USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=25 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 180:sc= 1 USER MOD Set 1.2: A 55 ASN : amide:sc= 1.47 K(o=4.8,f=3.9) USER MOD Set 1.3: A 56 SER OG : rot 157:sc= 1.89 USER MOD Set 1.4: A 94 TYR OH : rot 180:sc= 0.474 USER MOD Set 2.1: A 87 ASN : amide:sc= -0.351 K(o=-0.62,f=-0.046) USER MOD Set 2.2: A 89 MET CE :methyl 139:sc= -0.271 (180deg=-0.11) USER MOD Set 3.1: A 51 GLN : amide:sc= -0.571 X(o=-2.8,f=-3.1) USER MOD Set 3.2: A 53 ASN : amide:sc= -2.2 K(o=-2.8,f=-5.1!) USER MOD Set 4.1: A 34 TYR OH : rot 72:sc= 0.72 USER MOD Set 4.2: A 40 SER OG : rot -16:sc= 0.34 USER MOD Single : A 10 ASN : amide:sc= -1.81! K(o=-1.8!,f=-0.095) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.837 USER MOD Single : A 12 TYR OH : rot -131:sc= 0.2 USER MOD Single : A 18 TYR OH : rot -81:sc= 1.08 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0561 USER MOD Single : A 31 SER OG : rot 82:sc= 1.23 USER MOD Single : A 33 MET CE :methyl -164:sc= -1.9 (180deg=-2.66) USER MOD Single : A 36 MET CE :methyl 180:sc= -0.869 (180deg=-0.869) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc=-0.00186 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 26:sc= 0.506 USER MOD Single : A 61 THR OG1 : rot 153:sc= -2! USER MOD Single : A 62 SER OG : rot 180:sc= 0.00303 USER MOD Single : A 66 SER OG : rot -46:sc= 1.18 USER MOD Single : A 75 LYS NZ :NH3+ -130:sc= 1.25 (180deg=-0.125) USER MOD Single : A 76 CYS SG : rot -32:sc= -1.75 USER MOD Single : A 90 THR OG1 : rot -105:sc= 1.42 USER MOD Single : A 97 GLN : amide:sc= -1.75! K(o=-1.8!,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 122 N PHE A 9 0.364 -2.870 -22.626 1.00 0.00 N ATOM 123 CA PHE A 9 0.277 -2.047 -23.780 1.00 0.00 C ATOM 124 C PHE A 9 -0.720 -2.660 -24.724 1.00 0.00 C ATOM 125 O PHE A 9 -0.708 -3.877 -24.965 1.00 0.00 O ATOM 126 CB PHE A 9 1.637 -1.878 -24.447 1.00 0.00 C ATOM 127 CG PHE A 9 2.568 -0.957 -23.710 1.00 0.00 C ATOM 128 CD1 PHE A 9 3.163 -1.336 -22.517 1.00 0.00 C ATOM 129 CD2 PHE A 9 2.858 0.289 -24.228 1.00 0.00 C ATOM 130 CE1 PHE A 9 4.026 -0.484 -21.860 1.00 0.00 C ATOM 131 CE2 PHE A 9 3.715 1.142 -23.576 1.00 0.00 C ATOM 132 CZ PHE A 9 4.301 0.757 -22.390 1.00 0.00 C ATOM 0 HA PHE A 9 -0.054 -1.049 -23.492 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.109 -2.856 -24.541 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.490 -1.497 -25.458 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.949 -2.308 -22.098 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.405 0.598 -25.159 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.485 -0.790 -20.932 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.929 2.115 -23.993 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.975 1.427 -21.877 1.00 0.00 H new ATOM 142 N ASN A 10 -1.604 -1.857 -25.223 1.00 0.00 N ATOM 143 CA ASN A 10 -2.618 -2.343 -26.120 1.00 0.00 C ATOM 144 C ASN A 10 -2.147 -2.008 -27.519 1.00 0.00 C ATOM 145 O ASN A 10 -1.036 -1.468 -27.681 1.00 0.00 O ATOM 146 CB ASN A 10 -4.013 -1.702 -25.839 1.00 0.00 C ATOM 147 CG ASN A 10 -4.595 -1.915 -24.428 1.00 0.00 C ATOM 148 OD1 ASN A 10 -5.793 -2.130 -24.272 1.00 0.00 O ATOM 149 ND2 ASN A 10 -3.800 -1.739 -23.402 1.00 0.00 N ATOM 0 H ASN A 10 -1.649 -0.857 -25.027 1.00 0.00 H new ATOM 0 HA ASN A 10 -2.753 -3.416 -25.987 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.938 -0.630 -26.019 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.723 -2.098 -26.565 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.174 -1.780 -22.454 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.807 -1.561 -23.551 1.00 0.00 H new ATOM 156 N THR A 11 -2.916 -2.310 -28.515 1.00 0.00 N ATOM 157 CA THR A 11 -2.494 -2.027 -29.843 1.00 0.00 C ATOM 158 C THR A 11 -3.664 -1.452 -30.683 1.00 0.00 C ATOM 159 O THR A 11 -4.753 -2.050 -30.804 1.00 0.00 O ATOM 160 CB THR A 11 -1.808 -3.291 -30.477 1.00 0.00 C ATOM 161 OG1 THR A 11 -1.160 -2.978 -31.710 1.00 0.00 O ATOM 162 CG2 THR A 11 -2.789 -4.437 -30.687 1.00 0.00 C ATOM 0 H THR A 11 -3.833 -2.749 -28.433 1.00 0.00 H new ATOM 0 HA THR A 11 -1.734 -1.245 -29.829 1.00 0.00 H new ATOM 0 HB THR A 11 -1.055 -3.616 -29.759 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.743 -3.786 -32.075 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.267 -5.287 -31.127 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.216 -4.731 -29.728 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.587 -4.115 -31.356 1.00 0.00 H new ATOM 170 N TYR A 12 -3.449 -0.269 -31.210 1.00 0.00 N ATOM 171 CA TYR A 12 -4.449 0.433 -31.978 1.00 0.00 C ATOM 172 C TYR A 12 -3.955 0.754 -33.361 1.00 0.00 C ATOM 173 O TYR A 12 -2.766 0.687 -33.626 1.00 0.00 O ATOM 174 CB TYR A 12 -4.848 1.732 -31.306 1.00 0.00 C ATOM 175 CG TYR A 12 -5.674 1.619 -30.047 1.00 0.00 C ATOM 176 CD1 TYR A 12 -7.073 1.599 -30.095 1.00 0.00 C ATOM 177 CD2 TYR A 12 -5.060 1.609 -28.804 1.00 0.00 C ATOM 178 CE1 TYR A 12 -7.818 1.576 -28.927 1.00 0.00 C ATOM 179 CE2 TYR A 12 -5.796 1.568 -27.644 1.00 0.00 C ATOM 180 CZ TYR A 12 -7.170 1.558 -27.706 1.00 0.00 C ATOM 181 OH TYR A 12 -7.902 1.556 -26.537 1.00 0.00 O ATOM 0 H TYR A 12 -2.568 0.237 -31.117 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.311 -0.231 -32.041 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.939 2.285 -31.068 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.406 2.330 -32.026 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.576 1.602 -31.051 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.982 1.634 -28.746 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.897 1.572 -28.970 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.297 1.544 -26.687 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.553 2.243 -25.932 1.00 0.00 H new ATOM 191 N VAL A 13 -4.880 1.114 -34.207 1.00 0.00 N ATOM 192 CA VAL A 13 -4.642 1.521 -35.575 1.00 0.00 C ATOM 193 C VAL A 13 -5.379 2.835 -35.866 1.00 0.00 C ATOM 194 O VAL A 13 -6.488 3.055 -35.393 1.00 0.00 O ATOM 195 CB VAL A 13 -5.093 0.411 -36.581 1.00 0.00 C ATOM 196 CG1 VAL A 13 -5.222 0.943 -37.995 1.00 0.00 C ATOM 197 CG2 VAL A 13 -4.085 -0.699 -36.597 1.00 0.00 C ATOM 0 H VAL A 13 -5.868 1.134 -33.955 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.571 1.675 -35.704 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.067 0.055 -36.247 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.537 0.138 -38.659 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.963 1.742 -38.017 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.259 1.331 -38.327 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.403 -1.470 -37.299 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.116 -0.306 -36.905 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.002 -1.129 -35.599 1.00 0.00 H new ATOM 207 N VAL A 14 -4.759 3.694 -36.617 1.00 0.00 N ATOM 208 CA VAL A 14 -5.351 4.932 -36.999 1.00 0.00 C ATOM 209 C VAL A 14 -5.424 5.020 -38.510 1.00 0.00 C ATOM 210 O VAL A 14 -4.505 4.614 -39.201 1.00 0.00 O ATOM 211 CB VAL A 14 -4.586 6.143 -36.408 1.00 0.00 C ATOM 212 CG1 VAL A 14 -3.106 6.101 -36.757 1.00 0.00 C ATOM 213 CG2 VAL A 14 -5.218 7.460 -36.851 1.00 0.00 C ATOM 0 H VAL A 14 -3.818 3.550 -36.984 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.361 4.967 -36.591 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.665 6.078 -35.323 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.605 6.967 -36.324 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.664 5.189 -36.357 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.987 6.117 -37.840 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.661 8.293 -36.422 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.192 7.528 -37.939 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.252 7.500 -36.509 1.00 0.00 H new ATOM 223 N SER A 15 -6.525 5.489 -38.995 1.00 0.00 N ATOM 224 CA SER A 15 -6.733 5.677 -40.399 1.00 0.00 C ATOM 225 C SER A 15 -6.834 7.180 -40.650 1.00 0.00 C ATOM 226 O SER A 15 -7.720 7.833 -40.101 1.00 0.00 O ATOM 227 CB SER A 15 -8.034 4.964 -40.809 1.00 0.00 C ATOM 228 OG SER A 15 -8.218 4.949 -42.212 1.00 0.00 O ATOM 0 H SER A 15 -7.323 5.759 -38.419 1.00 0.00 H new ATOM 0 HA SER A 15 -5.915 5.261 -40.986 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.018 3.940 -40.436 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.882 5.461 -40.339 1.00 0.00 H new ATOM 0 HG SER A 15 -9.054 4.486 -42.427 1.00 0.00 H new ATOM 234 N PHE A 16 -5.900 7.735 -41.394 1.00 0.00 N ATOM 235 CA PHE A 16 -5.916 9.163 -41.682 1.00 0.00 C ATOM 236 C PHE A 16 -6.546 9.492 -43.015 1.00 0.00 C ATOM 237 O PHE A 16 -6.402 8.751 -43.992 1.00 0.00 O ATOM 238 CB PHE A 16 -4.510 9.765 -41.641 1.00 0.00 C ATOM 239 CG PHE A 16 -3.983 9.998 -40.269 1.00 0.00 C ATOM 240 CD1 PHE A 16 -3.290 9.019 -39.596 1.00 0.00 C ATOM 241 CD2 PHE A 16 -4.178 11.220 -39.654 1.00 0.00 C ATOM 242 CE1 PHE A 16 -2.804 9.254 -38.335 1.00 0.00 C ATOM 243 CE2 PHE A 16 -3.695 11.455 -38.394 1.00 0.00 C ATOM 244 CZ PHE A 16 -3.008 10.472 -37.732 1.00 0.00 C ATOM 0 H PHE A 16 -5.121 7.226 -41.811 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.529 9.604 -40.896 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.828 9.101 -42.172 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.517 10.712 -42.180 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.127 8.059 -40.063 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.717 11.999 -40.173 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.260 8.480 -37.815 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.856 12.414 -37.923 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.627 10.654 -36.738 1.00 0.00 H new ATOM 254 N ASP A 17 -7.259 10.589 -43.044 1.00 0.00 N ATOM 255 CA ASP A 17 -7.781 11.130 -44.278 1.00 0.00 C ATOM 256 C ASP A 17 -7.477 12.556 -44.349 1.00 0.00 C ATOM 257 O ASP A 17 -7.629 13.289 -43.356 1.00 0.00 O ATOM 258 CB ASP A 17 -9.257 10.943 -44.453 1.00 0.00 C ATOM 259 CG ASP A 17 -9.743 11.461 -45.810 1.00 0.00 C ATOM 260 OD1 ASP A 17 -9.307 10.918 -46.854 1.00 0.00 O ATOM 261 OD2 ASP A 17 -10.531 12.434 -45.867 1.00 0.00 O ATOM 0 H ASP A 17 -7.495 11.134 -42.215 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.297 10.573 -45.080 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.502 9.885 -44.360 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.786 11.464 -43.655 1.00 0.00 H new ATOM 266 N TYR A 18 -7.057 12.948 -45.487 1.00 0.00 N ATOM 267 CA TYR A 18 -6.647 14.264 -45.752 1.00 0.00 C ATOM 268 C TYR A 18 -6.450 14.375 -47.251 1.00 0.00 C ATOM 269 O TYR A 18 -6.184 13.354 -47.910 1.00 0.00 O ATOM 270 CB TYR A 18 -5.343 14.530 -44.977 1.00 0.00 C ATOM 271 CG TYR A 18 -4.125 13.722 -45.438 1.00 0.00 C ATOM 272 CD1 TYR A 18 -3.847 12.476 -44.889 1.00 0.00 C ATOM 273 CD2 TYR A 18 -3.266 14.207 -46.420 1.00 0.00 C ATOM 274 CE1 TYR A 18 -2.761 11.737 -45.307 1.00 0.00 C ATOM 275 CE2 TYR A 18 -2.176 13.475 -46.842 1.00 0.00 C ATOM 276 CZ TYR A 18 -1.928 12.241 -46.285 1.00 0.00 C ATOM 277 OH TYR A 18 -0.848 11.500 -46.716 1.00 0.00 O ATOM 0 H TYR A 18 -6.987 12.330 -46.295 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.380 15.005 -45.434 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.104 15.591 -45.055 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.519 14.320 -43.922 