USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 553 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 597 MET CE :methyl -105:sc= -5.42! (180deg=-7.18!) USER MOD Set 1.2: A 600 MET CE :methyl 145:sc= -6.73! (180deg=-9.7!) USER MOD Set 2.1: A 561 CYS SG : rot -137:sc= -1.35 USER MOD Set 2.2: A 596 MET CE :methyl 149:sc= -3.22! (180deg=-4.31!) USER MOD Single : A 544 ASN : amide:sc= -2.57! X(o=-2.6!,f=-2.2) USER MOD Single : A 550 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 552 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 553 MET CE :methyl -159:sc= -0.0701 (180deg=-0.45) USER MOD Single : A 555 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 563 HIS :FLIP no HD1:sc= -0.358 F(o=-1.2,f=-0.36) USER MOD Single : A 566 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 570 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 579 CYS SG : rot 180:sc= -1.31 USER MOD Single : A 583 LYS NZ :NH3+ 149:sc= -1.72! (180deg=-3.34!) USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 594 CYS SG : rot 68:sc= -3.35! USER MOD Single : A 598 ASN : amide:sc= -1.99 K(o=-2,f=-7.1!) USER MOD Single : A 601 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0541) USER MOD Single : A 603 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 539 -5.898 11.473 4.708 1.00 0.00 N ATOM 60 CA GLY A 539 -5.212 10.360 5.338 1.00 0.00 C ATOM 61 C GLY A 539 -6.133 9.184 5.598 1.00 0.00 C ATOM 62 O GLY A 539 -7.222 9.350 6.148 1.00 0.00 O ATOM 0 HA2 GLY A 539 -4.388 10.038 4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.777 10.692 6.280 1.00 0.00 H new ATOM 66 N ILE A 540 -5.697 7.994 5.201 1.00 0.00 N ATOM 67 CA ILE A 540 -6.490 6.786 5.394 1.00 0.00 C ATOM 68 C ILE A 540 -5.943 5.947 6.543 1.00 0.00 C ATOM 69 O ILE A 540 -5.010 6.355 7.234 1.00 0.00 O ATOM 70 CB ILE A 540 -6.527 5.927 4.117 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.176 5.243 3.897 1.00 0.00 C ATOM 72 CG2 ILE A 540 -6.897 6.781 2.913 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.204 4.180 2.821 1.00 0.00 C ATOM 0 H ILE A 540 -4.798 7.840 4.743 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.503 7.109 5.634 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.288 5.156 4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.435 5.997 3.632 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -4.850 4.791 4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -6.919 6.159 2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -7.880 7.225 3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -6.158 7.572 2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.213 3.738 2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -5.920 3.405 3.094 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.499 4.630 1.873 1.00 0.00 H new ATOM 85 N PHE A 541 -6.529 4.770 6.740 1.00 0.00 N ATOM 86 CA PHE A 541 -6.100 3.872 7.806 1.00 0.00 C ATOM 87 C PHE A 541 -6.148 2.418 7.343 1.00 0.00 C ATOM 88 O PHE A 541 -6.981 2.045 6.517 1.00 0.00 O ATOM 89 CB PHE A 541 -6.981 4.055 9.043 1.00 0.00 C ATOM 90 CG PHE A 541 -6.276 3.747 10.332 1.00 0.00 C ATOM 91 CD1 PHE A 541 -6.098 2.436 10.744 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.790 4.769 11.133 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.449 2.149 11.930 1.00 0.00 C ATOM 94 CE2 PHE A 541 -5.140 4.488 12.320 1.00 0.00 C ATOM 95 CZ PHE A 541 -4.970 3.177 12.720 1.00 0.00 C ATOM 0 H PHE A 541 -7.302 4.416 6.176 1.00 0.00 H new ATOM 0 HA PHE A 541 -5.070 4.120 8.064 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.343 5.083 9.073 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.856 3.411 8.954 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.471 1.629 10.131 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.921 5.796 10.826 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -5.316 1.123 12.239 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.765 5.293 12.934 1.00 0.00 H new ATOM 0 HZ PHE A 541 -4.464 2.956 13.648 1.00 0.00 H new ATOM 105 N VAL A 542 -5.249 1.602 7.883 1.00 0.00 N ATOM 106 CA VAL A 542 -5.189 0.189 7.527 1.00 0.00 C ATOM 107 C VAL A 542 -5.140 -0.689 8.772 1.00 0.00 C ATOM 108 O VAL A 542 -4.734 -0.242 9.845 1.00 0.00 O ATOM 109 CB VAL A 542 -3.961 -0.117 6.648 1.00 0.00 C ATOM 110 CG1 VAL A 542 -4.095 -1.487 6.001 1.00 0.00 C ATOM 111 CG2 VAL A 542 -3.779 0.964 5.593 1.00 0.00 C ATOM 0 H VAL A 542 -4.552 1.895 8.568 1.00 0.00 H new ATOM 0 HA VAL A 542 -6.095 -0.034 6.963 1.00 0.00 H new ATOM 0 HB VAL A 542 -3.075 -0.127 7.283 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.218 -1.685 5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -4.173 -2.249 6.776 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -4.989 -1.509 5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -2.907 0.732 4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -4.665 1.008 4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.634 1.928 6.081 1.00 0.00 H new ATOM 121 N ARG A 543 -5.555 -1.943 8.622 1.00 0.00 N ATOM 122 CA ARG A 543 -5.560 -2.885 9.735 1.00 0.00 C ATOM 123 C ARG A 543 -5.400 -4.318 9.235 1.00 0.00 C ATOM 124 O ARG A 543 -5.722 -4.625 8.088 1.00 0.00 O ATOM 125 CB ARG A 543 -6.856 -2.755 10.536 1.00 0.00 C ATOM 126 CG ARG A 543 -6.797 -1.693 11.622 1.00 0.00 C ATOM 127 CD ARG A 543 -7.733 -2.023 12.775 1.00 0.00 C ATOM 128 NE ARG A 543 -7.785 -0.948 13.762 1.00 0.00 N ATOM 129 CZ ARG A 543 -8.509 -1.006 14.874 1.00 0.00 C ATOM 130 NH1 ARG A 543 -9.238 -2.081 15.139 1.00 0.00 N ATOM 131 NH2 ARG A 543 -8.504 0.013 15.725 1.00 0.00 N ATOM 0 H ARG A 543 -5.892 -2.330 7.741 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.716 -2.648 10.382 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.673 -2.520 9.854 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -7.089 -3.717 10.993 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.776 -1.607 11.994 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -7.065 -0.724 11.200 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -8.735 -2.208 12.387 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -7.403 -2.943 13.258 1.00 0.00 H new ATOM 0 HE ARG A 543 -7.235 -0.107 13.588 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -9.244 -2.866 14.488 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -9.793 -2.123 15.994 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -7.944 0.842 15.525 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -9.060 -0.033 16.579 1.00 0.00 H new ATOM 145 N ASN A 544 -4.900 -5.190 10.104 1.00 0.00 N ATOM 146 CA ASN A 544 -4.696 -6.590 9.750 1.00 0.00 C ATOM 147 C ASN A 544 -3.501 -6.746 8.814 1.00 0.00 C ATOM 148 O ASN A 544 -3.460 -7.660 7.989 1.00 0.00 O ATOM 149 CB ASN A 544 -5.953 -7.159 9.090 1.00 0.00 C ATOM 150 CG ASN A 544 -5.999 -8.674 9.142 1.00 0.00 C ATOM 151 OD1 ASN A 544 -6.633 -9.257 10.021 1.00 0.00 O ATOM 152 ND2 ASN A 544 -5.324 -9.319 8.197 1.00 0.00 N ATOM 0 H ASN A 544 -4.629 -4.952 11.058 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.492 -7.145 10.666 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.835 -6.754 9.586 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -5.994 -6.833 8.051 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -5.318 -10.339 8.181 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -4.812 -8.794 7.488 1.00 0.00 H new ATOM 159 N LEU A 545 -2.531 -5.849 8.947 1.00 0.00 N ATOM 160 CA LEU A 545 -1.334 -5.887 8.114 1.00 0.00 C ATOM 161 C LEU A 545 -0.297 -6.843 8.695 1.00 0.00 C ATOM 162 O LEU A 545 -0.124 -6.948 9.909 1.00 0.00 O ATOM 163 CB LEU A 545 -0.735 -4.485 7.983 1.00 0.00 C ATOM 164 CG LEU A 545 -1.528 -3.494 7.131 1.00 0.00 C ATOM 165 CD1 LEU A 545 -1.130 -2.065 7.465 1.00 0.00 C ATOM 166 CD2 LEU A 545 -1.316 -3.776 5.650 1.00 0.00 C ATOM 0 H LEU A 545 -2.550 -5.086 9.624 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.620 -6.247 7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.622 -4.065 8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.266 -4.577 7.561 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.587 -3.616 7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.705 -1.374 6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -1.333 -1.867 8.518 1.00 0.00 H new ATOM 0 HD13 LEU A 545 -0.067 -1.928 7.268 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.888 -3.061 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 545 -0.257 -3.681 5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.651 -4.787 5.421 1.00 0.00 H new ATOM 178 N PRO A 546 0.413 -7.556 7.808 1.00 0.00 N ATOM 179 CA PRO A 546 1.447 -8.514 8.208 1.00 0.00 C ATOM 180 C PRO A 546 2.679 -7.828 8.789 1.00 0.00 C ATOM 181 O PRO A 546 3.170 -6.842 8.239 1.00 0.00 O ATOM 182 CB PRO A 546 1.799 -9.225 6.899 1.00 0.00 C ATOM 183 CG PRO A 546 1.447 -8.248 5.831 1.00 0.00 C ATOM 184 CD PRO A 546 0.260 -7.482 6.345 1.00 0.00 C ATOM 0 HA PRO A 546 1.098 -9.185 8.993 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.856 -9.487 6.863 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.237 -10.152 6.788 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.282 -7.580 5.623 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.208 -8.759 4.898 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.264 -6.451 5.992 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.679 -7.928 6.016 1.00 0.00 H new ATOM 192 N PHE A 547 3.175 -8.356 9.903 1.00 0.00 N ATOM 193 CA PHE A 547 4.350 -7.794 10.558 1.00 0.00 C ATOM 194 C PHE A 547 5.404 -7.390 9.532 1.00 0.00 C ATOM 195 O PHE A 547 5.759 -6.216 9.420 1.00 0.00 O ATOM 196 CB PHE A 547 4.943 -8.803 11.544 1.00 0.00 C ATOM 197 CG PHE A 547 3.916 -9.447 12.432 1.00 0.00 C ATOM 198 CD1 PHE A 547 3.121 -8.678 13.266 1.00 0.00 C ATOM 199 CD2 PHE A 547 3.747 -10.823 12.432 1.00 0.00 C ATOM 200 CE1 PHE A 547 2.176 -9.267 14.083 1.00 0.00 C ATOM 201 CE2 PHE A 547 2.803 -11.418 13.248 1.00 0.00 C ATOM 202 CZ PHE A 547 2.017 -10.639 14.075 1.00 0.00 C ATOM 0 H PHE A 547 2.781 -9.172 10.371 1.00 0.00 H new ATOM 0 HA PHE A 547 4.039 -6.903 11.103 1.00 0.00 H new ATOM 0 HB2 PHE A 547 5.468 -9.579 10.986 1.00 0.00 H new ATOM 0 HB3 PHE A 547 5.684 -8.300 12.165 1.00 0.00 H new ATOM 0 HD1 PHE A 547 3.242 -7.605 13.277 1.00 0.00 H new ATOM 0 HD2 PHE A 547 4.359 -11.437 11.788 1.00 0.00 H new ATOM 0 HE1 PHE A 547 1.562 -8.655 14.727 1.00 0.00 H new ATOM 0 HE2 PHE A 547 2.680 -12.491 13.239 1.00 0.00 H new ATOM 0 HZ PHE A 547 1.280 -11.102 14.714 1.00 0.00 H new ATOM 212 N ASP A 548 5.901 -8.370 8.785 1.00 0.00 N ATOM 213 CA ASP A 548 6.914 -8.118 7.767 1.00 0.00 C ATOM 214 C ASP A 548 6.702 -6.755 7.115 1.00 0.00 C ATOM 215 O ASP A 548 7.655 -6.009 6.887 1.00 0.00 O ATOM 216 CB ASP A 548 6.883 -9.216 6.703 1.00 0.00 C ATOM 217 CG ASP A 548 6.979 -10.606 7.303 1.00 0.00 C ATOM 218 OD1 ASP A 548 8.065 -10.960 7.806 1.00 0.00 O ATOM 219 OD2 ASP A 548 5.968 -11.338 7.267 1.00 0.00 O ATOM 0 H ASP A 548 5.618 -9.347 8.866 1.00 0.00 H new ATOM 0 HA ASP A 548 7.890 -8.121 8.253 1.00 0.00 H new ATOM 0 HB2 ASP A 548 5.961 -9.135 6.128 1.00 0.00 H new ATOM 0 HB3 ASP A 548 7.708 -9.066 6.006 1.00 0.00 H new ATOM 224 N PHE A 549 5.447 -6.436 6.817 1.00 0.00 N ATOM 225 CA PHE A 549 5.109 -5.164 6.189 1.00 0.00 C ATOM 226 C PHE A 549 5.861 -4.014 6.854 1.00 0.00 C ATOM 227 O PHE A 549 5.560 -3.631 7.985 1.00 0.00 O ATOM 228 CB PHE A 549 3.602 -4.916 6.268 1.00 0.00 C ATOM 229 CG PHE A 549 3.066 -4.108 5.121 1.00 0.00 C ATOM 230 CD1 PHE A 549 2.803 -4.706 3.899 1.00 0.00 C ATOM 231 CD2 PHE A 549 2.826 -2.751 5.264 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.311 -3.965 2.841 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.334 -2.005 4.210 1.00 0.00 C ATOM 234 CZ PHE A 549 2.075 -2.613 2.997 1.00 0.00 C ATOM 0 H PHE A 549 4.647 -7.041 7.000 1.00 0.00 H new ATOM 0 HA PHE A 549 5.407 -5.213 5.142 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.085 -5.875 6.299 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.375 -4.401 7.202 1.00 0.00 H new ATOM 0 HD1 PHE A 549 2.984 -5.763 3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 549 3.026 -2.271 6.210 1.00 0.00 H new ATOM 0 HE1 PHE A 549 2.111 -4.443 1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 549 2.152 -0.948 4.334 1.00 0.00 H new ATOM 0 HZ PHE A 549 1.689 -2.032 2.172 1.00 0.00 H new ATOM 244 N THR A 550 6.841 -3.466 6.142 1.00 0.00 N ATOM 245 CA THR A 550 7.637 -2.361 6.661 1.00 0.00 C ATOM 246 C THR A 550 7.128 -1.023 6.138 1.00 0.00 C ATOM 247 O THR A 550 6.575 -0.945 5.041 1.00 0.00 O ATOM 248 CB THR A 550 9.123 -2.514 6.286 1.00 0.00 C ATOM 249 OG1 THR A 550 9.244 -2.906 4.914 1.00 0.00 O ATOM 250 CG2 THR A 550 9.802 -3.545 7.174 1.00 0.00 C ATOM 0 H THR A 550 7.102 -3.770 5.204 1.00 0.00 H new ATOM 0 HA THR A 550 7.540 -2.384 7.746 1.00 0.00 H new ATOM 0 HB THR A 550 9.613 -1.552 6.434 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.192 -2.999 4.683 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.851 -3.636 6.890 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.734 -3.230 8.215 1.00 0.00 H new ATOM 0 HG23 THR A 550 9.309 -4.510 7.054 1.00 0.00 H new ATOM 258 N TRP A 551 7.318 0.027 6.929 1.00 0.00 N ATOM 259 CA TRP A 551 6.878 1.363 6.544 1.00 0.00 C ATOM 260 C TRP A 551 7.065 1.588 5.048 1.00 0.00 C ATOM 261 O TRP A 551 6.156 2.056 4.362 1.00 0.00 O ATOM 262 CB TRP A 551 7.650 2.423 7.331 1.00 0.00 C ATOM 263 CG TRP A 551 9.114 2.452 7.012 1.00 0.00 C ATOM 264 CD1 TRP A 551 10.091 1.678 7.571 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.767 3.298 6.059 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.311 1.993 7.023 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.139 2.983 6.093 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.325 4.290 5.179 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.071 3.626 5.282 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.251 4.928 4.375 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.611 4.593 4.430 1.00 0.00 C ATOM 0 H TRP A 551 7.774 -0.021 7.840 1.00 0.00 H new ATOM 0 HA TRP A 551 5.816 1.449 6.776 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.221 3.403 7.123 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.522 2.238 8.398 1.00 0.00 H new ATOM 0 HD1 TRP A 551 9.928 0.929 8.332 1.00 0.00 H new ATOM 0 HE1 TRP A 551 12.201 1.559 7.269 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.279 4.553 5.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.119 3.371 5.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 9.921 5.698 3.693 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.310 5.108 3.787 1.00 0.00 H new ATOM 282 N LYS A 552 8.248 1.251 4.546 1.00 0.00 N ATOM 283 CA LYS A 552 8.554 1.414 3.130 1.00 0.00 C ATOM 284 C LYS A 552 7.424 0.869 2.263 1.00 0.00 C ATOM 285 O LYS A 552 6.896 1.571 1.401 1.00 0.00 O ATOM 286 CB LYS A 552 9.864 0.703 2.784 1.00 0.00 C ATOM 287 CG LYS A 552 11.099 1.559 3.012 1.00 0.00 C ATOM 288 CD LYS A 552 12.336 0.928 2.395 1.00 0.00 C ATOM 289 CE LYS A 552 13.485 1.921 2.312 1.00 0.00 C ATOM 290 NZ LYS A 552 14.481 1.530 1.276 1.00 0.00 N ATOM 0 H LYS A 552 9.012 0.863 5.100 1.00 0.00 H new ATOM 0 HA LYS A 552 8.662 2.480 2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 552 9.945 -0.204 3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 552 9.835 0.393 1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 552 10.941 2.548 2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 552 11.255 1.697 4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 552 12.641 0.066 2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 552 12.099 0.560 1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 552 13.093 2.912 2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 552 13.977 1.989 3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 15.248 2.231 1.