USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=31 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= 0.945 USER MOD Set 1.2: A 55 ASN :FLIP amide:sc= 0.246 F(o=1.7,f=2.4) USER MOD Set 1.3: A 56 SER OG : rot 75:sc= 1.18 USER MOD Set 1.4: A 87 ASN :FLIP amide:sc= 0 F(o=1.4,f=2.4) USER MOD Set 1.5: A 89 MET CE :methyl 153:sc= 0 (180deg=-0.122) USER MOD Set 1.6: A 97 GLN :FLIP amide:sc=-0.00137 F(o=-0.0069!,f=2.4) USER MOD Set 2.1: A 51 GLN :FLIP amide:sc= -0.103 F(o=-4.5,f=-3.9) USER MOD Set 2.2: A 53 ASN : amide:sc= -3.81! C(o=-3.9!,f=-5.3!) USER MOD Set 3.1: A 34 TYR OH : rot 99:sc= 0.911 USER MOD Set 3.2: A 40 SER OG : rot -45:sc= 1.42 USER MOD Single : A 10 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 11 THR OG1 : rot 25:sc= -0.687 USER MOD Single : A 12 TYR OH : rot -137:sc= 0.0915 USER MOD Single : A 18 TYR OH : rot 104:sc= 0.784 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 150:sc= -0.975 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0516 USER MOD Single : A 31 SER OG : rot 82:sc= 0.105 USER MOD Single : A 33 MET CE :methyl -161:sc= -2.36 (180deg=-2.77) USER MOD Single : A 36 MET CE :methyl 173:sc= -0.4 (180deg=-0.524) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 150:sc= -2.19! USER MOD Single : A 62 SER OG : rot 180:sc= 0.00685 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -134:sc= 1.2 (180deg=-0.646) USER MOD Single : A 76 CYS SG : rot -40:sc= -3.32! USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.579 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 122 N PHE A 9 -0.476 -3.038 -22.903 1.00 0.00 N ATOM 123 CA PHE A 9 -0.359 -2.186 -24.044 1.00 0.00 C ATOM 124 C PHE A 9 -1.244 -2.738 -25.117 1.00 0.00 C ATOM 125 O PHE A 9 -1.180 -3.928 -25.446 1.00 0.00 O ATOM 126 CB PHE A 9 1.101 -2.043 -24.514 1.00 0.00 C ATOM 127 CG PHE A 9 1.938 -1.176 -23.606 1.00 0.00 C ATOM 128 CD1 PHE A 9 2.420 -1.655 -22.398 1.00 0.00 C ATOM 129 CD2 PHE A 9 2.226 0.132 -23.964 1.00 0.00 C ATOM 130 CE1 PHE A 9 3.174 -0.848 -21.568 1.00 0.00 C ATOM 131 CE2 PHE A 9 2.978 0.943 -23.138 1.00 0.00 C ATOM 132 CZ PHE A 9 3.453 0.453 -21.939 1.00 0.00 C ATOM 0 HA PHE A 9 -0.677 -1.176 -23.785 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.553 -3.033 -24.578 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.112 -1.622 -25.519 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.204 -2.671 -22.102 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.857 0.522 -24.901 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.545 -1.234 -20.630 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.194 1.960 -23.430 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.042 1.086 -21.291 1.00 0.00 H new ATOM 142 N ASN A 10 -2.078 -1.903 -25.634 1.00 0.00 N ATOM 143 CA ASN A 10 -3.072 -2.312 -26.579 1.00 0.00 C ATOM 144 C ASN A 10 -2.576 -1.975 -27.941 1.00 0.00 C ATOM 145 O ASN A 10 -1.425 -1.569 -28.088 1.00 0.00 O ATOM 146 CB ASN A 10 -4.399 -1.611 -26.270 1.00 0.00 C ATOM 147 CG ASN A 10 -5.006 -2.087 -24.962 1.00 0.00 C ATOM 148 OD1 ASN A 10 -4.573 -1.513 -23.874 1.00 0.00 O flip ATOM 149 ND2 ASN A 10 -5.823 -3.004 -24.932 1.00 0.00 N flip ATOM 0 H ASN A 10 -2.094 -0.907 -25.414 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.251 -3.386 -26.520 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.237 -0.534 -26.223 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.102 -1.793 -27.083 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.142 -3.432 -25.801 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.183 -3.337 -24.038 1.00 0.00 H new ATOM 156 N THR A 11 -3.368 -2.145 -28.937 1.00 0.00 N ATOM 157 CA THR A 11 -2.901 -1.828 -30.220 1.00 0.00 C ATOM 158 C THR A 11 -4.008 -1.242 -31.095 1.00 0.00 C ATOM 159 O THR A 11 -5.110 -1.802 -31.239 1.00 0.00 O ATOM 160 CB THR A 11 -2.156 -3.031 -30.852 1.00 0.00 C ATOM 161 OG1 THR A 11 -1.434 -2.627 -32.024 1.00 0.00 O ATOM 162 CG2 THR A 11 -3.089 -4.199 -31.173 1.00 0.00 C ATOM 0 H THR A 11 -4.324 -2.496 -28.883 1.00 0.00 H new ATOM 0 HA THR A 11 -2.160 -1.033 -30.136 1.00 0.00 H new ATOM 0 HB THR A 11 -1.446 -3.386 -30.105 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.232 -1.670 -31.970 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.514 -5.014 -31.613 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.566 -4.546 -30.257 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.853 -3.871 -31.878 1.00 0.00 H new ATOM 170 N TYR A 12 -3.723 -0.093 -31.634 1.00 0.00 N ATOM 171 CA TYR A 12 -4.666 0.637 -32.420 1.00 0.00 C ATOM 172 C TYR A 12 -4.102 0.980 -33.754 1.00 0.00 C ATOM 173 O TYR A 12 -2.896 0.953 -33.948 1.00 0.00 O ATOM 174 CB TYR A 12 -5.070 1.923 -31.725 1.00 0.00 C ATOM 175 CG TYR A 12 -5.880 1.753 -30.473 1.00 0.00 C ATOM 176 CD1 TYR A 12 -7.266 1.614 -30.525 1.00 0.00 C ATOM 177 CD2 TYR A 12 -5.263 1.765 -29.232 1.00 0.00 C ATOM 178 CE1 TYR A 12 -8.003 1.491 -29.356 1.00 0.00 C ATOM 179 CE2 TYR A 12 -5.987 1.650 -28.074 1.00 0.00 C ATOM 180 CZ TYR A 12 -7.350 1.514 -28.133 1.00 0.00 C ATOM 181 OH TYR A 12 -8.067 1.410 -26.962 1.00 0.00 O ATOM 0 H TYR A 12 -2.818 0.367 -31.537 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.539 -0.004 -32.547 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.167 2.482 -31.480 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.641 2.531 -32.427 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.769 1.602 -31.481 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.189 1.867 -29.176 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -9.076 1.378 -29.398 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.485 1.666 -27.118 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.722 2.054 -26.309 1.00 0.00 H new ATOM 191 N VAL A 13 -4.978 1.306 -34.637 1.00 0.00 N ATOM 192 CA VAL A 13 -4.678 1.739 -35.972 1.00 0.00 C ATOM 193 C VAL A 13 -5.349 3.077 -36.218 1.00 0.00 C ATOM 194 O VAL A 13 -6.477 3.308 -35.773 1.00 0.00 O ATOM 195 CB VAL A 13 -5.124 0.684 -37.040 1.00 0.00 C ATOM 196 CG1 VAL A 13 -5.261 1.299 -38.419 1.00 0.00 C ATOM 197 CG2 VAL A 13 -4.091 -0.403 -37.125 1.00 0.00 C ATOM 0 H VAL A 13 -5.979 1.279 -34.445 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.598 1.847 -36.071 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.093 0.294 -36.728 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.572 0.533 -39.130 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.008 2.093 -38.391 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.302 1.714 -38.729 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.398 -1.139 -37.868 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.133 0.028 -37.416 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.991 -0.887 -36.153 1.00 0.00 H new ATOM 207 N VAL A 14 -4.664 3.951 -36.879 1.00 0.00 N ATOM 208 CA VAL A 14 -5.200 5.221 -37.188 1.00 0.00 C ATOM 209 C VAL A 14 -5.211 5.436 -38.670 1.00 0.00 C ATOM 210 O VAL A 14 -4.203 5.278 -39.341 1.00 0.00 O ATOM 211 CB VAL A 14 -4.481 6.379 -36.463 1.00 0.00 C ATOM 212 CG1 VAL A 14 -2.973 6.341 -36.679 1.00 0.00 C ATOM 213 CG2 VAL A 14 -5.061 7.716 -36.901 1.00 0.00 C ATOM 0 H VAL A 14 -3.714 3.797 -37.218 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.226 5.228 -36.819 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.651 6.256 -35.393 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.509 7.174 -36.151 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.574 5.401 -36.297 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.756 6.421 -37.744 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.545 8.524 -36.382 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.931 7.834 -37.977 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.123 7.749 -36.658 1.00 0.00 H new ATOM 223 N SER A 15 -6.338 5.762 -39.158 1.00 0.00 N ATOM 224 CA SER A 15 -6.526 6.013 -40.536 1.00 0.00 C ATOM 225 C SER A 15 -6.644 7.515 -40.735 1.00 0.00 C ATOM 226 O SER A 15 -7.610 8.130 -40.290 1.00 0.00 O ATOM 227 CB SER A 15 -7.773 5.258 -40.995 1.00 0.00 C ATOM 228 OG SER A 15 -7.605 3.872 -40.749 1.00 0.00 O ATOM 0 H SER A 15 -7.184 5.866 -38.598 1.00 0.00 H new ATOM 0 HA SER A 15 -5.686 5.663 -41.136 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.651 5.628 -40.465 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.945 5.431 -42.057 1.00 0.00 H new ATOM 0 HG SER A 15 -6.808 3.550 -41.220 1.00 0.00 H new ATOM 234 N PHE A 16 -5.615 8.113 -41.302 1.00 0.00 N ATOM 235 CA PHE A 16 -5.616 9.552 -41.525 1.00 0.00 C ATOM 236 C PHE A 16 -6.217 9.903 -42.853 1.00 0.00 C ATOM 237 O PHE A 16 -6.025 9.186 -43.843 1.00 0.00 O ATOM 238 CB PHE A 16 -4.216 10.162 -41.426 1.00 0.00 C ATOM 239 CG PHE A 16 -3.713 10.350 -40.035 1.00 0.00 C ATOM 240 CD1 PHE A 16 -3.980 11.522 -39.355 1.00 0.00 C ATOM 241 CD2 PHE A 16 -2.969 9.378 -39.411 1.00 0.00 C ATOM 242 CE1 PHE A 16 -3.517 11.716 -38.077 1.00 0.00 C ATOM 243 CE2 PHE A 16 -2.499 9.569 -38.131 1.00 0.00 C ATOM 244 CZ PHE A 16 -2.775 10.740 -37.464 1.00 0.00 C ATOM 0 H PHE A 16 -4.772 7.633 -41.616 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.229 9.975 -40.729 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.518 9.523 -41.967 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.220 11.129 -41.930 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.561 12.296 -39.835 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.751 8.456 -39.929 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.737 12.636 -37.556 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.913 8.799 -37.650 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.408 10.890 -36.459 1.00 0.00 H new ATOM 254 N ASP A 17 -6.939 10.989 -42.877 1.00 0.00 N ATOM 255 CA ASP A 17 -7.542 11.489 -44.091 1.00 0.00 C ATOM 256 C ASP A 17 -7.382 12.948 -44.075 1.00 0.00 C ATOM 257 O ASP A 17 -7.562 13.583 -43.014 1.00 0.00 O ATOM 258 CB ASP A 17 -9.002 11.188 -44.121 1.00 0.00 C ATOM 259 CG ASP A 17 -9.621 11.338 -45.496 1.00 0.00 C ATOM 260 OD1 ASP A 17 -10.031 12.462 -45.866 1.00 0.00 O ATOM 261 OD2 ASP A 17 -9.726 10.330 -46.224 1.00 0.00 O ATOM 0 H ASP A 17 -7.129 11.559 -42.053 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.070 11.024 -44.957 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.162 10.169 -43.768 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.516 11.851 -43.425 1.00 0.00 H new ATOM 266 N TYR A 18 -7.047 13.489 -45.194 1.00 0.00 N ATOM 267 CA TYR A 18 -6.770 14.883 -45.302 1.00 0.00 C ATOM 268 C TYR A 18 -6.667 15.266 -46.774 1.00 0.00 C ATOM 269 O TYR A 18 -6.222 14.450 -47.595 1.00 0.00 O ATOM 270 CB TYR A 18 -5.462 15.187 -44.540 1.00 0.00 C ATOM 271 CG TYR A 18 -4.217 14.487 -45.088 1.00 0.00 C ATOM 272 CD1 TYR A 18 -3.463 15.043 -46.119 1.00 0.00 C ATOM 273 CD2 TYR A 18 -3.818 13.261 -44.575 1.00 0.00 C ATOM 274 CE1 TYR A 18 -2.354 14.393 -46.624 1.00 0.00 C ATOM 275 CE2 TYR A 18 -2.715 12.601 -45.075 1.00 0.00 C ATOM 276 CZ TYR A 18 -1.985 13.171 -46.104 1.00 0.00 C ATOM 277 OH TYR A 18 -0.891 12.505 -46.625 1.00 0.00 O ATOM 0 H TYR A 18 -6.956 12.974 -46.070 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.573 15.473 -44.860 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.292 16.264 -44.556 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.592 14.900 -43.496 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.751 15.999 -46.531 