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.494 12.079 -44.121 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.457 15.175 -46.860 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.563 10.769 -44.871 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.521 13.868 -47.605 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.107 11.603 -46.083 1.00 0.00 H new ATOM 287 N PRO A 19 -6.654 15.551 -47.825 1.00 0.00 N ATOM 288 CA PRO A 19 -6.399 15.754 -49.229 1.00 0.00 C ATOM 289 C PRO A 19 -4.904 15.695 -49.529 1.00 0.00 C ATOM 290 O PRO A 19 -4.075 16.202 -48.746 1.00 0.00 O ATOM 291 CB PRO A 19 -6.953 17.142 -49.545 1.00 0.00 C ATOM 292 CG PRO A 19 -7.311 17.774 -48.245 1.00 0.00 C ATOM 293 CD PRO A 19 -7.189 16.743 -47.160 1.00 0.00 C ATOM 0 HA PRO A 19 -6.867 14.979 -49.836 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.212 17.742 -50.074 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.827 17.070 -50.193 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.652 18.618 -48.041 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.328 18.165 -48.282 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.524 17.083 -46.366 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.156 16.538 -46.701 1.00 0.00 H new ATOM 301 N SER A 20 -4.569 15.132 -50.670 1.00 0.00 N ATOM 302 CA SER A 20 -3.194 14.935 -51.102 1.00 0.00 C ATOM 303 C SER A 20 -2.451 16.270 -51.308 1.00 0.00 C ATOM 304 O SER A 20 -1.232 16.303 -51.398 1.00 0.00 O ATOM 305 CB SER A 20 -3.187 14.088 -52.368 1.00 0.00 C ATOM 306 OG SER A 20 -3.887 12.871 -52.134 1.00 0.00 O ATOM 0 H SER A 20 -5.257 14.790 -51.341 1.00 0.00 H new ATOM 0 HA SER A 20 -2.653 14.410 -50.315 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.654 14.636 -53.186 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.161 13.877 -52.670 1.00 0.00 H new ATOM 0 HG SER A 20 -3.882 12.329 -52.950 1.00 0.00 H new ATOM 312 N SER A 21 -3.199 17.362 -51.342 1.00 0.00 N ATOM 313 CA SER A 21 -2.637 18.695 -51.414 1.00 0.00 C ATOM 314 C SER A 21 -1.802 18.992 -50.148 1.00 0.00 C ATOM 315 O SER A 21 -0.943 19.867 -50.149 1.00 0.00 O ATOM 316 CB SER A 21 -3.767 19.708 -51.556 1.00 0.00 C ATOM 317 OG SER A 21 -4.605 19.381 -52.667 1.00 0.00 O ATOM 0 H SER A 21 -4.219 17.344 -51.320 1.00 0.00 H new ATOM 0 HA SER A 21 -1.979 18.766 -52.280 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.360 19.729 -50.641 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.351 20.707 -51.690 1.00 0.00 H new ATOM 0 HG SER A 21 -5.325 20.042 -52.740 1.00 0.00 H new ATOM 323 N TYR A 22 -2.065 18.254 -49.078 1.00 0.00 N ATOM 324 CA TYR A 22 -1.310 18.387 -47.847 1.00 0.00 C ATOM 325 C TYR A 22 -0.291 17.274 -47.701 1.00 0.00 C ATOM 326 O TYR A 22 0.156 17.005 -46.595 1.00 0.00 O ATOM 327 CB TYR A 22 -2.224 18.351 -46.636 1.00 0.00 C ATOM 328 CG TYR A 22 -3.172 19.494 -46.504 1.00 0.00 C ATOM 329 CD1 TYR A 22 -2.757 20.702 -45.985 1.00 0.00 C ATOM 330 CD2 TYR A 22 -4.486 19.352 -46.863 1.00 0.00 C ATOM 331 CE1 TYR A 22 -3.635 21.747 -45.832 1.00 0.00 C ATOM 332 CE2 TYR A 22 -5.377 20.386 -46.722 1.00 0.00 C ATOM 333 CZ TYR A 22 -4.949 21.587 -46.202 1.00 0.00 C ATOM 334 OH TYR A 22 -5.835 22.624 -46.046 1.00 0.00 O ATOM 0 H TYR A 22 -2.804 17.551 -49.042 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.800 19.349 -47.898 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.801 17.427 -46.667 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.606 18.311 -45.739 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.725 20.829 -45.694 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.827 18.409 -47.264 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.295 22.688 -45.424 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.408 20.259 -47.017 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.722 22.346 -46.357 1.00 0.00 H new ATOM 344 N SER A 23 0.107 16.665 -48.799 1.00 0.00 N ATOM 345 CA SER A 23 1.075 15.576 -48.772 1.00 0.00 C ATOM 346 C SER A 23 2.370 16.042 -48.106 1.00 0.00 C ATOM 347 O SER A 23 2.822 15.450 -47.136 1.00 0.00 O ATOM 348 CB SER A 23 1.342 15.066 -50.203 1.00 0.00 C ATOM 349 OG SER A 23 2.282 14.001 -50.230 1.00 0.00 O ATOM 0 H SER A 23 -0.226 16.905 -49.733 1.00 0.00 H new ATOM 0 HA SER A 23 0.668 14.751 -48.188 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.405 14.732 -50.648 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.710 15.888 -50.816 1.00 0.00 H new ATOM 0 HG SER A 23 2.419 13.709 -51.155 1.00 0.00 H new ATOM 355 N SER A 24 2.866 17.179 -48.539 1.00 0.00 N ATOM 356 CA SER A 24 4.124 17.718 -48.064 1.00 0.00 C ATOM 357 C SER A 24 4.001 18.230 -46.623 1.00 0.00 C ATOM 358 O SER A 24 4.987 18.356 -45.892 1.00 0.00 O ATOM 359 CB SER A 24 4.558 18.825 -49.024 1.00 0.00 C ATOM 360 OG SER A 24 3.462 19.701 -49.297 1.00 0.00 O ATOM 0 H SER A 24 2.405 17.762 -49.237 1.00 0.00 H new ATOM 0 HA SER A 24 4.882 16.935 -48.045 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.384 19.389 -48.591 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.923 18.388 -49.953 1.00 0.00 H new ATOM 0 HG SER A 24 3.753 20.407 -49.912 1.00 0.00 H new ATOM 366 N VAL A 25 2.778 18.433 -46.212 1.00 0.00 N ATOM 367 CA VAL A 25 2.461 18.967 -44.914 1.00 0.00 C ATOM 368 C VAL A 25 2.340 17.841 -43.913 1.00 0.00 C ATOM 369 O VAL A 25 2.807 17.928 -42.775 1.00 0.00 O ATOM 370 CB VAL A 25 1.124 19.742 -44.974 1.00 0.00 C ATOM 371 CG1 VAL A 25 0.640 20.107 -43.591 1.00 0.00 C ATOM 372 CG2 VAL A 25 1.262 20.978 -45.841 1.00 0.00 C ATOM 0 H VAL A 25 1.957 18.228 -46.782 1.00 0.00 H new ATOM 0 HA VAL A 25 3.258 19.644 -44.607 1.00 0.00 H new ATOM 0 HB VAL A 25 0.377 19.088 -45.424 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.302 20.651 -43.667 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.489 19.199 -43.007 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.383 20.735 -43.099 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.311 21.510 -45.871 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.030 21.630 -45.425 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.545 20.684 -46.852 1.00 0.00 H new ATOM 382 N PHE A 26 1.775 16.771 -44.357 1.00 0.00 N ATOM 383 CA PHE A 26 1.492 15.664 -43.525 1.00 0.00 C ATOM 384 C PHE A 26 2.753 14.896 -43.178 1.00 0.00 C ATOM 385 O PHE A 26 2.814 14.206 -42.162 1.00 0.00 O ATOM 386 CB PHE A 26 0.447 14.791 -44.197 1.00 0.00 C ATOM 387 CG PHE A 26 0.475 13.374 -43.730 1.00 0.00 C ATOM 388 CD1 PHE A 26 -0.129 13.013 -42.541 1.00 0.00 C ATOM 389 CD2 PHE A 26 1.162 12.413 -44.455 1.00 0.00 C ATOM 390 CE1 PHE A 26 -0.044 11.719 -42.086 1.00 0.00 C ATOM 391 CE2 PHE A 26 1.241 11.120 -44.007 1.00 0.00 C ATOM 392 CZ PHE A 26 0.643 10.772 -42.824 1.00 0.00 C ATOM 0 H PHE A 26 1.493 16.644 -45.329 1.00 0.00 H new ATOM 0 HA PHE A 26 1.086 16.016 -42.577 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.542 15.209 -44.009 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.603 14.814 -45.276 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.670 13.751 -41.967 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.641 12.686 -45.384 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.513 11.442 -41.153 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.773 10.378 -44.584 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.708 9.755 -42.467 1.00 0.00 H new ATOM 402 N LEU A 27 3.779 15.059 -43.976 1.00 0.00 N ATOM 403 CA LEU A 27 5.037 14.371 -43.728 1.00 0.00 C ATOM 404 C LEU A 27 5.646 14.861 -42.421 1.00 0.00 C ATOM 405 O LEU A 27 6.466 14.195 -41.801 1.00 0.00 O ATOM 406 CB LEU A 27 6.010 14.588 -44.863 1.00 0.00 C ATOM 407 CG LEU A 27 5.460 14.368 -46.261 1.00 0.00 C ATOM 408 CD1 LEU A 27 6.542 14.510 -47.281 1.00 0.00 C ATOM 409 CD2 LEU A 27 4.740 13.037 -46.382 1.00 0.00 C ATOM 0 H LEU A 27 3.776 15.658 -44.802 1.00 0.00 H new ATOM 0 HA LEU A 27 4.833 13.303 -43.656 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.390 15.608 -44.800 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.860 13.921 -44.719 1.00 0.00 H new ATOM 0 HG LEU A 27 4.716 15.141 -46.453 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.127 14.349 -48.276 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.967 15.512 -47.223 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.322 13.773 -47.089 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.362 12.919 -47.397 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.433 12.227 -46.156 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.907 13.009 -45.679 1.00 0.00 H new ATOM 421 N ARG A 28 5.192 16.005 -41.993 1.00 0.00 N ATOM 422 CA ARG A 28 5.616 16.558 -40.746 1.00 0.00 C ATOM 423 C ARG A 28 4.926 15.778 -39.636 1.00 0.00 C ATOM 424 O ARG A 28 5.559 15.280 -38.736 1.00 0.00 O ATOM 425 CB ARG A 28 5.261 18.048 -40.681 1.00 0.00 C ATOM 426 CG ARG A 28 5.768 18.853 -41.881 1.00 0.00 C ATOM 427 CD ARG A 28 7.255 18.636 -42.123 1.00 0.00 C ATOM 428 NE ARG A 28 8.066 19.070 -40.967 1.00 0.00 N ATOM 429 CZ ARG A 28 9.380 19.340 -40.991 1.00 0.00 C ATOM 430 NH1 ARG A 28 10.085 19.168 -42.109 1.00 0.00 N ATOM 431 NH2 ARG A 28 9.984 19.782 -39.886 1.00 0.00 N ATOM 0 H ARG A 28 4.518 16.577 -42.501 1.00 0.00 H new ATOM 0 HA ARG A 28 6.697 16.478 -40.634 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.178 18.152 -40.616 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.677 18.472 -39.768 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.210 18.567 -42.772 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.578 19.913 -41.713 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.441 17.581 -42.322 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.563 19.187 -43.011 1.00 0.00 H new ATOM 0 HE ARG A 28 7.585 19.173 -40.073 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.626 18.829 -42.954 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.084 19.376 -42.119 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.447 19.913 -39.029 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.983 19.989 -39.899 1.00 0.00 H new ATOM 445 N LEU A 29 3.632 15.576 -39.808 1.00 0.00 N ATOM 446 CA LEU A 29 2.794 14.848 -38.857 1.00 0.00 C ATOM 447 C LEU A 29 3.235 13.368 -38.791 1.00 0.00 C ATOM 448 O LEU A 29 3.180 12.745 -37.732 1.00 0.00 O ATOM 449 CB LEU A 29 1.301 15.000 -39.293 1.00 0.00 C ATOM 450 CG LEU A 29 0.158 14.519 -38.344 1.00 0.00 C ATOM 451 CD1 LEU A 29 -0.052 13.032 -38.412 1.00 0.00 C ATOM 452 CD2 LEU A 29 0.412 14.938 -36.901 1.00 0.00 C ATOM 0 H LEU A 29 3.121 15.916 -40.623 1.00 0.00 H new ATOM 0 HA LEU A 29 2.904 15.258 -37.853 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.129 16.057 -39.498 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.183 14.469 -40.237 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.751 15.006 -38.696 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.857 12.747 -37.734 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.317 12.748 -39.430 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.866 12.521 -38.120 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.404 14.585 -36.271 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.350 14.504 -36.556 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.472 16.025 -36.843 1.00 0.00 H new ATOM 464 N ARG A 30 3.719 12.822 -39.916 1.00 0.00 N ATOM 465 CA ARG A 30 4.170 11.422 -39.931 1.00 0.00 C ATOM 466 C ARG A 