -4.885 21.035 -42.454 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.600 20.294 -40.259 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.419 21.925 -41.839 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.170 20.822 -43.178 1.00 0.00 H new ATOM 1308 N PHE A 84 -6.398 17.860 -40.636 1.00 0.00 N ATOM 1309 CA PHE A 84 -6.498 16.439 -40.798 1.00 0.00 C ATOM 1310 C PHE A 84 -7.587 15.938 -39.894 1.00 0.00 C ATOM 1311 O PHE A 84 -7.910 16.582 -38.883 1.00 0.00 O ATOM 1312 CB PHE A 84 -5.163 15.726 -40.459 1.00 0.00 C ATOM 1313 CG PHE A 84 -4.750 15.789 -38.999 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -4.039 16.861 -38.514 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -5.081 14.762 -38.120 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -3.663 16.919 -37.190 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -4.707 14.816 -36.792 1.00 0.00 C ATOM 1318 CZ PHE A 84 -3.996 15.897 -36.327 1.00 0.00 C ATOM 0 H PHE A 84 -6.328 18.169 -39.666 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.727 16.218 -41.841 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.244 14.679 -40.753 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.370 16.167 -41.064 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.772 17.668 -39.180 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.638 13.911 -38.482 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.105 17.769 -36.826 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.972 14.012 -36.121 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.700 15.945 -35.290 1.00 0.00 H new ATOM 1328 N ASP A 85 -8.157 14.843 -40.245 1.00 0.00 N ATOM 1329 CA ASP A 85 -9.142 14.199 -39.428 1.00 0.00 C ATOM 1330 C ASP A 85 -8.721 12.763 -39.323 1.00 0.00 C ATOM 1331 O ASP A 85 -8.394 12.146 -40.328 1.00 0.00 O ATOM 1332 CB ASP A 85 -10.540 14.316 -40.051 1.00 0.00 C ATOM 1333 CG ASP A 85 -11.622 13.789 -39.138 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -12.004 14.503 -38.187 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -12.100 12.656 -39.336 1.00 0.00 O ATOM 0 H ASP A 85 -7.956 14.356 -41.118 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.204 14.667 -38.445 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.744 15.361 -40.287 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.563 13.767 -40.992 1.00 0.00 H new ATOM 1340 N LEU A 86 -8.647 12.243 -38.148 1.00 0.00 N ATOM 1341 CA LEU A 86 -8.169 10.899 -37.995 1.00 0.00 C ATOM 1342 C LEU A 86 -9.255 10.035 -37.434 1.00 0.00 C ATOM 1343 O LEU A 86 -10.186 10.530 -36.801 1.00 0.00 O ATOM 1344 CB LEU A 86 -6.955 10.824 -37.059 1.00 0.00 C ATOM 1345 CG LEU A 86 -7.245 10.944 -35.547 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -6.063 10.533 -34.759 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -7.647 12.344 -35.139 1.00 0.00 C ATOM 0 H LEU A 86 -8.907 12.716 -37.282 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.868 10.549 -38.983 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.446 9.876 -37.235 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.260 11.616 -37.337 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.085 10.280 -35.341 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.285 10.624 -33.696 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.814 9.497 -34.990 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.218 11.174 -35.009 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.839 12.369 -34.066 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.842 13.039 -35.380 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.550 12.634 -35.676 1.00 0.00 H new ATOM 1359 N ASN A 87 -9.147 8.776 -37.665 1.00 0.00 N ATOM 1360 CA ASN A 87 -10.050 7.840 -37.118 1.00 0.00 C ATOM 1361 C ASN A 87 -9.282 6.736 -36.408 1.00 0.00 C ATOM 1362 O ASN A 87 -8.529 5.983 -37.041 1.00 0.00 O ATOM 1363 CB ASN A 87 -10.940 7.269 -38.214 1.00 0.00 C ATOM 1364 CG ASN A 87 -11.887 6.227 -37.682 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -11.493 5.006 -37.766 1.00 0.00 O flip ATOM 1366 ND2 ASN A 87 -12.971 6.530 -37.217 1.00 0.00 N flip ATOM 0 H ASN A 87 -8.418 8.365 -38.248 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.689 8.338 -36.389 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.510 8.075 -38.676 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.318 6.830 -38.995 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -13.249 7.510 -37.167 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -13.601 5.804 -36.877 1.00 0.00 H new ATOM 1373 N ILE A 88 -9.429 6.676 -35.112 1.00 0.00 N ATOM 1374 CA ILE A 88 -8.820 5.644 -34.306 1.00 0.00 C ATOM 1375 C ILE A 88 -9.725 4.431 -34.276 1.00 0.00 C ATOM 1376 O ILE A 88 -10.957 4.562 -34.174 1.00 0.00 O ATOM 1377 CB ILE A 88 -8.593 6.103 -32.843 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -7.661 7.312 -32.774 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -8.012 4.955 -32.022 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -6.271 7.026 -33.265 1.00 0.00 C ATOM 0 H ILE A 88 -9.980 7.348 -34.577 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.854 5.412 -34.755 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.558 6.397 -32.430 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.087 8.123 -33.365 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.609 7.662 -31.743 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.855 5.285 -30.995 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.705 4.114 -32.031 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.060 4.645 -32.453 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.665 7.928 -33.187 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.826 6.237 -32.659 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.312 6.705 -34.306 1.00 0.00 H new ATOM 1392 N MET A 89 -9.141 3.281 -34.377 1.00 0.00 N ATOM 1393 CA MET A 89 -9.850 2.052 -34.281 1.00 0.00 C ATOM 1394 C MET A 89 -8.880 1.017 -33.755 1.00 0.00 C ATOM 1395 O MET A 89 -7.682 1.231 -33.779 1.00 0.00 O ATOM 1396 CB MET A 89 -10.391 1.629 -35.665 1.00 0.00 C ATOM 1397 CG MET A 89 -9.326 1.092 -36.619 1.00 0.00 C ATOM 1398 SD MET A 89 -9.928 0.854 -38.302 1.00 0.00 S ATOM 1399 CE MET A 89 -9.927 2.519 -38.916 1.00 0.00 C ATOM 0 H MET A 89 -8.139 3.170 -34.531 1.00 0.00 H new ATOM 0 HA MET A 89 -10.706 2.154 -33.614 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.155 0.865 -35.525 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.879 2.486 -36.129 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.483 1.783 -36.637 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.952 0.142 -36.237 1.00 0.00 H new ATOM 0 HE1 MET A 89 -9.524 2.533 -39.929 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.947 2.904 -38.926 1.00 0.00 H new ATOM 0 HE3 MET A 89 -9.309 3.144 -38.271 1.00 0.00 H new ATOM 1409 N THR A 90 -9.375 -0.031 -33.226 1.00 0.00 N ATOM 1410 CA THR A 90 -8.573 -1.144 -32.840 1.00 0.00 C ATOM 1411 C THR A 90 -8.037 -1.858 -34.094 1.00 0.00 C ATOM 1412 O THR A 90 -8.700 -1.875 -35.129 1.00 0.00 O ATOM 1413 CB THR A 90 -9.449 -2.075 -32.009 1.00 0.00 C ATOM 1414 OG1 THR A 90 -10.816 -1.841 -32.397 1.00 0.00 O ATOM 1415 CG2 THR A 90 -9.302 -1.778 -30.536 1.00 0.00 C ATOM 0 H THR A 90 -10.371 -0.152 -33.041 1.00 0.00 H new ATOM 0 HA THR A 90 -7.713 -0.824 -32.251 1.00 0.00 H new ATOM 0 HB THR A 90 -9.153 -3.110 -32.181 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.301 -2.692 -32.417 1.00 0.00 H new ATOM 0 HG21 THR A 90 -9.936 -2.455 -29.963 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.262 -1.916 -30.239 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.601 -0.748 -30.341 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.837 -2.398 -33.998 1.00 0.00 N ATOM 1424 CA VAL A 91 -6.175 -3.143 -35.088 1.00 0.00 C ATOM 1425 C VAL A 91 -7.109 -4.232 -35.665 1.00 0.00 C ATOM 1426 O VAL A 91 -7.245 -4.383 -36.892 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.884 -3.816 -34.547 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -4.263 -4.759 -35.566 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.862 -2.786 -34.137 1.00 0.00 C ATOM 0 H VAL A 91 -6.272 -2.338 -33.151 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.929 -2.438 -35.882 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.182 -4.397 -33.674 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.363 -5.207 -35.146 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.976 -5.544 -35.817 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.004 -4.202 -36.467 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.970 -3.288 -33.763 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.599 -2.172 -34.998 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.278 -2.153 -33.353 1.00 0.00 H new ATOM 1439 N ASP A 92 -7.782 -4.931 -34.772 1.00 0.00 N ATOM 1440 CA ASP A 92 -8.700 -6.019 -35.129 1.00 0.00 C ATOM 1441 C ASP A 92 -9.904 -5.510 -35.879 1.00 0.00 C ATOM 1442 O ASP A 92 -10.476 -6.211 -36.707 1.00 0.00 O ATOM 1443 CB ASP A 92 -9.141 -6.803 -33.892 1.00 0.00 C ATOM 1444 CG ASP A 92 -8.046 -7.670 -33.326 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -7.190 -7.164 -32.559 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -8.018 -8.882 -33.646 1.00 0.00 O ATOM 0 H ASP A 92 -7.713 -4.766 -33.768 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.151 -6.692 -35.788 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.477 -6.104 -33.126 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.996 -7.428 -34.150 1.00 0.00 H new ATOM 1451 N ASP A 93 -10.259 -4.278 -35.617 1.00 0.00 N ATOM 1452 CA ASP A 93 -11.384 -3.632 -36.273 1.00 0.00 C ATOM 1453 C ASP A 93 -10.939 -2.960 -37.543 1.00 0.00 C ATOM 1454 O ASP A 93 -11.747 -2.529 -38.353 1.00 0.00 O ATOM 1455 CB ASP A 93 -12.061 -2.628 -35.344 1.00 0.00 C ATOM 1456 CG ASP A 93 -12.897 -3.291 -34.289 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -12.347 -3.735 -33.258 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -14.121 -3.378 -34.465 1.00 0.00 O ATOM 0 H ASP A 93 -9.778 -3.686 -34.940 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.114 -4.402 -36.524 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.300 -2.011 -34.865 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.689 -1.960 -35.933 1.00 0.00 H new ATOM 1463 N TYR A 94 -9.656 -2.914 -37.730 1.00 0.00 N ATOM 1464 CA TYR A 94 -9.079 -2.293 -38.874 1.00 0.00 C ATOM 1465 C TYR A 94 -8.942 -3.252 -40.019 1.00 0.00 C ATOM 1466 O TYR A 94 -9.556 -3.066 -41.078 1.00 0.00 O ATOM 1467 CB TYR A 94 -7.737 -1.677 -38.520 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.944 -1.156 -39.692 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -7.392 -0.076 -40.422 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -5.741 -1.749 -40.060 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -6.676 0.405 -41.484 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -5.011 -1.269 -41.128 1.00 0.00 C ATOM 1473 CZ TYR A 94 -5.491 -0.186 -41.837 1.00 0.00 C ATOM 1474 OH TYR A 94 -4.789 0.314 -42.906 1.00 0.00 O ATOM 0 H TYR A 94 -8.975 -3.312 -37.083 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.754 -1.500 -39.197 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.904 -0.858 -37.821 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.138 -2.424 -37.999 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.324 0.398 -40.151 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.373 -2.597 -39.502 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.045 1.251 -42.045 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.077 -1.734 -41.406 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.947 1.278 -42.979 1.00 0.00 H new ATOM 1484 N PHE A 95 -8.160 -4.281 -39.809 1.00 0.00 N ATOM 1485 CA PHE A 95 -7.873 -5.264 -40.850 1.00 0.00 C