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 14.874 0.595 1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 14.017 1.490 0.346 1.00 0.00 H new ATOM 304 N MET A 553 7.057 -0.387 2.498 1.00 0.00 N ATOM 305 CA MET A 553 5.987 -1.025 1.739 1.00 0.00 C ATOM 306 C MET A 553 4.727 -0.166 1.749 1.00 0.00 C ATOM 307 O MET A 553 4.209 0.207 0.695 1.00 0.00 O ATOM 308 CB MET A 553 5.679 -2.408 2.316 1.00 0.00 C ATOM 309 CG MET A 553 6.820 -3.400 2.158 1.00 0.00 C ATOM 310 SD MET A 553 6.811 -4.221 0.553 1.00 0.00 S ATOM 311 CE MET A 553 5.391 -5.298 0.732 1.00 0.00 C ATOM 0 H MET A 553 7.484 -0.983 3.207 1.00 0.00 H new ATOM 0 HA MET A 553 6.322 -1.135 0.708 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.441 -2.306 3.375 1.00 0.00 H new ATOM 0 HB3 MET A 553 4.791 -2.807 1.827 1.00 0.00 H new ATOM 0 HG2 MET A 553 7.769 -2.880 2.290 1.00 0.00 H new ATOM 0 HG3 MET A 553 6.755 -4.151 2.946 1.00 0.00 H new ATOM 0 HE1 MET A 553 5.462 -6.116 0.015 1.00 0.00 H new ATOM 0 HE2 MET A 553 5.367 -5.704 1.743 1.00 0.00 H new ATOM 0 HE3 MET A 553 4.479 -4.731 0.547 1.00 0.00 H new ATOM 321 N LEU A 554 4.238 0.146 2.944 1.00 0.00 N ATOM 322 CA LEU A 554 3.037 0.962 3.090 1.00 0.00 C ATOM 323 C LEU A 554 3.096 2.186 2.182 1.00 0.00 C ATOM 324 O LEU A 554 2.075 2.640 1.666 1.00 0.00 O ATOM 325 CB LEU A 554 2.870 1.401 4.546 1.00 0.00 C ATOM 326 CG LEU A 554 1.468 1.859 4.952 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.497 0.689 4.928 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.496 2.504 6.330 1.00 0.00 C ATOM 0 H LEU A 554 4.654 -0.153 3.826 1.00 0.00 H new ATOM 0 HA LEU A 554 2.179 0.357 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 554 3.160 0.571 5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.567 2.216 4.741 1.00 0.00 H new ATOM 0 HG LEU A 554 1.126 2.603 4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.495 1.034 5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.455 0.272 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.834 -0.078 5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.490 2.824 6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 554 1.858 1.782 7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.160 3.369 6.314 1.00 0.00 H new ATOM 340 N LYS A 555 4.300 2.715 1.988 1.00 0.00 N ATOM 341 CA LYS A 555 4.495 3.884 1.138 1.00 0.00 C ATOM 342 C LYS A 555 4.499 3.491 -0.336 1.00 0.00 C ATOM 343 O LYS A 555 3.697 3.991 -1.124 1.00 0.00 O ATOM 344 CB LYS A 555 5.807 4.585 1.494 1.00 0.00 C ATOM 345 CG LYS A 555 6.457 5.292 0.318 1.00 0.00 C ATOM 346 CD LYS A 555 7.836 5.820 0.677 1.00 0.00 C ATOM 347 CE LYS A 555 7.768 7.245 1.204 1.00 0.00 C ATOM 348 NZ LYS A 555 9.124 7.818 1.429 1.00 0.00 N ATOM 0 H LYS A 555 5.156 2.352 2.408 1.00 0.00 H new ATOM 0 HA LYS A 555 3.665 4.570 1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.618 5.311 2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.504 3.850 1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 555 6.538 4.603 -0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.824 6.118 -0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 555 8.289 5.174 1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 555 8.480 5.786 -0.202 1.00 0.00 H new ATOM 0 HE2 LYS A 555 7.223 7.869 0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 555 7.208 7.260 2.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 9.035 8.790 1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 9.635 7.238 2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 9.650 7.827 0.532 1.00 0.00 H new ATOM 362 N ASP A 556 5.406 2.591 -0.701 1.00 0.00 N ATOM 363 CA ASP A 556 5.513 2.129 -2.079 1.00 0.00 C ATOM 364 C ASP A 556 4.227 1.440 -2.523 1.00 0.00 C ATOM 365 O ASP A 556 3.523 1.924 -3.410 1.00 0.00 O ATOM 366 CB ASP A 556 6.697 1.173 -2.229 1.00 0.00 C ATOM 367 CG ASP A 556 8.003 1.791 -1.771 1.00 0.00 C ATOM 368 OD1 ASP A 556 8.409 2.818 -2.353 1.00 0.00 O ATOM 369 OD2 ASP A 556 8.619 1.248 -0.830 1.00 0.00 O ATOM 0 H ASP A 556 6.078 2.167 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 556 5.676 2.999 -2.716 1.00 0.00 H new ATOM 0 HB2 ASP A 556 6.505 0.268 -1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 556 6.787 0.872 -3.273 1.00 0.00 H new ATOM 374 N LYS A 557 3.925 0.305 -1.900 1.00 0.00 N ATOM 375 CA LYS A 557 2.723 -0.452 -2.229 1.00 0.00 C ATOM 376 C LYS A 557 1.553 0.482 -2.518 1.00 0.00 C ATOM 377 O LYS A 557 0.810 0.284 -3.480 1.00 0.00 O ATOM 378 CB LYS A 557 2.362 -1.399 -1.082 1.00 0.00 C ATOM 379 CG LYS A 557 0.935 -1.916 -1.146 1.00 0.00 C ATOM 380 CD LYS A 557 0.697 -2.743 -2.398 1.00 0.00 C ATOM 381 CE LYS A 557 1.050 -4.205 -2.175 1.00 0.00 C ATOM 382 NZ LYS A 557 1.507 -4.863 -3.431 1.00 0.00 N ATOM 0 H LYS A 557 4.497 -0.110 -1.164 1.00 0.00 H new ATOM 0 HA LYS A 557 2.927 -1.038 -3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.047 -2.247 -1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.510 -0.881 -0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 557 0.727 -2.521 -0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.241 -1.075 -1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 557 -0.348 -2.661 -2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.294 -2.344 -3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 557 1.833 -4.279 -1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.180 -4.733 -1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 1.738 -5.858 -3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 0.750 -4.815 -4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.352 -4.375 -3.791 1.00 0.00 H new ATOM 396 N PHE A 558 1.394 1.502 -1.680 1.00 0.00 N ATOM 397 CA PHE A 558 0.315 2.467 -1.846 1.00 0.00 C ATOM 398 C PHE A 558 0.650 3.475 -2.942 1.00 0.00 C ATOM 399 O PHE A 558 -0.238 3.979 -3.629 1.00 0.00 O ATOM 400 CB PHE A 558 0.049 3.199 -0.529 1.00 0.00 C ATOM 401 CG PHE A 558 -0.719 2.379 0.468 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.266 1.126 0.850 1.00 0.00 C ATOM 403 CD2 PHE A 558 -1.893 2.860 1.024 1.00 0.00 C ATOM 404 CE1 PHE A 558 -0.971 0.369 1.766 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.602 2.108 1.941 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.140 0.861 2.313 1.00 0.00 C ATOM 0 H PHE A 558 2.000 1.681 -0.879 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.583 1.923 -2.139 1.00 0.00 H new ATOM 0 HB2 PHE A 558 1.001 3.494 -0.088 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.504 4.115 -0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.648 0.737 0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.259 3.835 0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.608 -0.607 2.054 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.516 2.495 2.366 1.00 0.00 H new ATOM 0 HZ PHE A 558 -2.692 0.272 3.030 1.00 0.00 H new ATOM 416 N ASN A 559 1.938 3.764 -3.098 1.00 0.00 N ATOM 417 CA ASN A 559 2.391 4.712 -4.109 1.00 0.00 C ATOM 418 C ASN A 559 1.662 4.489 -5.431 1.00 0.00 C ATOM 419 O ASN A 559 1.518 5.410 -6.234 1.00 0.00 O ATOM 420 CB ASN A 559 3.901 4.582 -4.319 1.00 0.00 C ATOM 421 CG ASN A 559 4.517 5.847 -4.885 1.00 0.00 C ATOM 422 OD1 ASN A 559 4.561 6.040 -6.100 1.00 0.00 O ATOM 423 ND2 ASN A 559 4.997 6.717 -4.003 1.00 0.00 N ATOM 0 H ASN A 559 2.686 3.355 -2.537 1.00 0.00 H new ATOM 0 HA ASN A 559 2.164 5.718 -3.755 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.378 4.343 -3.369 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.101 3.750 -4.994 1.00 0.00 H new ATOM 0 HD21 ASN A 559 5.423 7.586 -4.324 1.00 0.00 H new ATOM 0 HD22 ASN A 559 4.939 6.516 -3.005 1.00 0.00 H new ATOM 430 N GLU A 560 1.205 3.260 -5.647 1.00 0.00 N ATOM 431 CA GLU A 560 0.491 2.916 -6.871 1.00 0.00 C ATOM 432 C GLU A 560 -0.707 3.838 -7.080 1.00 0.00 C ATOM 433 O GLU A 560 -0.868 4.432 -8.147 1.00 0.00 O ATOM 434 CB GLU A 560 0.024 1.459 -6.824 1.00 0.00 C ATOM 435 CG GLU A 560 1.149 0.454 -7.005 1.00 0.00 C ATOM 436 CD GLU A 560 0.671 -0.981 -6.901 1.00 0.00 C ATOM 437 OE1 GLU A 560 0.005 -1.454 -7.846 1.00 0.00 O ATOM 438 OE2 GLU A 560 0.962 -1.631 -5.875 1.00 0.00 O ATOM 0 H GLU A 560 1.316 2.487 -4.991 1.00 0.00 H new ATOM 0 HA GLU A 560 1.177 3.044 -7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 560 -0.467 1.274 -5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 560 -0.723 1.300 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 560 1.616 0.608 -7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 560 1.916 0.633 -6.252 1.00 0.00 H new ATOM 445 N CYS A 561 -1.543 3.953 -6.055 1.00 0.00 N ATOM 446 CA CYS A 561 -2.727 4.802 -6.125 1.00 0.00 C ATOM 447 C CYS A 561 -2.342 6.250 -6.407 1.00 0.00 C ATOM 448 O CYS A 561 -2.928 6.902 -7.270 1.00 0.00 O ATOM 449 CB CYS A 561 -3.519 4.717 -4.819 1.00 0.00 C ATOM 450 SG CYS A 561 -4.959 5.809 -4.757 1.00 0.00 S ATOM 0 H CYS A 561 -1.423 3.469 -5.165 1.00 0.00 H new ATOM 0 HA CYS A 561 -3.352 4.445 -6.944 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -3.850 3.689 -4.673 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -2.856 4.960 -3.988 1.00 0.00 H new ATOM 0 HG CYS A 561 -5.026 6.373 -3.588 1.00 0.00 H new ATOM 456 N GLY A 562 -1.352 6.748 -5.672 1.00 0.00 N ATOM 457 CA GLY A 562 -0.907 8.117 -5.857 1.00 0.00 C ATOM 458 C GLY A 562 0.425 8.389 -5.186 1.00 0.00 C ATOM 459 O GLY A 562 1.250 7.487 -5.040 1.00 0.00 O ATOM 0 H GLY A 562 -0.850 6.228 -4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -0.823 8.328 -6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.658 8.797 -5.456 1.00 0.00 H new ATOM 463 N HIS A 563 0.636 9.636 -4.777 1.00 0.00 N ATOM 464 CA HIS A 563 