USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 548 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 41 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 43 SER OG : rot 180:sc= 0.0166 USER MOD Set 2.1: A 9 GLN : amide:sc= -1.82! K(o=-2.8!,f=-0.93) USER MOD Set 2.2: A 25 THR OG1 : rot 180:sc= -0.935 USER MOD Single : A 11 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.013) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 32 LYS NZ :NH3+ -158:sc= 1.26 (180deg=1.18) USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= 0.439 (180deg=0.0715) USER MOD Single : A 39 LYS NZ :NH3+ 136:sc= -1.36 (180deg=-3.8!) USER MOD Single : A 50 GLN : amide:sc= 0.477 K(o=0.48,f=-1) USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= -0.0696 (180deg=-0.422) USER MOD Single : A 54 SER OG : rot -9:sc= 0.411 USER MOD Single : A 58 GLN : amide:sc= 0.00372 K(o=0.0037,f=-4.2!) USER MOD Single : A 60 GLN : amide:sc= -0.0692 X(o=-0.069,f=-0.51) USER MOD Single : A 61 HIS : no HD1:sc= 0.996 K(o=1.3,f=-5.5!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.212 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= -0.0169 USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 1.13 (180deg=1.06) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.74! K(o=-1.7!,f=-0.37) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N GLN A 9 0.858 13.455 -10.629 1.00 0.00 N ATOM 135 CA GLN A 9 1.038 12.250 -9.826 1.00 0.00 C ATOM 136 C GLN A 9 2.501 11.813 -9.812 1.00 0.00 C ATOM 137 O GLN A 9 3.121 11.666 -10.866 1.00 0.00 O ATOM 138 CB GLN A 9 0.155 11.130 -10.386 1.00 0.00 C ATOM 139 CG GLN A 9 -1.332 11.454 -10.341 1.00 0.00 C ATOM 140 CD GLN A 9 -2.169 10.544 -11.225 1.00 0.00 C ATOM 141 OE1 GLN A 9 -3.213 10.947 -11.739 1.00 0.00 O ATOM 142 NE2 GLN A 9 -1.715 9.317 -11.418 1.00 0.00 N ATOM 0 HA GLN A 9 0.745 12.467 -8.799 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.445 10.930 -11.418 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.338 10.216 -9.821 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.684 11.375 -9.312 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.482 12.488 -10.650 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.846 9.019 -10.975 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.234 8.668 -12.010 1.00 0.00 H new ATOM 151 N ASP A 10 3.046 11.622 -8.617 1.00 0.00 N ATOM 152 CA ASP A 10 4.439 11.209 -8.456 1.00 0.00 C ATOM 153 C ASP A 10 4.643 9.793 -8.971 1.00 0.00 C ATOM 154 O ASP A 10 3.703 8.995 -9.018 1.00 0.00 O ATOM 155 CB ASP A 10 4.859 11.273 -6.983 1.00 0.00 C ATOM 156 CG ASP A 10 4.966 12.686 -6.448 1.00 0.00 C ATOM 157 OD1 ASP A 10 3.914 13.323 -6.224 1.00 0.00 O ATOM 158 OD2 ASP A 10 6.102 13.158 -6.222 1.00 0.00 O ATOM 0 H ASP A 10 2.543 11.747 -7.739 1.00 0.00 H new ATOM 0 HA ASP A 10 5.056 11.896 -9.036 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.137 10.719 -6.383 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.821 10.774 -6.865 1.00 0.00 H new ATOM 163 N ASN A 11 5.870 9.481 -9.355 1.00 0.00 N ATOM 164 CA ASN A 11 6.203 8.140 -9.806 1.00 0.00 C ATOM 165 C ASN A 11 7.026 7.418 -8.754 1.00 0.00 C ATOM 166 O ASN A 11 8.079 7.899 -8.328 1.00 0.00 O ATOM 167 CB ASN A 11 6.963 8.169 -11.135 1.00 0.00 C ATOM 168 CG ASN A 11 6.092 8.574 -12.308 1.00 0.00 C ATOM 169 OD1 ASN A 11 6.007 9.751 -12.662 1.00 0.00 O ATOM 170 ND2 ASN A 11 5.442 7.599 -12.924 1.00 0.00 N ATOM 0 H ASN A 11 6.651 10.137 -9.363 1.00 0.00 H new ATOM 0 HA ASN A 11 5.268 7.602 -9.962 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.799 8.864 -11.054 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.385 7.183 -11.327 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.844 7.810 -13.723 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.539 6.637 -12.600 1.00 0.00 H new ATOM 177 N PHE A 12 6.533 6.268 -8.334 1.00 0.00 N ATOM 178 CA PHE A 12 7.191 5.470 -7.317 1.00 0.00 C ATOM 179 C PHE A 12 7.685 4.167 -7.921 1.00 0.00 C ATOM 180 O PHE A 12 6.956 3.506 -8.662 1.00 0.00 O ATOM 181 CB PHE A 12 6.224 5.156 -6.168 1.00 0.00 C ATOM 182 CG PHE A 12 5.613 6.369 -5.521 1.00 0.00 C ATOM 183 CD1 PHE A 12 4.420 6.898 -5.992 1.00 0.00 C ATOM 184 CD2 PHE A 12 6.227 6.974 -4.438 1.00 0.00 C ATOM 185 CE1 PHE A 12 3.854 8.008 -5.395 1.00 0.00 C ATOM 186 CE2 PHE A 12 5.667 8.086 -3.838 1.00 0.00 C ATOM 187 CZ PHE A 12 4.479 8.603 -4.317 1.00 0.00 C ATOM 0 H PHE A 12 5.667 5.861 -8.687 1.00 0.00 H new ATOM 0 HA PHE A 12 8.035 6.040 -6.928 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.424 4.519 -6.546 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.756 4.583 -5.408 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.928 6.437 -6.835 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.155 6.572 -4.057 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.924 8.410 -5.771 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.158 8.550 -2.995 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.040 9.471 -3.849 1.00 0.00 H new ATOM 197 N VAL A 13 8.917 3.799 -7.618 1.00 0.00 N ATOM 198 CA VAL A 13 9.437 2.517 -8.055 1.00 0.00 C ATOM 199 C VAL A 13 9.110 1.461 -7.015 1.00 0.00 C ATOM 200 O VAL A 13 9.678 1.457 -5.918 1.00 0.00 O ATOM 201 CB VAL A 13 10.960 2.541 -8.301 1.00 0.00 C ATOM 202 CG1 VAL A 13 11.454 1.168 -8.735 1.00 0.00 C ATOM 203 CG2 VAL A 13 11.318 3.577 -9.348 1.00 0.00 C ATOM 0 H VAL A 13 9.571 4.364 -7.076 1.00 0.00 H new ATOM 0 HA VAL A 13 8.961 2.283 -9.007 1.00 0.00 H new ATOM 0 HB VAL A 13 11.449 2.809 -7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.530 1.205 -8.904 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.234 0.439 -7.955 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.952 0.876 -9.657 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.396 3.577 -9.506 1.00 0.00 H new ATOM 0 HG22 VAL A 13 10.814 3.337 -10.284 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.001 4.563 -9.008 1.00 0.00 H new ATOM 213 N VAL A 14 8.168 0.600 -7.346 1.00 0.00 N ATOM 214 CA VAL A 14 7.767 -0.467 -6.453 1.00 0.00 C ATOM 215 C VAL A 14 8.571 -1.725 -6.753 1.00 0.00 C ATOM 216 O VAL A 14 8.473 -2.292 -7.840 1.00 0.00 O ATOM 217 CB VAL A 14 6.258 -0.765 -6.573 1.00 0.00 C ATOM 218 CG1 VAL A 14 5.855 -1.895 -5.640 1.00 0.00 C ATOM 219 CG2 VAL A 14 5.445 0.488 -6.282 1.00 0.00 C ATOM 0 H VAL A 14 7.664 0.620 -8.232 1.00 0.00 H new ATOM 0 HA VAL A 14 7.965 -0.143 -5.431 1.00 0.00 H new ATOM 0 HB VAL A 14 6.051 -1.081 -7.595 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.787 -2.088 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.412 -2.796 -5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.076 -1.613 -4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.383 0.261 -6.371 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.659 0.834 -5.271 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.710 1.268 -6.996 1.00 0.00 H new ATOM 229 N LEU A 15 9.377 -2.143 -5.794 1.00 0.00 N ATOM 230 CA LEU A 15 10.226 -3.308 -5.971 1.00 0.00 C ATOM 231 C LEU A 15 9.505 -4.560 -5.502 1.00 0.00 C ATOM 232 O LEU A 15 9.336 -4.783 -4.302 1.00 0.00 O ATOM 233 CB LEU A 15 11.541 -3.132 -5.213 1.00 0.00 C ATOM 234 CG LEU A 15 12.412 -1.970 -5.692 1.00 0.00 C ATOM 235 CD1 LEU A 15 13.682 -1.880 -4.864 1.00 0.00 C ATOM 236 CD2 LEU A 15 12.750 -2.130 -7.167 1.00 0.00 C ATOM 0 H LEU A 15 9.462 -1.692 -4.883 1.00 0.00 H new ATOM 0 HA LEU A 15 10.453 -3.415 -7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.317 -2.987 -4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.116 -4.055 -5.294 1.00 0.00 H new ATOM 0 HG LEU A 15 11.851 -1.044 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.290 -1.048 -5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.423 -1.720 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.246 -2.808 -4.961 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.370 -1.294 -7.491 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.292 -3.064 -7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.830 -2.147 -7.751 1.00 0.00 H new ATOM 248 N GLU A 16 9.058 -5.359 -6.455 1.00 0.00 N ATOM 249 CA GLU A 16 8.333 -6.573 -6.148 1.00 0.00 C ATOM 250 C GLU A 16 9.201 -7.791 -6.456 1.00 0.00 C ATOM 251 O GLU A 16 10.152 -7.709 -7.235 1.00 0.00 O ATOM 252 CB GLU A 16 