ATOM 1486 C PHE A 95 -9.120 -5.984 -41.338 1.00 0.00 C ATOM 1487 O PHE A 95 -9.178 -6.461 -42.451 1.00 0.00 O ATOM 1488 CB PHE A 95 -6.835 -6.262 -40.394 1.00 0.00 C ATOM 1489 CG PHE A 95 -5.442 -5.710 -40.307 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.862 -5.102 -41.409 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -4.703 -5.803 -39.132 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -3.584 -4.601 -41.342 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -3.420 -5.303 -39.071 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.867 -4.703 -40.172 1.00 0.00 C ATOM 0 H PHE A 95 -7.701 -4.470 -38.918 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.472 -4.703 -41.694 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.123 -6.646 -39.415 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.835 -7.108 -41.081 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.420 -5.021 -42.330 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -5.138 -6.271 -38.261 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.143 -4.128 -42.207 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.851 -5.384 -38.157 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.863 -4.308 -40.121 1.00 0.00 H new ATOM 1504 N ARG A 96 -10.124 -6.015 -40.506 1.00 0.00 N ATOM 1505 CA ARG A 96 -11.403 -6.619 -40.860 1.00 0.00 C ATOM 1506 C ARG A 96 -12.128 -5.824 -41.969 1.00 0.00 C ATOM 1507 O ARG A 96 -13.167 -6.239 -42.470 1.00 0.00 O ATOM 1508 CB ARG A 96 -12.279 -6.797 -39.611 1.00 0.00 C ATOM 1509 CG ARG A 96 -12.740 -5.516 -38.911 1.00 0.00 C ATOM 1510 CD ARG A 96 -14.043 -4.966 -39.489 1.00 0.00 C ATOM 1511 NE ARG A 96 -15.137 -5.944 -39.374 1.00 0.00 N ATOM 1512 CZ ARG A 96 -16.395 -5.759 -39.795 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -16.759 -4.609 -40.343 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -17.295 -6.730 -39.658 1.00 0.00 N ATOM 0 H ARG A 96 -10.091 -5.627 -39.563 1.00 0.00 H new ATOM 0 HA ARG A 96 -11.205 -7.609 -41.272 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -13.163 -7.369 -39.893 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.727 -7.400 -38.890 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.874 -5.716 -37.848 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.961 -4.759 -38.997 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -14.316 -4.049 -38.966 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.896 -4.704 -40.537 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.918 -6.839 -38.936 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -16.079 -3.856 -40.447 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -17.719 -4.477 -40.661 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -17.027 -7.617 -39.232 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -18.252 -6.587 -39.979 1.00 0.00 H new ATOM 1528 N GLN A 97 -11.605 -4.664 -42.297 1.00 0.00 N ATOM 1529 CA GLN A 97 -12.143 -3.864 -43.378 1.00 0.00 C ATOM 1530 C GLN A 97 -11.214 -4.006 -44.572 1.00 0.00 C ATOM 1531 O GLN A 97 -11.646 -4.243 -45.700 1.00 0.00 O ATOM 1532 CB GLN A 97 -12.184 -2.397 -42.968 1.00 0.00 C ATOM 1533 CG GLN A 97 -12.785 -2.164 -41.606 1.00 0.00 C ATOM 1534 CD GLN A 97 -12.649 -0.741 -41.164 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -11.529 -0.458 -40.611 1.00 0.00 O flip ATOM 1536 NE2 GLN A 97 -13.521 0.093 -41.376 1.00 0.00 N flip ATOM 0 H GLN A 97 -10.800 -4.249 -41.827 1.00 0.00 H new ATOM 0 HA GLN A 97 -13.152 -4.198 -43.620 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.170 -1.997 -42.981 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.757 -1.838 -43.708 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.840 -2.438 -41.625 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -12.299 -2.816 -40.880 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.396 -0.186 -41.820 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.372 1.066 -41.109 1.00 0.00 H new