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.382 12.815 -43.769 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.779 14.840 -47.422 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.422 11.645 -44.666 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.132 12.593 -46.012 1.00 0.00 H new ATOM 287 N PRO A 19 -7.122 16.470 -47.142 1.00 0.00 N ATOM 288 CA PRO A 19 -7.004 16.961 -48.510 1.00 0.00 C ATOM 289 C PRO A 19 -5.540 17.218 -48.909 1.00 0.00 C ATOM 290 O PRO A 19 -4.679 17.489 -48.052 1.00 0.00 O ATOM 291 CB PRO A 19 -7.795 18.269 -48.513 1.00 0.00 C ATOM 292 CG PRO A 19 -7.913 18.674 -47.085 1.00 0.00 C ATOM 293 CD PRO A 19 -7.822 17.424 -46.262 1.00 0.00 C ATOM 0 HA PRO A 19 -7.379 16.232 -49.229 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.283 19.035 -49.096 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.778 18.131 -48.963 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.119 19.371 -46.816 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.859 19.184 -46.907 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.270 17.594 -45.338 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.809 17.058 -45.981 1.00 0.00 H new ATOM 301 N SER A 20 -5.280 17.184 -50.205 1.00 0.00 N ATOM 302 CA SER A 20 -3.943 17.327 -50.767 1.00 0.00 C ATOM 303 C SER A 20 -3.318 18.704 -50.486 1.00 0.00 C ATOM 304 O SER A 20 -2.097 18.879 -50.587 1.00 0.00 O ATOM 305 CB SER A 20 -4.014 17.057 -52.254 1.00 0.00 C ATOM 306 OG SER A 20 -4.618 15.785 -52.490 1.00 0.00 O ATOM 0 H SER A 20 -6.004 17.054 -50.911 1.00 0.00 H new ATOM 0 HA SER A 20 -3.289 16.602 -50.281 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.590 17.840 -52.747 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.013 17.079 -52.684 1.00 0.00 H new ATOM 0 HG SER A 20 -4.662 15.618 -53.455 1.00 0.00 H new ATOM 312 N SER A 21 -4.149 19.658 -50.096 1.00 0.00 N ATOM 313 CA SER A 21 -3.693 20.984 -49.735 1.00 0.00 C ATOM 314 C SER A 21 -2.755 20.908 -48.513 1.00 0.00 C ATOM 315 O SER A 21 -1.920 21.780 -48.303 1.00 0.00 O ATOM 316 CB SER A 21 -4.913 21.896 -49.445 1.00 0.00 C ATOM 317 OG SER A 21 -4.537 23.253 -49.213 1.00 0.00 O ATOM 0 H SER A 21 -5.158 19.531 -50.022 1.00 0.00 H new ATOM 0 HA SER A 21 -3.132 21.413 -50.565 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.604 21.852 -50.287 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.448 21.516 -48.574 1.00 0.00 H new ATOM 0 HG SER A 21 -5.338 23.789 -49.037 1.00 0.00 H new ATOM 323 N TYR A 22 -2.868 19.841 -47.727 1.00 0.00 N ATOM 324 CA TYR A 22 -2.054 19.723 -46.544 1.00 0.00 C ATOM 325 C TYR A 22 -1.074 18.584 -46.633 1.00 0.00 C ATOM 326 O TYR A 22 -0.518 18.182 -45.624 1.00 0.00 O ATOM 327 CB TYR A 22 -2.912 19.556 -45.313 1.00 0.00 C ATOM 328 CG TYR A 22 -3.947 20.616 -45.151 1.00 0.00 C ATOM 329 CD1 TYR A 22 -3.595 21.922 -44.874 1.00 0.00 C ATOM 330 CD2 TYR A 22 -5.272 20.307 -45.296 1.00 0.00 C ATOM 331 CE1 TYR A 22 -4.551 22.899 -44.756 1.00 0.00 C ATOM 332 CE2 TYR A 22 -6.245 21.266 -45.175 1.00 0.00 C ATOM 333 CZ TYR A 22 -5.879 22.569 -44.908 1.00 0.00 C ATOM 334 OH TYR A 22 -6.839 23.551 -44.814 1.00 0.00 O ATOM 0 H TYR A 22 -3.507 19.063 -47.892 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.485 20.650 -46.468 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.404 18.584 -45.354 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.270 19.551 -44.432 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.553 22.178 -44.749 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.557 19.288 -45.510 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.264 23.919 -44.546 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.287 21.004 -45.288 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.726 23.155 -44.946 1.00 0.00 H new ATOM 344 N SER A 23 -0.822 18.096 -47.824 1.00 0.00 N ATOM 345 CA SER A 23 0.132 17.010 -48.008 1.00 0.00 C ATOM 346 C SER A 23 1.518 17.424 -47.516 1.00 0.00 C ATOM 347 O SER A 23 2.127 16.719 -46.740 1.00 0.00 O ATOM 348 CB SER A 23 0.150 16.578 -49.469 1.00 0.00 C ATOM 349 OG SER A 23 -1.144 16.127 -49.874 1.00 0.00 O ATOM 0 H SER A 23 -1.259 18.428 -48.684 1.00 0.00 H new ATOM 0 HA SER A 23 -0.177 16.152 -47.410 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.464 17.412 -50.097 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.880 15.781 -49.610 1.00 0.00 H new ATOM 0 HG SER A 23 -1.269 16.308 -50.829 1.00 0.00 H new ATOM 355 N SER A 24 1.936 18.625 -47.860 1.00 0.00 N ATOM 356 CA SER A 24 3.231 19.128 -47.456 1.00 0.00 C ATOM 357 C SER A 24 3.255 19.484 -45.956 1.00 0.00 C ATOM 358 O SER A 24 4.306 19.550 -45.325 1.00 0.00 O ATOM 359 CB SER A 24 3.566 20.329 -48.322 1.00 0.00 C ATOM 360 OG SER A 24 2.435 21.197 -48.406 1.00 0.00 O ATOM 0 H SER A 24 1.390 19.276 -48.424 1.00 0.00 H new ATOM 0 HA SER A 24 3.986 18.355 -47.597 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.417 20.865 -47.902 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.858 19.999 -49.319 1.00 0.00 H new ATOM 0 HG SER A 24 2.657 21.971 -48.964 1.00 0.00 H new ATOM 366 N VAL A 25 2.089 19.643 -45.394 1.00 0.00 N ATOM 367 CA VAL A 25 1.936 20.022 -44.002 1.00 0.00 C ATOM 368 C VAL A 25 1.985 18.793 -43.124 1.00 0.00 C ATOM 369 O VAL A 25 2.606 18.774 -42.058 1.00 0.00 O ATOM 370 CB VAL A 25 0.586 20.741 -43.780 1.00 0.00 C ATOM 371 CG1 VAL A 25 0.312 20.936 -42.306 1.00 0.00 C ATOM 372 CG2 VAL A 25 0.561 22.066 -44.508 1.00 0.00 C ATOM 0 H VAL A 25 1.205 19.514 -45.887 1.00 0.00 H new ATOM 0 HA VAL A 25 2.751 20.697 -43.742 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.203 20.110 -44.189 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.644 21.444 -42.178 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.276 19.966 -41.811 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.106 21.539 -41.865 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.398 22.556 -44.339 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.364 22.701 -44.135 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.699 21.897 -45.576 1.00 0.00 H new ATOM 382 N PHE A 26 1.389 17.761 -43.608 1.00 0.00 N ATOM 383 CA PHE A 26 1.245 16.543 -42.892 1.00 0.00 C ATOM 384 C PHE A 26 2.586 15.830 -42.720 1.00 0.00 C ATOM 385 O PHE A 26 2.761 15.001 -41.821 1.00 0.00 O ATOM 386 CB PHE A 26 0.212 15.686 -43.608 1.00 0.00 C ATOM 387 CG PHE A 26 0.375 14.225 -43.362 1.00 0.00 C ATOM 388 CD1 PHE A 26 -0.138 13.650 -42.221 1.00 0.00 C ATOM 389 CD2 PHE A 26 1.099 13.437 -44.248 1.00 0.00 C ATOM 390 CE1 PHE A 26 0.069 12.322 -41.962 1.00 0.00 C ATOM 391 CE2 PHE A 26 1.300 12.104 -43.997 1.00 0.00 C ATOM 392 CZ PHE A 26 0.790 11.547 -42.851 1.00 0.00 C ATOM 0 H PHE A 26 0.976 17.740 -44.540 1.00 0.00 H new ATOM 0 HA PHE A 26 0.893 16.745 -41.880 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.785 15.991 -43.289 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.275 15.875 -44.680 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.707 14.250 -41.526 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.508 13.879 -45.144 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.331 11.879 -41.062 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.856 11.497 -44.696 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.953 10.500 -42.643 1.00 0.00 H new ATOM 402 N LEU A 27 3.547 16.200 -43.529 1.00 0.00 N ATOM 403 CA LEU A 27 4.867 15.594 -43.475 1.00 0.00 C ATOM 404 C LEU A 27 5.542 15.930 -42.140 1.00 0.00 C ATOM 405 O LEU A 27 6.511 15.300 -41.740 1.00 0.00 O ATOM 406 CB LEU A 27 5.737 16.095 -44.611 1.00 0.00 C ATOM 407 CG LEU A 27 5.093 16.146 -45.990 1.00 0.00 C ATOM 408 CD1 LEU A 27 6.087 16.619 -47.019 1.00 0.00 C ATOM 409 CD2 LEU A 27 4.473 14.810 -46.376 1.00 0.00 C ATOM 0 H LEU A 27 3.445 16.923 -44.241 1.00 0.00 H new ATOM 0 HA LEU A 27 4.749 14.515 -43.569 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.083 17.097 -44.359 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.620 15.459 -44.670 1.00 0.00 H new ATOM 0 HG LEU A 27 4.277 16.868 -45.953 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.610 16.649 -47.999 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.437 17.617 -46.755 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.934 15.933 -47.049 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.025 14.890 -47.366 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.245 14.041 -46.388 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.705 14.542 -45.650 1.00 0.00 H new ATOM 421 N ARG A 28 5.006 16.918 -41.464 1.00 0.00 N ATOM 422 CA ARG A 28 5.488 17.303 -40.161 1.00 0.00 C ATOM 423 C ARG A 28 4.846 16.374 -39.142 1.00 0.00 C ATOM 424 O ARG A 28 5.505 15.800 -38.299 1.00 0.00 O ATOM 425 CB ARG A 28 5.085 18.754 -39.863 1.00 0.00 C ATOM 426 CG ARG A 28 5.416 19.736 -40.984 1.00 0.00 C ATOM 427 CD ARG A 28 6.883 19.712 -41.326 1.00 0.00 C ATOM 428 NE ARG A 28 7.694 20.163 -40.190 1.00 0.00 N ATOM 429 CZ ARG A 28 9.016 20.066 -40.072 1.00 0.00 C ATOM 430 NH1 ARG A 28 9.738 19.500 -41.024 1.00 0.00 N ATOM 431 NH2 ARG A 28 9.609 20.535 -38.986 1.00 0.00 N ATOM 0 H ARG A 28 4.223 17.477 -41.803 1.00 0.00 H new ATOM 0 HA ARG A 28 6.575 17.231 -40.119 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.013 18.789 -39.668 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.585 19.079 -38.951 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.831 19.489 -41.870 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.128 20.743 -40.683 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.178 18.702 -41.610 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.070 20.352 -42.188 1.00 0.00 H new ATOM 0 HE ARG A 28 7.194 20.594 -39.412 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.282 19.132 -41.859 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.751 19.431 -40.923 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.053 20.967 -38.248 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.622 20.465 -38.887 1.00 0.00 H new ATOM 445 N LEU A 29 3.552 16.163 -39.325 1.00 0.00 N ATOM 446 CA LEU A 29 2.720 15.350 -38.440 1.00 0.00 C ATOM 447 C LEU A 29 3.179 13.884 -38.480 1.00 0.00 C ATOM 448 O LEU A 29 3.103 13.173 -37.480 1.00 0.00 O ATOM 449 CB LEU A 29 1.234 15.506 -38.889 1.00 0.00 C ATOM 450 CG LEU A 29 0.086 15.006 -37.962 1.00 0.00 C ATOM 451 CD1 LEU A 29 -0.085 13.504 -38.017 1.00 0.00 C ATOM 452 CD2 LEU A 29 0.307 15.466 -36.524 1.00 0.00 C ATOM 0 H LEU A 29 3.035 16.560 -40.110 1.00 0.00 H new ATOM 0 HA LEU A 29 2.815 15.685 -37.407 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.061 16.566 -39.077 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.128 14.991 -39.844 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.836 15.451 -38.335 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.897 13.206 -37.354 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.320 13.202 -39.037 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.839 13.021 -37.699 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.508 15.104 -35.897 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.253 15.068 -36.156 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.334 16.555 -36.491 1.00 0.00 H new ATOM 464 N ARG A 30 3.704 13.454 -39.625 1.00 0.00 N ATOM 465 CA ARG A 30 4.160 12.066 -39.777 1.00 0.00 C ATOM 466 C ARG A 30 5.367 11.821 -38.887 1.00 0.00 C ATOM 