7.024 -6.614 -6.938 1.00 0.00 C ATOM 253 CG GLU A 16 5.990 -7.575 -6.375 1.00 0.00 C ATOM 254 CD GLU A 16 4.678 -7.510 -7.125 1.00 0.00 C ATOM 255 OE1 GLU A 16 3.840 -6.644 -6.798 1.00 0.00 O ATOM 256 OE2 GLU A 16 4.479 -8.323 -8.050 1.00 0.00 O ATOM 0 H GLU A 16 9.187 -5.185 -7.452 1.00 0.00 H new ATOM 0 HA GLU A 16 8.089 -6.590 -5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.596 -5.612 -6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.242 -6.895 -7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.381 -8.592 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.817 -7.344 -5.324 1.00 0.00 H new ATOM 354 N PHE A 23 8.485 2.208 -12.773 1.00 0.00 N ATOM 355 CA PHE A 23 7.906 3.164 -11.842 1.00 0.00 C ATOM 356 C PHE A 23 6.454 3.451 -12.201 1.00 0.00 C ATOM 357 O PHE A 23 6.130 3.728 -13.355 1.00 0.00 O ATOM 358 CB PHE A 23 8.727 4.462 -11.815 1.00 0.00 C ATOM 359 CG PHE A 23 9.074 5.009 -13.173 1.00 0.00 C ATOM 360 CD1 PHE A 23 10.191 4.551 -13.851 1.00 0.00 C ATOM 361 CD2 PHE A 23 8.288 5.982 -13.766 1.00 0.00 C ATOM 362 CE1 PHE A 23 10.517 5.051 -15.095 1.00 0.00 C ATOM 363 CE2 PHE A 23 8.609 6.486 -15.012 1.00 0.00 C ATOM 364 CZ PHE A 23 9.725 6.021 -15.676 1.00 0.00 C ATOM 0 HA PHE A 23 7.930 2.726 -10.844 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.169 5.219 -11.264 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.650 4.282 -11.263 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.815 3.793 -13.401 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.414 6.351 -13.249 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.390 4.684 -15.613 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.987 7.243 -15.465 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.979 6.415 -16.649 1.00 0.00 H new ATOM 374 N LEU A 24 5.587 3.370 -11.209 1.00 0.00 N ATOM 375 CA LEU A 24 4.163 3.592 -11.410 1.00 0.00 C ATOM 376 C LEU A 24 3.712 4.830 -10.648 1.00 0.00 C ATOM 377 O LEU A 24 4.434 5.333 -9.788 1.00 0.00 O ATOM 378 CB LEU A 24 3.338 2.358 -10.993 1.00 0.00 C ATOM 379 CG LEU A 24 3.704 1.709 -9.650 1.00 0.00 C ATOM 380 CD1 LEU A 24 2.525 0.918 -9.110 1.00 0.00 C ATOM 381 CD2 LEU A 24 4.902 0.785 -9.807 1.00 0.00 C ATOM 0 H LEU A 24 5.845 3.150 -10.247 1.00 0.00 H new ATOM 0 HA LEU A 24 3.991 3.755 -12.474 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.288 2.647 -10.957 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.435 1.604 -11.774 1.00 0.00 H new ATOM 0 HG LEU A 24 3.960 2.504 -8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.798 0.463 -8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.676 1.585 -8.963 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.254 0.137 -9.821 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.144 0.336 -8.844 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.664 -0.001 -10.524 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.758 1.357 -10.166 1.00 0.00 H new ATOM 393 N THR A 25 2.527 5.327 -10.972 1.00 0.00 N ATOM 394 CA THR A 25 2.039 6.566 -10.388 1.00 0.00 C ATOM 395 C THR A 25 1.412 6.324 -9.018 1.00 0.00 C ATOM 396 O THR A 25 1.210 5.177 -8.612 1.00 0.00 O ATOM 397 CB THR A 25 1.006 7.247 -11.306 1.00 0.00 C ATOM 398 OG1 THR A 25 -0.117 6.379 -11.512 1.00 0.00 O ATOM 399 CG2 THR A 25 1.628 7.611 -12.644 1.00 0.00 C ATOM 0 H THR A 25 1.887 4.891 -11.636 1.00 0.00 H new ATOM 0 HA THR A 25 2.901 7.223 -10.273 1.00 0.00 H new ATOM 0 HB THR A 25 0.669 8.163 -10.820 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.769 6.821 -12.095 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.879 8.090 -13.275 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.460 8.296 -12.484 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.991 6.708 -13.134 1.00 0.00 H new ATOM 407 N THR A 26 1.114 7.412 -8.316 1.00 0.00 N ATOM 408 CA THR A 26 0.471 7.356 -7.010 1.00 0.00 C ATOM 409 C THR A 26 -0.802 6.502 -7.042 1.00 0.00 C ATOM 410 O THR A 26 -1.041 5.692 -6.144 1.00 0.00 O ATOM 411 CB THR A 26 0.120 8.780 -6.540 1.00 0.00 C ATOM 412 OG1 THR A 26 1.219 9.660 -6.815 1.00 0.00 O ATOM 413 CG2 THR A 26 -0.193 8.809 -5.053 1.00 0.00 C ATOM 0 H THR A 26 1.312 8.359 -8.638 1.00 0.00 H new ATOM 0 HA THR A 26 1.172 6.895 -6.314 1.00 0.00 H new ATOM 0 HB THR A 26 -0.767 9.109 -7.082 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.995 10.566 -6.517 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.437 9.828 -4.752 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.042 8.157 -4.847 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.675 8.463 -4.492 1.00 0.00 H new ATOM 421 N ILE A 27 -1.600 6.672 -8.094 1.00 0.00 N ATOM 422 CA ILE A 27 -2.857 5.941 -8.237 1.00 0.00 C ATOM 423 C ILE A 27 -2.610 4.440 -8.377 1.00 0.00 C ATOM 424 O ILE A 27 -3.279 3.630 -7.736 1.00 0.00 O ATOM 425 CB ILE A 27 -3.667 6.446 -9.454 1.00 0.00 C ATOM 426 CG1 ILE A 27 -4.028 7.927 -9.284 1.00 0.00 C ATOM 427 CG2 ILE A 27 -4.927 5.609 -9.650 1.00 0.00 C ATOM 428 CD1 ILE A 27 -4.858 8.220 -8.051 1.00 0.00 C ATOM 0 H ILE A 27 -1.397 7.312 -8.862 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.435 6.122 -7.331 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.045 6.342 -10.343 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.109 8.512 -9.239 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.575 8.261 -10.166 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.481 5.982 -10.511 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.650 4.569 -9.820 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.552 5.678 -8.759 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.072 9.288 -8.002 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.794 7.664 -8.102 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.306 7.919 -7.161 1.00 0.00 H new ATOM 440 N GLU A 28 -1.631 4.078 -9.198 1.00 0.00 N ATOM 441 CA GLU A 28 -1.317 2.675 -9.440 1.00 0.00 C ATOM 442 C GLU A 28 -0.776 2.028 -8.170 1.00 0.00 C ATOM 443 O GLU A 28 -1.084 0.872 -7.865 1.00 0.00 O ATOM 444 CB GLU A 28 -0.299 2.550 -10.574 1.00 0.00 C ATOM 445 CG GLU A 28 -0.724 3.253 -11.855 1.00 0.00 C ATOM 446 CD GLU A 28 -1.941 2.626 -12.505 1.00 0.00 C ATOM 447 OE1 GLU A 28 -2.990 2.509 -11.842 1.00 0.00 O ATOM 448 OE2 GLU A 28 -1.855 2.262 -13.696 1.00 0.00 O ATOM 0 H GLU A 28 -1.041 4.736 -9.707 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.231 2.157 -9.732 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.654 2.962 -10.242 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.133 1.494 -10.787 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.936 4.299 -11.634 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.105 3.239 -12.562 1.00 0.00 H new ATOM 455 N LEU A 29 0.023 2.788 -7.431 1.00 0.00 N ATOM 456 CA LEU A 29 0.558 2.329 -6.156 1.00 0.00 C ATOM 457 C LEU A 29 -0.576 2.078 -5.169 1.00 0.00 C ATOM 458 O LEU A 29 -0.573 1.083 -4.444 1.00 0.00 O ATOM 459 CB LEU A 29 1.539 3.360 -5.596 1.00 0.00 C ATOM 460 CG LEU A 29 2.118 3.044 -4.217 1.00 0.00 C ATOM 461 CD1 LEU A 29 2.858 1.714 -4.227 1.00 0.00 C ATOM 462 CD2 LEU A 29 3.039 4.166 -3.771 1.00 0.00 C ATOM 0 H LEU A 29 0.315 3.729 -7.695 1.00 0.00 H new ATOM 0 HA LEU A 29 1.092 1.392 -6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.364 3.469 -6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.034 4.325 -5.545 1.00 0.00 H new ATOM 0 HG LEU A 29 1.295 2.961 -3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.260 1.514 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.170 0.917 -4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.675 1.758 -4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.447 3.933 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.855 4.273 -4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.477 5.099 -3.719 1.00 0.00 H new ATOM 474 N LEU A 30 -1.551 2.985 -5.164 1.00 0.00 N ATOM 475 CA LEU A 30 -2.741 2.838 -4.339 1.00 0.00 C ATOM 476 C LEU A 30 -3.416 1.498 -4.590 1.00 0.00 C ATOM 477 O LEU A 30 -3.691 0.752 -3.656 1.00 0.00 O ATOM 478 CB LEU A 30 -3.735 3.972 -4.616 1.00 0.00 C ATOM 479 CG LEU A 30 -3.427 5.298 -3.924 1.00 0.00 C ATOM 480 CD1 LEU A 30 -4.373 6.384 -4.414 1.00 0.00 C ATOM 481 CD2 LEU A 30 -3.544 5.137 -2.421 1.00 0.00 C ATOM 0 H LEU A 30 -1.536 3.835 -5.728 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.427 