30 5.439 11.305 -39.103 1.00 0.00 C ATOM 467 O ARG A 30 5.650 10.333 -38.386 1.00 0.00 O ATOM 468 CB ARG A 30 4.396 10.884 -41.361 1.00 0.00 C ATOM 469 CG ARG A 30 5.713 11.289 -41.999 1.00 0.00 C ATOM 470 CD ARG A 30 5.876 10.766 -43.409 1.00 0.00 C ATOM 471 NE ARG A 30 7.154 11.200 -43.996 1.00 0.00 N ATOM 472 CZ ARG A 30 7.750 10.644 -45.061 1.00 0.00 C ATOM 473 NH1 ARG A 30 7.286 9.512 -45.580 1.00 0.00 N ATOM 474 NH2 ARG A 30 8.837 11.208 -45.573 1.00 0.00 N ATOM 0 H ARG A 30 3.807 13.313 -40.806 1.00 0.00 H new ATOM 0 HA ARG A 30 3.381 10.807 -39.498 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.341 9.796 -41.336 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.580 11.230 -41.996 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.785 12.377 -42.011 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.535 10.922 -41.385 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.827 9.677 -43.403 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.051 11.119 -44.028 1.00 0.00 H new ATOM 0 HE ARG A 30 7.626 11.990 -43.556 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.470 9.059 -45.168 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.746 9.096 -46.390 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.214 12.059 -45.157 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.295 10.790 -46.383 1.00 0.00 H new ATOM 488 N SER A 31 6.237 12.347 -39.168 1.00 0.00 N ATOM 489 CA SER A 31 7.463 12.430 -38.407 1.00 0.00 C ATOM 490 C SER A 31 7.151 12.467 -36.917 1.00 0.00 C ATOM 491 O SER A 31 7.903 11.939 -36.100 1.00 0.00 O ATOM 492 CB SER A 31 8.283 13.645 -38.842 1.00 0.00 C ATOM 493 OG SER A 31 8.583 13.571 -40.237 1.00 0.00 O ATOM 0 H SER A 31 6.053 13.163 -39.752 1.00 0.00 H new ATOM 0 HA SER A 31 8.065 11.543 -38.602 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.729 14.560 -38.631 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.208 13.692 -38.267 1.00 0.00 H new ATOM 0 HG SER A 31 7.816 13.895 -40.754 1.00 0.00 H new ATOM 499 N LEU A 32 6.012 13.047 -36.581 1.00 0.00 N ATOM 500 CA LEU A 32 5.546 13.093 -35.204 1.00 0.00 C ATOM 501 C LEU A 32 5.128 11.709 -34.733 1.00 0.00 C ATOM 502 O LEU A 32 5.375 11.339 -33.596 1.00 0.00 O ATOM 503 CB LEU A 32 4.375 14.074 -35.038 1.00 0.00 C ATOM 504 CG LEU A 32 4.699 15.562 -34.756 1.00 0.00 C ATOM 505 CD1 LEU A 32 5.391 15.715 -33.419 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.550 16.184 -35.841 1.00 0.00 C ATOM 0 H LEU A 32 5.387 13.497 -37.249 1.00 0.00 H new ATOM 0 HA LEU A 32 6.376 13.444 -34.591 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.774 14.031 -35.946 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.749 13.710 -34.224 1.00 0.00 H new ATOM 0 HG LEU A 32 3.745 16.090 -34.737 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.610 16.768 -33.241 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.741 15.340 -32.628 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.321 15.147 -33.424 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.748 17.227 -35.595 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.494 15.644 -35.918 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.022 16.130 -36.793 1.00 0.00 H new ATOM 518 N MET A 33 4.501 10.951 -35.620 1.00 0.00 N ATOM 519 CA MET A 33 4.037 9.600 -35.319 1.00 0.00 C ATOM 520 C MET A 33 5.168 8.713 -34.859 1.00 0.00 C ATOM 521 O MET A 33 5.081 8.086 -33.813 1.00 0.00 O ATOM 522 CB MET A 33 3.449 8.941 -36.543 1.00 0.00 C ATOM 523 CG MET A 33 2.341 9.670 -37.204 1.00 0.00 C ATOM 524 SD MET A 33 1.753 8.731 -38.609 1.00 0.00 S ATOM 525 CE MET A 33 0.502 9.810 -39.231 1.00 0.00 C ATOM 0 H MET A 33 4.298 11.254 -36.572 1.00 0.00 H new ATOM 0 HA MET A 33 3.289 9.709 -34.533 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.247 8.795 -37.271 1.00 0.00 H new ATOM 0 HB3 MET A 33 3.089 7.951 -36.261 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.527 9.833 -36.497 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.682 10.653 -37.529 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.144 9.261 -39.917 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.092 10.194 -38.402 1.00 0.00 H new ATOM 0 HE3 MET A 33 0.968 10.642 -39.759 1.00 0.00 H new ATOM 535 N TYR A 34 6.226 8.667 -35.645 1.00 0.00 N ATOM 536 CA TYR A 34 7.339 7.770 -35.359 1.00 0.00 C ATOM 537 C TYR A 34 8.228 8.344 -34.278 1.00 0.00 C ATOM 538 O TYR A 34 9.092 7.661 -33.735 1.00 0.00 O ATOM 539 CB TYR A 34 8.123 7.486 -36.622 1.00 0.00 C ATOM 540 CG TYR A 34 7.244 7.015 -37.768 1.00 0.00 C ATOM 541 CD1 TYR A 34 6.438 5.870 -37.658 1.00 0.00 C ATOM 542 CD2 TYR A 34 7.204 7.725 -38.955 1.00 0.00 C ATOM 543 CE1 TYR A 34 5.630 5.477 -38.705 1.00 0.00 C ATOM 544 CE2 TYR A 34 6.402 7.329 -40.000 1.00 0.00 C ATOM 545 CZ TYR A 34 5.617 6.210 -39.869 1.00 0.00 C ATOM 546 OH TYR A 34 4.808 5.822 -40.909 1.00 0.00 O ATOM 0 H TYR A 34 6.342 9.236 -36.484 1.00 0.00 H new ATOM 0 HA TYR A 34 6.939 6.826 -34.989 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.654 8.388 -36.925 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.877 6.727 -36.413 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.451 5.292 -36.746 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.815 8.609 -39.063 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.010 4.598 -38.611 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.390 7.896 -40.919 1.00 0.00 H new ATOM 0 HH TYR A 34 3.873 6.008 -40.683 1.00 0.00 H new ATOM 556 N ASP A 35 8.039 9.619 -34.014 1.00 0.00 N ATOM 557 CA ASP A 35 8.673 10.292 -32.879 1.00 0.00 C ATOM 558 C ASP A 35 8.006 9.806 -31.599 1.00 0.00 C ATOM 559 O ASP A 35 8.623 9.722 -30.529 1.00 0.00 O ATOM 560 CB ASP A 35 8.520 11.811 -33.011 1.00 0.00 C ATOM 561 CG ASP A 35 9.048 12.575 -31.825 1.00 0.00 C ATOM 562 OD1 ASP A 35 10.285 12.709 -31.693 1.00 0.00 O ATOM 563 OD2 ASP A 35 8.234 13.091 -31.019 1.00 0.00 O ATOM 0 H ASP A 35 7.442 10.227 -34.575 1.00 0.00 H new ATOM 0 HA ASP A 35 9.738 10.059 -32.856 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.041 12.144 -33.909 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.466 12.051 -33.147 1.00 0.00 H new ATOM 568 N MET A 36 6.741 9.479 -31.745 1.00 0.00 N ATOM 569 CA MET A 36 5.925 8.923 -30.704 1.00 0.00 C ATOM 570 C MET A 36 5.925 7.379 -30.810 1.00 0.00 C ATOM 571 O MET A 36 6.886 6.780 -31.298 1.00 0.00 O ATOM 572 CB MET A 36 4.500 9.507 -30.802 1.00 0.00 C ATOM 573 CG MET A 36 4.410 10.968 -30.381 1.00 0.00 C ATOM 574 SD MET A 36 2.729 11.647 -30.475 1.00 0.00 S ATOM 575 CE MET A 36 2.468 11.698 -32.244 1.00 0.00 C ATOM 0 H MET A 36 6.241 9.600 -32.626 1.00 0.00 H new ATOM 0 HA MET A 36 6.329 9.187 -29.727 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.147 9.411 -31.829 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.830 8.916 -30.178 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.776 11.067 -29.359 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.069 11.562 -31.015 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.475 12.094 -32.454 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.219 12.339 -32.704 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.551 10.691 -32.653 1.00 0.00 H new ATOM 585 N ASN A 37 4.865 6.747 -30.361 1.00 0.00 N ATOM 586 CA ASN A 37 4.797 5.277 -30.295 1.00 0.00 C ATOM 587 C ASN A 37 4.232 4.608 -31.544 1.00 0.00 C ATOM 588 O ASN A 37 4.099 3.376 -31.578 1.00 0.00 O ATOM 589 CB ASN A 37 4.002 4.829 -29.073 1.00 0.00 C ATOM 590 CG ASN A 37 4.846 4.670 -27.832 1.00 0.00 C ATOM 591 OD1 ASN A 37 5.309 3.578 -27.520 1.00 0.00 O ATOM 592 ND2 ASN A 37 5.068 5.738 -27.123 1.00 0.00 N ATOM 0 H ASN A 37 4.024 7.219 -30.030 1.00 0.00 H new ATOM 0 HA ASN A 37 5.834 4.951 -30.218 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.213 5.555 -28.876 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.514 3.880 -29.295 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.641 5.681 -26.281 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.669 6.632 -27.409 1.00 0.00 H new ATOM 599 N PHE A 38 3.871 5.382 -32.546 1.00 0.00 N ATOM 600 CA PHE A 38 3.303 4.826 -33.781 1.00 0.00 C ATOM 601 C PHE A 38 4.311 3.981 -34.581 1.00 0.00 C ATOM 602 O PHE A 38 5.532 4.079 -34.392 1.00 0.00 O ATOM 603 CB PHE A 38 2.742 5.924 -34.663 1.00 0.00 C ATOM 604 CG PHE A 38 1.634 6.669 -34.015 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.901 7.772 -33.230 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.326 6.256 -34.166 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.897 8.450 -32.610 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.689 6.937 -33.547 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.393 8.035 -32.764 1.00 0.00 C ATOM 0 H PHE A 38 3.956 6.398 -32.541 1.00 0.00 H new ATOM 0 HA PHE A 38 2.498 4.161 -33.468 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.540 6.620 -34.922 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.385 5.488 -35.596 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.922 8.102 -33.106 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.101 5.392 -34.775 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.121 9.312 -31.999 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.713 6.617 -33.671 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.190 8.570 -32.269 1.00 0.00 H new ATOM 619 N SER A 39 3.801 3.145 -35.450 1.00 0.00 N ATOM 620 CA SER A 39 4.618 2.274 -36.266 1.00 0.00 C ATOM 621 C SER A 39 4.025 2.093 -37.663 1.00 0.00 C ATOM 622 O SER A 39 2.849 2.429 -37.905 1.00 0.00 O ATOM 623 CB SER A 39 4.735 0.929 -35.592 1.00 0.00 C ATOM 624 OG SER A 39 5.283 1.065 -34.279 1.00 0.00 O ATOM 0 H SER A 39 2.799 3.047 -35.615 1.00 0.00 H new ATOM 0 HA SER A 39 5.601 2.732 -36.375 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.753 0.460 -35.534 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.368 0.272 -36.189 1.00 0.00 H new ATOM 0 HG SER A 39 5.349 0.182 -33.859 1.00 0.00 H new ATOM 630 N SER A 40 4.836 1.555 -38.557 1.00 0.00 N ATOM 631 CA SER A 40 4.473 1.325 -39.932 1.00 0.00 C ATOM 632 C SER A 40 4.105 -0.126 -40.180 1.00 0.00 C ATOM 633 O SER A 40 3.469 -0.447 -41.200 1.00 0.00 O ATOM 634 CB SER A 40 5.645 1.676 -40.797 1.00 0.00 C ATOM 635 OG SER A 40 6.149 2.945 -40.455 1.00 0.00 O ATOM 0 H SER A 40 5.787 1.261 -38.335 1.00 0.00 H new ATOM 0 HA SER A 40 3.605 1.941 -40.166 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.427 0.925 -40.682 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.346 1.668 -41.845 1.00 0.00 H new ATOM 0 HG SER A 40 5.485 3.428 -39.920 1.00 0.00 H new ATOM 641 N ILE A 41 4.542 -0.989 -39.296 1.00 0.00 N ATOM 642 CA ILE A 41 4.271 -2.409 -39.370 1.00 0.00 C ATOM 643 C ILE A 41 3.669 -2.868 -38.050 1.00 0.00 C ATOM 644 O ILE A 41 4.032 -2.358 -36.977 1.00 0.00 O ATOM 645 CB ILE A 41 5.586 -3.263 -39.670 1.00 0.00 C ATOM 646 CG1 ILE A 41 5.976 -3.281 -41.152 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.512 -4.694 -39.147 1.00 0.00 C ATOM 648 CD1 ILE A 41 6.469 -1.981 -41.692 1.00 0.00 C ATOM 0 H ILE A 41 5.106 -0.722 -38.489 1.00 0.00 H new ATOM 0 HA ILE A 41 3.577 -2.572 -40.194 1.00 0.00 H new ATOM 0 HB ILE A 41 6.367 -2.739 -39.119 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.750 -4.035 -41.299 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.111 -3.594 -41.736 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.438 -5.217 -39.385 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.371 -4.680 -38.066 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.674 -5.210 -39.615 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.719 -2.096 -42.747 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.692 -1.224 -41.584 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.357 -1.671 -41.141 1.00 0.00 H new ATOM 660 N VAL A 42 2.743 -3.778 -38.140 1.00 0.00 N ATOM 661 CA VAL A 42 2.161 -4.418 -36.993 1.00 0.00 C ATOM 662 C VAL A 42 1.648 -5.780 -37.443 1.00 0.00 C ATOM 663 O VAL A 42 1.274 -5.953 -38.612 1.00 0.00 O ATOM 664 CB VAL A 42 1.022 -3.564 -36.342 1.00 0.00 C ATOM 665 CG1 VAL A 42 -0.124 -3.384 -37.291 1.00 0.00 C ATOM 666 CG2 VAL A 42 0.545 -4.161 -35.023 1.00 0.00 C ATOM 0 H VAL A 42 2.363 -4.103 -39.029 1.00 0.00 H new ATOM 0 HA VAL A 42 2.917 -4.529 -36.216 1.00 0.00 H new ATOM 0 HB VAL A 42 1.442 -2.583 -36.121 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.901 -2.787 -36.814 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.224 -2.875 -38.190 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.530 -4.359 -37.561 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.245 -3.537 -34.606 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.160 -5.166 -35.197 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.379 -4.208 -34.322 1.00 0.00 H new ATOM 676 N ALA A 43 1.723 -6.737 -36.578 1.00 0.00 N ATOM 677 CA ALA A 43 1.260 -8.067 -36.861 1.00 0.00 C ATOM 678 C ALA A 43 -0.260 -8.142 -36.791 1.00 0.00 C ATOM 679 O ALA A 43 -0.892 -7.469 -35.971 1.00 0.00 O ATOM 680 CB ALA A 43 1.887 -9.052 -35.894 1.00 0.00 C ATOM 0 H ALA A 43 2.111 -6.622 -35.642 1.00 0.00 H new ATOM 0 HA ALA A 43 1.562 -8.328 -37.875 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.530 -10.058 -36.116 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.972 -9.021 -35.996 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.611 -8.786 -34.874 1.00 0.00 H new ATOM 686 N ASP A 44 -0.829 -8.934 -37.662 1.00 0.00 N ATOM 687 CA ASP A 44 -2.271 -9.174 -37.696 1.00 0.00 C ATOM 688 C ASP A 44 -2.621 -10.368 -36.801 1.00 0.00 C ATOM 689 O ASP A 44 -1.794 -10.793 -35.981 1.00 0.00 O ATOM 690 CB ASP A 44 -2.758 -9.418 -39.150 1.00 0.00 C ATOM 691 CG ASP A 44 -2.090 -10.585 -39.868 1.00 0.00 C ATOM 692 OD1 ASP A 44 -1.431 -11.417 -39.215 1.00 0.00 O ATOM 693 OD2 ASP A 44 -2.238 -10.683 -41.096 1.00 0.00 O ATOM 0 H ASP A 44 -0.311 -9.441 -38.379 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.781 -8.288 -37.318 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.834 -9.590 -39.132 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.590 -8.511 -39.730 1.00 0.00 H new ATOM 698 N GLU A 45 -3.828 -10.911 -36.957 1.00 0.00 N ATOM 699 CA GLU A 45 -4.283 -12.065 -36.162 1.00 0.00 C ATOM 700 C GLU A 45 -3.447 -13.306 -36.463 1.00 0.00 C ATOM 701 O GLU A 45 -3.345 -14.218 -35.637 1.00 0.00 O ATOM 702 CB GLU A 45 -5.751 -12.402 -36.453 1.00 0.00 C ATOM 703 CG GLU A 45 -5.987 -12.950 -37.855 1.00 0.00 C ATOM 704 CD GLU A 45 -7.409 -13.356 -38.096 1.00 0.00 C ATOM 705 OE1 GLU A 45 -7.779 -14.486 -37.692 1.00 0.00 O ATOM 706 OE2 GLU A 45 -8.167 -12.585 -38.717 1.00 0.00 O ATOM 0 H GLU A 45 -4.516 -10.572 -37.629 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.170 -11.783 -35.115 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.098 -13.133 -35.723 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.355 -11.505 -36.317 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.702 -12.194 -38.587 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.337 -13.810 -38.016 1.00 0.00 H new ATOM 713 N TYR A 46 -2.864 -13.344 -37.648 1.00 0.00 N ATOM 714 CA TYR A 46 -2.099 -14.479 -38.067 1.00 0.00 C ATOM 715 C TYR A 46 -0.718 -14.351 -37.491 1.00 0.00 C ATOM 716 O TYR A 46 -0.095 -15.329 -37.068 1.00 0.00 O ATOM 717 CB TYR A 46 -2.009 -14.542 -39.590 1.00 0.00 C ATOM 718 CG TYR A 46 -3.337 -14.521 -40.290 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.134 -15.647 -40.338 1.00 0.00 C ATOM 720 CD2 TYR A 46 -3.797 -13.365 -40.895 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.350 -15.623 -40.974 1.00 0.00 C ATOM 722 CE2 TYR A 46 -5.011 -13.330 -41.531 1.00 0.00 C ATOM 723 CZ TYR A 46 -5.784 -14.463 -41.570 1.00 0.00 C ATOM 724 OH TYR A 46 -6.996 -14.436 -42.206 1.00 0.00 O ATOM 0 H TYR A 46 -2.913 -12.590 -38.333 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.583 -15.391 -37.717 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.413 -13.700 -39.942 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.477 -15.450 -39.873 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.796 -16.559 -39.869 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.188 -12.473 -40.866 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.963 -16.512 -41.006 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.356 -12.419 -41.997 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.153 -13.541 -42.573 1.00 0.00 H new ATOM 734 N GLY A 47 -0.264 -13.132 -37.455 1.00 0.00 N ATOM 735 CA GLY A 47 1.032 -12.819 -36.952 1.00 0.00 C ATOM 736 C GLY A 47 1.897 -12.267 -38.048 1.00 0.00 C ATOM 737 O GLY A 47 3.114 -12.136 -37.895 1.00 0.00 O ATOM 0 H GLY A 47 -0.793 -12.322 -37.779 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.950 -12.093 -36.143 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.492 -13.713 -36.532 1.00 0.00 H new ATOM 741 N ILE A 48 1.268 -11.912 -39.149 1.00 0.00 N ATOM 742 CA ILE A 48 1.962 -11.406 -40.287 1.00 0.00 C ATOM 743 C ILE A 48 2.195 -9.921 -40.119 1.00 0.00 C ATOM 744 O ILE A 48 1.263 -9.172 -39.794 1.00 0.00 O ATOM 745 CB ILE A 48 1.231 -11.753 -41.650 1.00 0.00 C ATOM 746 CG1 ILE A 48 1.607 -13.169 -42.129 1.00 0.00 C ATOM 747 CG2 ILE A 48 1.533 -10.743 -42.752 1.00 0.00 C ATOM 748 CD1 ILE A 48 1.206 -14.288 -41.200 1.00 0.00 C ATOM 0 H ILE A 48 0.257 -11.971 -39.268 1.00 0.00 H new ATOM 0 HA ILE A 48 2.930 -11.903 -40.347 1.00 0.00 H new ATOM 0 HB ILE A 48 0.161 -11.709 -41.445 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.144 -13.341 -43.101 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.686 -13.211 -42.278 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.007 -11.030 -43.662 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.203 -9.753 -42.438 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.606 -10.724 -42.944 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.514 -15.243 -41.626 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.689 -14.149 -40.233 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.124 -14.282 -41.069 1.00 0.00 H new ATOM 760 N PRO A 49 3.451 -9.485 -40.266 1.00 0.00 N ATOM 761 CA PRO A 49 3.804 -8.090 -40.147 1.00 0.00 C ATOM 762 C PRO A 49 3.273 -7.313 -41.346 1.00 0.00 C ATOM 763 O PRO A 49 3.824 -7.372 -42.452 1.00 0.00 O ATOM 764 CB PRO A 49 5.340 -8.088 -40.131 1.00 0.00 C ATOM 765 CG PRO A 49 5.749 -9.368 -40.782 1.00 0.00 C ATOM 766 CD PRO A 49 4.619 -10.341 -40.583 1.00 0.00 C ATOM 0 HA PRO A 49 3.383 -7.619 -39.259 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.737 -7.229 -40.672 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.721 -8.027 -39.112 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.945 -9.216 -41.843 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.669 -9.749 -40.339 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.444 -10.937 -41.479 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.833 -11.039 -39.773 1.00 0.00 H new ATOM 774 N ARG A 50 2.180 -6.671 -41.147 1.00 0.00 N ATOM 775 CA ARG A 50 1.535 -5.909 -42.180 1.00 0.00 C ATOM 776 C ARG A 50 2.076 -4.504 -42.207 1.00 0.00 C ATOM 777 O ARG A 50 2.458 -3.960 -41.170 1.00 0.00 O ATOM 778 CB ARG A 50 0.078 -5.802 -41.860 1.00 0.00 C ATOM 779 CG ARG A 50 -0.686 -7.098 -41.780 1.00 0.00 C ATOM 780 CD ARG A 50 -1.026 -7.671 -43.128 1.00 0.00 C ATOM 781 NE ARG A 50 -2.028 -8.706 -42.920 1.00 0.00 N ATOM 782 CZ ARG A 50 -3.333 -8.581 -43.161 1.00 0.00 C ATOM 783 NH1 ARG A 50 -3.801 -7.647 -43.983 1.00 0.00 N ATOM 784 NH2 ARG A 50 -4.168 -9.438 -42.595 1.00 0.00 N ATOM 0 H ARG A 50 1.692 -6.653 -40.251 1.00 0.00 H new ATOM 0 HA ARG A 50 1.708 -6.404 -43.135 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.025 -5.285 -40.906 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.393 -5.174 -42.616 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.097 -7.825 -41.222 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.606 -6.935 -41.219 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.408 -6.894 -43.790 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.138 -8.087 -43.604 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.704 -9.603 -42.559 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.157 -7.006 -44.446 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.804 -7.572 -44.151 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.809 -10.175 -41.988 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.171 -9.361 -42.765 1.00 0.00 H new ATOM 798 N GLN A 51 2.100 -3.931 -43.370 1.00 0.00 N ATOM 799 CA GLN A 51 2.426 -2.543 -43.542 1.00 0.00 C ATOM 800 C GLN A 51 1.161 -1.753 -43.448 1.00 0.00 C ATOM 801 O GLN A 51 0.102 -2.186 -43.894 1.00 0.00 O ATOM 802 CB GLN A 51 3.059 -2.284 -44.883 1.00 0.00 C ATOM 803 CG GLN A 51 4.548 -2.482 -44.930 1.00 0.00 C ATOM 804 CD GLN A 51 5.328 -1.183 -44.783 1.00 0.00 C ATOM 805 OE1 GLN A 51 6.389 -1.021 -45.368 1.00 0.00 O ATOM 806 NE2 GLN A 51 4.887 -0.309 -43.911 1.00 0.00 N ATOM 0 H GLN A 51 1.891 -4.418 -44.241 1.00 0.00 H new ATOM 0 HA GLN A 51 3.138 -2.253 -42.770 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.597 -2.941 -45.619 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.834 -1.261 -45.183 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.843 -3.168 -44.136 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.816 -2.955 -45.875 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.998 -0.467 -43.436 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.433 0.529 -43.708 1.00 0.00 H new ATOM 815 N LEU A 52 1.272 -0.633 -42.866 1.00 0.00 N ATOM 816 CA LEU A 52 0.131 0.210 -42.596 1.00 0.00 C ATOM 817 C LEU A 52 0.093 1.407 -43.499 1.00 0.00 C ATOM 818 O LEU A 52 -0.973 1.942 -43.769 1.00 0.00 O ATOM 819 CB LEU A 52 0.260 0.643 -41.156 1.00 0.00 C ATOM 820 CG LEU A 52 0.443 -0.534 -40.220 1.00 0.00 C ATOM 821 CD1 LEU A 52 0.791 -0.079 -38.852 1.00 0.00 C ATOM 822 CD2 LEU A 52 -0.799 -1.398 -40.218 1.00 0.00 C ATOM 0 H LEU A 52 2.161 -0.246 -42.548 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.795 -0.336 -42.776 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.108 1.320 -41.056 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.629 1.202 -40.865 1.00 0.00 H new ATOM 0 HG LEU A 52 1.276 -1.138 -40.580 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.916 -0.945 -38.202 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.721 0.489 -38.883 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.008 0.553 -38.465 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.655 -2.241 -39.542 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.653 -0.807 -39.885 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.985 -1.769 -41.226 1.00 0.00 H new ATOM 834 N ASN A 53 1.259 1.747 -44.045 1.00 0.00 N ATOM 