1.878 10.025 -4.119 1.00 0.00 C ATOM 465 C HIS A 563 1.745 9.922 -2.603 1.00 0.00 C ATOM 466 O HIS A 563 0.936 10.621 -1.992 1.00 0.00 O ATOM 467 CB HIS A 563 2.265 11.450 -4.513 1.00 0.00 C ATOM 468 CG HIS A 563 3.524 11.932 -3.861 1.00 0.00 C ATOM 469 ND1 HIS A 563 3.714 12.736 -2.789 1.00 0.00 N flip ATOM 470 CD2 HIS A 563 4.782 11.589 -4.308 1.00 0.00 C flip ATOM 471 CE1 HIS A 563 5.069 12.862 -2.609 1.00 0.00 C flip ATOM 472 NE2 HIS A 563 5.691 12.160 -3.539 1.00 0.00 N flip ATOM 0 H HIS A 563 -0.037 10.394 -4.890 1.00 0.00 H new ATOM 0 HA HIS A 563 2.662 9.341 -4.445 1.00 0.00 H new ATOM 0 HB2 HIS A 563 2.385 11.499 -5.595 1.00 0.00 H new ATOM 0 HB3 HIS A 563 1.449 12.124 -4.252 1.00 0.00 H new ATOM 0 HD2 HIS A 563 4.992 10.953 -5.155 1.00 0.00 H new ATOM 0 HE1 HIS A 563 5.548 13.441 -1.833 1.00 0.00 H new ATOM 0 HE2 HIS A 563 6.702 12.074 -3.645 1.00 0.00 H new ATOM 481 N VAL A 564 2.543 9.045 -2.001 1.00 0.00 N ATOM 482 CA VAL A 564 2.514 8.851 -0.556 1.00 0.00 C ATOM 483 C VAL A 564 3.354 9.904 0.157 1.00 0.00 C ATOM 484 O VAL A 564 4.578 9.938 0.016 1.00 0.00 O ATOM 485 CB VAL A 564 3.027 7.452 -0.168 1.00 0.00 C ATOM 486 CG1 VAL A 564 3.250 7.363 1.334 1.00 0.00 C ATOM 487 CG2 VAL A 564 2.054 6.380 -0.634 1.00 0.00 C ATOM 0 H VAL A 564 3.217 8.458 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 564 1.474 8.948 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 564 3.983 7.284 -0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.612 6.367 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.987 8.106 1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 564 2.310 7.551 1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.432 5.398 -0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 564 1.082 6.543 -0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 564 1.949 6.430 -1.718 1.00 0.00 H new ATOM 497 N LEU A 565 2.691 10.764 0.922 1.00 0.00 N ATOM 498 CA LEU A 565 3.377 11.819 1.659 1.00 0.00 C ATOM 499 C LEU A 565 3.900 11.300 2.995 1.00 0.00 C ATOM 500 O LEU A 565 5.067 11.497 3.335 1.00 0.00 O ATOM 501 CB LEU A 565 2.433 13.001 1.893 1.00 0.00 C ATOM 502 CG LEU A 565 1.977 13.753 0.643 1.00 0.00 C ATOM 503 CD1 LEU A 565 0.908 14.775 0.995 1.00 0.00 C ATOM 504 CD2 LEU A 565 3.160 14.428 -0.036 1.00 0.00 C ATOM 0 H LEU A 565 1.679 10.751 1.048 1.00 0.00 H new ATOM 0 HA LEU A 565 4.226 12.151 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.549 12.636 2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.927 13.709 2.558 1.00 0.00 H new ATOM 0 HG LEU A 565 1.547 13.033 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.596 15.300 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 565 0.050 14.267 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 565 1.311 15.491 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 565 2.816 14.958 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.620 15.136 0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 565 3.892 13.674 -0.325 1.00 0.00 H new ATOM 516 N TYR A 566 3.030 10.634 3.746 1.00 0.00 N ATOM 517 CA TYR A 566 3.405 10.086 5.044 1.00 0.00 C ATOM 518 C TYR A 566 2.995 8.621 5.156 1.00 0.00 C ATOM 519 O TYR A 566 1.949 8.217 4.649 1.00 0.00 O ATOM 520 CB TYR A 566 2.757 10.895 6.169 1.00 0.00 C ATOM 521 CG TYR A 566 3.004 10.323 7.547 1.00 0.00 C ATOM 522 CD1 TYR A 566 4.247 10.440 8.156 1.00 0.00 C ATOM 523 CD2 TYR A 566 1.994 9.667 8.239 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.478 9.918 9.414 1.00 0.00 C ATOM 525 CE2 TYR A 566 2.215 9.143 9.498 1.00 0.00 C ATOM 526 CZ TYR A 566 3.458 9.271 10.081 1.00 0.00 C ATOM 527 OH TYR A 566 3.684 8.751 11.335 1.00 0.00 O ATOM 0 H TYR A 566 2.061 10.461 3.479 1.00 0.00 H new ATOM 0 HA TYR A 566 4.489 10.150 5.137 1.00 0.00 H new ATOM 0 HB2 TYR A 566 3.136 11.916 6.136 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.682 10.948 5.994 1.00 0.00 H new ATOM 0 HD1 TYR A 566 5.047 10.948 7.637 1.00 0.00 H new ATOM 0 HD2 TYR A 566 1.019 9.565 7.785 1.00 0.00 H new ATOM 0 HE1 TYR A 566 5.451 10.016 9.873 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.419 8.636 10.023 1.00 0.00 H new ATOM 0 HH TYR A 566 2.864 8.329 11.667 1.00 0.00 H new ATOM 537 N ALA A 567 3.828 7.829 5.824 1.00 0.00 N ATOM 538 CA ALA A 567 3.552 6.410 6.005 1.00 0.00 C ATOM 539 C ALA A 567 4.304 5.854 7.210 1.00 0.00 C ATOM 540 O ALA A 567 5.527 5.715 7.181 1.00 0.00 O ATOM 541 CB ALA A 567 3.921 5.636 4.748 1.00 0.00 C ATOM 0 H ALA A 567 4.699 8.147 6.248 1.00 0.00 H new ATOM 0 HA ALA A 567 2.484 6.294 6.190 1.00 0.00 H new ATOM 0 HB1 ALA A 567 3.710 4.577 4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.336 6.008 3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 567 4.982 5.768 4.538 1.00 0.00 H new ATOM 547 N ASP A 568 3.565 5.539 8.269 1.00 0.00 N ATOM 548 CA ASP A 568 4.162 4.998 9.484 1.00 0.00 C ATOM 549 C ASP A 568 3.403 3.763 9.959 1.00 0.00 C ATOM 550 O ASP A 568 2.173 3.762 10.014 1.00 0.00 O ATOM 551 CB ASP A 568 4.177 6.059 10.586 1.00 0.00 C ATOM 552 CG ASP A 568 5.097 5.690 11.733 1.00 0.00 C ATOM 553 OD1 ASP A 568 6.296 5.453 11.478 1.00 0.00 O ATOM 554 OD2 ASP A 568 4.618 5.636 12.885 1.00 0.00 O ATOM 0 H ASP A 568 2.552 5.649 8.310 1.00 0.00 H new ATOM 0 HA ASP A 568 5.188 4.707 9.257 1.00 0.00 H new ATOM 0 HB2 ASP A 568 4.493 7.013 10.163 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.165 6.198 10.966 1.00 0.00 H new ATOM 559 N ILE A 569 4.145 2.715 10.300 1.00 0.00 N ATOM 560 CA ILE A 569 3.541 1.474 10.771 1.00 0.00 C ATOM 561 C ILE A 569 3.296 1.518 12.275 1.00 0.00 C ATOM 562 O ILE A 569 4.225 1.385 13.071 1.00 0.00 O ATOM 563 CB ILE A 569 4.427 0.257 10.441 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.737 0.215 8.944 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.744 -1.029 10.883 1.00 0.00 C ATOM 566 CD1 ILE A 569 3.526 -0.072 8.084 1.00 0.00 C ATOM 0 H ILE A 569 5.164 2.700 10.259 1.00 0.00 H new ATOM 0 HA ILE A 569 2.587 1.370 10.254 1.00 0.00 H new ATOM 0 HB ILE A 569 5.367 0.352 10.984 1.00 0.00 H new ATOM 0 HG12 ILE A 569 5.168 1.170 8.643 1.00 0.00 H new ATOM 0 HG13 ILE A 569 5.493 -0.548 8.759 1.00 0.00 H new ATOM 0 HG21 ILE A 569 4.381 -1.880 10.644 1.00 0.00 H new ATOM 0 HG22 ILE A 569 3.570 -0.997 11.959 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.791 -1.132 10.364 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.820 -0.087 7.035 1.00 0.00 H new ATOM 0 HD12 ILE A 569 3.107 -1.040 8.357 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.777 0.704 8.240 1.00 0.00 H new ATOM 578 N LYS A 570 2.037 1.703 12.658 1.00 0.00 N ATOM 579 CA LYS A 570 1.667 1.761 14.067 1.00 0.00 C ATOM 580 C LYS A 570 2.104 0.496 14.798 1.00 0.00 C ATOM 581 O LYS A 570 1.496 -0.563 14.642 1.00 0.00 O ATOM 582 CB LYS A 570 0.155 1.949 14.211 1.00 0.00 C ATOM 583 CG LYS A 570 -0.281 3.404 14.202 1.00 0.00 C ATOM 584 CD LYS A 570 0.571 4.235 13.257 1.00 0.00 C ATOM 585 CE LYS A 570 -0.133 5.523 12.858 1.00 0.00 C ATOM 586 NZ LYS A 570 -0.035 6.561 13.921 1.00 0.00 N ATOM 0 H LYS A 570 1.256 1.815 12.012 1.00 0.00 H new ATOM 0 HA LYS A 570 2.178 2.613 14.516 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.347 1.423 13.399 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -0.173 1.486 15.142 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -1.327 3.470 13.903 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -0.211 3.812 15.210 1.00 0.00 H new ATOM 0 HD2 LYS A 570 1.521 4.472 13.735 1.00 0.00 H new ATOM 0 HD3 LYS A 570 0.800 3.653 12.364 1.00 0.00 H new ATOM 0 HE2 LYS A 570 0.305 5.905 11.936 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -1.182 5.314 12.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -0.527 7.423 13.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -0.475 6.206 14.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 0.966 6.779 14.102 1.00 0.00 H new ATOM 686 N LYS A 577 1.342 -4.082 15.099 1.00 0.00 N ATOM 687 CA LYS A 577 -0.039 -4.482 15.341 1.00 0.00 C ATOM 688 C LYS A 577 -0.820 -4.560 14.033 1.00 0.00 C ATOM 689 O LYS A 577 -2.050 -4.579 14.034 1.00 0.00 O ATOM 690 CB LYS A 577 -0.717 -3.497 16.295 1.00 0.00 C ATOM 691 CG LYS A 577 -0.024 -3.378 17.641 1.00 0.00 C ATOM 692 CD LYS A 577 -0.303 -4.586 18.520 1.00 0.00 C ATOM 693 CE LYS A 577 -1.686 -4.511 19.148 1.00 0.00 C ATOM 694 NZ LYS A 577 -2.136 -5.836 19.659 1.00 0.00 N ATOM 0 HA LYS A 577 -0.030 -5.472 15.797 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -0.751 -2.514 15.825 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -1.749 -3.810 16.454 1.00 0.00 H new ATOM 0 HG2 LYS A 577 1.051 -3.277 17.490 1.00 0.00 H new ATOM 0 HG3 LYS A 577 -0.362 -2.473 18.146 1.00 0.00 H new ATOM 0 HD2 LYS A 577 -0.221 -5.496 17.926 1.00 0.00 H new ATOM 0 HD3 LYS A 577 0.451 -4.648 19.305 1.00 0.00 H new ATOM 0 HE2 LYS A 577 -1.675 -3.791 19.966 1.00 0.00 H new ATOM 0 HE3 LYS A 577 -2.400 -4.144 18.