2.884 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.773 4.144 -5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.728 3.644 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.407 5.593 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.141 7.323 -3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.256 6.510 -5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.401 6.098 -4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.323 6.087 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.557 4.826 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.836 4.382 -2.080 1.00 0.00 H new ATOM 493 N GLU A 31 -3.650 1.192 -5.858 1.00 0.00 N ATOM 494 CA GLU A 31 -4.357 -0.026 -6.234 1.00 0.00 C ATOM 495 C GLU A 31 -3.578 -1.271 -5.814 1.00 0.00 C ATOM 496 O GLU A 31 -4.167 -2.245 -5.349 1.00 0.00 O ATOM 497 CB GLU A 31 -4.617 -0.034 -7.739 1.00 0.00 C ATOM 498 CG GLU A 31 -5.409 1.174 -8.210 1.00 0.00 C ATOM 499 CD GLU A 31 -6.791 1.254 -7.590 1.00 0.00 C ATOM 500 OE1 GLU A 31 -6.899 1.638 -6.409 1.00 0.00 O ATOM 501 OE2 GLU A 31 -7.780 0.951 -8.289 1.00 0.00 O ATOM 0 H GLU A 31 -3.360 1.771 -6.646 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.313 -0.044 -5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.664 -0.065 -8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.158 -0.942 -8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.855 2.081 -7.969 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.505 1.138 -9.295 1.00 0.00 H new ATOM 508 N LYS A 32 -2.256 -1.235 -5.959 1.00 0.00 N ATOM 509 CA LYS A 32 -1.426 -2.345 -5.507 1.00 0.00 C ATOM 510 C LYS A 32 -1.531 -2.522 -3.996 1.00 0.00 C ATOM 511 O LYS A 32 -1.750 -3.629 -3.507 1.00 0.00 O ATOM 512 CB LYS A 32 0.042 -2.154 -5.895 1.00 0.00 C ATOM 513 CG LYS A 32 0.404 -2.745 -7.250 1.00 0.00 C ATOM 514 CD LYS A 32 1.887 -3.080 -7.323 1.00 0.00 C ATOM 515 CE LYS A 32 2.212 -3.893 -8.565 1.00 0.00 C ATOM 516 NZ LYS A 32 3.564 -4.508 -8.495 1.00 0.00 N ATOM 0 H LYS A 32 -1.743 -0.460 -6.380 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.799 -3.240 -6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.270 -1.088 -5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.672 -2.610 -5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.185 -3.645 -7.426 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.149 -2.037 -8.039 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.470 -2.159 -7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.179 -3.639 -6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.464 -4.676 -8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.152 -3.251 -9.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.897 -4.725 -9.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.224 -3.845 -8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.518 -5.385 -7.939 1.00 0.00 H new ATOM 530 N LEU A 33 -1.377 -1.423 -3.265 1.00 0.00 N ATOM 531 CA LEU A 33 -1.464 -1.452 -1.809 1.00 0.00 C ATOM 532 C LEU A 33 -2.842 -1.917 -1.360 1.00 0.00 C ATOM 533 O LEU A 33 -2.956 -2.793 -0.514 1.00 0.00 O ATOM 534 CB LEU A 33 -1.160 -0.070 -1.225 1.00 0.00 C ATOM 535 CG LEU A 33 0.297 0.381 -1.345 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.449 1.812 -0.859 1.00 0.00 C ATOM 537 CD2 LEU A 33 1.208 -0.545 -0.552 1.00 0.00 C ATOM 0 H LEU A 33 -1.191 -0.500 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.722 -2.160 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.793 0.665 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.438 -0.069 -0.171 1.00 0.00 H new ATOM 0 HG LEU A 33 0.587 0.337 -2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.491 2.119 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.177 2.470 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.142 1.876 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.241 -0.210 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.918 -0.529 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.119 -1.561 -0.937 1.00 0.00 H new ATOM 549 N LYS A 34 -3.879 -1.337 -1.954 1.00 0.00 N ATOM 550 CA LYS A 34 -5.259 -1.658 -1.606 1.00 0.00 C ATOM 551 C LYS A 34 -5.568 -3.137 -1.834 1.00 0.00 C ATOM 552 O LYS A 34 -6.207 -3.770 -0.998 1.00 0.00 O ATOM 553 CB LYS A 34 -6.218 -0.773 -2.408 1.00 0.00 C ATOM 554 CG LYS A 34 -6.291 0.654 -1.884 1.00 0.00 C ATOM 555 CD LYS A 34 -6.714 1.660 -2.951 1.00 0.00 C ATOM 556 CE LYS A 34 -8.138 1.446 -3.448 1.00 0.00 C ATOM 557 NZ LYS A 34 -8.239 0.367 -4.465 1.00 0.00 N ATOM 0 H LYS A 34 -3.788 -0.634 -2.687 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.396 -1.460 -0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.901 -0.755 -3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.215 -1.214 -2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.996 0.695 -1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.316 0.940 -1.488 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.625 2.668 -2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.028 1.594 -3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.780 1.202 -2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.512 2.377 -3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.157 0.431 -4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.473 0.473 -5.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.157 -0.559 -3.998 1.00 0.00 H new ATOM 571 N GLY A 35 -5.096 -3.684 -2.949 1.00 0.00 N ATOM 572 CA GLY A 35 -5.337 -5.087 -3.250 1.00 0.00 C ATOM 573 C GLY A 35 -4.734 -6.017 -2.213 1.00 0.00 C ATOM 574 O GLY A 35 -5.418 -6.889 -1.664 1.00 0.00 O ATOM 0 H GLY A 35 -4.551 -3.183 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.411 -5.263 -3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.920 -5.322 -4.230 1.00 0.00 H new ATOM 578 N GLU A 36 -3.458 -5.817 -1.920 1.00 0.00 N ATOM 579 CA GLU A 36 -2.773 -6.652 -0.948 1.00 0.00 C ATOM 580 C GLU A 36 -3.320 -6.390 0.451 1.00 0.00 C ATOM 581 O GLU A 36 -3.440 -7.302 1.261 1.00 0.00 O ATOM 582 CB GLU A 36 -1.264 -6.397 -0.976 1.00 0.00 C ATOM 583 CG GLU A 36 -0.606 -6.717 -2.310 1.00 0.00 C ATOM 584 CD GLU A 36 -0.742 -8.177 -2.703 1.00 0.00 C ATOM 585 OE1 GLU A 36 0.009 -9.020 -2.164 1.00 0.00 O ATOM 586 OE2 GLU A 36 -1.589 -8.486 -3.562 1.00 0.00 O ATOM 0 H GLU A 36 -2.880 -5.088 -2.339 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.951 -7.695 -1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.078 -5.351 -0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.791 -6.994 -0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.050 -6.094 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.451 -6.457 -2.259 1.00 0.00 H new ATOM 593 N LEU A 37 -3.669 -5.140 0.715 1.00 0.00 N ATOM 594 CA LEU A 37 -4.162 -4.734 2.024 1.00 0.00 C ATOM 595 C LEU A 37 -5.521 -5.359 2.329 1.00 0.00 C ATOM 596 O LEU A 37 -5.774 -5.781 3.456 1.00 0.00 O ATOM 597 CB LEU A 37 -4.250 -3.210 2.091 1.00 0.00 C ATOM 598 CG LEU A 37 -4.611 -2.619 3.452 1.00 0.00 C ATOM 599 CD1 LEU A 37 -3.633 -3.087 4.516 1.00 0.00 C ATOM 600 CD2 LEU A 37 -4.618 -1.102 3.376 1.00 0.00 C ATOM 0 H LEU A 37 -3.619 -4.383 0.034 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.460 -5.090 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.290 -2.797 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.991 -2.876 1.364 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.608 -2.965 3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.908 -2.655 5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.663 -4.174 4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.625 -2.768 4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.877 -0.690 4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.630 -0.748 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.353 -0.778 2.639 1.00 0.00 H new ATOM 612 N GLU A 38 -6.391 -5.437 1.325 1.00 0.00 N ATOM 613 CA GLU A 38 -7.716 -6.008 1.532 1.00 0.00 C ATOM 614 C GLU A 38 -7.639 -7.521 1.702 1.00 0.00 C ATOM 615 O GLU A 38 -8.476 -8.116 2.381 1.00 0.00 O ATOM 616 CB GLU A 38 -8.672 -5.642 0.392 1.00 0.00 C ATOM 617 CG GLU A 38 -8.251 -6.161 -0.973 1.00 0.00 C ATOM 618 CD GLU A 38 -9.245 -5.825 -2.064 1.00 0.00 C ATOM 619 OE1 GLU A 38 -9.137 -4.740 -2.671 1.00 0.00 O ATOM 620 OE2 GLU A 38 -10.135 -6.659 -2.334 1.00 0.00 O ATOM 0 H GLU A 38 -6.205 -5.117 0.374 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.114 -5.579 2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.663 -6.032 0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.760 -4.557 0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.279 -5.741 -1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.127 -7.243 -0.922 1.00 0.00 H new ATOM 627 N LYS A 39 -6.632 -8.150 1.096 1.00 0.00 N ATOM 628 CA LYS A 39 -6.440 -9.586 1.274 1.00 0.00 C ATOM 629 C LYS A 39 -5.573 -9.872 2.502 1.00 0.00 C ATOM 630 O LYS A 39 -5.246 -11.026 2.791 1.00 0.00 O ATOM 631 CB LYS A 39 -5.840 -10.227 0.017 1.00 0.00 C ATOM 632 CG LYS A 39 -4.420 -9.794 -0.302 1.00 0.00 C ATOM 633 CD LYS A 39 -3.927 -10.372 -1.629 1.00 0.00 C ATOM 634 CE LYS A 39 -3.682 -11.879 -1.574 1.00 0.00 C ATOM 635 NZ LYS A 39 -4.941 -12.674 -1.553 1.00 0.00 N ATOM 0 H LYS A 39 -5.949 -7.697 0.489 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.419 -10.035 1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.857 -11.310 0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.477 -9.989 -0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.374 -8.706 -0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.755 -10.113 0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.660 -10.158 -2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.003 -9.870 -1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.086 -12.176 -2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.096 -12.114 -0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.854 -13.479 -2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.113 -13.026 -0.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.736 -12.073 -1.849 1.00 0.00 H new ATOM 649 N ILE A 40 -5.206 -8.812 3.215 1.00 0.00 N ATOM 650 CA ILE A 40 -4.508 -8.931 4.491 1.00 0.00 C ATOM 651 C ILE A 40 -5.540 -8.904 5.628 1.00 0.00 C ATOM 652 O ILE A 40 -6.559 -8.216 5.526 1.00 0.00 O ATOM 653 CB ILE A 40 -3.451 -7.793 4.668 1.00 0.00 C ATOM 654 CG1 ILE A 40 -2.023 -8.351 4.620 1.00 0.00 C ATOM 655 CG2 ILE A 40 -3.654 -7.007 5.957 1.00 0.00 C ATOM 656 CD1 ILE A 40 -1.519 -8.660 3.227 1.00 0.00 C ATOM 0 H ILE A 40 -5.383 -7.850 2.926 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.966 -9.876 4.515 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.596 -7.108 3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.349 -7.632 5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.981 -9.261 5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.894 -6.229 6.032 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.643 -6.549 5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.570 -7.680 6.810 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.503 -9.050 3.286 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.166 -9.404 2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.524 -7.749 2.628 1.00 0.00 H new ATOM 668 N SER A 41 -5.292 -9.671 6.688 1.00 0.00 N ATOM 669 CA SER A 41 -6.216 -9.744 7.817 1.00 0.00 C ATOM 670 C SER A 41 -6.333 -8.384 8.511 1.00 0.00 C ATOM 671 O SER A 41 -5.367 -7.622 8.578 1.00 0.00 O ATOM 672 CB SER A 41 -5.751 -10.813 8.815 1.00 0.00 C ATOM 673 OG SER A 41 -6.696 -10.993 9.860 1.00 0.00 O ATOM 0 H SER A 41 -4.459 -10.251 6.788 1.00 0.00 H new ATOM 0 HA SER A 41 -7.200 -10.021 7.438 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.599 -11.758 8.294 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.789 -10.524 9.238 1.00 0.00 H new ATOM 0 HG SER A 41 -6.373 -11.681 10.479 1.00 0.00 H new ATOM 679 N PHE A 42 -7.513 -8.098 9.050 1.00 0.00 N ATOM 680 CA PHE A 42 -7.802 -6.795 9.643 1.00 0.00 C ATOM 681 C PHE A 42 -7.013 -6.578 10.931 1.00 0.00 C ATOM 682 O PHE A 42 -6.821 -5.442 11.365 1.00 0.00 O ATOM 683 CB PHE A 42 -9.302 -6.660 9.913 1.00 0.00 C ATOM 684 CG PHE A 42 -10.144 -6.762 8.672 1.00 0.00 C ATOM 685 CD1 PHE A 42 -10.618 -7.991 8.234 1.00 0.00 C ATOM 686 CD2 PHE A 42 -10.462 -5.629 7.940 1.00 0.00 C ATOM 687 CE1 PHE A 42 -11.389 -8.085 7.093 1.00 0.00 C ATOM 688 CE2 PHE A 42 -11.233 -5.718 6.797 1.00 0.00 C ATOM 689 CZ PHE A 42 -11.697 -6.947 6.372 1.00 0.00 C ATOM 0 H PHE A 42 -8.291 -8.756 9.089 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.495 -6.029 8.931 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.608 -7.435 10.616 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.492 -5.701 10.394 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.381 -8.884 8.793 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.103 -4.664 8.267 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.751 -9.048 6.764 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.473 -4.827 6.236 1.00 0.00 H new ATOM 0 HZ PHE A 42 -12.299 -7.019 5.478 1.00 0.00 H new ATOM 699 N SER A 43 -6.578 -7.666 11.545 1.00 0.00 N ATOM 700 CA SER A 43 -5.744 -7.587 12.736 1.00 0.00 C ATOM 701 C SER A 43 -4.265 -7.700 12.370 1.00 0.00 C ATOM 702 O SER A 43 -3.385 -7.541 13.217 1.00 0.00 O ATOM 703 CB SER A 43 -6.144 -8.686 13.719 1.00 0.00 C ATOM 704 OG SER A 43 -6.289 -9.930 13.051 1.00 0.00 O ATOM 0 H SER A 43 -6.788 -8.616 11.239 1.00 0.00 H new ATOM 0 HA SER A 43 -5.897 -6.617 13.210 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.389 -8.773 14.501 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.081 -8.419 14.208 1.00 0.00 H new ATOM 0 HG SER A 43 -6.544 -10.621 13.698 1.00 0.00 H new ATOM 710 N ASP A 44 -4.001 -7.970 11.096 1.00 0.00 N ATOM 711 CA ASP A 44 -2.636 -8.129 10.602 1.00 0.00 C ATOM 712 C ASP A 44 -2.097 -6.790 10.107 1.00 0.00 C ATOM 713 O ASP A 44 -0.887 -6.556 10.094 1.00 0.00 O ATOM 714 CB ASP A 44 -2.607 -9.176 9.479 1.00 0.00 C ATOM 715 CG ASP A 44 -1.210 -9.481 8.967 1.00 0.00 C ATOM 716 OD1 ASP A 44 -0.430 -10.128 9.694 1.00 0.00 O ATOM 717 OD2 ASP A 44 -0.892 -9.100 7.821 1.00 0.00 O ATOM 0 H ASP A 44 -4.720 -8.084 10.381 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.998 -8.474 11.416 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.061 -10.098 9.842 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.220 -8.824 8.649 1.00 0.00 H new ATOM 722 N LEU A 45 -3.011 -5.908 9.718 1.00 0.00 N ATOM 723 CA LEU A 45 -2.650 -4.570 9.268 1.00 0.00 C ATOM 724 C LEU A 45 -2.592 -3.597 10.450 1.00 0.00 C ATOM 725 O LEU A 45 -3.285 -3.786 11.452 1.00 0.00 O ATOM 726 CB LEU A 45 -3.635 -4.091 8.185 1.00 0.00 C ATOM 727 CG LEU A 45 -5.128 -4.226 8.516 1.00 0.00 C ATOM 728 CD1 LEU A 45 -5.615 -3.060 9.358 1.00 0.00 C ATOM 729 CD2 LEU A 45 -5.948 -4.336 7.240 1.00 0.00 C ATOM 0 H LEU A 45 -4.013 -6.098 9.706 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.654 -4.603 8.826 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.425 -3.043 7.971 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.436 -4.649 7.270 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.259 -5.138 9.098 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.676 -3.186 9.575 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.055 -3.027 10.292 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.464 -2.129 8.812 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.004 -4.431 7.493 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.799 -3.442 6.634 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.629 -5.213 6.677 1.00 0.00 H new ATOM 741 N PRO A 46 -1.750 -2.550 10.346 1.00 0.00 N ATOM 742 CA PRO A 46 -1.545 -1.565 11.420 1.00 0.00 C ATOM 743 C PRO A 46 -2.838 -0.895 11.892 1.00 0.00 C ATOM 744 O PRO A 46 -3.816 -0.796 11.145 1.00 0.00 O ATOM 745 CB PRO A 46 -0.623 -0.522 10.782 1.00 0.00 C ATOM 746 CG PRO A 46 0.075 -1.248 9.687 1.00 0.00 C ATOM 747 CD PRO A 46 -0.907 -2.261 9.170 1.00 0.00 C ATOM 0 HA PRO A 46 -1.139 -2.043 12.311 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.191 0.324 10.396 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.086 -0.125 11.508 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.380 -0.562 8.897 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.979 -1.733 10.055 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.495 -1.865 8.342 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.405 -3.157 8.805 1.00 0.00 H new ATOM 755 N LEU A 47 -2.812 -0.410 13.132 1.00 0.00 N ATOM 756 CA LEU A 47 -3.970 0.220 13.764 1.00 0.00 C ATOM 757 C LEU A 47 -4.430 1.445 12.977 1.00 0.00 C ATOM 758 O LEU A 47 -5.613 1.777 12.969 1.00 0.00 O ATOM 759 CB LEU A 47 -3.626 0.624 15.201 1.00 0.00 C ATOM 760 CG LEU A 47 -4.777 1.231 16.008 1.00 0.00 C ATOM 761 CD1 LEU A 47 -5.904 0.226 16.170 1.00 0.00 C ATOM 762 CD2 LEU A 47 -4.279 1.703 17.362 1.00 0.00 C ATOM 0 H LEU A 47 -1.985 -0.443 13.728 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.785 -0.504 13.775 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.259 -0.256 15.729 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.807 1.343 15.172 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.166 2.092 15.465 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.713 0.676 16.746 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.276 -0.065 15.188 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.533 -0.656 16.693 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.108 2.132 17.925 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.866 0.858 17.912 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.506 2.458 17.222 1.00 0.00 H new ATOM 774 N GLU A 48 -3.486 2.106 12.318 1.00 0.00 N ATOM 775 CA GLU A 48 -3.792 3.246 11.455 1.00 0.00 C ATOM 776 C GLU A 48 -4.871 2.875 10.442 1.00 0.00 C ATOM 777 O GLU A 48 -5.846 3.606 10.243 1.00 0.00 O ATOM 778 CB GLU A 48 -2.530 3.681 10.708 1.00 0.00 C ATOM 779 CG GLU A 48 -1.422 4.187 11.612 1.00 0.00 C ATOM 780 CD GLU A 48 -1.728 5.550 12.188 1.00 0.00 C ATOM 781 OE1 GLU A 48 -2.386 5.621 13.248 1.00 0.00 O ATOM 782 OE2 GLU A 48 -1.309 6.559 11.579 1.00 0.00 O ATOM 0 H GLU A 48 -2.494 1.872 12.364 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.154 4.064 12.078 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.155 2.838 10.128 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.792 4.465 9.998 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.268 3.478 12.425 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.490 4.234 11.049 1.00 0.00 H new ATOM 789 N LEU A 49 -4.704 1.710 9.838 1.00 0.00 N ATOM 790 CA LEU A 49 -5.592 1.256 8.780 1.00 0.00 C ATOM 791 C LEU A 49 -6.862 0.667 9.381 1.00 0.00 C ATOM 792 O LEU A 49 -7.855 0.460 8.692 1.00 0.00 O ATOM 793 CB LEU A 49 -4.872 0.223 7.912 1.00 0.00 C ATOM 794 CG LEU A 49 -3.443 0.605 7.510 1.00 0.00 C ATOM 795 CD1 LEU A 49 -2.829 -0.464 6.629 1.00 0.00 C ATOM 796 CD2 LEU A 49 -3.418 1.953 6.807 1.00 0.00 C ATOM 0 H LEU A 49 -3.955 1.056 10.065 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.872 2.103 8.154 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.842 -0.725 8.449 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.457 0.058 7.007 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.848 0.684 8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.815 -0.172 6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.801 -1.410 7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.429 -0.580 5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.393 2.201 6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.033 1.906 5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.810 2.719 7.476 1.00 0.00 H new ATOM 808 N GLN A 50 -6.817 0.404 10.680 1.00 0.00 N ATOM 809 CA GLN A 50 -7.980 -0.082 11.406 1.00 0.00 C ATOM 810 C GLN A 50 -8.897 1.083 11.753 1.00 0.00 C ATOM 811 O GLN A 50 -10.110 0.917 11.892 1.00 0.00 O ATOM 812 CB GLN A 50 -7.553 -0.813 12.680 1.00 0.00 C ATOM 813 CG GLN A 50 -6.684 -2.030 12.414 1.00 0.00 C ATOM 814 CD GLN A 50 -6.224 -2.721 13.681 1.00 0.00 C ATOM 815 OE1 GLN A 50 -6.906 -2.695 14.704 1.00 0.00 O ATOM 816 NE2 GLN A 50 -5.060 -3.351 13.620 1.00 0.00 N ATOM 0 H GLN A 50 -5.982 0.520 11.254 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.519 -0.785 10.771 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.009 -0.121 13.322 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.443 -1.124 13.228 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.241 -2.740 11.802 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.811 -1.726 11.836 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.524 -3.349 12.752 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.700 -3.838 14.441 1.00 0.00 H new ATOM 825 N LYS A 51 -8.308 2.267 11.889 1.00 0.00 N ATOM 826 CA LYS A 51 -9.074 3.471 12.177 1.00 0.00 C ATOM 827 C LYS A 51 -9.740 3.978 10.906 1.00 0.00 C ATOM 828 O LYS A 51 -10.865 4.485 10.937 1.00 0.00 O ATOM 829 CB LYS A 51 -8.161 4.568 12.732 1.00 0.00 C ATOM 830 CG LYS A 51 -7.417 4.188 14.002 1.00 0.00 C ATOM 831 CD LYS A 51 -8.364 3.962 15.166 1.00 0.00 C ATOM 832 CE LYS A 51 -7.604 3.702 16.455 1.00 0.00 C ATOM 833 NZ LYS A 51 -6.714 4.837 16.814 1.00 0.00 N ATOM 0 H LYS A 51 -7.303 2.417 11.804 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.833 3.225 12.920 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.433 4.838 11.967 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.761 5.456 12.930 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.836 3.283 13.825 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.709 4.976 14.258 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.006 4.834 15.290 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.015 3.115 14.948 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.312 3.526 17.265 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.010 2.794 16.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.453 4.769 17.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.854 4.802 16.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.211 5.735 16.645 1.00 0.00 H new ATOM 847 N LEU A 52 -9.042 3.825 9.789 1.00 0.00 N ATOM 848 CA LEU A 52 -9.547 4.284 8.505 1.00 0.00 C ATOM 849 C LEU A 52 -10.585 3.321 7.950 1.00 0.00 C ATOM 850 O LEU A 52 -10.269 2.188 7.585 1.00 0.00 O ATOM 851 CB LEU A 52 -8.396 4.453 7.516 1.00 0.00 C ATOM 852 CG LEU A 52 -7.310 5.431 7.965 1.00 0.00 C ATOM 853 CD1 LEU A 52 -6.137 5.407 7.002 1.00 0.00 C ATOM 854 CD2 LEU A 52 -7.878 6.838 8.074 1.00 0.00 C ATOM 0 H LEU A 52 -8.123 3.385 9.748 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.029 5.250 8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.939 3.479 7.340 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.800 4.792 6.562 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.953 5.122 8.948 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.375 6.110 7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.715 4.403 6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.478 5.691 6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.093 7.523 8.395 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.260 7.152 7.103 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.688 6.848 8.803 1.00 0.00 H new ATOM 866 N ASP A 53 -11.823 3.791 7.885 1.00 0.00 N ATOM 867 CA ASP A 53 -12.941 2.982 7.402 1.00 0.00 C ATOM 868 C ASP A 53 -12.713 2.517 5.973 1.00 0.00 C ATOM 869 O ASP A 53 -12.953 1.357 5.636 1.00 0.00 O ATOM 870 CB ASP A 53 -14.243 3.791 7.466 1.00 0.00 C ATOM 871 CG ASP A 53 -15.358 3.183 6.631 1.00 0.00 C ATOM 872 OD1 ASP A 53 -15.470 3.537 5.433 1.00 0.00 O ATOM 873 OD2 ASP A 53 -16.126 2.351 7.162 1.00 0.00 O ATOM 0 H ASP A 53 -12.083 4.737 8.163 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.016 2.105 8.045 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.570 3.862 8.503 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.051 4.807 7.122 1.00 0.00 H new ATOM 878 N SER A 54 -12.233 3.424 5.144 1.00 0.00 N ATOM 879 CA SER A 54 -12.168 3.186 3.717 1.00 0.00 C ATOM 880 C SER A 54 -10.790 2.684 3.295 1.00 0.00 C ATOM 881 O SER A 54 -9.769 3.306 3.594 1.00 0.00 O ATOM 882 CB SER A 54 -12.536 4.472 2.978 1.00 0.00 C ATOM 883 OG SER A 54 -13.781 4.978 3.450 1.00 0.00 O ATOM 0 H SER A 54 -11.881 4.336 5.437 1.00 0.00 H new ATOM 0 HA SER A 54 -12.881 2.404 3.457 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.755 5.218 3.123 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.598 4.278 1.907 1.00 0.00 H new ATOM 0 HG SER A 54 -14.198 4.319 4.043 1.00 0.00 H new ATOM 889 N LEU A 55 -10.784 1.547 2.602 1.00 0.00 N ATOM 890 CA LEU A 55 -9.558 0.929 2.095 1.00 0.00 C ATOM 891 C LEU A 55 -8.696 1.914 1.279 1.00 0.00 C ATOM 892 O LEU A 55 -7.484 1.982 1.492 1.00 0.00 O ATOM 