835 CA ASN A 53 1.558 3.021 -44.816 1.00 0.00 C ATOM 836 C ASN A 53 0.783 3.178 -46.117 1.00 0.00 C ATOM 837 O ASN A 53 1.167 3.924 -47.015 1.00 0.00 O ATOM 838 CB ASN A 53 3.056 3.123 -45.089 1.00 0.00 C ATOM 839 CG ASN A 53 3.888 2.961 -43.837 1.00 0.00 C ATOM 840 OD1 ASN A 53 5.033 2.520 -43.897 1.00 0.00 O ATOM 841 ND2 ASN A 53 3.309 3.234 -42.688 1.00 0.00 N ATOM 0 H ASN A 53 2.075 1.139 -43.977 1.00 0.00 H new ATOM 0 HA ASN A 53 1.222 3.836 -44.175 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.342 2.360 -45.812 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.274 4.090 -45.543 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.812 3.080 -41.814 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.357 3.599 -42.671 1.00 0.00 H new ATOM 848 N GLU A 54 -0.288 2.524 -46.167 1.00 0.00 N ATOM 849 CA GLU A 54 -1.228 2.578 -47.235 1.00 0.00 C ATOM 850 C GLU A 54 -2.096 3.783 -46.986 1.00 0.00 C ATOM 851 O GLU A 54 -2.487 4.504 -47.908 1.00 0.00 O ATOM 852 CB GLU A 54 -2.157 1.372 -47.150 1.00 0.00 C ATOM 853 CG GLU A 54 -1.471 0.082 -46.813 1.00 0.00 C ATOM 854 CD GLU A 54 -2.403 -1.091 -46.882 1.00 0.00 C ATOM 855 OE1 GLU A 54 -3.241 -1.250 -45.979 1.00 0.00 O ATOM 856 OE2 GLU A 54 -2.323 -1.868 -47.854 1.00 0.00 O ATOM 0 H GLU A 54 -0.571 1.887 -45.423 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.709 2.606 -48.193 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.921 1.570 -46.398 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.671 1.257 -48.104 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.640 -0.076 -47.500 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.048 0.149 -45.811 1.00 0.00 H new ATOM 863 N ASN A 55 -2.334 4.005 -45.694 1.00 0.00 N ATOM 864 CA ASN A 55 -3.313 4.952 -45.201 1.00 0.00 C ATOM 865 C ASN A 55 -3.338 4.947 -43.664 1.00 0.00 C ATOM 866 O ASN A 55 -3.524 5.985 -43.016 1.00 0.00 O ATOM 867 CB ASN A 55 -4.684 4.509 -45.755 1.00 0.00 C ATOM 868 CG ASN A 55 -5.875 4.941 -44.944 1.00 0.00 C ATOM 869 OD1 ASN A 55 -6.447 6.004 -45.158 1.00 0.00 O ATOM 870 ND2 ASN A 55 -6.265 4.098 -44.021 1.00 0.00 N ATOM 0 H ASN A 55 -1.836 3.516 -44.950 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.068 5.964 -45.523 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.792 4.901 -46.766 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.692 3.422 -45.832 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.077 4.314 -43.443 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.757 3.225 -43.880 1.00 0.00 H new ATOM 877 N SER A 56 -3.138 3.776 -43.105 1.00 0.00 N ATOM 878 CA SER A 56 -3.250 3.560 -41.682 1.00 0.00 C ATOM 879 C SER A 56 -1.889 3.517 -41.015 1.00 0.00 C ATOM 880 O SER A 56 -0.862 3.536 -41.676 1.00 0.00 O ATOM 881 CB SER A 56 -3.948 2.232 -41.477 1.00 0.00 C ATOM 882 OG SER A 56 -5.005 2.065 -42.419 1.00 0.00 O ATOM 0 H SER A 56 -2.890 2.938 -43.631 1.00 0.00 H new ATOM 0 HA SER A 56 -3.809 4.382 -41.236 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.230 1.419 -41.581 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.346 2.178 -40.464 1.00 0.00 H new ATOM 0 HG SER A 56 -5.201 1.111 -42.524 1.00 0.00 H new ATOM 888 N PHE A 57 -1.894 3.508 -39.706 1.00 0.00 N ATOM 889 CA PHE A 57 -0.701 3.362 -38.903 1.00 0.00 C ATOM 890 C PHE A 57 -1.130 2.701 -37.607 1.00 0.00 C ATOM 891 O PHE A 57 -2.318 2.689 -37.310 1.00 0.00 O ATOM 892 CB PHE A 57 -0.042 4.714 -38.597 1.00 0.00 C ATOM 893 CG PHE A 57 0.263 5.569 -39.807 1.00 0.00 C ATOM 894 CD1 PHE A 57 1.459 5.428 -40.486 1.00 0.00 C ATOM 895 CD2 PHE A 57 -0.669 6.488 -40.282 1.00 0.00 C ATOM 896 CE1 PHE A 57 1.723 6.181 -41.615 1.00 0.00 C ATOM 897 CE2 PHE A 57 -0.406 7.246 -41.407 1.00 0.00 C ATOM 898 CZ PHE A 57 0.792 7.090 -42.075 1.00 0.00 C ATOM 0 H PHE A 57 -2.746 3.604 -39.154 1.00 0.00 H new ATOM 0 HA PHE A 57 0.036 2.769 -39.444 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.695 5.276 -37.930 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.887 4.533 -38.056 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.195 4.722 -40.131 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.609 6.610 -39.765 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.660 6.058 -42.138 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.136 7.958 -41.763 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.000 7.678 -42.956 1.00 0.00 H new ATOM 908 N ALA A 58 -0.209 2.157 -36.852 1.00 0.00 N ATOM 909 CA ALA A 58 -0.563 1.478 -35.612 1.00 0.00 C ATOM 910 C ALA A 58 0.211 2.045 -34.478 1.00 0.00 C ATOM 911 O ALA A 58 1.188 2.754 -34.691 1.00 0.00 O ATOM 912 CB ALA A 58 -0.326 -0.028 -35.697 1.00 0.00 C ATOM 0 H ALA A 58 0.789 2.166 -37.065 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.628 1.639 -35.446 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.603 -0.494 -34.751 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.933 -0.447 -36.500 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.727 -0.220 -35.901 1.00 0.00 H new ATOM 918 N ILE A 59 -0.216 1.749 -33.286 1.00 0.00 N ATOM 919 CA ILE A 59 0.444 2.212 -32.117 1.00 0.00 C ATOM 920 C ILE A 59 0.206 1.261 -30.960 1.00 0.00 C ATOM 921 O ILE A 59 -0.865 0.646 -30.851 1.00 0.00 O ATOM 922 CB ILE A 59 -0.023 3.640 -31.738 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.795 4.146 -30.562 1.00 0.00 C ATOM 924 CG2 ILE A 59 -1.522 3.659 -31.393 1.00 0.00 C ATOM 925 CD1 ILE A 59 0.675 5.614 -30.342 1.00 0.00 C ATOM 0 H ILE A 59 -1.039 1.175 -33.104 1.00 0.00 H new ATOM 0 HA ILE A 59 1.512 2.249 -32.330 1.00 0.00 H new ATOM 0 HB ILE A 59 0.130 4.295 -32.595 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.479 3.624 -29.659 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.843 3.896 -30.724 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.822 4.674 -31.131 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.098 3.321 -32.255 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.709 2.996 -30.549 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.285 5.905 -29.487 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.019 6.144 -31.230 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.367 5.869 -30.148 1.00 0.00 H new ATOM 937 N THR A 60 1.187 1.110 -30.126 1.00 0.00 N ATOM 938 CA THR A 60 1.023 0.355 -28.969 1.00 0.00 C ATOM 939 C THR A 60 0.904 1.309 -27.773 1.00 0.00 C ATOM 940 O THR A 60 1.872 1.844 -27.240 1.00 0.00 O ATOM 941 CB THR A 60 2.102 -0.767 -28.805 1.00 0.00 C ATOM 942 OG1 THR A 60 1.734 -1.654 -27.738 1.00 0.00 O ATOM 943 CG2 THR A 60 3.518 -0.229 -28.571 1.00 0.00 C ATOM 0 H THR A 60 2.115 1.515 -30.247 1.00 0.00 H new ATOM 0 HA THR A 60 0.096 -0.214 -29.036 1.00 0.00 H new ATOM 0 HB THR A 60 2.128 -1.306 -29.752 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.761 -1.644 -27.626 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.212 -1.063 -28.467 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.817 0.388 -29.418 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.533 0.372 -27.661 1.00 0.00 H new ATOM 951 N THR A 61 -0.307 1.602 -27.457 1.00 0.00 N ATOM 952 CA THR A 61 -0.620 2.477 -26.382 1.00 0.00 C ATOM 953 C THR A 61 -1.742 1.840 -25.579 1.00 0.00 C ATOM 954 O THR A 61 -2.289 0.828 -25.990 1.00 0.00 O ATOM 955 CB THR A 61 -1.032 3.891 -26.892 1.00 0.00 C ATOM 956 OG1 THR A 61 -1.145 4.792 -25.778 1.00 0.00 O ATOM 957 CG2 THR A 61 -2.377 3.833 -27.614 1.00 0.00 C ATOM 0 H THR A 61 -1.123 1.234 -27.946 1.00 0.00 H new ATOM 0 HA THR A 61 0.261 2.621 -25.757 1.00 0.00 H new ATOM 0 HB THR A 61 -0.267 4.241 -27.585 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.972 5.708 -26.080 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.646 4.830 -27.962 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.303 3.158 -28.467 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.142 3.469 -26.929 1.00 0.00 H new ATOM 965 N SER A 62 -2.058 2.393 -24.466 1.00 0.00 N ATOM 966 CA SER A 62 -3.066 1.856 -23.607 1.00 0.00 C ATOM 967 C SER A 62 -4.157 2.889 -23.307 1.00 0.00 C ATOM 968 O SER A 62 -5.091 2.625 -22.557 1.00 0.00 O ATOM 969 CB SER A 62 -2.366 1.411 -22.363 1.00 0.00 C ATOM 970 OG SER A 62 -1.448 2.417 -21.983 1.00 0.00 O ATOM 0 H SER A 62 -1.621 3.245 -24.114 1.00 0.00 H new ATOM 0 HA SER A 62 -3.579 1.019 -24.081 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.087 1.234 -21.565 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.846 0.469 -22.537 1.00 0.00 H new ATOM 0 HG SER A 62 -0.981 2.142 -21.167 1.00 0.00 H new ATOM 976 N LEU A 63 -4.022 4.057 -23.890 1.00 0.00 N ATOM 977 CA LEU A 63 -5.006 5.107 -23.732 1.00 0.00 C ATOM 978 C LEU A 63 -6.192 4.887 -24.643 1.00 0.00 C ATOM 979 O LEU A 63 -6.261 3.880 -25.372 1.00 0.00 O ATOM 980 CB LEU A 63 -4.378 6.511 -23.884 1.00 0.00 C ATOM 981 CG LEU A 63 -3.432 6.747 -25.059 1.00 0.00 C ATOM 982 CD1 LEU A 63 -4.138 6.896 -26.362 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.482 7.894 -24.792 1.00 0.00 C ATOM 0 H LEU A 63 -3.232 4.307 -24.485 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.386 5.060 -22.711 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.190 7.234 -23.958 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.834 6.735 -22.966 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.832 5.841 -25.151 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.408 7.061 -27.155 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.705 5.990 -26.574 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.818 7.746 -26.312 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.825 8.030 -25.651 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.053 8.807 -24.623 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.883 7.672 -23.909 1.00 0.00 H new ATOM 995 N ALA A 64 -7.122 5.792 -24.618 1.00 0.00 N ATOM 996 CA ALA A 64 -8.309 5.593 -25.371 1.00 0.00 C ATOM 997 C ALA A 64 -8.185 6.138 -26.769 1.00 0.00 C ATOM 998 O ALA A 64 -7.256 6.875 -27.073 1.00 0.00 O ATOM 999 CB ALA A 64 -9.525 6.137 -24.666 1.00 0.00 C ATOM 0 H ALA A 64 -7.079 6.663 -24.090 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.448 4.515 -25.458 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.409 5.963 -25.279 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.644 5.635 -23.706 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.402 7.208 -24.503 1.00 0.00 H new ATOM 1005 N ALA A 65 -9.145 5.806 -27.596 1.00 0.00 N ATOM 1006 CA ALA A 65 -9.153 6.186 -28.997 1.00 0.00 C ATOM 1007 C ALA A 65 -9.088 7.689 -29.185 1.00 0.00 C ATOM 1008 O ALA A 65 -8.254 8.193 -29.935 1.00 0.00 O ATOM 1009 CB ALA A 65 -10.362 5.598 -29.699 1.00 0.00 C ATOM 0 H ALA A 65 -9.957 5.256 -27.316 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.252 5.775 -29.452 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.352 5.893 -30.748 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.331 4.511 -29.627 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.272 5.967 -29.227 1.00 0.00 H new ATOM 1015 N SER A 66 -9.890 8.402 -28.452 1.00 0.00 N ATOM 1016 CA SER A 66 -9.913 9.833 -28.572 1.00 0.00 C ATOM 1017 C SER A 66 -8.744 10.476 -27.867 1.00 0.00 C ATOM 1018 O SER A 66 -8.509 11.679 -27.995 1.00 0.00 O ATOM 1019 CB SER A 66 -11.236 10.388 -28.118 1.00 0.00 C ATOM 1020 OG SER A 66 -12.266 9.912 -28.976 1.00 0.00 O ATOM 0 H SER A 66 -10.538 8.018 -27.764 1.00 0.00 H new ATOM 0 HA SER A 66 -9.803 