USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=13 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 148:sc= -2.73 (180deg=-6.26!) USER MOD Set 1.2: A 600 MET CE :methyl -103:sc= -6.98! (180deg=-12.1!) USER MOD Set 2.1: A 561 CYS SG : rot -120:sc= -0.408 USER MOD Set 2.2: A 596 MET CE :methyl -145:sc=-0.00155 (180deg=-0.0541) USER MOD Single : A 544 ASN : amide:sc= -1.38! X(o=-1.4!,f=-1.4) USER MOD Single : A 550 THR OG1 : rot 180:sc= 0 USER MOD Single : A 552 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 553 MET CE :methyl -158:sc= -0.0604 (180deg=-0.42) 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= -0.205 X(o=-0.21,f=-0.3) USER MOD Single : A 563 HIS : no HD1:sc= -0.474 X(o=-0.47,f=-0.16) USER MOD Single : A 566 TYR OH : rot 180:sc= 0 USER MOD Single : A 570 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 577 LYS NZ :NH3+ -165:sc= -0.0122 (180deg=-0.157) USER MOD Single : A 579 CYS SG : rot 180:sc= -1.86 USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 594 CYS SG : rot 70:sc= -0.654 USER MOD Single : A 598 ASN : amide:sc= -0.197 K(o=-0.2,f=-4.6!) USER MOD Single : A 601 LYS NZ :NH3+ -108:sc= 0.0204 (180deg=0) USER MOD Single : A 603 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 539 -5.704 11.253 4.935 1.00 0.00 N ATOM 60 CA GLY A 539 -5.011 10.171 5.610 1.00 0.00 C ATOM 61 C GLY A 539 -5.919 8.990 5.895 1.00 0.00 C ATOM 62 O GLY A 539 -6.870 9.103 6.669 1.00 0.00 O ATOM 0 HA2 GLY A 539 -4.173 9.841 4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.594 10.539 6.547 1.00 0.00 H new ATOM 66 N ILE A 540 -5.625 7.856 5.269 1.00 0.00 N ATOM 67 CA ILE A 540 -6.423 6.651 5.459 1.00 0.00 C ATOM 68 C ILE A 540 -5.914 5.836 6.643 1.00 0.00 C ATOM 69 O ILE A 540 -5.014 6.266 7.366 1.00 0.00 O ATOM 70 CB ILE A 540 -6.413 5.765 4.199 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.041 5.112 4.019 1.00 0.00 C ATOM 72 CG2 ILE A 540 -6.781 6.585 2.972 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.068 3.882 3.139 1.00 0.00 C ATOM 0 H ILE A 540 -4.841 7.746 4.626 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.444 6.977 5.657 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.156 4.977 4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.354 5.841 3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -4.646 4.840 4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -6.770 5.945 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -7.778 7.006 3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -6.060 7.392 2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.062 3.472 3.056 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -5.729 3.135 3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.433 4.152 2.148 1.00 0.00 H new ATOM 85 N PHE A 541 -6.495 4.657 6.837 1.00 0.00 N ATOM 86 CA PHE A 541 -6.099 3.780 7.933 1.00 0.00 C ATOM 87 C PHE A 541 -6.210 2.314 7.525 1.00 0.00 C ATOM 88 O PHE A 541 -7.234 1.881 6.996 1.00 0.00 O ATOM 89 CB PHE A 541 -6.968 4.046 9.165 1.00 0.00 C ATOM 90 CG PHE A 541 -6.278 3.739 10.463 1.00 0.00 C ATOM 91 CD1 PHE A 541 -6.164 2.433 10.910 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.744 4.757 11.236 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.529 2.147 12.104 1.00 0.00 C ATOM 94 CE2 PHE A 541 -5.108 4.477 12.431 1.00 0.00 C ATOM 95 CZ PHE A 541 -5.001 3.171 12.866 1.00 0.00 C ATOM 0 H PHE A 541 -7.242 4.286 6.249 1.00 0.00 H new ATOM 0 HA PHE A 541 -5.058 3.992 8.177 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.275 5.092 9.164 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.876 3.447 9.095 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.576 1.629 10.319 