893 CB LEU A 55 -9.906 -0.300 1.249 1.00 0.00 C ATOM 894 CG LEU A 55 -8.711 -1.096 0.723 1.00 0.00 C ATOM 895 CD1 LEU A 55 -7.938 -1.719 1.875 1.00 0.00 C ATOM 896 CD2 LEU A 55 -9.177 -2.167 -0.249 1.00 0.00 C ATOM 0 H LEU A 55 -11.631 1.026 2.375 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.964 0.625 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.530 -0.966 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.507 0.024 0.399 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.046 -0.414 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.091 -2.282 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.576 -0.933 2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.592 -2.390 2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.316 -2.726 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.861 -2.847 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.689 -1.698 -1.089 1.00 0.00 H new ATOM 908 N PRO A 56 -9.285 2.685 0.325 1.00 0.00 N ATOM 909 CA PRO A 56 -8.540 3.697 -0.438 1.00 0.00 C ATOM 910 C PRO A 56 -7.797 4.683 0.463 1.00 0.00 C ATOM 911 O PRO A 56 -6.689 5.114 0.143 1.00 0.00 O ATOM 912 CB PRO A 56 -9.621 4.423 -1.257 1.00 0.00 C ATOM 913 CG PRO A 56 -10.925 3.980 -0.688 1.00 0.00 C ATOM 914 CD PRO A 56 -10.687 2.612 -0.123 1.00 0.00 C ATOM 0 HA PRO A 56 -7.766 3.239 -1.054 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.508 5.505 -1.182 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.548 4.168 -2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.267 4.668 0.086 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.698 3.956 -1.456 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.365 2.391 0.702 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.833 1.834 -0.872 1.00 0.00 H new ATOM 922 N ALA A 57 -8.401 5.016 1.598 1.00 0.00 N ATOM 923 CA ALA A 57 -7.801 5.948 2.543 1.00 0.00 C ATOM 924 C ALA A 57 -6.644 5.291 3.288 1.00 0.00 C ATOM 925 O ALA A 57 -5.638 5.935 3.582 1.00 0.00 O ATOM 926 CB ALA A 57 -8.847 6.454 3.526 1.00 0.00 C ATOM 0 H ALA A 57 -9.309 4.652 1.886 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.409 6.798 1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.383 7.149 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.642 6.964 2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.267 5.612 4.076 1.00 0.00 H new ATOM 932 N GLN A 58 -6.796 4.001 3.582 1.00 0.00 N ATOM 933 CA GLN A 58 -5.758 3.238 4.270 1.00 0.00 C ATOM 934 C GLN A 58 -4.453 3.271 3.479 1.00 0.00 C ATOM 935 O GLN A 58 -3.410 3.686 3.994 1.00 0.00 O ATOM 936 CB GLN A 58 -6.209 1.787 4.480 1.00 0.00 C ATOM 937 CG GLN A 58 -7.398 1.641 5.416 1.00 0.00 C ATOM 938 CD GLN A 58 -7.929 0.220 5.467 1.00 0.00 C ATOM 939 OE1 GLN A 58 -7.194 -0.740 5.247 1.00 0.00 O ATOM 940 NE2 GLN A 58 -9.204 0.076 5.781 1.00 0.00 N ATOM 0 H GLN A 58 -7.631 3.462 3.353 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.587 3.697 5.244 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.464 1.353 3.513 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.373 1.211 4.877 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.107 1.952 6.419 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.195 2.311 5.093 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.782 0.898 5.957 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.611 -0.857 5.848 1.00 0.00 H new ATOM 949 N ALA A 59 -4.527 2.870 2.216 1.00 0.00 N ATOM 950 CA ALA A 59 -3.355 2.843 1.349 1.00 0.00 C ATOM 951 C ALA A 59 -2.842 4.256 1.074 1.00 0.00 C ATOM 952 O ALA A 59 -1.649 4.463 0.855 1.00 0.00 O ATOM 953 CB ALA A 59 -3.674 2.130 0.044 1.00 0.00 C ATOM 0 H ALA A 59 -5.389 2.558 1.768 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.568 2.292 1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.788 2.119 -0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.982 1.106 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.481 2.653 -0.469 1.00 0.00 H new ATOM 959 N GLN A 60 -3.746 5.230 1.098 1.00 0.00 N ATOM 960 CA GLN A 60 -3.373 6.619 0.868 1.00 0.00 C ATOM 961 C GLN A 60 -2.525 7.138 2.026 1.00 0.00 C ATOM 962 O GLN A 60 -1.543 7.850 1.816 1.00 0.00 O ATOM 963 CB GLN A 60 -4.622 7.487 0.691 1.00 0.00 C ATOM 964 CG GLN A 60 -4.328 8.925 0.292 1.00 0.00 C ATOM 965 CD GLN A 60 -3.540 9.030 -1.001 1.00 0.00 C ATOM 966 OE1 GLN A 60 -4.111 9.077 -2.091 1.00 0.00 O ATOM 967 NE2 GLN A 60 -2.222 9.078 -0.890 1.00 0.00 N ATOM 0 H GLN A 60 -4.740 5.083 1.274 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.783 6.672 -0.047 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.261 7.034 -0.067 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.186 7.488 1.624 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.268 9.466 0.184 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.770 9.412 1.092 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.786 9.036 0.031 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.642 9.157 -1.726 1.00 0.00 H new ATOM 976 N HIS A 61 -2.899 6.764 3.247 1.00 0.00 N ATOM 977 CA HIS A 61 -2.146 7.160 4.431 1.00 0.00 C ATOM 978 C HIS A 61 -0.788 6.466 4.456 1.00 0.00 C ATOM 979 O HIS A 61 0.167 6.984 5.032 1.00 0.00 O ATOM 980 CB HIS A 61 -2.939 6.856 5.708 1.00 0.00 C ATOM 981 CG HIS A 61 -2.221 7.198 6.983 1.00 0.00 C ATOM 982 ND1 HIS A 61 -1.555 8.389 7.195 1.00 0.00 N ATOM 983 CD2 HIS A 61 -2.071 6.483 8.123 1.00 0.00 C ATOM 984 CE1 HIS A 61 -1.033 8.388 8.407 1.00 0.00 C ATOM 985 NE2 HIS A 61 -1.332 7.244 8.991 1.00 0.00 N ATOM 0 H HIS A 61 -3.718 6.188 3.441 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.979 8.236 4.388 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.879 7.406 5.676 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.191 5.796 5.721 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.462 5.494 8.313 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.458 9.189 8.847 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -1.058 6.970 9.935 1.00 0.00 H new ATOM 994 N LEU A 62 -0.704 5.300 3.828 1.00 0.00 N ATOM 995 CA LEU A 62 0.570 4.607 3.685 1.00 0.00 C ATOM 996 C LEU A 62 1.556 5.475 2.914 1.00 0.00 C ATOM 997 O LEU A 62 2.659 5.743 3.386 1.00 0.00 O ATOM 998 CB LEU A 62 0.381 3.269 2.969 1.00 0.00 C ATOM 999 CG LEU A 62 -0.387 2.217 3.766 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -0.516 0.930 2.968 1.00 0.00 C ATOM 1001 CD2 LEU A 62 0.311 1.959 5.087 1.00 0.00 C ATOM 0 H LEU A 62 -1.499 4.816 3.411 1.00 0.00 H new ATOM 0 HA LEU A 62 0.968 4.413 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.143 3.447 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.362 2.867 2.715 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.391 2.592 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.066 0.193 3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.051 1.130 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.477 0.543 2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.242 1.208 5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.323 1.600 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.355 2.884 5.662 1.00 0.00 H new ATOM 1013 N ILE A 63 1.133 5.925 1.737 1.00 0.00 N ATOM 1014 CA ILE A 63 1.946 6.807 0.904 1.00 0.00 C ATOM 1015 C ILE A 63 2.169 8.143 1.610 1.00 0.00 C ATOM 1016 O ILE A 63 3.223 8.770 1.476 1.00 0.00 O ATOM 1017 CB ILE A 63 1.268 7.060 -0.463 1.00 0.00 C ATOM 1018 CG1 ILE A 63 0.957 5.730 -1.156 1.00 0.00 C ATOM 1019 CG2 ILE A 63 2.157 7.918 -1.353 1.00 0.00 C ATOM 1020 CD1 ILE A 63 0.140 5.880 -2.420 1.00 0.00 C ATOM 0 H ILE A 63 0.225 5.692 1.335 1.00 0.00 H new ATOM 0 HA ILE A 63 2.905 6.317 0.736 1.00 0.00 H new ATOM 0 HB ILE A 63 0.334 7.594 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.894 5.228 -1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.420 5.085 -0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.662 8.084 -2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.341 8.877 -0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.106 7.408 -1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.041 4.897 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.813 6.353 -2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.684 6.498 -3.134 1.00 0.00 H new ATOM 1032 N ASP A 64 1.163 8.560 2.366 1.00 0.00 N ATOM 