467 O ARG A 30 5.524 10.764 -38.293 1.00 0.00 O ATOM 468 CB ARG A 30 4.463 11.736 -41.243 1.00 0.00 C ATOM 469 CG ARG A 30 5.720 12.368 -41.785 1.00 0.00 C ATOM 470 CD ARG A 30 5.914 12.129 -43.271 1.00 0.00 C ATOM 471 NE ARG A 30 7.105 12.837 -43.746 1.00 0.00 N ATOM 472 CZ ARG A 30 7.584 12.829 -44.994 1.00 0.00 C ATOM 473 NH1 ARG A 30 7.024 12.061 -45.929 1.00 0.00 N ATOM 474 NH2 ARG A 30 8.633 13.594 -45.287 1.00 0.00 N ATOM 0 H ARG A 30 3.825 14.035 -40.454 1.00 0.00 H new ATOM 0 HA ARG A 30 3.358 11.397 -39.463 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.542 10.654 -41.349 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.619 12.055 -41.855 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.690 13.441 -41.597 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.580 11.973 -41.244 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.015 11.061 -43.465 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.036 12.471 -43.819 1.00 0.00 H new ATOM 0 HE ARG A 30 7.618 13.389 -43.059 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.224 11.474 -45.694 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.396 12.061 -46.879 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.059 14.174 -44.564 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.011 13.600 -46.234 1.00 0.00 H new ATOM 488 N SER A 31 6.167 12.837 -38.764 1.00 0.00 N ATOM 489 CA SER A 31 7.337 12.804 -37.923 1.00 0.00 C ATOM 490 C SER A 31 6.928 12.733 -36.453 1.00 0.00 C ATOM 491 O SER A 31 7.574 12.063 -35.651 1.00 0.00 O ATOM 492 CB SER A 31 8.194 14.027 -38.206 1.00 0.00 C ATOM 493 OG SER A 31 8.508 14.097 -39.599 1.00 0.00 O ATOM 0 H SER A 31 6.029 13.724 -39.248 1.00 0.00 H new ATOM 0 HA SER A 31 7.925 11.913 -38.143 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.666 14.930 -37.899 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.112 13.980 -37.620 1.00 0.00 H new ATOM 0 HG SER A 31 7.757 14.499 -40.084 1.00 0.00 H new ATOM 499 N LEU A 32 5.798 13.353 -36.137 1.00 0.00 N ATOM 500 CA LEU A 32 5.271 13.369 -34.771 1.00 0.00 C ATOM 501 C LEU A 32 4.800 11.993 -34.355 1.00 0.00 C ATOM 502 O LEU A 32 4.898 11.615 -33.190 1.00 0.00 O ATOM 503 CB LEU A 32 4.120 14.379 -34.611 1.00 0.00 C ATOM 504 CG LEU A 32 4.479 15.836 -34.248 1.00 0.00 C ATOM 505 CD1 LEU A 32 5.116 15.905 -32.869 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.398 16.469 -35.276 1.00 0.00 C ATOM 0 H LEU A 32 5.222 13.856 -36.812 1.00 0.00 H new ATOM 0 HA LEU A 32 6.090 13.679 -34.122 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.559 14.396 -35.545 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.447 13.999 -33.842 1.00 0.00 H new ATOM 0 HG LEU A 32 3.547 16.402 -34.241 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.361 16.940 -32.633 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.418 15.519 -32.126 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.026 15.305 -32.858 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.624 17.493 -34.980 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.323 15.897 -35.338 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.907 16.472 -36.249 1.00 0.00 H new ATOM 518 N MET A 33 4.299 11.246 -35.313 1.00 0.00 N ATOM 519 CA MET A 33 3.803 9.907 -35.075 1.00 0.00 C ATOM 520 C MET A 33 4.901 9.025 -34.503 1.00 0.00 C ATOM 521 O MET A 33 4.750 8.427 -33.431 1.00 0.00 O ATOM 522 CB MET A 33 3.333 9.277 -36.373 1.00 0.00 C ATOM 523 CG MET A 33 2.323 10.067 -37.135 1.00 0.00 C ATOM 524 SD MET A 33 1.831 9.200 -38.612 1.00 0.00 S ATOM 525 CE MET A 33 0.698 10.365 -39.303 1.00 0.00 C ATOM 0 H MET A 33 4.223 11.550 -36.284 1.00 0.00 H new ATOM 0 HA MET A 33 2.975 9.984 -34.370 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.200 9.113 -37.013 1.00 0.00 H new ATOM 0 HB3 MET A 33 2.911 8.297 -36.150 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.451 10.253 -36.508 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.738 11.040 -37.399 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.055 9.863 -40.026 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.086 10.792 -38.509 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.252 11.160 -39.801 1.00 0.00 H new ATOM 535 N TYR A 34 6.017 8.985 -35.205 1.00 0.00 N ATOM 536 CA TYR A 34 7.137 8.131 -34.837 1.00 0.00 C ATOM 537 C TYR A 34 7.923 8.729 -33.686 1.00 0.00 C ATOM 538 O TYR A 34 8.711 8.042 -33.026 1.00 0.00 O ATOM 539 CB TYR A 34 8.026 7.894 -36.039 1.00 0.00 C ATOM 540 CG TYR A 34 7.294 7.274 -37.203 1.00 0.00 C ATOM 541 CD1 TYR A 34 6.823 5.970 -37.135 1.00 0.00 C ATOM 542 CD2 TYR A 34 7.072 7.991 -38.373 1.00 0.00 C ATOM 543 CE1 TYR A 34 6.161 5.405 -38.191 1.00 0.00 C ATOM 544 CE2 TYR A 34 6.402 7.424 -39.439 1.00 0.00 C ATOM 545 CZ TYR A 34 5.950 6.129 -39.339 1.00 0.00 C ATOM 546 OH TYR A 34 5.287 5.540 -40.402 1.00 0.00 O ATOM 0 H TYR A 34 6.176 9.541 -36.045 1.00 0.00 H new ATOM 0 HA TYR A 34 6.745 7.171 -34.502 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.461 8.842 -36.354 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.853 7.245 -35.750 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.981 5.393 -36.236 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.429 9.007 -38.449 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.804 4.388 -38.122 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.235 7.992 -40.342 1.00 0.00 H new ATOM 0 HH TYR A 34 4.346 5.813 -40.393 1.00 0.00 H new ATOM 556 N ASP A 35 7.731 10.013 -33.481 1.00 0.00 N ATOM 557 CA ASP A 35 8.273 10.726 -32.319 1.00 0.00 C ATOM 558 C ASP A 35 7.611 10.186 -31.061 1.00 0.00 C ATOM 559 O ASP A 35 8.239 10.042 -30.003 1.00 0.00 O ATOM 560 CB ASP A 35 7.989 12.229 -32.460 1.00 0.00 C ATOM 561 CG ASP A 35 8.363 13.052 -31.248 1.00 0.00 C ATOM 562 OD1 ASP A 35 9.543 13.401 -31.091 1.00 0.00 O ATOM 563 OD2 ASP A 35 7.459 13.408 -30.448 1.00 0.00 O ATOM 0 H ASP A 35 7.193 10.606 -34.113 1.00 0.00 H new ATOM 0 HA ASP A 35 9.351 10.576 -32.257 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.533 12.610 -33.324 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.928 12.368 -32.665 1.00 0.00 H new ATOM 568 N MET A 36 6.340 9.859 -31.196 1.00 0.00 N ATOM 569 CA MET A 36 5.563 9.303 -30.119 1.00 0.00 C ATOM 570 C MET A 36 5.628 7.764 -30.113 1.00 0.00 C ATOM 571 O MET A 36 6.705 7.192 -29.986 1.00 0.00 O ATOM 572 CB MET A 36 4.115 9.823 -30.153 1.00 0.00 C ATOM 573 CG MET A 36 3.991 11.306 -29.826 1.00 0.00 C ATOM 574 SD MET A 36 2.295 11.933 -29.962 1.00 0.00 S ATOM 575 CE MET A 36 2.056 11.934 -31.745 1.00 0.00 C ATOM 0 H MET A 36 5.819 9.975 -32.065 1.00 0.00 H new ATOM 0 HA MET A 36 6.003 9.640 -29.180 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.696 9.642 -31.143 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.516 9.252 -29.444 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.354 11.479 -28.813 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.635 11.874 -30.497 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.018 12.177 -31.973 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.711 12.678 -32.199 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.294 10.948 -32.145 1.00 0.00 H new ATOM 585 N ASN A 37 4.497 7.101 -30.272 1.00 0.00 N ATOM 586 CA ASN A 37 4.459 5.632 -30.190 1.00 0.00 C ATOM 587 C ASN A 37 3.951 4.946 -31.445 1.00 0.00 C ATOM 588 O ASN A 37 3.815 3.722 -31.474 1.00 0.00 O ATOM 589 CB ASN A 37 3.651 5.167 -28.984 1.00 0.00 C ATOM 590 CG ASN A 37 4.484 5.052 -27.732 1.00 0.00 C ATOM 591 OD1 ASN A 37 5.033 3.993 -27.439 1.00 0.00 O ATOM 592 ND2 ASN A 37 4.591 6.115 -26.987 1.00 0.00 N ATOM 0 H ASN A 37 3.595 7.541 -30.457 1.00 0.00 H new ATOM 0 HA ASN A 37 5.501 5.333 -30.076 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.834 5.867 -28.808 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.200 4.199 -29.205 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.144 6.084 -26.131 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.122 6.978 -27.260 1.00 0.00 H new ATOM 599 N PHE A 38 3.624 5.716 -32.454 1.00 0.00 N ATOM 600 CA PHE A 38 3.109 5.159 -33.704 1.00 0.00 C ATOM 601 C PHE A 38 4.199 4.421 -34.482 1.00 0.00 C ATOM 602 O PHE A 38 5.386 4.733 -34.355 1.00 0.00 O ATOM 603 CB PHE A 38 2.512 6.248 -34.570 1.00 0.00 C ATOM 604 CG PHE A 38 1.379 6.951 -33.913 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.616 8.017 -33.065 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.082 6.537 -34.117 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.594 8.654 -32.438 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.952 7.174 -33.483 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.685 8.236 -32.641 1.00 0.00 C ATOM 0 H PHE A 38 3.702 6.733 -32.445 1.00 0.00 H new ATOM 0 HA PHE A 38 2.331 4.442 -33.442 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.287 6.973 -34.820 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.168 5.812 -35.508 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.630 8.348 -32.899 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.121 5.708 -34.779 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.795 9.488 -31.782 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.969 6.848 -33.641 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.498 8.739 -32.139 1.00 0.00 H new ATOM 619 N SER A 39 3.794 3.462 -35.277 1.00 0.00 N ATOM 620 CA SER A 39 4.703 2.644 -36.048 1.00 0.00 C ATOM 621 C SER A 39 4.234 2.506 -37.505 1.00 0.00 C ATOM 622 O SER A 39 3.101 2.871 -37.846 1.00 0.00 O ATOM 623 CB SER A 39 4.771 1.270 -35.427 1.00 0.00 C ATOM 624 OG SER A 39 5.165 1.329 -34.060 1.00 0.00 O ATOM 0 H SER A 39 2.811 3.223 -35.410 1.00 0.00 H new ATOM 0 HA SER A 39 5.682 3.122 -36.044 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.797 0.787 -35.504 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.477 0.654 -35.983 1.00 0.00 H new ATOM 0 HG SER A 39 5.197 0.422 -33.689 1.00 0.00 H new ATOM 630 N SER A 40 5.108 1.961 -38.343 1.00 0.00 N ATOM 631 CA SER A 40 4.837 1.752 -39.747 1.00 0.00 C ATOM 632 C SER A 40 4.399 0.321 -40.004 1.00 0.00 C ATOM 633 O SER A 40 3.789 0.023 -41.033 1.00 0.00 O ATOM 634 CB SER A 40 6.103 1.983 -40.529 1.00 0.00 C ATOM 635 OG SER A 40 6.710 3.198 -40.170 1.00 0.00 O ATOM 0 H SER A 40 6.036 1.650 -38.055 1.00 0.00 H new ATOM 0 HA SER A 40 4.047 2.440 -40.049 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.797 1.161 -40.353 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.879 1.987 -41.596 1.00 0.00 H new ATOM 0 HG SER A 40 6.031 3.903 -40.129 1.00 0.00 H new ATOM 641 N ILE A 41 4.767 -0.551 -39.107 1.00 0.00 N ATOM 642 CA ILE A 41 4.472 -1.960 -39.208 1.00 0.00 C ATOM 643 C ILE A 41 3.747 -2.396 -37.957 1.00 0.00 C ATOM 644 O ILE A 41 4.018 -1.877 -36.867 1.00 0.00 O ATOM 645 CB ILE A 41 5.796 -2.829 -39.395 1.00 0.00 C ATOM 646 CG1 ILE A 41 6.314 -2.863 -40.841 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.674 -4.241 -38.856 1.00 0.00 C ATOM 648 CD1 ILE A 41 6.866 -1.569 -41.352 1.00 0.00 C ATOM 0 H ILE A 41 5.290 -0.301 -38.268 1.00 0.00 H new ATOM 0 HA ILE A 41 3.848 -2.121 -40.087 1.00 0.00 H new ATOM 0 HB ILE A 41 6.535 -2.303 -38.791 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.090 -3.625 -40.914 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.499 -3.175 -41.494 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.611 -4.774 -39.017 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.455 -4.205 -37.789 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.868 -4.760 -39.374 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.205 -1.699 -42.380 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.090 -0.804 -41.319 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.706 -1.261 -40.730 1.00 0.00 H new ATOM 660 N VAL A 42 2.832 -3.295 -38.118 1.00 0.00 N ATOM 661 CA VAL A 42 2.131 -3.882 -37.026 1.00 0.00 C ATOM 662 C VAL A 42 1.880 -5.338 -37.386 1.00 0.00 C ATOM 663 O VAL A 42 1.714 -5.672 -38.567 1.00 0.00 O ATOM 664 CB VAL A 42 0.792 -3.135 -36.734 1.00 0.00 C ATOM 665 CG1 VAL A 42 -0.187 -3.295 -37.868 1.00 0.00 C ATOM 666 CG2 VAL A 42 0.172 -3.592 -35.429 1.00 0.00 C ATOM 0 H VAL A 42 2.546 -3.648 -39.031 1.00 0.00 H new ATOM 0 HA VAL A 42 2.724 -3.808 -36.114 1.00 0.00 H new ATOM 0 HB VAL A 42 1.032 -2.076 -36.640 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.108 -2.762 -37.631 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.244 -2.886 -38.782 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.406 -4.353 -38.013 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.758 -3.050 -35.259 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.034 -4.661 -35.479 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.862 -3.394 -34.609 1.00 0.00 H new ATOM 676 N ALA A 43 1.977 -6.196 -36.425 1.00 0.00 N ATOM 677 CA ALA A 43 1.679 -7.581 -36.618 1.00 0.00 C ATOM 678 C ALA A 43 0.187 -7.776 -36.879 1.00 0.00 C ATOM 679 O ALA A 43 -0.660 -7.144 -36.241 1.00 0.00 O ATOM 680 CB ALA A 43 2.117 -8.389 -35.410 1.00 0.00 C ATOM 0 H ALA A 43 2.267 -5.957 -35.477 1.00 0.00 H new ATOM 0 HA ALA A 43 2.230 -7.935 -37.490 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.883 -9.441 -35.572 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.191 -8.274 -35.265 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.591 -8.033 -34.524 1.00 0.00 H new ATOM 686 N ASP A 44 -0.109 -8.621 -37.831 1.00 0.00 N ATOM 687 CA ASP A 44 -1.477 -8.984 -38.185 1.00 0.00 C ATOM 688 C ASP A 44 -1.957 -10.018 -37.149 1.00 0.00 C ATOM 689 O ASP A 44 -1.220 -10.332 -36.191 1.00 0.00 O ATOM 690 CB ASP A 44 -1.458 -9.635 -39.582 1.00 0.00 C ATOM 691 CG ASP A 44 -2.784 -9.610 -40.316 1.00 0.00 C ATOM 692 OD1 ASP A 44 -3.684 -10.396 -39.953 1.00 0.00 O ATOM 693 OD2 ASP A 44 -2.906 -8.853 -41.286 1.00 0.00 O ATOM 0 H ASP A 44 0.597 -9.090 -38.398 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.134 -8.114 -38.194 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.711 -9.128 -40.193 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.135 -10.671 -39.480 1.00 0.00 H new ATOM 698 N GLU A 45 -3.101 -10.625 -37.377 1.00 0.00 N ATOM 699 CA GLU A 45 -3.672 -11.586 -36.418 1.00 0.00 C ATOM 700 C GLU A 45 -2.832 -12.858 -36.432 1.00 0.00 C ATOM 701 O GLU A 45 -2.770 -13.610 -35.458 1.00 0.00 O ATOM 702 CB GLU A 45 -5.136 -11.919 -36.771 1.00 0.00 C ATOM 703 CG GLU A 45 -5.295 -12.698 -38.067 1.00 0.00 C ATOM 704 CD GLU A 45 -6.724 -12.925 -38.462 1.00 0.00 C ATOM 705 OE1 GLU A 45 -7.288 -12.083 -39.175 1.00 0.00 O ATOM 706 OE2 GLU A 45 -7.303 -13.973 -38.093 1.00 0.00 O ATOM 0 H GLU A 45 -3.665 -10.480 -38.214 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.660 -11.141 -35.423 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.574 -12.495 -35.956 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.702 -10.990 -36.845 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.787 -12.161 -38.868 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.798 -13.663 -37.964 1.00 0.00 H new ATOM 713 N TYR A 46 -2.163 -13.060 -37.557 1.00 0.00 N ATOM 714 CA TYR A 46 -1.317 -14.214 -37.773 1.00 0.00 C ATOM 715 C TYR A 46 0.070 -13.944 -37.219 1.00 0.00 C ATOM 716 O TYR A 46 0.908 -14.834 -37.148 1.00 0.00 O ATOM 717 CB TYR A 46 -1.194 -14.502 -39.268 1.00 0.00 C ATOM 718 CG TYR A 46 -2.506 -14.551 -39.986 1.00 0.00 C ATOM 719 CD1 TYR A 46 -3.363 -15.629 -39.838 1.00 0.00 C ATOM 720 CD2 TYR A 46 -2.902 -13.497 -40.793 1.00 0.00 C ATOM 721 CE1 TYR A 46 -4.577 -15.658 -40.482 1.00 0.00 C ATOM 722 CE2 TYR A 46 -4.116 -13.521 -41.431 1.00 0.00 C ATOM 723 CZ TYR A 46 -4.949 -14.602 -41.273 1.00 0.00 C ATOM 724 OH TYR A 46 -6.172 -14.620 -41.906 1.00 0.00 O ATOM 0 H TYR A 46 -2.195 -12.419 -38.350 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.763 -15.070 -37.267 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.569 -13.735 -39.726 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -0.681 -15.454 -39.404 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.074 -16.457 -39.208 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.248 -12.647 -40.921 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.234 -16.507 -40.366 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.416 -12.693 -42.056 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.283 -13.797 -42.427 1.00 0.00 H new ATOM 734 N GLY A 47 0.309 -12.704 -36.852 1.00 0.00 N ATOM 735 CA GLY A 47 1.603 -12.320 -36.358 1.00 0.00 C ATOM 736 C GLY A 47 2.531 -11.898 -37.469 1.00 0.00 C ATOM 737 O GLY A 47 3.737 -11.857 -37.290 1.00 0.00 O ATOM 0 H GLY A 47 -0.377 -11.950 -36.888 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.491 -11.500 -35.648 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.045 -13.155 -35.814 1.00 0.00 H new ATOM 741 N ILE A 48 1.972 -11.590 -38.621 1.00 0.00 N ATOM 742 CA ILE A 48 2.760 -11.167 -39.760 1.00 0.00 C ATOM 743 C ILE A 48 2.875 -9.663 -39.752 1.00 0.00 C ATOM 744 O ILE A 48 1.873 -8.976 -39.640 1.00 0.00 O ATOM 745 CB ILE A 48 2.193 -11.708 -41.137 1.00 0.00 C ATOM 746 CG1 ILE A 48 2.704 -13.132 -41.413 1.00 0.00 C ATOM 747 CG2 ILE A 48 2.544 -10.798 -42.315 1.00 0.00 C ATOM 748 CD1 ILE A 48 2.281 -14.168 -40.410 1.00 0.00 C ATOM 0 H ILE A 48 0.967 -11.625 -38.794 1.00 0.00 H new ATOM 0 HA ILE A 48 3.754 -11.605 -39.667 1.00 0.00 H new ATOM 0 HB ILE A 48 1.107 -11.720 -41.042 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.357 -13.441 -42.399 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.793 -13.109 -41.451 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.131 -11.216 -43.233 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.124 -9.806 -42.147 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.628 -10.722 -42.406 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.692 -15.137 -40.693 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.651 -13.891 -39.423 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.193 -14.228 -40.386 1.00 0.00 H new ATOM 760 N PRO A 49 4.092 -9.138 -39.799 1.00 0.00 N ATOM 761 CA PRO A 49 4.327 -7.700 -39.779 1.00 0.00 C ATOM 762 C PRO A 49 3.863 -7.035 -41.083 1.00 0.00 C ATOM 763 O PRO A 49 4.472 -7.191 -42.146 1.00 0.00 O ATOM 764 CB PRO A 49 5.848 -7.591 -39.607 1.00 0.00 C ATOM 765 CG PRO A 49 6.386 -8.860 -40.177 1.00 0.00 C ATOM 766 CD PRO A 49 5.357 -9.909 -39.883 1.00 0.00 C ATOM 0 HA PRO A 49 3.772 -7.193 -38.990 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.244 -6.722 -40.132 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.121 -7.481 -38.557 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.553 -8.767 -41.250 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.345 -9.116 -39.726 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.316 -10.663 -40.669 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.571 -10.432 -38.951 1.00 0.00 H new ATOM 774 N ARG A 50 2.754 -6.381 -40.994 1.00 0.00 N ATOM 775 CA ARG A 50 2.144 -5.688 -42.090 1.00 0.00 C ATOM 776 C ARG A 50 2.465 -4.179 -42.056 1.00 0.00 C ATOM 777 O ARG A 50 2.503 -3.573 -40.981 1.00 0.00 O ATOM 778 CB ARG A 50 0.646 -5.918 -41.984 1.00 0.00 C ATOM 779 CG ARG A 50 0.192 -7.328 -42.362 1.00 0.00 C ATOM 780 CD ARG A 50 0.271 -7.476 -43.856 1.00 0.00 C ATOM 781 NE ARG A 50 -0.171 -8.778 -44.399 1.00 0.00 N ATOM 782 CZ ARG A 50 -1.426 -9.038 -44.799 1.00 0.00 C ATOM 783 NH1 ARG A 50 -2.475 -8.647 -44.057 1.00 0.00 N ATOM 784 NH2 ARG A 50 -1.620 -9.858 -45.825 1.00 0.00 N ATOM 0 H ARG A 50 2.224 -6.309 -40.126 1.00 0.00 H new ATOM 0 HA ARG A 50 2.533 -6.066 -43.035 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.331 -5.711 -40.961 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.135 -5.201 -42.627 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.823 -8.071 -41.875 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.828 -7.501 -42.019 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.331 -6.690 -44.312 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.303 -7.307 -44.165 1.00 0.00 H new ATOM 0 HE ARG A 50 0.520 -9.525 -44.474 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.322 -8.148 -43.181 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.425 -8.849 -44.370 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.821 -10.281 -46.298 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.568 -10.065 -46.140 1.00 0.00 H new ATOM 798 N GLN A 51 2.730 -3.600 -43.234 1.00 0.00 N ATOM 799 CA GLN A 51 2.955 -2.149 -43.391 1.00 0.00 C ATOM 800 C GLN A 51 1.643 -1.388 -43.317 1.00 0.00 C ATOM 801 O GLN A 51 0.561 -1.961 -43.498 1.00 0.00 O ATOM 802 CB GLN A 51 3.627 -1.817 -44.716 1.00 0.00 C ATOM 803 CG GLN A 51 5.143 -1.883 -44.736 1.00 0.00 C ATOM 804 CD GLN A 51 5.809 -0.537 -44.470 1.00 0.00 C ATOM 805 OE1 GLN A 51 5.279 0.223 -43.551 1.00 0.00 O flip ATOM 806 NE2 GLN A 51 6.865 -0.238 -45.013 1.00 0.00 N flip ATOM 0 H GLN A 51 2.795 -4.121 -44.109 1.00 0.00 H new ATOM 0 HA GLN A 51 3.611 -1.848 -42.574 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.245 -2.500 -45.474 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.324 -0.812 -45.011 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.478 -2.601 -43.987 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.471 -2.257 -45.706 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.261 -0.847 -45.729 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.349 0.620 -44.749 1.00 0.00 H new ATOM 815 N LEU A 52 1.745 -0.100 -43.094 1.00 0.00 N ATOM 816 CA LEU A 52 0.564 0.744 -42.844 1.00 0.00 C ATOM 817 C LEU A 52 0.557 2.033 -43.670 1.00 0.00 C ATOM 818 O LEU A 52 -0.496 2.543 -44.011 1.00 0.00 O ATOM 819 CB LEU A 52 0.605 1.122 -41.360 1.00 0.00 C ATOM 820 CG LEU A 52 0.714 -0.068 -40.417 1.00 0.00 C ATOM 821 CD1 LEU A 52 0.969 0.375 -39.023 1.00 0.00 C ATOM 822 CD2 LEU A 52 -0.527 -0.927 -40.497 1.00 0.00 C ATOM 0 H LEU A 52 2.632 0.404 -43.077 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.329 0.185 -43.125 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.452 1.786 -41.189 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.296 1.685 -41.115 1.00 0.00 H new ATOM 0 HG LEU A 52 1.565 -0.672 -40.732 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.042 -0.496 -38.372 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.903 0.936 -38.985 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.150 1.011 -38.688 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.429 -1.772 -39.816 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.398 -0.335 -40.218 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.650 -1.295 -41.516 1.00 0.00 H new ATOM 834 N ASN A 53 1.740 2.474 -44.059 1.00 0.00 N ATOM 835 CA ASN A 53 2.065 3.858 -44.592 1.00 0.00 C ATOM 