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.825 5.781 10.901 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -5.446 1.124 12.441 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.695 5.280 13.024 1.00 0.00 H new ATOM 0 HZ PHE A 541 -4.506 2.951 13.800 1.00 0.00 H new ATOM 105 N VAL A 542 -5.148 1.555 7.774 1.00 0.00 N ATOM 106 CA VAL A 542 -5.125 0.138 7.434 1.00 0.00 C ATOM 107 C VAL A 542 -4.958 -0.724 8.680 1.00 0.00 C ATOM 108 O VAL A 542 -4.300 -0.324 9.641 1.00 0.00 O ATOM 109 CB VAL A 542 -3.988 -0.183 6.445 1.00 0.00 C ATOM 110 CG1 VAL A 542 -4.162 -1.580 5.867 1.00 0.00 C ATOM 111 CG2 VAL A 542 -3.936 0.858 5.338 1.00 0.00 C ATOM 0 H VAL A 542 -4.292 1.898 8.210 1.00 0.00 H new ATOM 0 HA VAL A 542 -6.082 -0.090 6.964 1.00 0.00 H new ATOM 0 HB VAL A 542 -3.041 -0.154 6.984 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.350 -1.789 5.171 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -4.146 -2.312 6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -5.115 -1.640 5.342 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -3.127 0.616 4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -4.883 0.863 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.760 1.842 5.772 1.00 0.00 H new ATOM 121 N ARG A 543 -5.557 -1.910 8.657 1.00 0.00 N ATOM 122 CA ARG A 543 -5.475 -2.830 9.786 1.00 0.00 C ATOM 123 C ARG A 543 -5.319 -4.269 9.305 1.00 0.00 C ATOM 124 O ARG A 543 -5.658 -4.594 8.167 1.00 0.00 O ATOM 125 CB ARG A 543 -6.722 -2.706 10.663 1.00 0.00 C ATOM 126 CG ARG A 543 -6.609 -1.634 11.735 1.00 0.00 C ATOM 127 CD ARG A 543 -7.636 -1.839 12.838 1.00 0.00 C ATOM 128 NE ARG A 543 -8.983 -1.475 12.406 1.00 0.00 N ATOM 129 CZ ARG A 543 -10.038 -1.475 13.213 1.00 0.00 C ATOM 130 NH1 ARG A 543 -9.903 -1.817 14.487 1.00 0.00 N ATOM 131 NH2 ARG A 543 -11.232 -1.132 12.746 1.00 0.00 N ATOM 0 H ARG A 543 -6.104 -2.257 7.869 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.597 -2.566 10.375 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.581 -2.485 10.029 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -6.917 -3.666 11.141 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.606 -1.649 12.162 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -6.748 -0.651 11.285 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -7.626 -2.882 13.153 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -7.360 -1.241 13.706 1.00 0.00 H new ATOM 0 HE ARG A 543 -9.121 -1.206 11.432 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -8.987 -2.081 14.850 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -10.715 -1.816 15.104 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -11.340 -0.868 11.767 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -12.042 -1.132 13.366 1.00 0.00 H new ATOM 145 N ASN A 544 -4.804 -5.127 10.179 1.00 0.00 N ATOM 146 CA ASN A 544 -4.602 -6.532 9.843 1.00 0.00 C ATOM 147 C ASN A 544 -3.464 -6.693 8.840 1.00 0.00 C ATOM 148 O ASN A 544 -3.563 -7.472 7.891 1.00 0.00 O ATOM 149 CB ASN A 544 -5.889 -7.131 9.271 1.00 0.00 C ATOM 150 CG ASN A 544 -5.910 -8.645 9.359 1.00 0.00 C ATOM 151 OD1 ASN A 544 -6.497 -9.217 10.278 1.00 0.00 O ATOM 152 ND2 ASN A 544 -5.268 -9.302 8.400 1.00 0.00 N ATOM 0 H ASN A 544 -4.519 -4.874 11.125 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.336 -7.064 10.756 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.746 -6.726 9.810 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -5.996 -6.829 8.229 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -5.248 -10.322 8.406 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -4.795 -8.787 7.658 1.00 0.00 H new ATOM 159 N LEU A 545 -2.382 -5.953 9.056 1.00 0.00 N ATOM 160 CA LEU A 545 -1.224 -6.013 8.172 1.00 0.00 C ATOM 161 C LEU A 545 -0.200 -7.022 8.684 1.00 0.00 C ATOM 162 O LEU A 545 -0.015 -7.199 9.888 1.00 0.00 O ATOM 163 CB LEU A 545 -0.578 -4.632 8.050 1.00 0.00 C ATOM 164 CG LEU A 545 -1.343 -3.605 7.214 1.00 0.00 C ATOM 165 CD1 LEU A 545 -0.802 -2.206 7.463 1.00 0.00 C ATOM 166 CD2 LEU A 545 -1.263 -3.955 5.736 1.00 0.00 C ATOM 0 H LEU A 545 -2.283 -5.304 9.837 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.565 -6.336 7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.443 -4.226 9.053 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.416 -4.754 7.619 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.390 -3.626 7.515 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.358 -1.488 6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -0.912 -1.956 8.518 1.00 0.00 H new ATOM 0 HD13 LEU A 545 0.253 -2.170 7.190 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.813 -3.214 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 545 -0.220 -3.962 5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.699 -4.940 5.571 1.00 0.00 H new ATOM 178 N PRO A 546 0.483 -7.699 7.749 1.00 0.00 N ATOM 179 CA PRO A 546 1.501 -8.699 8.082 1.00 0.00 C ATOM 180 C PRO A 546 2.754 -8.073 8.684 1.00 0.00 C ATOM 181 O PRO A 546 3.307 -7.118 8.138 1.00 0.00 O ATOM 182 CB PRO A 546 1.822 -9.342 6.730 1.00 0.00 C ATOM 183 CG PRO A 546 1.479 -8.299 5.723 1.00 0.00 C ATOM 184 CD PRO A 546 0.314 -7.539 6.295 1.00 0.00 C ATOM 0 HA PRO A 546 1.147 -9.406 8.833 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.873 -9.624 6.665 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.238 -10.249 6.575 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.326 -7.637 5.543 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.218 -8.751 4.766 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.336 -6.490 6.001 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.638 -7.946 5.954 1.00 0.00 H new ATOM 192 N PHE A 547 3.199 -8.617 9.812 1.00 0.00 N ATOM 193 CA PHE A 547 4.387 -8.111 10.489 1.00 0.00 C ATOM 194 C PHE A 547 5.416 -7.610 9.479 1.00 0.00 C ATOM 195 O PHE A 547 5.745 -6.424 9.449 1.00 0.00 O ATOM 196 CB PHE A 547 5.005 -9.203 11.364 1.00 0.00 C ATOM 197 CG PHE A 547 4.161 -9.569 12.552 1.00 0.00 C ATOM 198 CD1 PHE A 547 3.678 -8.588 13.404 1.00 0.00 C ATOM 199 CD2 PHE A 547 3.850 -10.893 12.816 1.00 0.00 C ATOM 200 CE1 PHE A 547 2.901 -8.921 14.497 1.00 0.00 C ATOM 201 CE2 PHE A 547 3.073 -11.232 13.907 1.00 0.00 C ATOM 202 CZ PHE A 547 2.599 -10.245 14.749 1.00 0.00 C ATOM 0 H PHE A 547 2.754 -9.409 10.277 1.00 0.00 H new ATOM 0 HA PHE A 547 4.087 -7.275 11.121 1.00 0.00 H new ATOM 0 HB2 PHE A 547 5.170 -10.093 10.757 1.00 0.00 H new ATOM 0 HB3 PHE A 547 5.982 -8.869 11.712 1.00 0.00 H new ATOM 0 HD1 PHE A 547 3.912 -7.551 13.211 1.00 0.00 H new ATOM 0 HD2 PHE A 547 4.219 -11.669 12.162 1.00 0.00 H new ATOM 0 HE1 PHE A 547 2.530 -8.147 15.153 1.00 0.00 H new ATOM 0 HE2 PHE A 547 2.836 -12.268 14.101 1.00 0.00 H new ATOM 0 HZ PHE A 547 1.993 -10.508 15.603 1.00 0.00 H new ATOM 212 N ASP A 548 5.920 -8.522 8.656 1.00 0.00 N ATOM 213 CA ASP A 548 6.911 -8.173 7.644 1.00 0.00 C ATOM 214 C ASP A 548 6.659 -6.772 7.096 1.00 0.00 C ATOM 215 O ASP A 548 7.572 -5.950 7.022 1.00 0.00 O ATOM 216 CB ASP A 548 6.888 -9.193 6.504 1.00 0.00 C ATOM 217 CG ASP A 548 6.629 -10.604 6.994 1.00 0.00 C ATOM 218 OD1 ASP A 548 7.360 -11.061 7.897 1.00 0.00 O ATOM 219 OD2 ASP A 548 5.695 -11.251 6.474 1.00 0.00 O ATOM 0 H ASP A 548 5.659 -9.508 8.669 1.00 0.00 H new ATOM 0 HA ASP A 548 7.894 -8.187 8.114 1.00 0.00 H new ATOM 0 HB2 ASP A 548 6.117 -8.914 5.786 1.00 0.00 H new ATOM 0 HB3 ASP A 548 7.841 -9.164 