1033 CA ASP A 64 1.211 9.794 3.140 1.00 0.00 C ATOM 1034 C ASP A 64 2.416 9.809 4.082 1.00 0.00 C ATOM 1035 O ASP A 64 3.159 10.793 4.141 1.00 0.00 O ATOM 1036 CB ASP A 64 -0.096 9.948 3.923 1.00 0.00 C ATOM 1037 CG ASP A 64 -0.050 11.034 4.975 1.00 0.00 C ATOM 1038 OD1 ASP A 64 -0.015 12.227 4.612 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -0.100 10.698 6.174 1.00 0.00 O ATOM 0 H ASP A 64 0.285 8.049 2.461 1.00 0.00 H new ATOM 0 HA ASP A 64 1.324 10.637 2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.904 10.165 3.225 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.336 8.999 4.403 1.00 0.00 H new ATOM 1044 N THR A 65 2.618 8.718 4.809 1.00 0.00 N ATOM 1045 CA THR A 65 3.772 8.602 5.687 1.00 0.00 C ATOM 1046 C THR A 65 4.811 7.633 5.119 1.00 0.00 C ATOM 1047 O THR A 65 5.816 8.058 4.543 1.00 0.00 O ATOM 1048 CB THR A 65 3.358 8.154 7.108 1.00 0.00 C ATOM 1049 OG1 THR A 65 2.486 7.014 7.038 1.00 0.00 O ATOM 1050 CG2 THR A 65 2.663 9.283 7.854 1.00 0.00 C ATOM 0 H THR A 65 2.001 7.906 4.808 1.00 0.00 H new ATOM 0 HA THR A 65 4.221 9.593 5.753 1.00 0.00 H new ATOM 0 HB THR A 65 4.263 7.883 7.651 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.233 6.740 7.944 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.382 8.942 8.850 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.339 10.134 7.939 1.00 0.00 H new ATOM 0 HG23 THR A 65 1.769 9.584 7.308 1.00 0.00 H new ATOM 1058 N SER A 66 4.521 6.339 5.246 1.00 0.00 N ATOM 1059 CA SER A 66 5.445 5.258 4.912 1.00 0.00 C ATOM 1060 C SER A 66 4.966 3.976 5.576 1.00 0.00 C ATOM 1061 O SER A 66 4.151 4.029 6.499 1.00 0.00 O ATOM 1062 CB SER A 66 6.865 5.566 5.395 1.00 0.00 C ATOM 1063 OG SER A 66 6.873 5.894 6.779 1.00 0.00 O ATOM 0 H SER A 66 3.620 6.007 5.590 1.00 0.00 H new ATOM 0 HA SER A 66 5.467 5.149 3.828 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.508 4.704 5.218 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.277 6.394 4.819 1.00 0.00 H new ATOM 0 HG SER A 66 7.791 6.085 7.065 1.00 0.00 H new ATOM 1069 N CYS A 67 5.470 2.837 5.119 1.00 0.00 N ATOM 1070 CA CYS A 67 5.138 1.561 5.732 1.00 0.00 C ATOM 1071 C CYS A 67 6.005 0.447 5.164 1.00 0.00 C ATOM 1072 O CYS A 67 6.357 0.458 3.984 1.00 0.00 O ATOM 1073 CB CYS A 67 3.660 1.227 5.510 1.00 0.00 C ATOM 1074 SG CYS A 67 3.082 -0.243 6.394 1.00 0.00 S ATOM 0 H CYS A 67 6.109 2.772 4.327 1.00 0.00 H new ATOM 0 HA CYS A 67 5.328 1.644 6.802 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.057 2.081 5.818 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.489 1.085 4.443 1.00 0.00 H new ATOM 0 HG CYS A 67 1.822 -0.434 6.140 1.00 0.00 H new ATOM 1080 N GLU A 68 6.363 -0.493 6.018 1.00 0.00 N ATOM 1081 CA GLU A 68 7.021 -1.710 5.588 1.00 0.00 C ATOM 1082 C GLU A 68 5.993 -2.831 5.644 1.00 0.00 C ATOM 1083 O GLU A 68 5.485 -3.162 6.716 1.00 0.00 O ATOM 1084 CB GLU A 68 8.212 -2.015 6.501 1.00 0.00 C ATOM 1085 CG GLU A 68 9.086 -3.161 6.019 1.00 0.00 C ATOM 1086 CD GLU A 68 10.238 -3.440 6.962 1.00 0.00 C ATOM 1087 OE1 GLU A 68 11.184 -2.627 7.010 1.00 0.00 O ATOM 1088 OE2 GLU A 68 10.195 -4.468 7.675 1.00 0.00 O ATOM 0 H GLU A 68 6.207 -0.434 7.024 1.00 0.00 H new ATOM 0 HA GLU A 68 7.405 -1.606 4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.825 -1.118 6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.841 -2.250 7.498 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.478 -4.060 5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.478 -2.925 5.030 1.00 0.00 H new ATOM 1095 N LEU A 69 5.675 -3.406 4.499 1.00 0.00 N ATOM 1096 CA LEU A 69 4.543 -4.314 4.413 1.00 0.00 C ATOM 1097 C LEU A 69 4.946 -5.662 3.833 1.00 0.00 C ATOM 1098 O LEU A 69 5.514 -5.736 2.738 1.00 0.00 O ATOM 1099 CB LEU A 69 3.444 -3.681 3.547 1.00 0.00 C ATOM 1100 CG LEU A 69 2.115 -4.443 3.486 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.457 -4.499 4.857 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.182 -3.791 2.477 1.00 0.00 C ATOM 0 H LEU A 69 6.178 -3.264 3.623 1.00 0.00 H new ATOM 0 HA LEU A 69 4.169 -4.486 5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.247 -2.676 3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.826 -3.574 2.532 1.00 0.00 H new ATOM 0 HG LEU A 69 2.321 -5.465 3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.516 -5.045 4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.120 -5.007 5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.264 -3.486 5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.242 -4.341 2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.989 -2.760 2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.646 -3.804 1.491 1.00 0.00 H new ATOM 1114 N ASP A 70 4.665 -6.722 4.575 1.00 0.00 N ATOM 1115 CA ASP A 70 4.777 -8.066 4.036 1.00 0.00 C ATOM 1116 C ASP A 70 3.481 -8.413 3.335 1.00 0.00 C ATOM 1117 O ASP A 70 2.412 -8.406 3.947 1.00 0.00 O ATOM 1118 CB ASP A 70 5.067 -9.106 5.123 1.00 0.00 C ATOM 1119 CG ASP A 70 4.973 -10.526 4.586 1.00 0.00 C ATOM 1120 OD1 ASP A 70 5.462 -10.774 3.465 1.00 0.00 O ATOM 1121 OD2 ASP A 70 4.392 -11.397 5.271 1.00 0.00 O ATOM 0 H ASP A 70 4.359 -6.677 5.547 1.00 0.00 H new ATOM 0 HA ASP A 70 5.616 -8.086 3.340 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.064 -8.937 5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.361 -8.980 5.944 1.00 0.00 H new ATOM 1126 N VAL A 71 3.571 -8.689 2.052 1.00 0.00 N ATOM 1127 CA VAL A 71 2.390 -8.960 1.261 1.00 0.00 C ATOM 1128 C VAL A 71 2.280 -10.442 0.942 1.00 0.00 C ATOM 1129 O VAL A 71 1.459 -10.854 0.125 1.00 0.00 O ATOM 1130 CB VAL A 71 2.379 -8.132 -0.037 1.00 0.00 C ATOM 1131 CG1 VAL A 71 2.153 -6.664 0.279 1.00 0.00 C ATOM 1132 CG2 VAL A 71 3.679 -8.312 -0.799 1.00 0.00 C ATOM 0 H VAL A 71 4.449 -8.732 1.535 1.00 0.00 H new ATOM 0 HA VAL A 71 1.525 -8.666 1.856 1.00 0.00 H new ATOM 0 HB VAL A 71 1.562 -8.487 -0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.147 -6.089 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.196 -6.544 0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.954 -6.303 0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.650 -7.718 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.513 -7.983 -0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.809 -9.364 -1.054 1.00 0.00 H new ATOM 1142 N GLY A 72 3.111 -11.243 1.597 1.00 0.00 N ATOM 1143 CA GLY A 72 3.035 -12.681 1.448 1.00 0.00 C ATOM 1144 C GLY A 72 3.406 -13.152 0.057 1.00 0.00 C ATOM 1145 O GLY A 72 3.966 -12.389 -0.734 1.00 0.00 O ATOM 0 H GLY A 72 3.840 -10.918 2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 72 3.698 -13.152 2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.023 -13.012 1.680 1.00 0.00 H new ATOM 1149 N ALA A 73 3.099 -14.417 -0.231 1.00 0.00 N ATOM 1150 CA ALA A 73 3.391 -15.033 -1.527 1.00 0.00 C ATOM 1151 C ALA A 73 4.893 -15.087 -1.791 1.00 0.00 C ATOM 1152 O ALA A 73 5.330 -15.295 -2.928 1.00 0.00 O ATOM 1153 CB ALA A 73 2.676 -14.296 -2.652 1.00 0.00 C ATOM 0 H ALA A 73 2.640 -15.045 0.429 1.00 0.00 H new ATOM 0 HA ALA A 73 3.019 -16.057 -1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.909 -14.772 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.600 -14.330 -2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.007 -13.258 -2.675 1.00 0.00 H new ATOM 1159 N GLY A 74 5.675 -14.928 -0.731 1.00 0.00 N ATOM 1160 CA GLY A 74 7.117 -14.925 -0.862 1.00 0.00 C ATOM 1161 C GLY A 74 7.629 -13.681 -1.555 1.00 0.00 C ATOM 1162 O GLY A 74 8.695 -13.704 -2.172 1.00 0.00 O ATOM 0 H GLY A 74 5.333 -14.801 0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.569 -14.999 0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.430 -15.806 -1.423 1.00 0.00 H new ATOM 1166 N LYS A 75 6.870 -12.598 -1.466 1.00 0.00 N ATOM 1167 CA LYS A 75 7.258 -11.349 -2.092 1.00 0.00 C ATOM 1168 C LYS A 75 7.126 -10.198 -1.109 1.00 0.00 C ATOM 1169 O LYS A 75 6.307 -10.244 -0.192 1.00 0.00 O ATOM 1170 CB LYS A 75 6.401 -11.070 -3.334 1.00 0.00 C ATOM 1171 CG LYS A 75 4.975 -10.642 -3.023 1.00 0.00 C ATOM 1172 CD LYS A 75 4.170 -10.398 -4.288 1.00 0.00 C ATOM 1173 CE LYS A 75 2.836 -9.728 -3.982 1.00 0.00 C ATOM 1174 NZ LYS A 75 2.009 -10.528 -3.038 1.00 0.00 N ATOM 0 H LYS A 75 5.982 -12.562 -0.965 1.00 0.00 H new ATOM 0 HA LYS A 75 8.300 -11.438 -2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.882 -10.291 -3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.373 -11.968 -3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.487 -11.411 -2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.991 -9.733 -2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.744 -9.772 -4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.994 -11.346 -4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.016 -8.740 -3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.284 -9.580 -4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.072 -10.087 -2.