10.082 -29.627 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.436 10.087 -27.090 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.210 11.478 -28.132 1.00 0.00 H new ATOM 0 HG SER A 66 -11.981 10.000 -29.909 1.00 0.00 H new ATOM 1026 N GLU A 67 -7.982 9.666 -27.168 1.00 0.00 N ATOM 1027 CA GLU A 67 -6.810 10.140 -26.533 1.00 0.00 C ATOM 1028 C GLU A 67 -5.688 10.063 -27.518 1.00 0.00 C ATOM 1029 O GLU A 67 -4.852 10.943 -27.568 1.00 0.00 O ATOM 1030 CB GLU A 67 -6.498 9.368 -25.270 1.00 0.00 C ATOM 1031 CG GLU A 67 -7.564 9.496 -24.207 1.00 0.00 C ATOM 1032 CD GLU A 67 -7.918 10.934 -23.927 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -7.034 11.713 -23.542 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -9.091 11.304 -24.070 1.00 0.00 O ATOM 0 H GLU A 67 -8.169 8.672 -27.034 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.958 11.173 -26.219 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.370 8.315 -25.520 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.548 9.718 -24.865 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.458 8.959 -24.524 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.217 9.023 -23.288 1.00 0.00 H new ATOM 1041 N ILE A 68 -5.690 8.995 -28.333 1.00 0.00 N ATOM 1042 CA ILE A 68 -4.733 8.896 -29.440 1.00 0.00 C ATOM 1043 C ILE A 68 -4.948 10.086 -30.339 1.00 0.00 C ATOM 1044 O ILE A 68 -4.001 10.755 -30.732 1.00 0.00 O ATOM 1045 CB ILE A 68 -4.898 7.633 -30.323 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -5.330 6.433 -29.497 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -3.590 7.351 -31.056 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -5.174 5.104 -30.159 1.00 0.00 C ATOM 0 H ILE A 68 -6.330 8.205 -28.248 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.742 8.849 -28.988 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.684 7.818 -31.055 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.756 6.427 -28.570 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.377 6.561 -29.223 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.705 6.463 -31.677 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.335 8.203 -31.685 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.794 7.185 -30.330 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.511 4.319 -29.483 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.771 5.079 -31.070 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.125 4.942 -30.408 1.00 0.00 H new ATOM 1060 N GLU A 69 -6.225 10.357 -30.633 1.00 0.00 N ATOM 1061 CA GLU A 69 -6.599 11.509 -31.428 1.00 0.00 C ATOM 1062 C GLU A 69 -6.054 12.764 -30.806 1.00 0.00 C ATOM 1063 O GLU A 69 -5.402 13.538 -31.462 1.00 0.00 O ATOM 1064 CB GLU A 69 -8.111 11.648 -31.549 1.00 0.00 C ATOM 1065 CG GLU A 69 -8.779 10.508 -32.247 1.00 0.00 C ATOM 1066 CD GLU A 69 -10.272 10.679 -32.345 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -11.000 10.417 -31.355 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -10.757 11.083 -33.415 1.00 0.00 O ATOM 0 H GLU A 69 -7.012 9.785 -30.326 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.180 11.361 -32.423 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.536 11.747 -30.550 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.338 12.570 -32.085 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.363 10.407 -33.249 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.558 9.582 -31.715 1.00 0.00 H new ATOM 1075 N ASP A 70 -6.285 12.918 -29.521 1.00 0.00 N ATOM 1076 CA ASP A 70 -5.864 14.103 -28.786 1.00 0.00 C ATOM 1077 C ASP A 70 -4.358 14.282 -28.842 1.00 0.00 C ATOM 1078 O ASP A 70 -3.876 15.383 -29.080 1.00 0.00 O ATOM 1079 CB ASP A 70 -6.381 14.052 -27.352 1.00 0.00 C ATOM 1080 CG ASP A 70 -6.123 15.308 -26.569 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -6.500 16.404 -27.050 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -5.628 15.216 -25.414 1.00 0.00 O ATOM 0 H ASP A 70 -6.771 12.227 -28.950 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.302 14.979 -29.265 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.454 13.860 -27.369 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.915 13.212 -26.837 1.00 0.00 H new ATOM 1087 N LEU A 71 -3.642 13.182 -28.696 1.00 0.00 N ATOM 1088 CA LEU A 71 -2.189 13.146 -28.812 1.00 0.00 C ATOM 1089 C LEU A 71 -1.748 13.686 -30.157 1.00 0.00 C ATOM 1090 O LEU A 71 -0.928 14.593 -30.241 1.00 0.00 O ATOM 1091 CB LEU A 71 -1.684 11.703 -28.678 1.00 0.00 C ATOM 1092 CG LEU A 71 -1.019 11.309 -27.367 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -1.985 11.414 -26.208 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -0.454 9.906 -27.482 1.00 0.00 C ATOM 0 H LEU A 71 -4.056 12.273 -28.490 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.773 13.764 -28.016 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.530 11.035 -28.840 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.973 11.519 -29.484 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.202 12.002 -27.168 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.480 11.126 -25.286 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.340 12.441 -26.122 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.833 10.751 -26.380 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.021 9.627 -26.542 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.260 9.206 -27.703 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.283 9.875 -28.284 1.00 0.00 H new ATOM 1106 N ILE A 72 -2.345 13.165 -31.197 1.00 0.00 N ATOM 1107 CA ILE A 72 -1.974 13.516 -32.549 1.00 0.00 C ATOM 1108 C ILE A 72 -2.394 14.938 -32.854 1.00 0.00 C ATOM 1109 O ILE A 72 -1.624 15.727 -33.400 1.00 0.00 O ATOM 1110 CB ILE A 72 -2.656 12.559 -33.548 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -2.172 11.138 -33.319 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -2.388 12.983 -34.991 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -3.142 10.104 -33.788 1.00 0.00 C ATOM 0 H ILE A 72 -3.103 12.485 -31.134 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.891 13.432 -32.645 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.732 12.602 -33.380 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.222 10.997 -33.835 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.982 10.993 -32.256 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.882 12.289 -35.672 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.776 13.988 -35.153 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.314 12.974 -35.179 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.736 9.111 -33.596 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.085 10.221 -33.254 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.314 10.225 -34.858 1.00 0.00 H new ATOM 1125 N ARG A 73 -3.583 15.281 -32.437 1.00 0.00 N ATOM 1126 CA ARG A 73 -4.142 16.555 -32.766 1.00 0.00 C ATOM 1127 C ARG A 73 -3.537 17.691 -31.944 1.00 0.00 C ATOM 1128 O ARG A 73 -3.712 18.860 -32.280 1.00 0.00 O ATOM 1129 CB ARG A 73 -5.680 16.541 -32.716 1.00 0.00 C ATOM 1130 CG ARG A 73 -6.307 15.440 -33.586 1.00 0.00 C ATOM 1131 CD ARG A 73 -7.718 15.779 -34.019 1.00 0.00 C ATOM 1132 NE ARG A 73 -7.702 16.958 -34.905 1.00 0.00 N ATOM 1133 CZ ARG A 73 -8.154 17.009 -36.167 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -8.826 15.983 -36.699 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -7.955 18.110 -36.887 1.00 0.00 N ATOM 0 H ARG A 73 -4.184 14.688 -31.865 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.868 16.757 -33.801 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.002 16.406 -31.683 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.056 17.511 -33.043 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.687 15.281 -34.469 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.316 14.502 -33.030 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.162 14.930 -34.538 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.338 15.979 -33.145 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.309 17.818 -34.521 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.002 15.146 -36.144 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.163 16.038 -37.660 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.463 18.905 -36.478 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.294 18.159 -37.848 1.00 0.00 H new ATOM 1149 N LEU A 74 -2.832 17.375 -30.865 1.00 0.00 N ATOM 1150 CA LEU A 74 -2.137 18.423 -30.145 1.00 0.00 C ATOM 1151 C LEU A 74 -0.714 18.552 -30.691 1.00 0.00 C ATOM 1152 O LEU A 74 -0.062 19.568 -30.527 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.217 18.254 -28.593 1.00 0.00 C ATOM 1154 CG LEU A 74 -1.403 17.147 -27.909 1.00 0.00 C ATOM 1155 CD1 LEU A 74 0.005 17.622 -27.605 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -2.088 16.696 -26.634 1.00 0.00 C ATOM 0 H LEU A 74 -2.730 16.435 -30.483 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.644 19.371 -30.321 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.919 19.202 -28.146 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.264 18.096 -28.336 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.341 16.301 -28.593 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.563 16.821 -27.121 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.503 17.901 -28.533 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.038 18.486 -26.942 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.497 15.911 -26.162 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.180 17.541 -25.952 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.080 16.311 -26.870 1.00 0.00 H new ATOM 1168 N LYS A 75 -0.265 17.517 -31.415 1.00 0.00 N ATOM 1169 CA LYS A 75 1.021 17.561 -32.106 1.00 0.00 C ATOM 1170 C LYS A 75 0.846 18.255 -33.451 1.00 0.00 C ATOM 1171 O LYS A 75 1.802 18.550 -34.158 1.00 0.00 O ATOM 1172 CB LYS A 75 1.667 16.158 -32.271 1.00 0.00 C ATOM 1173 CG LYS A 75 2.587 15.718 -31.109 1.00 0.00 C ATOM 1174 CD LYS A 75 1.863 15.633 -29.784 1.00 0.00 C ATOM 1175 CE LYS A 75 2.798 15.321 -28.620 1.00 0.00 C ATOM 1176 NZ LYS A 75 3.462 14.009 -28.750 1.00 0.00 N ATOM 0 H LYS A 75 -0.776 16.642 -31.534 1.00 0.00 H new ATOM 0 HA LYS A 75 1.714 18.133 -31.489 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.872 15.420 -32.384 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.245 16.148 -33.195 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.020 14.746 -31.344 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.414 16.422 -31.021 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.353 16.577 -29.592 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.094 14.862 -29.844 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.556 16.101 -28.551 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.231 15.345 -27.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.350 13.474 -27.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.031 13.478 -29.