5.976 1.00 0.00 H new ATOM 224 N PHE A 549 5.415 -6.508 6.712 1.00 0.00 N ATOM 225 CA PHE A 549 5.043 -5.207 6.168 1.00 0.00 C ATOM 226 C PHE A 549 5.823 -4.088 6.852 1.00 0.00 C ATOM 227 O PHE A 549 5.512 -3.696 7.977 1.00 0.00 O ATOM 228 CB PHE A 549 3.540 -4.972 6.335 1.00 0.00 C ATOM 229 CG PHE A 549 2.947 -4.104 5.262 1.00 0.00 C ATOM 230 CD1 PHE A 549 2.667 -4.624 4.008 1.00 0.00 C ATOM 231 CD2 PHE A 549 2.668 -2.769 5.507 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.121 -3.828 3.019 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.122 -1.968 4.521 1.00 0.00 C ATOM 234 CZ PHE A 549 1.847 -2.499 3.276 1.00 0.00 C ATOM 0 H PHE A 549 4.647 -7.177 6.767 1.00 0.00 H new ATOM 0 HA PHE A 549 5.289 -5.201 5.106 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.028 -5.934 6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.358 -4.511 7.306 1.00 0.00 H new ATOM 0 HD1 PHE A 549 2.878 -5.663 3.802 1.00 0.00 H new ATOM 0 HD2 PHE A 549 2.879 -2.349 6.479 1.00 0.00 H new ATOM 0 HE1 PHE A 549 1.909 -4.245 2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 549 1.911 -0.929 4.724 1.00 0.00 H new ATOM 0 HZ PHE A 549 1.418 -1.876 2.505 1.00 0.00 H new ATOM 244 N THR A 550 6.840 -3.578 6.165 1.00 0.00 N ATOM 245 CA THR A 550 7.667 -2.506 6.705 1.00 0.00 C ATOM 246 C THR A 550 7.203 -1.145 6.198 1.00 0.00 C ATOM 247 O THR A 550 6.646 -1.037 5.106 1.00 0.00 O ATOM 248 CB THR A 550 9.150 -2.701 6.337 1.00 0.00 C ATOM 249 OG1 THR A 550 9.309 -2.675 4.914 1.00 0.00 O ATOM 250 CG2 THR A 550 9.676 -4.018 6.888 1.00 0.00 C ATOM 0 H THR A 550 7.111 -3.890 5.233 1.00 0.00 H new ATOM 0 HA THR A 550 7.562 -2.541 7.789 1.00 0.00 H new ATOM 0 HB THR A 550 9.722 -1.886 6.781 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.255 -2.798 4.688 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.725 -4.133 6.615 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.581 -4.022 7.974 1.00 0.00 H new ATOM 0 HG23 THR A 550 9.100 -4.843 6.470 1.00 0.00 H new ATOM 258 N TRP A 551 7.438 -0.111 6.997 1.00 0.00 N ATOM 259 CA TRP A 551 7.044 1.244 6.628 1.00 0.00 C ATOM 260 C TRP A 551 7.273 1.491 5.141 1.00 0.00 C ATOM 261 O TRP A 551 6.401 2.015 4.447 1.00 0.00 O ATOM 262 CB TRP A 551 7.825 2.267 7.454 1.00 0.00 C ATOM 263 CG TRP A 551 9.289 2.297 7.133 1.00 0.00 C ATOM 264 CD1 TRP A 551 10.262 1.500 7.668 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.946 3.168 6.206 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.483 1.824 7.128 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.316 2.843 6.228 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.509 4.188 5.357 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.251 3.504 5.436 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.438 4.844 4.571 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.795 4.500 4.614 1.00 0.00 C ATOM 0 H TRP A 551 7.899 -0.184 7.904 1.00 0.00 H new ATOM 0 HA TRP A 551 5.980 1.356 6.836 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.403 3.258 7.285 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.697 2.042 8.513 1.00 0.00 H new ATOM 0 HD1 TRP A 551 10.096 0.729 8.406 1.00 0.00 H new ATOM 0 HE1 TRP A 551 12.370 1.378 7.360 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.464 4.459 5.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.298 3.241 5.