836 C ASN A 53 1.396 4.248 -45.893 1.00 0.00 C ATOM 837 O ASN A 53 1.752 5.267 -46.519 1.00 0.00 O ATOM 838 CB ASN A 53 3.576 4.004 -44.713 1.00 0.00 C ATOM 839 CG ASN A 53 4.280 3.617 -43.434 1.00 0.00 C ATOM 840 OD1 ASN A 53 5.410 3.154 -43.450 1.00 0.00 O ATOM 841 ND2 ASN A 53 3.600 3.728 -42.325 1.00 0.00 N ATOM 0 H ASN A 53 2.565 1.876 -44.025 1.00 0.00 H new ATOM 0 HA ASN A 53 1.647 4.551 -43.862 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.937 3.380 -45.530 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.823 5.035 -44.966 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.011 3.424 -41.442 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.658 4.119 -42.341 1.00 0.00 H new ATOM 848 N GLU A 54 0.435 3.500 -46.248 1.00 0.00 N ATOM 849 CA GLU A 54 -0.379 3.734 -47.399 1.00 0.00 C ATOM 850 C GLU A 54 -1.348 4.846 -47.044 1.00 0.00 C ATOM 851 O GLU A 54 -1.581 5.762 -47.826 1.00 0.00 O ATOM 852 CB GLU A 54 -1.190 2.503 -47.698 1.00 0.00 C ATOM 853 CG GLU A 54 -0.423 1.213 -47.617 1.00 0.00 C ATOM 854 CD GLU A 54 -1.336 0.042 -47.746 1.00 0.00 C ATOM 855 OE1 GLU A 54 -2.068 -0.247 -46.781 1.00 0.00 O ATOM 856 OE2 GLU A 54 -1.365 -0.593 -48.820 1.00 0.00 O ATOM 0 H GLU A 54 0.168 2.663 -45.730 1.00 0.00 H new ATOM 0 HA GLU A 54 0.242 3.988 -48.258 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.027 2.457 -47.001 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.613 2.597 -48.698 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.328 1.182 -48.406 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.110 1.161 -46.667 1.00 0.00 H new ATOM 863 N ASN A 55 -1.899 4.748 -45.835 1.00 0.00 N ATOM 864 CA ASN A 55 -2.856 5.734 -45.329 1.00 0.00 C ATOM 865 C ASN A 55 -2.991 5.630 -43.802 1.00 0.00 C ATOM 866 O ASN A 55 -3.205 6.641 -43.114 1.00 0.00 O ATOM 867 CB ASN A 55 -4.261 5.583 -46.001 1.00 0.00 C ATOM 868 CG ASN A 55 -5.295 4.833 -45.143 1.00 0.00 C ATOM 869 OD1 ASN A 55 -5.290 3.537 -45.186 1.00 0.00 O flip ATOM 870 ND2 ASN A 55 -6.053 5.438 -44.394 1.00 0.00 N flip ATOM 0 H ASN A 55 -1.698 3.990 -45.183 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.465 6.719 -45.586 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.649 6.575 -46.232 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.143 5.058 -46.949 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.043 6.458 -44.373 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.694 4.922 -43.791 1.00 0.00 H new ATOM 877 N SER A 56 -2.883 4.426 -43.277 1.00 0.00 N ATOM 878 CA SER A 56 -3.046 4.208 -41.873 1.00 0.00 C ATOM 879 C SER A 56 -1.718 4.007 -41.173 1.00 0.00 C ATOM 880 O SER A 56 -0.682 3.962 -41.798 1.00 0.00 O ATOM 881 CB SER A 56 -3.988 3.033 -41.637 1.00 0.00 C ATOM 882 OG SER A 56 -5.262 3.296 -42.224 1.00 0.00 O ATOM 0 H SER A 56 -2.681 3.584 -43.816 1.00 0.00 H new ATOM 0 HA SER A 56 -3.490 5.103 -41.438 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.563 2.125 -42.065 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.102 2.858 -40.567 1.00 0.00 H new ATOM 0 HG SER A 56 -5.199 3.201 -43.197 1.00 0.00 H new ATOM 888 N PHE A 57 -1.754 3.979 -39.875 1.00 0.00 N ATOM 889 CA PHE A 57 -0.590 3.745 -39.056 1.00 0.00 C ATOM 890 C PHE A 57 -1.075 3.025 -37.821 1.00 0.00 C ATOM 891 O PHE A 57 -2.279 2.915 -37.628 1.00 0.00 O ATOM 892 CB PHE A 57 0.095 5.062 -38.655 1.00 0.00 C ATOM 893 CG PHE A 57 0.487 5.959 -39.808 1.00 0.00 C ATOM 894 CD1 PHE A 57 -0.409 6.893 -40.314 1.00 0.00 C ATOM 895 CD2 PHE A 57 1.735 5.847 -40.397 1.00 0.00 C ATOM 896 CE1 PHE A 57 -0.066 7.693 -41.386 1.00 0.00 C ATOM 897 CE2 PHE A 57 2.085 6.652 -41.468 1.00 0.00 C ATOM 898 CZ PHE A 57 1.183 7.572 -41.963 1.00 0.00 C ATOM 0 H PHE A 57 -2.610 4.121 -39.338 1.00 0.00 H new ATOM 0 HA PHE A 57 0.147 3.161 -39.607 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.574 5.615 -37.996 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.989 4.827 -38.078 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.385 6.994 -39.863 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.442 5.125 -40.017 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.773 8.412 -41.773 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.063 6.560 -41.916 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.454 8.197 -42.801 1.00 0.00 H new ATOM 908 N ALA A 58 -0.189 2.546 -36.996 1.00 0.00 N ATOM 909 CA ALA A 58 -0.601 1.819 -35.814 1.00 0.00 C ATOM 910 C ALA A 58 0.149 2.300 -34.625 1.00 0.00 C ATOM 911 O ALA A 58 1.152 2.989 -34.759 1.00 0.00 O ATOM 912 CB ALA A 58 -0.407 0.320 -35.975 1.00 0.00 C ATOM 0 H ALA A 58 0.820 2.641 -37.112 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.666 2.005 -35.672 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.728 -0.188 -35.066 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.000 -0.035 -36.818 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.646 0.107 -36.157 1.00 0.00 H new ATOM 918 N ILE A 59 -0.329 1.944 -33.476 1.00 0.00 N ATOM 919 CA ILE A 59 0.279 2.325 -32.253 1.00 0.00 C ATOM 920 C ILE A 59 0.014 1.248 -31.192 1.00 0.00 C ATOM 921 O ILE A 59 -1.009 0.553 -31.246 1.00 0.00 O ATOM 922 CB ILE A 59 -0.250 3.711 -31.809 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.492 4.189 -30.579 1.00 0.00 C ATOM 924 CG2 ILE A 59 -1.768 3.683 -31.564 1.00 0.00 C ATOM 925 CD1 ILE A 59 0.308 5.645 -30.314 1.00 0.00 C ATOM 0 H ILE A 59 -1.166 1.372 -33.365 1.00 0.00 H new ATOM 0 HA ILE A 59 1.358 2.411 -32.385 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.066 4.417 -32.619 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.151 3.622 -29.713 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.555 3.979 -30.699 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.105 4.672 -31.254 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.280 3.397 -32.483 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.997 2.960 -30.781 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.865 5.925 -29.420 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.675 6.219 -31.165 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.751 5.857 -30.164 1.00 0.00 H new ATOM 937 N THR A 60 0.926 1.091 -30.264 1.00 0.00 N ATOM 938 CA THR A 60 0.795 0.092 -29.229 1.00 0.00 C ATOM 939 C THR A 60 0.461 0.787 -27.879 1.00 0.00 C ATOM 940 O THR A 60 0.843 0.333 -26.806 1.00 0.00 O ATOM 941 CB THR A 60 2.105 -0.776 -29.141 1.00 0.00 C ATOM 942 OG1 THR A 60 1.898 -1.938 -28.317 1.00 0.00 O ATOM 943 CG2 THR A 60 3.285 0.028 -28.591 1.00 0.00 C ATOM 0 H THR A 60 1.777 1.649 -30.204 1.00 0.00 H new ATOM 0 HA THR A 60 -0.023 -0.587 -29.469 1.00 0.00 H new ATOM 0 HB THR A 60 2.343 -1.089 -30.158 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.725 -2.463 -28.278 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.169 -0.608 -28.546 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.482 0.878 -29.244 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.046 0.387 -27.590 1.00 0.00 H new ATOM 951 N THR A 61 -0.354 1.820 -27.963 1.00 0.00 N ATOM 952 CA THR A 61 -0.694 2.632 -26.813 1.00 0.00 C ATOM 953 C THR A 61 -1.769 1.932 -25.954 1.00 0.00 C ATOM 954 O THR A 61 -2.371 0.937 -26.368 1.00 0.00 O ATOM 955 CB THR A 61 -1.208 4.032 -27.260 1.00 0.00 C ATOM 956 OG1 THR A 61 -1.327 4.895 -26.130 1.00 0.00 O ATOM 957 CG2 THR A 61 -2.570 3.917 -27.936 1.00 0.00 C ATOM 0 H THR A 61 -0.799 2.119 -28.831 1.00 0.00 H new ATOM 0 HA THR A 61 0.208 2.763 -26.215 1.00 0.00 H new ATOM 0 HB THR A 61 -0.488 4.444 -27.968 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.174 5.822 -26.409 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.910 4.907 -28.240 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.488 3.276 -28.814 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.287 3.486 -27.238 1.00 0.00 H new ATOM 965 N SER A 62 -1.997 2.445 -24.781 1.00 0.00 N ATOM 966 CA SER A 62 -2.930 1.871 -23.868 1.00 0.00 C ATOM 967 C SER A 62 -4.071 2.847 -23.509 1.00 0.00 C ATOM 968 O SER A 62 -4.904 2.554 -22.632 1.00 0.00 O ATOM 969 CB SER A 62 -2.153 1.458 -22.646 1.00 0.00 C ATOM 970 OG SER A 62 -1.268 2.504 -22.268 1.00 0.00 O ATOM 0 H SER A 62 -1.533 3.283 -24.431 1.00 0.00 H new ATOM 0 HA SER A 62 -3.418 1.010 -24.325 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.836 1.232 -21.827 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.590 0.548 -22.851 1.00 0.00 H new ATOM 0 HG SER A 62 -0.764 2.235 -21.472 1.00 0.00 H new ATOM 976 N LEU A 63 -4.089 3.990 -24.167 1.00 0.00 N ATOM 977 CA LEU A 63 -5.132 4.984 -23.984 1.00 0.00 C ATOM 978 C LEU A 63 -6.308 4.728 -24.902 1.00 0.00 C ATOM 979 O LEU A 63 -6.376 3.684 -25.571 1.00 0.00 O ATOM 980 CB LEU A 63 -4.568 6.422 -24.102 1.00 0.00 C ATOM 981 CG LEU A 63 -3.636 6.739 -25.267 1.00 0.00 C ATOM 982 CD1 LEU A 63 -4.349 6.871 -26.571 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.766 7.944 -24.971 1.00 0.00 C ATOM 0 H LEU A 63 -3.378 4.258 -24.847 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.516 4.890 -22.968 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.414 7.108 -24.157 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.034 6.647 -23.178 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.979 5.876 -25.376 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.629 7.097 -27.358 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.859 5.936 -26.803 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.080 7.677 -26.506 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.115 8.141 -25.823 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.398 8.813 -24.789 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.158 7.746 -24.088 1.00 0.00 H new ATOM 995 N ALA A 64 -7.223 5.653 -24.951 1.00 0.00 N ATOM 996 CA ALA A 64 -8.428 5.424 -25.704 1.00 0.00 C ATOM 997 C ALA A 64 -8.383 6.091 -27.057 1.00 0.00 C ATOM 998 O ALA A 64 -7.524 6.917 -27.309 1.00 0.00 O ATOM 999 CB ALA A 64 -9.670 5.841 -24.935 1.00 0.00 C ATOM 0 H ALA A 64 -7.163 6.560 -24.488 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.489 4.348 -25.867 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.555 5.650 -25.542 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.734 5.269 -24.010 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.613 6.904 -24.701 1.00 0.00 H new ATOM 1005 N ALA A 65 -9.338 5.749 -27.900 1.00 0.00 N ATOM 1006 CA ALA A 65 -9.440 6.255 -29.264 1.00 0.00 C ATOM 1007 C ALA A 65 -9.463 7.771 -29.313 1.00 0.00 C ATOM 1008 O ALA A 65 -8.662 8.389 -30.021 1.00 0.00 O ATOM 1009 CB ALA A 65 -10.659 5.667 -29.960 1.00 0.00 C ATOM 0 H ALA A 65 -10.083 5.097 -27.655 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.545 5.936 -29.798 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.720 6.055 -30.977 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.572 4.581 -29.991 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.560 5.943 -29.412 1.00 0.00 H new ATOM 1015 N SER A 66 -10.312 8.366 -28.502 1.00 0.00 N ATOM 1016 CA SER A 66 -10.435 9.816 -28.469 1.00 0.00 C ATOM 1017 C SER A 66 -9.182 10.455 -27.866 1.00 0.00 C ATOM 1018 O SER A 66 -8.903 11.641 -28.089 1.00 0.00 O ATOM 1019 CB SER A 66 -11.682 10.225 -27.689 1.00 0.00 C ATOM 1020 OG SER A 66 -12.843 9.654 -28.270 1.00 0.00 O ATOM 0 H SER A 66 -10.928 7.873 -27.856 1.00 0.00 H new ATOM 0 HA SER A 66 -10.535 10.177 -29.493 