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 -3.083 -5.743 20.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 -2.171 -6.517 18.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -1.468 -6.175 20.381 1.00 0.00 H new ATOM 708 N GLY A 578 -0.097 -4.606 12.918 1.00 0.00 N ATOM 709 CA GLY A 578 -0.739 -4.683 11.620 1.00 0.00 C ATOM 710 C GLY A 578 -1.715 -3.547 11.388 1.00 0.00 C ATOM 711 O GLY A 578 -2.884 -3.777 11.076 1.00 0.00 O ATOM 0 H GLY A 578 0.923 -4.591 12.891 1.00 0.00 H new ATOM 0 HA2 GLY A 578 0.022 -4.669 10.840 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -1.266 -5.634 11.534 1.00 0.00 H new ATOM 715 N CYS A 579 -1.236 -2.317 11.542 1.00 0.00 N ATOM 716 CA CYS A 579 -2.076 -1.140 11.349 1.00 0.00 C ATOM 717 C CYS A 579 -1.224 0.114 11.185 1.00 0.00 C ATOM 718 O CYS A 579 -0.058 0.141 11.576 1.00 0.00 O ATOM 719 CB CYS A 579 -3.031 -0.971 12.531 1.00 0.00 C ATOM 720 SG CYS A 579 -2.258 -1.216 14.147 1.00 0.00 S ATOM 0 H CYS A 579 -0.271 -2.109 11.800 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.658 -1.284 10.439 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -3.463 0.029 12.495 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.854 -1.678 12.423 1.00 0.00 H new ATOM 0 HG CYS A 579 -3.146 -1.050 15.082 1.00 0.00 H new ATOM 726 N GLY A 580 -1.815 1.153 10.601 1.00 0.00 N ATOM 727 CA GLY A 580 -1.095 2.395 10.393 1.00 0.00 C ATOM 728 C GLY A 580 -1.912 3.418 9.630 1.00 0.00 C ATOM 729 O GLY A 580 -3.136 3.313 9.552 1.00 0.00 O ATOM 0 H GLY A 580 -2.779 1.156 10.269 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.808 2.811 11.359 1.00 0.00 H new ATOM 0 HA3 GLY A 580 -0.174 2.190 9.848 1.00 0.00 H new ATOM 733 N VAL A 581 -1.235 4.414 9.066 1.00 0.00 N ATOM 734 CA VAL A 581 -1.907 5.461 8.306 1.00 0.00 C ATOM 735 C VAL A 581 -1.094 5.856 7.078 1.00 0.00 C ATOM 736 O VAL A 581 0.123 5.675 7.041 1.00 0.00 O ATOM 737 CB VAL A 581 -2.151 6.713 9.170 1.00 0.00 C ATOM 738 CG1 VAL A 581 -3.375 6.521 10.053 1.00 0.00 C ATOM 739 CG2 VAL A 581 -0.922 7.029 10.009 1.00 0.00 C ATOM 0 H VAL A 581 -0.222 4.517 9.121 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.867 5.055 7.988 1.00 0.00 H new ATOM 0 HB VAL A 581 -2.338 7.559 8.509 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -3.532 7.415 10.656 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -4.251 6.346 9.428 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -3.220 5.664 10.708 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -1.112 7.916 10.613 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.701 6.185 10.663 1.00 0.00 H new ATOM 0 HG23 VAL A 581 -0.071 7.212 9.353 1.00 0.00 H new ATOM 749 N VAL A 582 -1.776 6.396 6.073 1.00 0.00 N ATOM 750 CA VAL A 582 -1.118 6.819 4.842 1.00 0.00 C ATOM 751 C VAL A 582 -1.764 8.079 4.278 1.00 0.00 C ATOM 752 O VAL A 582 -2.929 8.068 3.879 1.00 0.00 O ATOM 753 CB VAL A 582 -1.161 5.710 3.774 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.702 6.248 2.427 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.309 4.525 4.202 1.00 0.00 C ATOM 0 H VAL A 582 -2.784 6.551 6.087 1.00 0.00 H new ATOM 0 HA VAL A 582 -0.079 7.030 5.095 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.191 5.369 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.739 5.450 1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.358 7.062 2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.320 6.617 2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.351 3.751 3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.723 4.848 4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -0.688 4.125 5.143 1.00 0.00 H new ATOM 765 N LYS A 583 -1.000 9.166 4.247 1.00 0.00 N ATOM 766 CA LYS A 583 -1.496 10.436 3.730 1.00 0.00 C ATOM 767 C LYS A 583 -1.216 10.561 2.236 1.00 0.00 C ATOM 768 O LYS A 583 -0.251 9.991 1.725 1.00 0.00 O ATOM 769 CB LYS A 583 -0.851 11.603 4.480 1.00 0.00 C ATOM 770 CG LYS A 583 -1.646 12.062 5.690 1.00 0.00 C ATOM 771 CD LYS A 583 -1.221 11.326 6.949 1.00 0.00 C ATOM 772 CE LYS A 583 -2.000 10.032 7.129 1.00 0.00 C ATOM 773 NZ LYS A 583 -3.244 10.239 7.921 1.00 0.00 N ATOM 0 H LYS A 583 -0.034 9.193 4.574 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.575 10.466 3.884 1.00 0.00 H new ATOM 0 HB2 LYS A 583 0.148 11.309 4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -0.731 12.442 3.795 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -1.509 13.134 5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -2.709 11.897 5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 583 -0.155 11.106 6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -1.375 11.968 7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 583 -2.256 9.623 6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 583 -1.370 9.295 7.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -3.971 9.564 7.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -3.042 10.087 8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 -3.588 11.210 7.779 1.00 0.00 H new ATOM 787 N PHE A 584 -2.063 11.312 1.540 1.00 0.00 N ATOM 788 CA PHE A 584 -1.906 11.513 0.104 1.00 0.00 C ATOM 789 C PHE A 584 -1.928 12.999 -0.242 1.00 0.00 C ATOM 790 O PHE A 584 -2.316 13.832 0.576 1.00 0.00 O ATOM 791 CB PHE A 584 -3.014 10.783 -0.658 1.00 0.00 C ATOM 792 CG PHE A 584 -2.860 9.289 -0.655 1.00 0.00 C ATOM 793 CD1 PHE A 584 -2.066 8.659 -1.599 1.00 0.00 C ATOM 794 CD2 PHE A 584 -3.511 8.515 0.293 1.00 0.00 C ATOM 795 CE1 PHE A 584 -1.923 7.284 -1.598 1.00 0.00 C ATOM 796 CE2 PHE A 584 -3.371 7.141 0.299 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.577 6.524 -0.648 1.00 0.00 C ATOM 0 H PHE A 584 -2.866 11.792 1.947 1.00 0.00 H new ATOM 0 HA PHE A 584 -0.940 11.103 -0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -3.977 11.042 -0.219 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -3.029 11.137 -1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -1.553 9.249 -2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -4.134 8.992 1.035 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -1.301 6.805 -2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -3.882 6.549 1.044 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.468 5.450 -0.646 1.00 0.00 H new ATOM 807 N GLU A 585 -1.507 13.322 -1.462 1.00 0.00 N ATOM 808 CA GLU A 585 -1.477 14.707 -1.916 1.00 0.00 C ATOM 809 C GLU A 585 -2.890 15.229 -2.165 1.00 0.00 C ATOM 810 O GLU A 585 -3.205 16.375 -1.844 1.00 0.00 O ATOM 811 CB GLU A 585 -0.644 14.830 -3.193 1.00 0.00 C ATOM 812 CG GLU A 585 0.829 15.100 -2.936 1.00 0.00 C ATOM 813 CD GLU A 585 1.608 15.355 -4.212 1.00 0.00 C ATOM 814 OE1 GLU A 585 1.060 15.095 -5.303 1.00 0.00 O ATOM 815 OE2 GLU A 585 2.765 15.814 -4.118 1.00 0.00 O ATOM 0 H GLU A 585 -1.183 12.644 -2.152 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.019 15.310 -1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -0.741 13.910 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.051 15.635 -3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.927 15.963 -2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 585 1.265 14.249 -2.413 1.00 0.00 H new ATOM 822 N SER A 586 -3.735 14.380 -2.741 1.00 0.00 N ATOM 823 CA SER A 586 -5.112 14.756 -3.037 1.00 0.00 C ATOM 824 C SER A 586 -6.092 13.913 -2.226 1.00 0.00 C ATOM 825 O SER A 586 -5.792 12.793 -1.812 1.00 0.00 O ATOM 826 CB SER A 586 -5.397 14.593 -4.531 1.00 0.00 C ATOM 827 OG SER A 586 -4.973 15.733 -5.259 1.00 0.00 O ATOM 0 H SER A 586 -3.490 13.428 -3.012 1.00 0.00 H new ATOM 0 HA SER A 586 -5.244 15.802 -2.761 1.00 0.00 H new ATOM 0 HB2 SER A 586 -4.886 13.707 -4.907 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.464 14.435 -4.686 1.00 0.00 H new ATOM 0 HG SER A 586 -5.165 15.603 -6.211 1.00 0.00 H new ATOM 833 N PRO A 587 -7.293 14.463 -1.994 1.00 0.00 N ATOM 834 CA PRO A 587 -8.342 13.780 -1.232 1.00 0.00 C ATOM 835 C PRO A 587 -8.925 12.589 -1.986 1.00 0.00 C ATOM 836 O PRO A 587 -9.208 11.548 -1.395 1.00 0.00 O ATOM 837 CB PRO A 587 -9.406 14.864 -1.042 1.00 0.00 C ATOM 838 CG PRO A 587 -9.197 15.803 -2.179 1.00 0.00 C ATOM 839 CD PRO A 587 -7.719 15.794 -2.458 1.00 0.00 C ATOM 0 HA PRO A 587 -7.963 13.367 -0.297 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.410 14.440 -1.058 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.289 15.370 -0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -9.761 15.486 -3.056 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -9.540 16.806 -1.925 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -7.509 15.936 -3.518 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.204 16.591 -1.921 1.00 0.00 H new ATOM 847 N GLU A 588 -9.100 12.751 -3.294 1.00 0.00 N ATOM 848 CA GLU A 588 -9.649 11.688 -4.127 1.00 0.00 C ATOM 849 C GLU A 588 -8.749 10.456 -4.101 1.00 0.00 C ATOM 850 O GLU A 588 -9.225 9.324 -4.192 1.00 0.00 O ATOM 851 CB GLU A 588 -9.822 12.176 -5.567 1.00 0.00 C ATOM 852 CG GLU A 588 -10.571 11.198 -6.456 1.00 0.00 C ATOM 853 CD GLU A 588 -12.069 11.430 -6.446 1.00 0.00 C ATOM 854 OE1 GLU A 588 -12.584 11.933 -5.426 1.00 0.00 O ATOM 855 OE2 GLU A 588 -12.727 11.108 -7.457 1.00 0.00 O ATOM 0 H GLU A 588 -8.870 13.607 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.624 11.413 -3.724 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.355 13.127 -5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -8.839 12.366 -5.998 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -10.201 11.284 -7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -10.363 10.180 -6.126 1.00 0.00 H new ATOM 862 N VAL A 589 -7.446 10.685 -3.976 1.00 0.00 N ATOM 863 CA VAL A 589 -6.478 9.595 -3.937 1.00 0.00 C ATOM 864 C VAL A 589 -6.584 8.812 -2.633 1.00 0.00 C ATOM 865 O VAL A 589 -6.365 7.602 -2.604 1.00 0.00 O ATOM 866 CB VAL A 589 -5.038 10.117 -4.094 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.050 8.961 -4.116 1.00 0.00 C ATOM 868 CG2 VAL A 589 -4.912 10.961 -5.354 1.00 0.00 C ATOM 0 H VAL A 589 -7.036 11.616 -3.900 1.00 0.00 H new ATOM 0 HA VAL A 589 -6.710 8.936 -4.773 1.00 0.00 H new ATOM 0 HB VAL A 589 -4.803 10.748 -3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -3.038 9.350 -4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.123 8.402 -3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.280 8.302 -4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -3.888 11.322 -5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.166 10.356 -6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.592 11.811 -5.292 1.00 0.00 H new ATOM 878 N ALA A 590 -6.922 9.513 -1.555 1.00 0.00 N ATOM 879 CA ALA A 590 -7.060 8.883 -0.248 1.00 0.00 C ATOM 880 C ALA A 590 -8.210 7.882 -0.239 1.00 0.00 C ATOM 881 O ALA A 590 -8.049 6.743 0.199 1.00 0.00 O ATOM 882 CB ALA A 590 -7.269 9.939 0.827 1.00 0.00 C ATOM 0 H ALA A 590 -7.105 10.516 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 590 -6.139 8.340 -0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.371 9.454 1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.413 10.614 0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.173 10.507 0.608 1.00 0.00 H new ATOM 888 N GLU A 591 -9.369 8.315 -0.724 1.00 0.00 N ATOM 889 CA GLU A 591 -10.546 7.455 -0.770 1.00 0.00 C ATOM 890 C GLU A 591 -10.407 6.400 -1.863 1.00 0.00 C ATOM 891 O GLU A 591 -11.016 5.332 -1.792 1.00 0.00 O ATOM 892 CB GLU A 591 -11.806 8.290 -1.009 1.00 0.00 C ATOM 893 CG GLU A 591 -12.145 8.473 -2.478 1.00 0.00 C ATOM 894 CD GLU A 591 -13.155 9.580 -2.710 1.00 0.00 C ATOM 895 OE1 GLU A 591 -14.301 9.448 -2.231 1.00 0.00 O ATOM 896 OE2 GLU A 591 -12.799 10.578 -3.371 1.00 0.00 O ATOM 0 H GLU A 591 -9.518 9.255 -1.090 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.631 6.948 0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.648 7.813 -0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.675 9.270 -0.550 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.233 8.696 -3.032 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.539 7.538 -2.875 1.00 0.00 H new ATOM 903 N ARG A 592 -9.601 6.707 -2.875 1.00 0.00 N ATOM 904 CA ARG A 592 -9.383 5.787 -3.984 1.00 0.00 C ATOM 905 C ARG A 592 -8.591 4.565 -3.530 1.00 0.00 C ATOM 906 O ARG A 592 -8.876 3.440 -3.939 1.00 0.00 O ATOM 907 CB ARG A 592 -8.644 6.493 -5.122 1.00 0.00 C ATOM 908 CG ARG A 592 -8.526 5.655 -6.385 1.00 0.00 C ATOM 909 CD ARG A 592 -7.609 6.310 -7.405 1.00 0.00 C ATOM 910 NE ARG A 592 -7.876 5.842 -8.762 1.00 0.00 N ATOM 911 CZ ARG A 592 -7.103 6.127 -9.804 1.00 0.00 C ATOM 912 NH1 ARG A 592 -6.019 6.874 -9.645 1.00 0.00 N ATOM 913 NH2 ARG A 592 -7.413 5.664 -11.008 1.00 0.00 N ATOM 0 H ARG A 592 -9.089 7.586 -2.949 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.357 5.454 -4.343 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.163 7.422 -5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -7.645 6.764 -4.782 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -8.143 4.666 -6.132 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -9.514 5.512 -6.822 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -7.735 7.392 -7.363 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -6.571 6.100 -7.147 1.00 0.00 H new ATOM 0 HE ARG A 592 -8.702 5.264 -8.919 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -5.777 7.231 -8.721 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -5.427 7.091 -10.447 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -8.246 5.089 -11.134 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -6.819 5.884 -11.807 1.00 0.00 H new ATOM 927 N ALA A 593 -7.594 4.795 -2.682 1.00 0.00 N ATOM 928 CA ALA A 593 -6.761 3.713 -2.170 1.00 0.00 C ATOM 929 C ALA A 593 -7.579 2.744 -1.324 1.00 0.00 C ATOM 930 O ALA A 593 -7.287 1.548 -1.277 1.00 0.00 O ATOM 931 CB ALA A 593 -5.603 4.277 -1.360 1.00 0.00 C ATOM 0 H ALA A 593 -7.343 5.721 -2.335 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.360 3.162 -3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.989 3.458 -0.984 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -4.996 4.924 -1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.993 4.854 -0.521 1.00 0.00 H new ATOM 937 N CYS A 594 -8.603 3.266 -0.658 1.00 0.00 N ATOM 938 CA CYS A 594 -9.462 2.446 0.188 1.00 0.00 C ATOM 939 C CYS A 594 -10.225 1.420 -0.644 1.00 0.00 C ATOM 940 O CYS A 594 -10.679 0.399 -0.126 1.00 0.00 O ATOM 941 CB CYS A 594 -10.446 3.328 0.959 1.00 0.00 C ATOM 942 SG CYS A 594 -9.657 4.500 2.087 1.00 0.00 S ATOM 0 H CYS A 594 -8.858 4.253 -0.688 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.829 1.913 0.898 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -11.057 3.881 0.246 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -11.121 2.689 1.529 1.00 0.00 H new ATOM 0 HG CYS A 594 -9.013 5.397 1.400 1.00 0.00 H new ATOM 948 N ARG A 595 -10.365 1.700 -1.936 1.00 0.00 N ATOM 949 CA ARG A 595 -11.076 0.803 -2.839 1.00 0.00 C ATOM 950 C ARG A 595 -10.110 -0.167 -3.514 1.00 0.00 C ATOM 951 O ARG A 595 -10.409 -1.351 -3.666 1.00 0.00 O ATOM 952 CB ARG A 595 -11.832 1.606 -3.899 1.00 0.00 C ATOM 953 CG ARG A 595 -13.107 2.250 -3.379 1.00 0.00 C ATOM 954 CD ARG A 595 -13.459 3.503 -4.166 1.00 0.00 C ATOM 955 NE ARG A 595 -14.900 3.739 -4.204 1.00 0.00 N ATOM 956 CZ ARG A 595 -15.478 4.627 -5.004 1.00 0.00 C ATOM 957 NH1 ARG A 595 -14.743 5.359 -5.830 1.00 0.00 N ATOM 958 NH2 ARG A 595 -16.796 4.785 -4.981 1.00 0.00 N ATOM 0 H ARG A 595 -9.996 2.540 -2.380 1.00 0.00 H new ATOM 0 HA ARG A 595 -11.790 0.227 -2.251 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -11.176 2.383 -4.291 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.080 0.949 -4.732 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -13.928 1.536 -3.442 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -12.985 2.503 -2.326 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -12.962 4.364 -3.718 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -13.080 3.410 -5.184 1.00 0.00 H new ATOM 0 HE ARG A 595 -15.495 3.192 -3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -13.730 5.241 -5.852 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -15.191 6.040 -6.443 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -17.366 4.224 -4.348 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -17.239 5.468 -5.596 1.00 0.00 H new ATOM 972 N MET A 596 -8.951 0.345 -3.917 1.00 0.00 N ATOM 973 CA MET A 596 -7.942 -0.476 -4.575 1.00 0.00 C ATOM 974 C MET A 596 -7.165 -1.304 -3.556 1.00 0.00 C ATOM 975 O MET A 596 -7.058 -2.523 -3.686 1.00 0.00 O ATOM 976 CB MET A 596 -6.979 0.405 -5.374 