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.474 14.150 -28.943 1.00 0.00 H new ATOM 1190 N CYS A 76 -0.401 18.557 -33.763 1.00 0.00 N ATOM 1191 CA CYS A 76 -0.769 19.283 -34.961 1.00 0.00 C ATOM 1192 C CYS A 76 -0.380 20.756 -34.819 1.00 0.00 C ATOM 1193 O CYS A 76 -0.426 21.519 -35.768 1.00 0.00 O ATOM 1194 CB CYS A 76 -2.263 19.144 -35.192 1.00 0.00 C ATOM 1195 SG CYS A 76 -2.939 20.012 -36.631 1.00 0.00 S ATOM 0 H CYS A 76 -1.198 18.300 -33.181 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.238 18.870 -35.818 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.496 18.084 -35.292 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.781 19.502 -34.302 1.00 0.00 H new ATOM 0 HG CYS A 76 -2.264 21.104 -36.836 1.00 0.00 H new ATOM 1201 N LEU A 77 0.004 21.144 -33.622 1.00 0.00 N ATOM 1202 CA LEU A 77 0.458 22.486 -33.377 1.00 0.00 C ATOM 1203 C LEU A 77 1.871 22.659 -33.924 1.00 0.00 C ATOM 1204 O LEU A 77 2.304 23.775 -34.206 1.00 0.00 O ATOM 1205 CB LEU A 77 0.435 22.789 -31.878 1.00 0.00 C ATOM 1206 CG LEU A 77 -0.914 22.625 -31.175 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.795 22.974 -29.704 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.980 23.469 -31.846 1.00 0.00 C ATOM 0 H LEU A 77 0.009 20.540 -32.800 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.210 23.183 -33.883 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.159 22.139 -31.386 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.775 23.814 -31.731 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.214 21.580 -31.254 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.765 22.851 -29.221 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.068 22.314 -29.231 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.467 24.008 -29.601 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.930 23.335 -31.328 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.690 24.519 -31.807 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.087 23.160 -32.886 1.00 0.00 H new ATOM 1220 N ASP A 78 2.568 21.545 -34.088 1.00 0.00 N ATOM 1221 CA ASP A 78 3.946 21.544 -34.576 1.00 0.00 C ATOM 1222 C ASP A 78 3.956 21.743 -36.054 1.00 0.00 C ATOM 1223 O ASP A 78 4.761 22.512 -36.603 1.00 0.00 O ATOM 1224 CB ASP A 78 4.599 20.215 -34.279 1.00 0.00 C ATOM 1225 CG ASP A 78 6.085 20.216 -34.584 1.00 0.00 C ATOM 1226 OD1 ASP A 78 6.877 20.765 -33.780 1.00 0.00 O ATOM 1227 OD2 ASP A 78 6.496 19.683 -35.630 1.00 0.00 O ATOM 0 H ASP A 78 2.198 20.616 -33.888 1.00 0.00 H new ATOM 0 HA ASP A 78 4.489 22.348 -34.079 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.447 19.966 -33.229 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.112 19.436 -34.865 1.00 0.00 H new ATOM 1232 N LEU A 79 3.059 21.052 -36.697 1.00 0.00 N ATOM 1233 CA LEU A 79 2.933 21.136 -38.140 1.00 0.00 C ATOM 1234 C LEU A 79 2.304 22.481 -38.522 1.00 0.00 C ATOM 1235 O LEU A 79 1.658 23.102 -37.683 1.00 0.00 O ATOM 1236 CB LEU A 79 2.127 19.917 -38.671 1.00 0.00 C ATOM 1237 CG LEU A 79 0.674 19.754 -38.193 1.00 0.00 C ATOM 1238 CD1 LEU A 79 -0.274 20.695 -38.903 1.00 0.00 C ATOM 1239 CD2 LEU A 79 0.220 18.326 -38.322 1.00 0.00 C ATOM 0 H LEU A 79 2.397 20.418 -36.250 1.00 0.00 H new ATOM 0 HA LEU A 79 3.915 21.095 -38.611 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.117 19.971 -39.760 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.672 19.012 -38.401 1.00 0.00 H new ATOM 0 HG LEU A 79 0.654 20.024 -37.137 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.287 20.541 -38.530 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.028 21.725 -38.716 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.248 20.498 -39.975 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.810 18.239 -37.977 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.281 18.018 -39.366 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.860 17.685 -37.717 1.00 0.00 H new ATOM 1251 N PRO A 80 2.516 22.962 -39.762 1.00 0.00 N ATOM 1252 CA PRO A 80 1.927 24.219 -40.228 1.00 0.00 C ATOM 1253 C PRO A 80 0.388 24.242 -40.066 1.00 0.00 C ATOM 1254 O PRO A 80 -0.139 24.914 -39.162 1.00 0.00 O ATOM 1255 CB PRO A 80 2.340 24.318 -41.710 1.00 0.00 C ATOM 1256 CG PRO A 80 2.989 23.015 -42.056 1.00 0.00 C ATOM 1257 CD PRO A 80 3.388 22.350 -40.768 1.00 0.00 C ATOM 0 HA PRO A 80 2.280 25.067 -39.642 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.472 24.500 -42.344 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.028 25.148 -41.867 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.302 22.382 -42.617 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.861 23.178 -42.689 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.244 21.271 -40.816 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.440 22.522 -40.540 1.00 0.00 H new ATOM 1265 N ASP A 81 -0.311 23.485 -40.910 1.00 0.00 N ATOM 1266 CA ASP A 81 -1.766 23.337 -40.834 1.00 0.00 C ATOM 1267 C ASP A 81 -2.224 22.334 -41.874 1.00 0.00 C ATOM 1268 O ASP A 81 -1.715 22.339 -43.004 1.00 0.00 O ATOM 1269 CB ASP A 81 -2.501 24.668 -41.048 1.00 0.00 C ATOM 1270 CG ASP A 81 -3.995 24.518 -40.899 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -4.488 24.406 -39.748 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -4.701 24.481 -41.911 1.00 0.00 O ATOM 0 H ASP A 81 0.116 22.954 -41.669 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.009 22.987 -39.831 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.137 25.403 -40.330 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.272 25.053 -42.042 1.00 0.00 H new ATOM 1277 N ILE A 82 -3.141 21.467 -41.495 1.00 0.00 N ATOM 1278 CA ILE A 82 -3.675 20.445 -42.355 1.00 0.00 C ATOM 1279 C ILE A 82 -5.010 19.977 -41.831 1.00 0.00 C ATOM 1280 O ILE A 82 -5.139 19.608 -40.662 1.00 0.00 O ATOM 1281 CB ILE A 82 -2.719 19.209 -42.527 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -3.440 18.035 -43.221 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -2.095 18.777 -41.213 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -2.575 16.820 -43.433 1.00 0.00 C ATOM 0 H ILE A 82 -3.541 21.458 -40.557 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.786 20.900 -43.339 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.902 19.528 -43.174 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.306 17.751 -42.624 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.815 18.373 -44.187 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.443 17.920 -41.384 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.512 19.600 -40.799 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.881 18.500 -40.510 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.156 16.041 -43.926 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.722 17.085 -44.057 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.220 16.453 -42.470 1.00 0.00 H new ATOM 1296 N ASP A 83 -6.000 20.047 -42.667 1.00 0.00 N ATOM 1297 CA ASP A 83 -7.289 19.500 -42.338 1.00 0.00 C ATOM 1298 C ASP A 83 -7.254 18.000 -42.512 1.00 0.00 C ATOM 1299 O ASP A 83 -7.331 17.480 -43.635 1.00 0.00 O ATOM 1300 CB ASP A 83 -8.411 20.099 -43.187 1.00 0.00 C ATOM 1301 CG ASP A 83 -9.749 19.458 -42.879 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -10.215 19.577 -41.730 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -10.340 18.800 -43.773 1.00 0.00 O ATOM 0 H ASP A 83 -5.943 20.480 -43.589 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.503 19.755 -41.300 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.471 21.172 -43.006 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.178 19.966 -44.244 1.00 0.00 H new ATOM 1308 N PHE A 84 -7.054 17.314 -41.435 1.00 0.00 N ATOM 1309 CA PHE A 84 -7.038 15.887 -41.464 1.00 0.00 C ATOM 1310 C PHE A 84 -8.071 15.358 -40.515 1.00 0.00 C ATOM 1311 O PHE A 84 -8.408 16.000 -39.503 1.00 0.00 O ATOM 1312 CB PHE A 84 -5.639 15.301 -41.125 1.00 0.00 C ATOM 1313 CG PHE A 84 -5.157 15.541 -39.709 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -4.440 16.670 -39.398 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -5.423 14.624 -38.699 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -3.989 16.898 -38.112 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -4.977 14.842 -37.409 1.00 0.00 C ATOM 1318 CZ PHE A 84 -4.260 15.982 -37.115 1.00 0.00 C ATOM 0 H PHE A 84 -6.898 17.723 -40.514 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.271 15.572 -42.481 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.661 14.226 -41.305 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.910 15.725 -41.815 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.225 17.392 -40.172 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.985 13.730 -38.925 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.425 17.791 -37.887 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.190 14.121 -36.633 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.911 16.158 -36.108 1.00 0.00 H new ATOM 1328 N ASP A 85 -8.574 14.232 -40.832 1.00 0.00 N ATOM 1329 CA ASP A 85 -9.515 13.555 -40.007 1.00 0.00 C ATOM 1330 C ASP A 85 -9.017 12.157 -39.836 1.00 0.00 C ATOM 1331 O ASP A 85 -8.632 11.518 -40.814 1.00 0.00 O ATOM 1332 CB ASP A 85 -10.905 13.577 -40.639 1.00 0.00 C ATOM 1333 CG ASP A 85 -11.925 12.826 -39.827 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -12.213 13.233 -38.680 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -12.454 11.810 -40.308 1.00 0.00 O ATOM 0 H ASP A 85 -8.343 13.735 -41.692 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.608 14.046 -39.038 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.230 14.611 -40.756 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.852 13.144 -41.638 1.00 0.00 H new ATOM 1340 N LEU A 86 -8.939 11.701 -38.629 1.00 0.00 N ATOM 1341 CA LEU A 86 -8.420 10.395 -38.385 1.00 0.00 C ATOM 1342 C LEU A 86 -9.480 9.553 -37.744 1.00 0.00 C ATOM 1343 O LEU A 86 -10.370 10.075 -37.078 1.00 0.00 O ATOM 1344 CB LEU A 86 -7.185 10.429 -37.467 1.00 0.00 C ATOM 1345 CG LEU A 86 -7.437 10.661 -35.959 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -6.214 10.351 -35.167 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -7.883 12.076 -35.656 1.00 0.00 C ATOM 0 H LEU A 86 -9.228 12.213 -37.796 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.118 9.973 -39.343 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.653 9.484 -37.580 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.519 11.215 -37.824 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.244 9.986 -35.674 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.413 10.521 -34.109 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.935 9.309 -35.321 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.398 10.996 -35.491 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.046 12.184 -34.584 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.113 12.777 -35.979 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.811 12.286 -36.187 1.00 0.00 H new ATOM 1359 N ASN A 87 -9.405 8.291 -37.965 1.00 0.00 N ATOM 1360 CA ASN A 87 -10.282 7.368 -37.347 1.00 0.00 C ATOM 1361 C ASN A 87 -9.464 6.324 -36.606 1.00 0.00 C ATOM 1362 O ASN A 87 -8.731 5.542 -37.234 1.00 0.00 O ATOM 1363 CB ASN A 87 -11.174 6.712 -38.395 1.00 0.00 C ATOM 1364 CG ASN A 87 -12.089 5.670 -37.805 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -13.194 5.963 -37.378 1.00 0.00 O ATOM 1366 ND2 ASN A 87 -11.638 4.453 -37.787 1.00 0.00 N ATOM 0 H ASN A 87 -8.721 7.865 -38.590 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.923 7.888 -36.635 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.772 7.478 -38.889 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.550 6.251 -39.161 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.213 