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.899 -11.495 -3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.477 -10.562 -2.110 1.00 0.00 H new ATOM 1188 N TYR A 76 7.935 -9.177 -1.301 1.00 0.00 N ATOM 1189 CA TYR A 76 7.849 -7.984 -0.483 1.00 0.00 C ATOM 1190 C TYR A 76 7.324 -6.832 -1.321 1.00 0.00 C ATOM 1191 O TYR A 76 7.384 -6.872 -2.553 1.00 0.00 O ATOM 1192 CB TYR A 76 9.213 -7.630 0.110 1.00 0.00 C ATOM 1193 CG TYR A 76 9.817 -8.745 0.928 1.00 0.00 C ATOM 1194 CD1 TYR A 76 9.272 -9.109 2.151 1.00 0.00 C ATOM 1195 CD2 TYR A 76 10.929 -9.438 0.472 1.00 0.00 C ATOM 1196 CE1 TYR A 76 9.821 -10.133 2.900 1.00 0.00 C ATOM 1197 CE2 TYR A 76 11.484 -10.462 1.212 1.00 0.00 C ATOM 1198 CZ TYR A 76 10.927 -10.806 2.424 1.00 0.00 C ATOM 1199 OH TYR A 76 11.482 -11.824 3.164 1.00 0.00 O ATOM 0 H TYR A 76 8.661 -9.149 -2.017 1.00 0.00 H new ATOM 0 HA TYR A 76 7.163 -8.173 0.342 1.00 0.00 H new ATOM 0 HB2 TYR A 76 9.897 -7.371 -0.699 1.00 0.00 H new ATOM 0 HB3 TYR A 76 9.110 -6.744 0.737 1.00 0.00 H new ATOM 0 HD1 TYR A 76 8.405 -8.584 2.524 1.00 0.00 H new ATOM 0 HD2 TYR A 76 11.368 -9.172 -0.478 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.387 -10.404 3.851 1.00 0.00 H new ATOM 0 HE2 TYR A 76 12.350 -10.991 0.843 1.00 0.00 H new ATOM 0 HH TYR A 76 12.253 -12.193 2.686 1.00 0.00 H new ATOM 1209 N LEU A 77 6.800 -5.815 -0.660 1.00 0.00 N ATOM 1210 CA LEU A 77 6.249 -4.671 -1.354 1.00 0.00 C ATOM 1211 C LEU A 77 6.763 -3.385 -0.723 1.00 0.00 C ATOM 1212 O LEU A 77 6.442 -3.073 0.425 1.00 0.00 O ATOM 1213 CB LEU A 77 4.718 -4.710 -1.296 1.00 0.00 C ATOM 1214 CG LEU A 77 4.000 -3.743 -2.241 1.00 0.00 C ATOM 1215 CD1 LEU A 77 4.178 -4.185 -3.688 1.00 0.00 C ATOM 1216 CD2 LEU A 77 2.525 -3.645 -1.883 1.00 0.00 C ATOM 0 H LEU A 77 6.746 -5.761 0.357 1.00 0.00 H new ATOM 0 HA LEU A 77 6.563 -4.703 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.389 -5.724 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.404 -4.493 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 77 4.443 -2.753 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.662 -3.487 -4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.239 -4.201 -3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.760 -5.183 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.030 -2.953 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.064 -4.629 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.422 -3.282 -0.860 1.00 0.00 H new ATOM 1228 N GLN A 78 7.578 -2.657 -1.461 1.00 0.00 N ATOM 1229 CA GLN A 78 8.093 -1.384 -0.991 1.00 0.00 C ATOM 1230 C GLN A 78 8.061 -0.371 -2.121 1.00 0.00 C ATOM 1231 O GLN A 78 8.191 -0.734 -3.292 1.00 0.00 O ATOM 1232 CB GLN A 78 9.519 -1.522 -0.451 1.00 0.00 C ATOM 1233 CG GLN A 78 10.539 -1.900 -1.511 1.00 0.00 C ATOM 1234 CD GLN A 78 11.970 -1.766 -1.025 1.00 0.00 C ATOM 1235 OE1 GLN A 78 12.859 -2.493 -1.465 1.00 0.00 O ATOM 1236 NE2 GLN A 78 12.206 -0.831 -0.118 1.00 0.00 N ATOM 0 H GLN A 78 7.899 -2.925 -2.391 1.00 0.00 H new ATOM 0 HA GLN A 78 7.458 -1.041 -0.174 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.817 -0.579 0.008 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.529 -2.276 0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 78 10.363 -2.928 -1.828 1.00 0.00 H new ATOM 0 HG3 GLN A 78 10.397 -1.267 -2.387 1.00 0.00 H new ATOM 0 HE21 GLN A 78 11.442 -0.247 0.223 1.00 0.00 H new ATOM 0 HE22 GLN A 78 13.151 -0.695 0.240 1.00 0.00 H new ATOM 1245 N TRP A 79 7.879 0.887 -1.769 1.00 0.00 N ATOM 1246 CA TRP A 79 7.805 1.947 -2.755 1.00 0.00 C ATOM 1247 C TRP A 79 8.741 3.088 -2.380 1.00 0.00 C ATOM 1248 O TRP A 79 8.860 3.446 -1.208 1.00 0.00 O ATOM 1249 CB TRP A 79 6.358 2.454 -2.883 1.00 0.00 C ATOM 1250 CG TRP A 79 5.827 3.149 -1.656 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.771 4.498 -1.441 1.00 0.00 C ATOM 1252 CD2 TRP A 79 5.270 2.536 -0.483 1.00 0.00 C ATOM 1253 NE1 TRP A 79 5.223 4.762 -0.209 1.00 0.00 N ATOM 1254 CE2 TRP A 79 4.908 3.574 0.401 1.00 0.00 C ATOM 1255 CE3 TRP A 79 5.046 1.209 -0.091 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 4.332 3.324 1.649 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 4.477 0.966 1.146 1.00 0.00 C ATOM 1258 CH2 TRP A 79 4.128 2.019 2.001 1.00 0.00 C ATOM 0 H TRP A 79 7.779 1.201 -0.804 1.00 0.00 H new ATOM 0 HA TRP A 79 8.119 1.549 -3.720 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.301 3.141 -3.727 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.710 1.609 -3.115 1.00 0.00 H new ATOM 0 HD1 TRP A 79 6.109 5.249 -2.140 1.00 0.00 H new ATOM 0 HE1 TRP A 79 5.075 5.690 0.188 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.313 0.391 -0.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 4.058 4.132 2.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.299 -0.053 1.458 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.687 1.795 2.961 1.00 0.00 H new ATOM 1269 N TYR A 80 9.431 3.630 -3.370 1.00 0.00 N ATOM 1270 CA TYR A 80 10.232 4.824 -3.169 1.00 0.00 C ATOM 1271 C TYR A 80 10.054 5.765 -4.353 1.00 0.00 C ATOM 1272 O TYR A 80 10.011 5.329 -5.506 1.00 0.00 O ATOM 1273 CB TYR A 80 11.718 4.485 -2.936 1.00 0.00 C ATOM 1274 CG TYR A 80 12.429 3.809 -4.095 1.00 0.00 C ATOM 1275 CD1 TYR A 80 12.403 2.425 -4.248 1.00 0.00 C ATOM 1276 CD2 TYR A 80 13.152 4.554 -5.019 1.00 0.00 C ATOM 1277 CE1 TYR A 80 13.077 1.809 -5.288 1.00 0.00 C ATOM 1278 CE2 TYR A 80 13.821 3.946 -6.064 1.00 0.00 C ATOM 1279 CZ TYR A 80 13.784 2.573 -6.193 1.00 0.00 C ATOM 1280 OH TYR A 80 14.461 1.967 -7.231 1.00 0.00 O ATOM 0 H TYR A 80 9.452 3.261 -4.321 1.00 0.00 H new ATOM 0 HA TYR A 80 9.884 5.325 -2.266 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.249 5.406 -2.696 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.791 3.838 -2.062 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.848 1.823 -3.544 1.00 0.00 H new ATOM 0 HD2 TYR A 80 13.192 5.629 -4.918 1.00 0.00 H new ATOM 0 HE1 TYR A 80 13.050 0.734 -5.391 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.370 4.543 -6.777 1.00 0.00 H new ATOM 0 HH TYR A 80 14.905 2.650 -7.775 1.00 0.00 H new ATOM 1290 N ALA A 81 9.922 7.049 -4.061 1.00 0.00 N ATOM 1291 CA ALA A 81 9.644 8.041 -5.085 1.00 0.00 C ATOM 1292 C ALA A 81 10.892 8.372 -5.885 1.00 0.00 C ATOM 1293 O ALA A 81 11.957 8.634 -5.320 1.00 0.00 O ATOM 1294 CB ALA A 81 9.074 9.302 -4.454 1.00 0.00 C ATOM 0 H ALA A 81 10.004 7.429 -3.118 1.00 0.00 H new ATOM 0 HA ALA A 81 8.907 7.621 -5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.870 10.038 -5.232 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.149 9.061 -3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.794 9.712 -3.746 1.00 0.00 H new ATOM 1300 N VAL A 82 10.757 8.350 -7.198 1.00 0.00 N ATOM 1301 CA VAL A 82 11.846 8.735 -8.073 1.00 0.00 C ATOM 1302 C VAL A 82 11.522 10.042 -8.779 1.00 0.00 C ATOM 1303 O VAL A 82 10.713 10.089 -9.709 1.00 0.00 O ATOM 1304 CB VAL A 82 12.182 7.640 -9.107 1.00 0.00 C ATOM 1305 CG1 VAL A 82 13.010 6.543 -8.460 1.00 0.00 C ATOM 1306 CG2 VAL A 82 10.915 7.056 -9.715 1.00 0.00 C ATOM 0 H VAL A 82 9.904 8.069 -7.681 1.00 0.00 H new ATOM 0 HA VAL A 82 12.728 8.872 -7.447 1.00 0.00 H new ATOM 0 HB VAL A 82 12.763 8.096 -9.908 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.240 5.777 -9.200 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.938 6.966 -8.075 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.447 6.098 -7.640 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.181 6.287 -10.440 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.303 6.616 -8.928 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.353 7.846 -10.213 1.00 0.00 H new