1.00 0.00 C ATOM 977 CG MET A 596 -7.671 1.284 -6.403 1.00 0.00 C ATOM 978 SD MET A 596 -6.628 1.635 -7.831 1.00 0.00 S ATOM 979 CE MET A 596 -6.136 3.322 -7.485 1.00 0.00 C ATOM 0 H MET A 596 -8.688 1.323 -3.799 1.00 0.00 H new ATOM 0 HA MET A 596 -8.452 -1.157 -5.257 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.421 1.038 -4.684 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.253 -0.231 -5.881 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.585 0.794 -6.738 1.00 0.00 H new ATOM 0 HG3 MET A 596 -7.966 2.223 -5.934 1.00 0.00 H new ATOM 0 HE1 MET A 596 -5.141 3.502 -7.893 1.00 0.00 H new ATOM 0 HE2 MET A 596 -6.846 4.010 -7.944 1.00 0.00 H new ATOM 0 HE3 MET A 596 -6.120 3.483 -6.407 1.00 0.00 H new ATOM 989 N MET A 597 -6.626 -0.634 -2.544 1.00 0.00 N ATOM 990 CA MET A 597 -5.860 -1.309 -1.502 1.00 0.00 C ATOM 991 C MET A 597 -6.724 -2.328 -0.766 1.00 0.00 C ATOM 992 O MET A 597 -6.417 -3.519 -0.749 1.00 0.00 O ATOM 993 CB MET A 597 -5.297 -0.289 -0.510 1.00 0.00 C ATOM 994 CG MET A 597 -4.450 0.791 -1.164 1.00 0.00 C ATOM 995 SD MET A 597 -3.443 0.158 -2.519 1.00 0.00 S ATOM 996 CE MET A 597 -2.019 -0.458 -1.624 1.00 0.00 C ATOM 0 H MET A 597 -6.705 0.376 -2.423 1.00 0.00 H new ATOM 0 HA MET A 597 -5.033 -1.836 -1.978 1.00 0.00 H new ATOM 0 HB2 MET A 597 -6.123 0.182 0.023 1.00 0.00 H new ATOM 0 HB3 MET A 597 -4.695 -0.811 0.233 1.00 0.00 H new ATOM 0 HG2 MET A 597 -5.101 1.581 -1.539 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.801 1.242 -0.414 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.181 0.225 -1.759 1.00 0.00 H new ATOM 0 HE2 MET A 597 -2.260 -0.532 -0.563 1.00 0.00 H new ATOM 0 HE3 MET A 597 -1.749 -1.443 -2.004 1.00 0.00 H new ATOM 1006 N ASN A 598 -7.807 -1.851 -0.160 1.00 0.00 N ATOM 1007 CA ASN A 598 -8.715 -2.721 0.579 1.00 0.00 C ATOM 1008 C ASN A 598 -9.101 -3.938 -0.256 1.00 0.00 C ATOM 1009 O ASN A 598 -9.583 -3.806 -1.380 1.00 0.00 O ATOM 1010 CB ASN A 598 -9.971 -1.951 0.989 1.00 0.00 C ATOM 1011 CG ASN A 598 -10.775 -2.678 2.050 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -10.497 -3.834 2.371 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -11.777 -2.003 2.600 1.00 0.00 N ATOM 0 H ASN A 598 -8.077 -0.867 -0.166 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.200 -3.066 1.475 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -9.685 -0.968 1.364 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -10.596 -1.788 0.111 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.353 -2.441 3.319 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -11.971 -1.047 2.303 1.00 0.00 H new ATOM 1020 N GLY A 599 -8.885 -5.125 0.303 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.216 -6.349 -0.403 1.00 0.00 C ATOM 1022 C GLY A 599 -7.992 -7.042 -0.968 1.00 0.00 C ATOM 1023 O GLY A 599 -8.109 -8.031 -1.691 1.00 0.00 O ATOM 0 H GLY A 599 -8.487 -5.261 1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -9.733 -7.028 0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -9.908 -6.121 -1.214 1.00 0.00 H new ATOM 1027 N MET A 600 -6.815 -6.521 -0.639 1.00 0.00 N ATOM 1028 CA MET A 600 -5.564 -7.097 -1.120 1.00 0.00 C ATOM 1029 C MET A 600 -4.921 -7.972 -0.048 1.00 0.00 C ATOM 1030 O MET A 600 -4.460 -7.475 0.980 1.00 0.00 O ATOM 1031 CB MET A 600 -4.595 -5.989 -1.538 1.00 0.00 C ATOM 1032 CG MET A 600 -4.043 -5.190 -0.368 1.00 0.00 C ATOM 1033 SD MET A 600 -3.267 -3.647 -0.885 1.00 0.00 S ATOM 1034 CE MET A 600 -2.246 -3.287 0.542 1.00 0.00 C ATOM 0 H MET A 600 -6.701 -5.702 -0.042 1.00 0.00 H new ATOM 0 HA MET A 600 -5.789 -7.719 -1.986 1.00 0.00 H new ATOM 0 HB2 MET A 600 -3.765 -6.432 -2.088 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.105 -5.311 -2.222 1.00 0.00 H new ATOM 0 HG2 MET A 600 -4.851 -4.970 0.330 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.314 -5.797 0.169 1.00 0.00 H new ATOM 0 HE1 MET A 600 -1.318 -2.817 0.216 1.00 0.00 H new ATOM 0 HE2 MET A 600 -2.780 -2.612 1.210 1.00 0.00 H new ATOM 0 HE3 MET A 600 -2.018 -4.213 1.069 1.00 0.00 H new ATOM 1044 N LYS A 601 -4.895 -9.277 -0.294 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.308 -10.222 0.648 1.00 0.00 C ATOM 1046 C LYS A 601 -2.785 -10.193 0.572 1.00 0.00 C ATOM 1047 O LYS A 601 -2.189 -10.732 -0.361 1.00 0.00 O ATOM 1048 CB LYS A 601 -4.816 -11.638 0.366 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.241 -11.878 0.833 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.481 -13.341 1.165 1.00 0.00 C ATOM 1051 CE LYS A 601 -7.894 -13.573 1.676 1.00 0.00 C ATOM 1052 NZ LYS A 601 -8.911 -13.369 0.608 1.00 0.00 N ATOM 0 H LYS A 601 -5.274 -9.705 -1.139 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.609 -9.928 1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -4.757 -11.829 -0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.157 -12.355 0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.444 -11.267 1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -6.937 -11.561 0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -6.310 -13.949 0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -5.763 -13.667 1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -7.977 -14.587 2.067 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -8.096 -12.894 2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -9.852 -13.618 0.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -8.908 -12.372 0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -8.684 -13.974 -0.207 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.160 -9.560 1.559 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.706 -9.462 1.605 1.00 0.00 C ATOM 1068 C LEU A 602 -0.092 -10.726 2.200 1.00 0.00 C ATOM 1069 O LEU A 602 -0.151 -10.946 3.409 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.283 -8.242 2.425 1.00 0.00 C ATOM 1071 CG LEU A 602 -0.940 -6.915 2.042 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.184 -5.748 2.658 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -1.006 -6.771 0.528 1.00 0.00 C ATOM 0 H LEU A 602 -2.638 -9.107 2.338 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.342 -9.350 0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.499 -8.442 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.798 -8.128 2.338 1.00 0.00 H new ATOM 0 HG LEU A 602 -1.958 -6.908 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -0.666 -4.812 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.188 -5.844 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.845 -5.750 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -1.476 -5.821 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 602 0.003 -6.799 0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.592 -7.590 0.110 1.00 0.00 H new ATOM 1085 N SER A 603 0.497 -11.551 1.341 1.00 0.00 N ATOM 1086 CA SER A 603 1.120 -12.794 1.781 1.00 0.00 C ATOM 1087 C SER A 603 0.094 -13.715 2.434 1.00 0.00 C ATOM 1088 O SER A 603 0.437 -14.561 3.258 1.00 0.00 O ATOM 1089 CB SER A 603 2.256 -12.500 2.764 1.00 0.00 C ATOM 1090 OG SER A 603 3.249 -13.510 2.712 1.00 0.00 O ATOM 0 H SER A 603 0.556 -11.382 0.337 1.00 0.00 H new ATOM 0 HA SER A 603 1.528 -13.297 0.904 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.703 -11.534 2.530 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.857 -12.430 3.776 1.00 0.00 H new ATOM 0 HG SER A 603 3.964 -13.299 3.348 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.170 -13.544 2.057 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.228 -14.366 2.614 1.00 0.00 C ATOM 1098 C GLY A 604 -2.903 -13.713 3.805 1.00 0.00 C ATOM 1099 O GLY A 604 -3.376 -14.399 4.711 1.00 0.00 O ATOM 0 H GLY A 604 -1.480 -12.851 1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -2.972 -14.567 1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -1.815 -15.328 2.917 1.00 0.00 H new ATOM 1103 N ARG A 605 -2.945 -12.385 3.804 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.564 -11.640 4.894 1.00 0.00 C ATOM 1105 C ARG A 605 -4.452 -10.523 4.354 1.00 0.00 C ATOM 1106 O ARG A 605 -3.970 -9.588 3.715 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.491 -11.054 5.813 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.694 -12.105 6.568 1.00 0.00 C ATOM 1109 CD ARG A 605 -1.213 -11.582 7.912 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.806 -12.662 8.806 1.00 0.00 N ATOM 1111 CZ ARG A 605 -1.659 -13.507 9.374 1.00 0.00 C ATOM 1112 NH1 ARG A 605 -2.960 -13.398 9.141 1.00 0.00 N ATOM 1113 NH2 ARG A 605 -1.212 -14.465 