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.591 9.902 -26.652 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.771 11.311 -27.678 1.00 0.00 H new ATOM 0 HG SER A 66 -13.633 9.925 -27.757 1.00 0.00 H new ATOM 1026 N GLU A 67 -8.389 9.639 -27.176 1.00 0.00 N ATOM 1027 CA GLU A 67 -7.198 10.106 -26.540 1.00 0.00 C ATOM 1028 C GLU A 67 -6.094 10.108 -27.541 1.00 0.00 C ATOM 1029 O GLU A 67 -5.288 11.013 -27.544 1.00 0.00 O ATOM 1030 CB GLU A 67 -6.811 9.238 -25.357 1.00 0.00 C ATOM 1031 CG GLU A 67 -7.829 9.205 -24.249 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.064 10.553 -23.626 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -7.232 11.001 -22.812 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -9.087 11.168 -23.901 1.00 0.00 O ATOM 0 H GLU A 67 -8.568 8.642 -27.053 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.380 11.112 -26.162 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.642 8.220 -25.709 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.864 9.597 -24.953 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.772 8.823 -24.641 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.498 8.508 -23.479 1.00 0.00 H new ATOM 1041 N ILE A 68 -6.052 9.070 -28.398 1.00 0.00 N ATOM 1042 CA ILE A 68 -5.064 9.028 -29.483 1.00 0.00 C ATOM 1043 C ILE A 68 -5.239 10.260 -30.337 1.00 0.00 C ATOM 1044 O ILE A 68 -4.281 10.949 -30.647 1.00 0.00 O ATOM 1045 CB ILE A 68 -5.197 7.809 -30.429 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -5.640 6.565 -29.680 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -3.869 7.573 -31.126 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -5.457 5.273 -30.402 1.00 0.00 C ATOM 0 H ILE A 68 -6.679 8.266 -28.359 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.091 8.964 -28.996 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.966 8.025 -31.171 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.091 6.515 -28.740 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.695 6.672 -29.428 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.956 6.716 -31.794 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.599 8.457 -31.704 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.097 7.376 -30.382 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.806 4.453 -29.775 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.030 5.290 -31.329 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.401 5.130 -30.631 1.00 0.00 H new ATOM 1060 N GLU A 69 -6.491 10.543 -30.676 1.00 0.00 N ATOM 1061 CA GLU A 69 -6.835 11.714 -31.457 1.00 0.00 C ATOM 1062 C GLU A 69 -6.309 12.973 -30.783 1.00 0.00 C ATOM 1063 O GLU A 69 -5.562 13.726 -31.374 1.00 0.00 O ATOM 1064 CB GLU A 69 -8.338 11.817 -31.634 1.00 0.00 C ATOM 1065 CG GLU A 69 -8.931 10.706 -32.454 1.00 0.00 C ATOM 1066 CD GLU A 69 -10.427 10.800 -32.557 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -10.934 11.702 -33.258 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -11.134 9.958 -31.977 1.00 0.00 O ATOM 0 H GLU A 69 -7.291 9.966 -30.416 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.372 11.615 -32.439 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.810 11.823 -30.652 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.574 12.770 -32.107 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.499 10.728 -33.455 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.660 9.748 -32.011 1.00 0.00 H new ATOM 1075 N ASP A 70 -6.673 13.146 -29.528 1.00 0.00 N ATOM 1076 CA ASP A 70 -6.237 14.294 -28.699 1.00 0.00 C ATOM 1077 C ASP A 70 -4.716 14.414 -28.658 1.00 0.00 C ATOM 1078 O ASP A 70 -4.160 15.500 -28.848 1.00 0.00 O ATOM 1079 CB ASP A 70 -6.824 14.144 -27.279 1.00 0.00 C ATOM 1080 CG ASP A 70 -6.220 15.066 -26.230 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -6.545 16.266 -26.211 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -5.449 14.573 -25.367 1.00 0.00 O ATOM 0 H ASP A 70 -7.285 12.497 -29.034 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.611 15.214 -29.148 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.898 14.326 -27.325 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.689 13.112 -26.954 1.00 0.00 H new ATOM 1087 N LEU A 71 -4.080 13.278 -28.502 1.00 0.00 N ATOM 1088 CA LEU A 71 -2.639 13.132 -28.407 1.00 0.00 C ATOM 1089 C LEU A 71 -1.971 13.675 -29.671 1.00 0.00 C ATOM 1090 O LEU A 71 -0.956 14.350 -29.608 1.00 0.00 O ATOM 1091 CB LEU A 71 -2.346 11.646 -28.286 1.00 0.00 C ATOM 1092 CG LEU A 71 -1.050 11.239 -27.625 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -1.096 11.564 -26.135 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -0.803 9.759 -27.847 1.00 0.00 C ATOM 0 H LEU A 71 -4.571 12.387 -28.434 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.255 13.684 -27.549 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.164 11.187 -27.732 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.360 11.218 -29.288 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.227 11.799 -28.070 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.157 11.266 -25.669 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.244 12.635 -26.001 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.920 11.023 -25.670 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.133 9.471 -27.368 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.623 9.185 -27.416 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.741 9.557 -28.916 1.00 0.00 H new ATOM 1106 N ILE A 72 -2.568 13.380 -30.804 1.00 0.00 N ATOM 1107 CA ILE A 72 -2.060 13.807 -32.103 1.00 0.00 C ATOM 1108 C ILE A 72 -2.444 15.245 -32.382 1.00 0.00 C ATOM 1109 O ILE A 72 -1.610 16.058 -32.777 1.00 0.00 O ATOM 1110 CB ILE A 72 -2.663 12.911 -33.209 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -2.226 11.474 -33.022 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -2.290 13.401 -34.608 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -3.185 10.500 -33.622 1.00 0.00 C ATOM 0 H ILE A 72 -3.427 12.833 -30.858 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.973 13.722 -32.093 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.748 12.969 -33.119 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.243 11.335 -33.473 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.121 11.266 -31.957 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.734 12.743 -35.355 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.664 14.415 -34.750 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.206 13.395 -34.719 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.823 9.485 -33.459 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.162 10.616 -33.154 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.271 10.687 -34.692 1.00 0.00 H new ATOM 1125 N ARG A 73 -3.690 15.574 -32.132 1.00 0.00 N ATOM 1126 CA ARG A 73 -4.200 16.867 -32.515 1.00 0.00 C ATOM 1127 C ARG A 73 -3.634 18.004 -31.656 1.00 0.00 C ATOM 1128 O ARG A 73 -3.656 19.162 -32.066 1.00 0.00 O ATOM 1129 CB ARG A 73 -5.732 16.889 -32.575 1.00 0.00 C ATOM 1130 CG ARG A 73 -6.346 15.771 -33.430 1.00 0.00 C ATOM 1131 CD ARG A 73 -7.822 16.010 -33.751 1.00 0.00 C ATOM 1132 NE ARG A 73 -8.012 17.201 -34.595 1.00 0.00 N ATOM 1133 CZ ARG A 73 -8.590 17.214 -35.815 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -9.208 16.135 -36.296 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -8.594 18.331 -36.528 1.00 0.00 N ATOM 0 H ARG A 73 -4.365 14.967 -31.667 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.844 17.049 -33.529 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.125 16.813 -31.561 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.055 17.852 -32.970 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.786 15.684 -34.361 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.243 14.821 -32.906 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.230 15.136 -34.259 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.381 16.129 -32.823 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.679 18.092 -34.227 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.250 15.281 -35.740 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.639 16.164 -37.220 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.162 19.176 -36.155 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.029 18.346 -37.450 1.00 0.00 H new ATOM 1149 N LEU A 74 -3.096 17.688 -30.482 1.00 0.00 N ATOM 1150 CA LEU A 74 -2.460 18.727 -29.679 1.00 0.00 C ATOM 1151 C LEU A 74 -0.995 18.900 -30.135 1.00 0.00 C ATOM 1152 O LEU A 74 -0.362 19.911 -29.876 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.606 18.457 -28.146 1.00 0.00 C ATOM 1154 CG LEU A 74 -1.705 17.404 -27.487 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -0.407 18.036 -27.010 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -2.421 16.725 -26.332 1.00 0.00 C ATOM 0 H LEU A 74 -3.086 16.753 -30.075 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.974 19.674 -29.844 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.441 19.402 -27.628 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.640 18.168 -27.960 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.468 16.646 -28.233 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.219 17.274 -26.545 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.120 18.470 -27.860 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.628 18.817 -26.283 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.762 15.983 -25.881 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.694 17.470 -25.585 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.322 16.234 -26.700 1.00 0.00 H new ATOM 1168 N LYS A 75 -0.496 17.915 -30.894 1.00 0.00 N ATOM 1169 CA LYS A 75 0.853 17.965 -31.457 1.00 0.00 C ATOM 1170 C LYS A 75 0.833 18.702 -32.778 1.00 0.00 C ATOM 1171 O LYS A 75 1.854 18.888 -33.431 1.00 0.00 O ATOM 1172 CB LYS A 75 1.484 16.560 -31.607 1.00 0.00 C ATOM 1173 CG LYS A 75 2.300 16.083 -30.394 1.00 0.00 C ATOM 1174 CD LYS A 75 1.486 16.076 -29.120 1.00 0.00 C ATOM 1175 CE LYS A 75 2.293 15.629 -27.911 1.00 0.00 C ATOM 1176 NZ LYS A 75 2.780 14.249 -28.046 1.00 0.00 N ATOM 0 H LYS A 75 -1.014 17.069 -31.132 1.00 0.00 H new ATOM 0 HA LYS A 75 1.485 18.510 -30.756 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.689 15.839 -31.798 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.131 16.560 -32.484 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.678 15.079 -30.586 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.167 16.731 -30.265 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.093 17.076 -28.939 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.629 15.414 -29.245 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.141 16.300 -27.775 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.677 15.709 -27.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.604 13.731 -27.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.281 13.780 -28.