3.702 -37.406 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.708 4.248 -38.154 1.00 0.00 H new ATOM 1373 N ILE A 88 -9.531 6.359 -35.305 1.00 0.00 N ATOM 1374 CA ILE A 88 -8.870 5.393 -34.459 1.00 0.00 C ATOM 1375 C ILE A 88 -9.724 4.141 -34.342 1.00 0.00 C ATOM 1376 O ILE A 88 -10.950 4.216 -34.204 1.00 0.00 O ATOM 1377 CB ILE A 88 -8.625 5.942 -33.031 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -7.717 7.175 -33.050 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -8.010 4.854 -32.151 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -6.335 6.903 -33.571 1.00 0.00 C ATOM 0 H ILE A 88 -10.053 7.068 -34.790 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.908 5.170 -34.920 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.588 6.242 -32.619 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.181 7.947 -33.664 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.642 7.575 -32.039 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.841 5.249 -31.149 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.689 4.003 -32.096 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.060 4.533 -32.579 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.752 7.824 -33.554 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.850 6.155 -32.944 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.398 6.533 -34.594 1.00 0.00 H new ATOM 1392 N MET A 89 -9.085 3.019 -34.412 1.00 0.00 N ATOM 1393 CA MET A 89 -9.701 1.744 -34.248 1.00 0.00 C ATOM 1394 C MET A 89 -8.647 0.846 -33.628 1.00 0.00 C ATOM 1395 O MET A 89 -7.487 1.228 -33.578 1.00 0.00 O ATOM 1396 CB MET A 89 -10.153 1.189 -35.619 1.00 0.00 C ATOM 1397 CG MET A 89 -9.004 0.761 -36.530 1.00 0.00 C ATOM 1398 SD MET A 89 -9.521 0.349 -38.211 1.00 0.00 S ATOM 1399 CE MET A 89 -9.829 1.959 -38.888 1.00 0.00 C ATOM 0 H MET A 89 -8.082 2.964 -34.592 1.00 0.00 H new ATOM 0 HA MET A 89 -10.588 1.804 -33.618 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.809 0.334 -35.454 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.743 1.950 -36.130 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.268 1.564 -36.573 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.507 -0.104 -36.090 1.00 0.00 H new ATOM 0 HE1 MET A 89 -9.451 2.003 -39.909 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.901 2.154 -38.890 1.00 0.00 H new ATOM 0 HE3 MET A 89 -9.325 2.711 -38.282 1.00 0.00 H new ATOM 1409 N THR A 90 -9.012 -0.272 -33.100 1.00 0.00 N ATOM 1410 CA THR A 90 -8.000 -1.197 -32.648 1.00 0.00 C ATOM 1411 C THR A 90 -7.419 -1.918 -33.843 1.00 0.00 C ATOM 1412 O THR A 90 -8.012 -1.924 -34.925 1.00 0.00 O ATOM 1413 CB THR A 90 -8.518 -2.252 -31.648 1.00 0.00 C ATOM 1414 OG1 THR A 90 -9.499 -3.085 -32.262 1.00 0.00 O ATOM 1415 CG2 THR A 90 -9.082 -1.599 -30.413 1.00 0.00 C ATOM 0 H THR A 90 -9.977 -0.574 -32.967 1.00 0.00 H new ATOM 0 HA THR A 90 -7.252 -0.601 -32.126 1.00 0.00 H new ATOM 0 HB THR A 90 -7.673 -2.872 -31.347 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.389 -2.838 -31.934 1.00 0.00 H new ATOM 0 HG21 THR A 90 -9.439 -2.367 -29.726 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.305 -1.010 -29.926 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.910 -0.948 -30.692 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.277 -2.509 -33.656 1.00 0.00 N ATOM 1424 CA VAL A 91 -5.648 -3.325 -34.678 1.00 0.00 C ATOM 1425 C VAL A 91 -6.582 -4.475 -35.103 1.00 0.00 C ATOM 1426 O VAL A 91 -6.709 -4.793 -36.296 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.304 -3.878 -34.157 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -3.722 -4.930 -35.077 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.307 -2.769 -33.979 1.00 0.00 C ATOM 0 H VAL A 91 -5.744 -2.445 -32.789 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.455 -2.705 -35.554 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.511 -4.346 -33.194 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.777 -5.288 -34.668 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.419 -5.763 -35.164 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.550 -4.497 -36.062 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.367 -3.180 -33.611 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.137 -2.275 -34.936 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.692 -2.045 -33.261 1.00 0.00 H new ATOM 1439 N ASP A 92 -7.277 -5.028 -34.128 1.00 0.00 N ATOM 1440 CA ASP A 92 -8.212 -6.125 -34.351 1.00 0.00 C ATOM 1441 C ASP A 92 -9.392 -5.651 -35.184 1.00 0.00 C ATOM 1442 O ASP A 92 -9.873 -6.356 -36.065 1.00 0.00 O ATOM 1443 CB ASP A 92 -8.700 -6.670 -33.012 1.00 0.00 C ATOM 1444 CG ASP A 92 -9.674 -7.820 -33.151 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -9.233 -8.977 -33.265 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -10.904 -7.588 -33.115 1.00 0.00 O ATOM 0 H ASP A 92 -7.212 -4.732 -33.154 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.700 -6.920 -34.894 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.841 -6.999 -32.427 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.177 -5.865 -32.452 1.00 0.00 H new ATOM 1451 N ASP A 93 -9.807 -4.407 -34.949 1.00 0.00 N ATOM 1452 CA ASP A 93 -10.942 -3.824 -35.674 1.00 0.00 C ATOM 1453 C ASP A 93 -10.502 -3.330 -37.023 1.00 0.00 C ATOM 1454 O ASP A 93 -11.311 -2.947 -37.864 1.00 0.00 O ATOM 1455 CB ASP A 93 -11.612 -2.678 -34.905 1.00 0.00 C ATOM 1456 CG ASP A 93 -12.262 -3.110 -33.618 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -13.020 -4.099 -33.610 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -12.020 -2.463 -32.570 1.00 0.00 O ATOM 0 H ASP A 93 -9.378 -3.783 -34.265 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.679 -4.619 -35.788 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -10.866 -1.914 -34.686 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.364 -2.215 -35.544 1.00 0.00 H new ATOM 1463 N TYR A 94 -9.226 -3.347 -37.230 1.00 0.00 N ATOM 1464 CA TYR A 94 -8.669 -2.933 -38.457 1.00 0.00 C ATOM 1465 C TYR A 94 -8.497 -4.089 -39.417 1.00 0.00 C ATOM 1466 O TYR A 94 -9.090 -4.103 -40.495 1.00 0.00 O ATOM 1467 CB TYR A 94 -7.351 -2.254 -38.224 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.647 -1.854 -39.481 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -7.158 -0.861 -40.291 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -5.477 -2.475 -39.858 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -6.521 -0.492 -41.438 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -4.824 -2.109 -41.013 1.00 0.00 C ATOM 1473 CZ TYR A 94 -5.353 -1.115 -41.800 1.00 0.00 C ATOM 1474 OH TYR A 94 -4.713 -0.732 -42.952 1.00 0.00 O ATOM 0 H TYR A 94 -8.541 -3.654 -36.539 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.364 -2.228 -38.912 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.513 -1.367 -37.612 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.705 -2.921 -37.654 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.078 -0.368 -40.012 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.067 -3.259 -39.239 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.934 0.288 -42.060 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.904 -2.599 -41.298 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.900 -1.267 -43.068 1.00 0.00 H new ATOM 1484 N PHE A 95 -7.700 -5.060 -39.021 1.00 0.00 N ATOM 1485 CA PHE A 95 -7.369 -6.188 -39.886 1.00 0.00 C ATOM 1486 C PHE A 95 -8.536 -7.102 -40.183 1.00 0.00 C ATOM 1487 O PHE A 95 -8.463 -7.945 -41.064 1.00 0.00 O ATOM 1488 CB PHE A 95 -6.223 -6.978 -39.348 1.00 0.00 C ATOM 1489 CG PHE A 95 -4.910 -6.289 -39.456 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.457 -5.835 -40.679 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -4.120 -6.104 -38.344 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -3.245 -5.205 -40.784 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -2.902 -5.475 -38.445 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.465 -5.026 -39.664 1.00 0.00 C ATOM 0 H PHE A 95 -7.264 -5.096 -38.100 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.080 -5.735 -40.834 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.415 -7.210 -38.300 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.168 -7.928 -39.880 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.064 -5.978 -41.561 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.461 -6.457 -37.382 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.902 -4.849 -41.744 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.291 -5.335 -37.566 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.508 -4.532 -39.746 1.00 0.00 H new ATOM 1504 N ARG A 96 -9.566 -6.979 -39.413 1.00 0.00 N ATOM 1505 CA ARG A 96 -10.826 -7.656 -39.711 1.00 0.00 C ATOM 1506 C ARG A 96 -11.355 -7.188 -41.088 1.00 0.00 C ATOM 1507 O ARG A 96 -11.980 -7.937 -41.807 1.00 0.00 O ATOM 1508 CB ARG A 96 -11.876 -7.346 -38.647 1.00 0.00 C ATOM 1509 CG ARG A 96 -12.110 -5.869 -38.491 1.00 0.00 C ATOM 1510 CD ARG A 96 -13.559 -5.504 -38.353 1.00 0.00 C ATOM 1511 NE ARG A 96 -14.162 -5.975 -37.097 1.00 0.00 N ATOM 1512 CZ ARG A 96 -15.222 -5.404 -36.488 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -15.860 -4.391 -37.056 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -15.645 -5.859 -35.320 1.00 0.00 N ATOM 0 H ARG A 96 -9.579 -6.416 -38.562 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.641 -8.730 -39.723 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.814 -7.834 -38.912 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.557 -7.764 -37.692 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.569 -5.514 -37.614 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.693 -5.350 -39.354 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.660 -4.420 -38.412 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -14.113 -5.923 -39.193 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.748 -6.795 -36.653 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.551 -4.037 -37.961 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.660 -3.966 -36.588 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.169 -6.645 -34.876 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.447 -5.424 -34.863 1.00 0.00 H new ATOM 1528 N GLN A 97 -11.116 -5.922 -41.412 1.00 0.00 N ATOM 1529 CA GLN A 97 -11.522 -5.362 -42.687 1.00 0.00 C ATOM 1530 C GLN A 97 -10.550 -5.836 -43.755 1.00 0.00 C ATOM 1531 O GLN A 97 -10.946 -6.332 -44.808 1.00 0.00 O ATOM 1532 CB GLN A 97 -11.469 -3.831 -42.628 1.00 0.00 C ATOM 1533 CG GLN A 97 -12.203 -3.214 -41.455 1.00 0.00 C ATOM 1534 CD GLN A 97 -11.981 -1.727 -41.367 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -12.727 -0.929 -41.913 1.00 0.00 O ATOM 1536 NE2 GLN A 97 -10.932 -1.368 -40.707 1.00 0.00 N ATOM 0 H GLN A 97 -10.638 -5.262 -40.799 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.538 -5.682 -42.916 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.425 -3.519 -42.590 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.888 -3.431 -43.551 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.270 -3.416 -41.549 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.869 -3.685 -40.531 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.340 -2.073 -40.268 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.695 -0.379 -40.624 1.00 0.00 H new