10.176 1.00 0.00 N ATOM 0 H ARG A 605 -2.558 -11.803 3.061 1.00 0.00 H new ATOM 0 HA ARG A 605 -4.185 -12.330 5.465 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.806 -10.449 5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -2.966 -10.385 6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.311 -12.990 6.721 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.837 -12.413 5.969 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.374 -10.904 7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -2.008 -11.003 8.381 1.00 0.00 H new ATOM 0 HE ARG A 605 0.188 -12.774 9.005 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -3.308 -12.664 8.524 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -3.613 -14.048 9.579 1.00 0.00 H new ATOM 0 HH21 ARG A 605 -0.212 -14.553 10.357 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -1.868 -15.113 10.611 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.751 -10.629 4.614 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.706 -9.628 4.152 1.00 0.00 C ATOM 1129 C GLU A 606 -6.646 -8.376 5.023 1.00 0.00 C ATOM 1130 O GLU A 606 -6.537 -8.463 6.246 1.00 0.00 O ATOM 1131 CB GLU A 606 -8.125 -10.201 4.161 1.00 0.00 C ATOM 1132 CG GLU A 606 -9.013 -9.646 3.060 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.476 -9.605 3.456 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -10.876 -8.642 4.143 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -11.220 -10.534 3.079 1.00 0.00 O ATOM 0 H GLU A 606 -6.166 -11.397 5.141 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.440 -9.353 3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -8.071 -11.285 4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.585 -9.993 5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.682 -8.640 2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -8.900 -10.257 2.164 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.718 -7.214 4.383 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.673 -5.945 5.099 1.00 0.00 C ATOM 1144 C ILE A 607 -7.887 -5.083 4.767 1.00 0.00 C ATOM 1145 O ILE A 607 -8.485 -5.220 3.700 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.392 -5.157 4.767 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.092 -5.235 3.269 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.218 -5.689 5.576 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -3.817 -4.527 2.870 1.00 0.00 C ATOM 0 H ILE A 607 -6.808 -7.125 3.371 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.679 -6.182 6.163 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.548 -4.111 5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.024 -6.282 2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -5.926 -4.802 2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.320 -5.122 5.330 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.433 -5.586 6.640 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.059 -6.741 5.338 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.668 -4.624 1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -3.889 -3.472 3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -2.973 -4.975 3.395 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.243 -4.194 5.687 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.384 -3.306 5.492 1.00 0.00 C ATOM 1163 C ASP A 608 -8.938 -1.848 5.456 1.00 0.00 C ATOM 1164 O ASP A 608 -8.666 -1.245 6.495 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.412 -3.511 6.605 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.748 -2.871 6.283 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -11.765 -1.668 5.946 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -12.778 -3.573 6.368 1.00 0.00 O ATOM 0 H ASP A 608 -7.758 -4.069 6.576 1.00 0.00 H new ATOM 0 HA ASP A 608 -9.844 -3.550 4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -10.555 -4.579 6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -10.026 -3.092 7.534 1.00 0.00 H new ATOM 1173 N VAL A 609 -8.864 -1.286 4.254 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.451 0.101 4.082 1.00 0.00 C ATOM 1175 C VAL A 609 -9.659 1.019 3.932 1.00 0.00 C ATOM 1176 O VAL A 609 -10.475 0.845 3.028 1.00 0.00 O ATOM 1177 CB VAL A 609 -7.538 0.267 2.852 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -6.928 1.660 2.824 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.454 -0.799 2.846 1.00 0.00 C ATOM 0 H VAL A 609 -9.085 -1.771 3.384 1.00 0.00 H new ATOM 0 HA VAL A 609 -7.895 0.379 4.978 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.142 0.143 1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -6.286 1.759 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -7.723 2.404 2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.337 1.817 3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -5.818 -0.667 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -5.851 -0.709 3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -6.915 -1.786 2.814 1.00 0.00 H new ATOM 1189 N ARG A 610 -9.765 1.998 4.825 1.00 0.00 N ATOM 1190 CA ARG A 610 -10.874 2.944 4.794 1.00 0.00 C ATOM 1191 C ARG A 610 -10.381 4.368 5.033 1.00 0.00 C ATOM 1192 O ARG A 610 -9.240 4.579 5.446 1.00 0.00 O ATOM 1193 CB ARG A 610 -11.920 2.572 5.846 1.00 0.00 C ATOM 1194 CG ARG A 610 -12.259 1.090 5.871 1.00 0.00 C ATOM 1195 CD ARG A 610 -12.959 0.657 4.592 1.00 0.00 C ATOM 1196 NE ARG A 610 -14.392 0.935 4.631 1.00 0.00 N ATOM 1197 CZ ARG A 610 -15.251 0.498 3.717 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -14.823 -0.235 2.698 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -16.540 0.793 3.822 1.00 0.00 N ATOM 0 H ARG A 610 -9.096 2.157 5.579 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.331 2.897 3.805 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -11.556 2.869 6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -12.830 3.141 5.658 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -11.346 0.509 6.002 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -12.899 0.876 6.727 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -12.513 1.173 3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -12.801 -0.410 4.436 1.00 0.00 H new ATOM 0 HE ARG A 610 -14.753 1.496 5.403 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -13.833 -0.464 2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -15.484 -0.570 1.997 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -16.872 1.356 4.605 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -17.199 0.457 3.120 1.00 0.00 H new ATOM 1213 N ILE A 611 -11.247 5.341 4.770 1.00 0.00 N ATOM 1214 CA ILE A 611 -10.899 6.744 4.958 1.00 0.00 C ATOM 1215 C ILE A 611 -11.027 7.151 6.422 1.00 0.00 C ATOM 1216 O ILE A 611 -12.101 7.048 7.014 1.00 0.00 O ATOM 1217 CB ILE A 611 -11.790 7.663 4.102 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.448 7.504 2.619 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.626 9.112 4.535 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -10.094 8.065 2.247 1.00 0.00 C ATOM 0 H ILE A 611 -12.194 5.184 4.426 1.00 0.00 H new ATOM 0 HA ILE A 611 -9.862 6.858 4.641 1.00 0.00 H new ATOM 0 HB ILE A 611 -12.831 7.375 4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.477 6.446 2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -12.214 8.000 2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -12.262 9.749 3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -11.913 9.214 5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -10.585 9.413 4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -9.919 7.917 1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -10.067 9.131 2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -9.319 7.552 2.816 1.00 0.00 H new ATOM 1232 N ASP A 612 -9.924 7.615 6.999 1.00 0.00 N ATOM 1233 CA ASP A 612 -9.912 8.041 8.394 1.00 0.00 C ATOM 1234 C ASP A 612 -10.261 9.521 8.513 1.00 0.00 C ATOM 1235 O ASP A 612 -9.436 10.388 8.226 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.541 7.776 9.019 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.627 7.504 10.508 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -9.278 6.510 10.894 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -8.042 8.284 11.287 1.00 0.00 O ATOM 0 H ASP A 612 -9.027 7.706 6.523 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.665 7.464 8.931 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -8.077 6.923 8.523 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -7.894 8.636 8.846 1.00 0.00 H new