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.801 14.259 -28.244 1.00 0.00 H new ATOM 1190 N CYS A 76 -0.345 19.173 -33.130 1.00 0.00 N ATOM 1191 CA CYS A 76 -0.562 19.949 -34.328 1.00 0.00 C ATOM 1192 C CYS A 76 0.031 21.351 -34.141 1.00 0.00 C ATOM 1193 O CYS A 76 0.164 22.109 -35.081 1.00 0.00 O ATOM 1194 CB CYS A 76 -2.061 20.007 -34.607 1.00 0.00 C ATOM 1195 SG CYS A 76 -2.584 20.824 -36.130 1.00 0.00 S ATOM 0 H CYS A 76 -1.191 19.024 -32.581 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.067 19.488 -35.183 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.442 18.986 -34.623 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.541 20.513 -33.770 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.859 21.885 -36.324 1.00 0.00 H new ATOM 1201 N LEU A 77 0.404 21.672 -32.902 1.00 0.00 N ATOM 1202 CA LEU A 77 1.063 22.927 -32.585 1.00 0.00 C ATOM 1203 C LEU A 77 2.454 22.964 -33.205 1.00 0.00 C ATOM 1204 O LEU A 77 3.013 24.038 -33.430 1.00 0.00 O ATOM 1205 CB LEU A 77 1.190 23.100 -31.068 1.00 0.00 C ATOM 1206 CG LEU A 77 -0.109 23.112 -30.272 1.00 0.00 C ATOM 1207 CD1 LEU A 77 0.176 23.296 -28.794 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.036 24.198 -30.775 1.00 0.00 C ATOM 0 H LEU A 77 0.255 21.066 -32.095 1.00 0.00 H new ATOM 0 HA LEU A 77 0.458 23.737 -32.992 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.817 22.295 -30.685 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.717 24.034 -30.875 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.604 22.151 -30.411 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.763 23.302 -28.240 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.801 22.476 -28.439 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.695 24.242 -28.639 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.957 24.189 -30.193 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.550 25.168 -30.670 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.269 24.020 -31.825 1.00 0.00 H new ATOM 1220 N ASP A 78 3.004 21.790 -33.473 1.00 0.00 N ATOM 1221 CA ASP A 78 4.333 21.672 -34.064 1.00 0.00 C ATOM 1222 C ASP A 78 4.276 22.125 -35.487 1.00 0.00 C ATOM 1223 O ASP A 78 5.065 22.967 -35.938 1.00 0.00 O ATOM 1224 CB ASP A 78 4.788 20.225 -34.056 1.00 0.00 C ATOM 1225 CG ASP A 78 6.245 20.078 -34.455 1.00 0.00 C ATOM 1226 OD1 ASP A 78 7.120 20.164 -33.569 1.00 0.00 O ATOM 1227 OD2 ASP A 78 6.547 19.884 -35.644 1.00 0.00 O ATOM 0 H ASP A 78 2.548 20.896 -33.290 1.00 0.00 H new ATOM 0 HA ASP A 78 5.027 22.281 -33.485 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.642 19.806 -33.060 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.166 19.647 -34.740 1.00 0.00 H new ATOM 1232 N LEU A 79 3.305 21.603 -36.170 1.00 0.00 N ATOM 1233 CA LEU A 79 3.105 21.882 -37.573 1.00 0.00 C ATOM 1234 C LEU A 79 2.351 23.219 -37.737 1.00 0.00 C ATOM 1235 O LEU A 79 1.807 23.738 -36.759 1.00 0.00 O ATOM 1236 CB LEU A 79 2.355 20.672 -38.201 1.00 0.00 C ATOM 1237 CG LEU A 79 0.954 20.369 -37.666 1.00 0.00 C ATOM 1238 CD1 LEU A 79 -0.087 21.240 -38.322 1.00 0.00 C ATOM 1239 CD2 LEU A 79 0.613 18.907 -37.817 1.00 0.00 C ATOM 0 H LEU A 79 2.617 20.963 -35.772 1.00 0.00 H new ATOM 0 HA LEU A 79 4.052 22.001 -38.099 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.278 20.842 -39.275 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.970 19.783 -38.062 1.00 0.00 H new ATOM 0 HG LEU A 79 0.955 20.601 -36.601 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.070 20.998 -37.919 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.139 22.288 -38.125 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.083 21.064 -39.398 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.389 18.725 -37.427 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.648 18.632 -38.871 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.333 18.306 -37.261 1.00 0.00 H new ATOM 1251 N PRO A 80 2.364 23.821 -38.946 1.00 0.00 N ATOM 1252 CA PRO A 80 1.626 25.061 -39.210 1.00 0.00 C ATOM 1253 C PRO A 80 0.108 24.926 -38.929 1.00 0.00 C ATOM 1254 O PRO A 80 -0.383 25.423 -37.912 1.00 0.00 O ATOM 1255 CB PRO A 80 1.896 25.371 -40.692 1.00 0.00 C ATOM 1256 CG PRO A 80 2.620 24.182 -41.253 1.00 0.00 C ATOM 1257 CD PRO A 80 3.164 23.389 -40.102 1.00 0.00 C ATOM 0 HA PRO A 80 1.956 25.863 -38.549 1.00 0.00 H new ATOM 0 HB2 PRO A 80 0.963 25.545 -41.228 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.496 26.275 -40.796 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.944 23.571 -41.852 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.428 24.503 -41.911 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.064 22.318 -40.276 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.224 23.589 -39.948 1.00 0.00 H new ATOM 1265 N ASP A 81 -0.614 24.237 -39.804 1.00 0.00 N ATOM 1266 CA ASP A 81 -2.060 23.998 -39.636 1.00 0.00 C ATOM 1267 C ASP A 81 -2.540 23.010 -40.674 1.00 0.00 C ATOM 1268 O ASP A 81 -2.083 23.045 -41.814 1.00 0.00 O ATOM 1269 CB ASP A 81 -2.872 25.303 -39.737 1.00 0.00 C ATOM 1270 CG ASP A 81 -4.367 25.073 -39.687 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -4.881 24.594 -38.650 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -5.070 25.402 -40.671 1.00 0.00 O ATOM 0 H ASP A 81 -0.224 23.825 -40.652 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.216 23.588 -38.638 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.585 25.968 -38.922 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.619 25.811 -40.667 1.00 0.00 H new ATOM 1277 N ILE A 82 -3.435 22.126 -40.280 1.00 0.00 N ATOM 1278 CA ILE A 82 -3.961 21.121 -41.154 1.00 0.00 C ATOM 1279 C ILE A 82 -5.338 20.683 -40.715 1.00 0.00 C ATOM 1280 O ILE A 82 -5.568 20.334 -39.551 1.00 0.00 O ATOM 1281 CB ILE A 82 -3.022 19.869 -41.316 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -3.726 18.763 -42.124 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -2.546 19.347 -39.973 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -2.876 17.552 -42.414 1.00 0.00 C ATOM 0 H ILE A 82 -3.815 22.093 -39.334 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.025 21.593 -42.135 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.138 20.187 -41.869 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.614 18.444 -41.579 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.067 19.185 -43.069 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.900 18.483 -40.127 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.989 20.128 -39.455 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.406 19.055 -39.371 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.457 16.829 -42.987 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.000 17.852 -42.990 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.556 17.099 -41.476 1.00 0.00 H new ATOM 1296 N ASP A 83 -6.248 20.772 -41.626 1.00 0.00 N ATOM 1297 CA ASP A 83 -7.565 20.221 -41.448 1.00 0.00 C ATOM 1298 C ASP A 83 -7.527 18.764 -41.849 1.00 0.00 C ATOM 1299 O ASP A 83 -7.463 18.433 -43.035 1.00 0.00 O ATOM 1300 CB ASP A 83 -8.618 20.966 -42.276 1.00 0.00 C ATOM 1301 CG ASP A 83 -9.998 20.336 -42.165 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -10.721 20.616 -41.186 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -10.387 19.560 -43.046 1.00 0.00 O ATOM 0 H ASP A 83 -6.105 21.231 -42.525 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.851 20.328 -40.402 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.668 22.004 -41.946 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.311 20.979 -43.322 1.00 0.00 H new ATOM 1308 N PHE A 84 -7.470 17.917 -40.876 1.00 0.00 N ATOM 1309 CA PHE A 84 -7.449 16.496 -41.101 1.00 0.00 C ATOM 1310 C PHE A 84 -8.433 15.852 -40.174 1.00 0.00 C ATOM 1311 O PHE A 84 -8.816 16.444 -39.152 1.00 0.00 O ATOM 1312 CB PHE A 84 -6.037 15.901 -40.851 1.00 0.00 C ATOM 1313 CG PHE A 84 -5.547 15.970 -39.412 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -5.032 17.139 -38.898 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -5.608 14.856 -38.585 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -4.584 17.211 -37.595 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -5.160 14.920 -37.278 1.00 0.00 C ATOM 1318 CZ PHE A 84 -4.647 16.100 -36.784 1.00 0.00 C ATOM 0 H PHE A 84 -7.436 18.185 -39.893 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.713 16.303 -42.141 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -6.039 14.858 -41.167 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.323 16.425 -41.486 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.978 18.016 -39.526 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.010 13.929 -38.967 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.184 18.138 -37.211 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.212 14.046 -36.645 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.296 16.153 -35.764 1.00 0.00 H new ATOM 1328 N ASP A 85 -8.827 14.671 -40.494 1.00 0.00 N ATOM 1329 CA ASP A 85 -9.706 13.921 -39.649 1.00 0.00 C ATOM 1330 C ASP A 85 -9.235 12.501 -39.643 1.00 0.00 C ATOM 1331 O ASP A 85 -9.053 11.889 -40.703 1.00 0.00 O ATOM 1332 CB ASP A 85 -11.163 14.030 -40.105 1.00 0.00 C ATOM 1333 CG ASP A 85 -12.108 13.254 -39.211 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -12.275 13.613 -38.022 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -12.692 12.267 -39.669 1.00 0.00 O ATOM 0 H ASP A 85 -8.552 14.190 -41.350 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.680 14.326 -38.637 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.459 15.079 -40.118 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.249 13.661 -41.127 1.00 0.00 H new ATOM 1340 N LEU A 86 -8.972 11.991 -38.484 1.00 0.00 N ATOM 1341 CA LEU A 86 -8.434 10.670 -38.360 1.00 0.00 C ATOM 1342 C LEU A 86 -9.467 9.750 -37.773 1.00 0.00 C ATOM 1343 O LEU A 86 -10.302 10.162 -36.957 1.00 0.00 O ATOM 1344 CB LEU A 86 -7.165 10.634 -37.480 1.00 0.00 C ATOM 1345 CG LEU A 86 -7.362 10.830 -35.956 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -6.146 10.432 -35.203 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -7.738 12.248 -35.595 1.00 0.00 C ATOM 0 H LEU A 86 -9.122 12.474 -37.598 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.157 10.341 -39.362 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.670 9.676 -37.637 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.484 11.407 -37.836 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.192 10.183 -35.673 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.314 10.580 -34.136 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.928 9.381 -35.393 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.302 11.042 -35.526 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.863 12.327 -34.515 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.950 12.927 -35.920 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.672 12.514 -36.089 1.00 0.00 H new ATOM 1359 N ASN A 87 -9.431 8.539 -38.191 1.00 0.00 N ATOM 1360 CA ASN A 87 -10.295 7.543 -37.676 1.00 0.00 C ATOM 1361 C ASN A 87 -9.475 6.508 -36.933 1.00 0.00 C ATOM 1362 O ASN A 87 -8.695 5.763 -37.543 1.00 0.00 O ATOM 1363 CB ASN A 87 -11.071 6.897 -38.820 1.00 0.00 C ATOM 1364 CG ASN A 87 -12.005 5.801 -38.371 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -11.514 4.604 -38.326 1.00 0.00 O flip ATOM 1366 ND2 ASN A 87 -13.167 6.043 -38.070 1.00 0.00 N flip ATOM 0 H ASN A 87 -8.791 8.206 -38.912 1.00 0.00 H new ATOM 0 HA ASN A 87 -11.009 7.990 -36.984 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.647 7.665 -39.337 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.364 6.488 -39.542 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -13.518 7.000 -38.118 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -13.784 5.288 -37.771 1.00 0.00 H new ATOM 1373 N ILE A 88 -9.587 6.518 -35.637 1.00 0.00 N ATOM 1374 CA ILE A 88 -8.954 5.538 -34.796 1.00 0.00 C ATOM 1375 C ILE A 88 -9.796 4.272 -34.775 1.00 0.00 C ATOM 1376 O ILE A 88 -11.030 4.324 -34.697 1.00 0.00 O ATOM 1377 CB ILE A 88 -8.791 6.042 -33.340 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -7.894 7.292 -33.280 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -8.216 4.925 -32.463 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -6.487 7.043 -33.747 1.00 0.00 C ATOM 0 H ILE A 88 -10.127 7.215 -35.125 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.963 5.344 -35.207 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.774 6.322 -32.961 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.338 8.078 -33.892 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.868 7.662 -32.255 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -8.104 5.286 -31.441 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.892 4.070 -32.474 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.243 4.623 -32.850 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.912 7.966 -33.678 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.025 6.280 -33.120 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.502 6.702 -34.782 1.00 0.00 H new ATOM 1392 N MET A 89 -9.144 3.166 -34.876 1.00 0.00 N ATOM 1393 CA MET A 89 -9.758 1.881 -34.796 1.00 0.00 C ATOM 1394 C MET A 89 -8.735 0.968 -34.169 1.00 0.00 C ATOM 1395 O MET A 89 -7.577 1.337 -34.072 1.00 0.00 O ATOM 1396 CB MET A 89 -10.146 1.366 -36.204 1.00 0.00 C ATOM 1397 CG MET A 89 -8.956 0.958 -37.079 1.00 0.00 C ATOM 1398 SD MET A 89 -9.422 0.484 -38.759 1.00 0.00 S ATOM 1399 CE MET A 89 -9.843 2.055 -39.471 1.00 0.00 C ATOM 0 H MET A 89 -8.135 3.127 -35.021 1.00 0.00 H new ATOM 0 HA MET A 89 -10.675 1.921 -34.209 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.811 0.509 -36.094 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.710 2.143 -36.719 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.250 1.787 -37.127 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.437 0.124 -36.606 1.00 0.00 H new ATOM 0 HE1 MET A 89 -9.684 2.020 -40.549 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.890 2.279 -39.266 1.00 0.00 H new ATOM 0 HE3 MET A 89 -9.214 2.832 -39.036 1.00 0.00 H new ATOM 1409 N THR A 90 -9.130 -0.149 -33.688 1.00 0.00 N ATOM 1410 CA THR A 90 -8.172 -1.112 -33.236 1.00 0.00 C ATOM 1411 C THR A 90 -7.520 -1.783 -34.431 1.00 0.00 C ATOM 1412 O THR A 90 -8.075 -1.777 -35.532 1.00 0.00 O ATOM 1413 CB THR A 90 -8.820 -2.166 -32.336 1.00 0.00 C ATOM 1414 OG1 THR A 90 -9.993 -2.695 -32.971 1.00 0.00 O ATOM 1415 CG2 THR A 90 -9.172 -1.563 -31.000 1.00 0.00 C ATOM 0 H THR A 90 -10.106 -0.429 -33.592 1.00 0.00 H new ATOM 0 HA THR A 90 -7.416 -0.590 -32.649 1.00 0.00 H new ATOM 0 HB THR A 90 -8.112 -2.979 -32.173 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.403 -3.370 -32.391 1.00 0.00 H new ATOM 0 HG21 THR A 90 -9.632 -2.322 -30.368 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.267 -1.191 -30.519 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.871 -0.739 -31.145 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.346 -2.329 -34.231 1.00 0.00 N ATOM 1424 CA VAL A 91 -5.657 -3.085 -35.273 1.00 0.00 C ATOM 1425 C VAL A 91 -6.547 -4.244 -35.738 1.00 0.00 C ATOM 1426 O VAL A 91 -6.638 -4.543 -36.941 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.310 -3.620 -34.744 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -3.649 -4.568 -35.730 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.372 -2.487 -34.443 1.00 0.00 C ATOM 0 H VAL A 91 -5.835 -2.268 -33.350 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.456 -2.428 -36.119 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.526 -4.172 -33.829 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.704 -4.921 -35.318 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.305 -5.419 -35.913 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.463 -4.045 -36.668 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.428 -2.885 -34.071 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.191 -1.913 -35.352 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.815 -1.839 -33.687 1.00 0.00 H new ATOM 1439 N ASP A 92 -7.241 -4.829 -34.773 1.00 0.00 N ATOM 1440 CA ASP A 92 -8.196 -5.903 -34.979 1.00 0.00 C ATOM 1441 C ASP A 92 -9.249 -5.458 -35.967 1.00 0.00 C ATOM 1442 O ASP A 92 -9.584 -6.189 -36.905 1.00 0.00 O ATOM 1443 CB ASP A 92 -8.903 -6.216 -33.664 1.00 0.00 C ATOM 1444 CG ASP A 92 -7.981 -6.572 -32.537 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -7.298 -5.661 -32.008 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -7.970 -7.739 -32.099 1.00 0.00 O ATOM 0 H ASP A 92 -7.150 -4.559 -33.794 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.665 -6.780 -35.349 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.499 -5.352 -33.371 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.596 -7.042 -33.825 1.00 0.00 H new ATOM 1451 N ASP A 93 -9.724 -4.221 -35.784 1.00 0.00 N ATOM 1452 CA ASP A 93 -10.787 -3.660 -36.623 1.00 0.00 C ATOM 1453 C ASP A 93 -10.264 -3.159 -37.926 1.00 0.00 C ATOM 1454 O ASP A 93 -11.024 -2.812 -38.829 1.00 0.00 O ATOM 1455 CB ASP A 93 -11.550 -2.541 -35.941 1.00 0.00 C ATOM 1456 CG ASP A 93 -13.011 -2.872 -35.802 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -13.793 -2.644 -36.758 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -13.415 -3.370 -34.735 1.00 0.00 O ATOM 0 H ASP A 93 -9.387 -3.588 -35.059 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.473 -4.488 -36.800 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.123 -2.356 -34.955 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -11.438 -1.621 -36.515 1.00 0.00 H new ATOM 1463 N TYR A 94 -8.992 -3.113 -38.044 1.00 0.00 N ATOM 1464 CA TYR A 94 -8.402 -2.658 -39.240 1.00 0.00 C ATOM 1465 C TYR A 94 -8.221 -3.777 -40.228 1.00 0.00 C ATOM 1466 O TYR A 94 -8.757 -3.733 -41.344 1.00 0.00 O ATOM 1467 CB TYR A 94 -7.106 -1.950 -38.960 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.342 -1.536 -40.184 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -6.760 -0.465 -40.960 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -5.189 -2.205 -40.549 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -6.045 -0.073 -42.067 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -4.470 -1.825 -41.659 1.00 0.00 C ATOM 1473 CZ TYR A 94 -4.903 -0.754 -42.415 1.00 0.00 C ATOM 1474 OH TYR A 94 -4.186 -0.353 -43.513 1.00 0.00 O ATOM 0 H TYR A 94 -8.333 -3.389 -37.316 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.082 -1.939 -39.696 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.314 -1.064 -38.361 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.474 -2.602 -38.357 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.660 0.068 -40.691 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.847 -3.039 -39.954 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.379 0.766 -42.660 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.574 -2.360 -41.937 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.406 -0.935 -43.625 1.00 0.00 H new ATOM 1484 N PHE A 95 -7.493 -4.786 -39.821 1.00 0.00 N ATOM 1485 CA PHE A 95 -7.201 -5.918 -40.694 1.00 0.00 C ATOM 1486 C PHE A 95 -8.442 -6.706 -41.086 1.00 0.00 C ATOM 1487 O PHE A 95 -8.454 -7.413 -42.074 1.00 0.00 O ATOM 1488 CB PHE A 95 -6.157 -6.826 -40.098 1.00 0.00 C ATOM 1489 CG PHE A 95 -4.771 -6.255 -40.138 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.216 -5.844 -41.343 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -4.021 -6.117 -38.982 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -2.947 -5.310 -41.388 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -2.749 -5.583 -39.030 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.217 -5.180 -40.231 1.00 0.00 C ATOM 0 H PHE A 95 -7.086 -4.856 -38.888 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.799 -5.488 -41.611 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.423 -7.041 -39.063 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.165 -7.776 -40.633 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.786 -5.944 -42.255 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.435 -6.430 -38.035 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.526 -4.994 -42.331 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.172 -5.482 -38.123 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.223 -4.760 -40.266 1.00 0.00 H new ATOM 1504 N ARG A 96 -9.481 -6.568 -40.308 1.00 0.00 N ATOM 1505 CA ARG A 96 -10.767 -7.183 -40.630 1.00 0.00 C ATOM 1506 C ARG A 96 -11.424 -6.549 -41.864 1.00 0.00 C ATOM 1507 O ARG A 96 -12.420 -7.038 -42.361 1.00 0.00 O ATOM 1508 CB ARG A 96 -11.701 -7.202 -39.404 1.00 0.00 C ATOM 1509 CG ARG A 96 -12.059 -5.844 -38.801 1.00 0.00 C ATOM 1510 CD ARG A 96 -13.193 -5.113 -39.508 1.00 0.00 C ATOM 1511 NE ARG A 96 -14.443 -5.852 -39.449 1.00 0.00 N ATOM 1512 CZ ARG A 96 -15.560 -5.449 -38.817 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -15.542 -4.404 -37.967 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -16.678 -6.135 -38.985 1.00 0.00 N ATOM 0 H ARG A 96 -9.475 -6.034 -39.439 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.572 -8.222 -40.898 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.626 -7.705 -39.687 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.234 -7.808 -38.628 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.333 -5.987 -37.756 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.172 -5.210 -38.815 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.331 -4.132 -39.052 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.921 -4.945 -40.550 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.476 -6.752 -39.927 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.671 -3.903 -37.793 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.400 -4.114 -37.497 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.686 -6.958 -39.587 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -17.533 -5.841 -38.512 1.00 0.00 H new ATOM 1528 N GLN A 97 -10.878 -5.441 -42.319 1.00 0.00 N ATOM 1529 CA GLN A 97 -11.367 -4.801 -43.523 1.00 0.00 C ATOM 1530 C GLN A 97 -10.475 -5.204 -44.673 1.00 0.00 C ATOM 1531 O GLN A 97 -10.942 -5.562 -45.750 1.00 0.00 O ATOM 1532 CB GLN A 97 -11.309 -3.295 -43.381 1.00 0.00 C ATOM 1533 CG GLN A 97 -12.014 -2.762 -42.171 1.00 0.00 C ATOM 1534 CD GLN A 97 -11.801 -1.291 -42.021 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -10.735 -0.957 -41.377 1.00 0.00 O flip ATOM 1536 NE2 GLN A 97 -12.569 -0.477 -42.524 1.00 0.00 N flip ATOM 0 H GLN A 97 -10.094 -4.964 -41.873 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.399 -5.106 -43.697 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.265 -2.985 -43.344 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.745 -2.841 -44.271 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.081 -2.971 -42.248 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.652 -3.276 -41.281 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.398 -0.799 -43.023 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.378 0.522 -42.443 1.00 0.00 H new