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 10.112 5.635 3.912 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.496 5.031 3.986 1.00 0.00 H new ATOM 282 N LYS A 552 8.451 1.112 4.657 1.00 0.00 N ATOM 283 CA LYS A 552 8.795 1.291 3.252 1.00 0.00 C ATOM 284 C LYS A 552 7.675 0.783 2.349 1.00 0.00 C ATOM 285 O LYS A 552 7.224 1.489 1.447 1.00 0.00 O ATOM 286 CB LYS A 552 10.098 0.558 2.927 1.00 0.00 C ATOM 287 CG LYS A 552 11.340 1.411 3.120 1.00 0.00 C ATOM 288 CD LYS A 552 12.582 0.716 2.590 1.00 0.00 C ATOM 289 CE LYS A 552 13.655 1.719 2.191 1.00 0.00 C ATOM 290 NZ LYS A 552 13.406 2.287 0.837 1.00 0.00 N ATOM 0 H LYS A 552 9.184 0.678 5.218 1.00 0.00 H new ATOM 0 HA LYS A 552 8.930 2.357 3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 552 10.174 -0.328 3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 552 10.062 0.211 1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 552 11.210 2.365 2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 552 11.470 1.632 4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 552 12.977 0.043 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 552 12.317 0.103 1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 552 13.688 2.526 2.923 1.00 0.00 H new ATOM 0 HE3 LYS A 552 14.631 1.233 2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 14.158 2.966 0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 13.399 1.520 0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 12.486 2.773 0.828 1.00 0.00 H new ATOM 304 N MET A 553 7.231 -0.444 2.599 1.00 0.00 N ATOM 305 CA MET A 553 6.161 -1.045 1.809 1.00 0.00 C ATOM 306 C MET A 553 4.934 -0.140 1.779 1.00 0.00 C ATOM 307 O MET A 553 4.518 0.324 0.717 1.00 0.00 O ATOM 308 CB MET A 553 5.786 -2.415 2.378 1.00 0.00 C ATOM 309 CG MET A 553 6.901 -3.443 2.271 1.00 0.00 C ATOM 310 SD MET A 553 6.887 -4.320 0.696 1.00 0.00 S ATOM 311 CE MET A 553 5.439 -5.354 0.896 1.00 0.00 C ATOM 0 H MET A 553 7.594 -1.042 3.341 1.00 0.00 H new ATOM 0 HA MET A 553 6.523 -1.171 0.788 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.508 -2.300 3.426 1.00 0.00 H new ATOM 0 HB3 MET A 553 4.907 -2.789 1.854 1.00 0.00 H new ATOM 0 HG2 MET A 553 7.862 -2.945 2.397 1.00 0.00 H new ATOM 0 HG3 MET A 553 6.806 -4.163 3.084 1.00 0.00 H new ATOM 0 HE1 MET A 553 5.505 -6.207 0.221 1.00 0.00 H new ATOM 0 HE2 MET A 553 5.385 -5.709 1.925 1.00 0.00 H new ATOM 0 HE3 MET A 553 4.544 -4.776 0.664 1.00 0.00 H new ATOM 321 N LEU A 554 4.357 0.106 2.951 1.00 0.00 N ATOM 322 CA LEU A 554 3.176 0.955 3.058 1.00 0.00 C ATOM 323 C LEU A 554 3.247 2.115 2.071 1.00 0.00 C ATOM 324 O LEU A 554 2.270 2.426 1.390 1.00 0.00 O ATOM 325 CB LEU A 554 3.039 1.492 4.484 1.00 0.00 C ATOM 326 CG LEU A 554 1.772 2.298 4.779 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.544 1.405 4.709 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.871 2.967 6.142 1.00 0.00 C ATOM 0 H LEU A 554 4.688 -0.270 3.839 1.00 0.00 H new ATOM 0 HA LEU A 554 2.301 0.351 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 554 3.078 0.649 5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.903 2.120 4.699 1.00 0.00 H new ATOM 0 HG LEU A 554 1.674 3.076 4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.348 1.995 4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.464 0.974 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.633 0.605 5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.961 3.536 6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 554 1.994 2.206 6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.729 3.639 6.156 1.00 0.00 H new ATOM 340 N LYS A 555 4.412 2.751 1.996 1.00 0.00 N ATOM 341 CA LYS A 555 4.613 3.875 1.089 1.00 0.00 C ATOM 342 C LYS A 555 4.640 3.405 -0.362 1.00 0.00 C ATOM 343 O LYS A 555 3.694 3.636 -1.117 1.00 0.00 O ATOM 344 CB LYS A 555 5.919 4.600 1.425 1.00 0.00 C ATOM 345 CG LYS A 555 6.322 5.636 0.390 1.00 0.00 C ATOM 346 CD LYS A 555 7.803 5.965 0.479 1.00 0.00 C ATOM 347 CE LYS A 555 8.090 7.377 -0.008 1.00 0.00 C ATOM 348 NZ LYS A 555 9.536 7.718 0.101 1.00 0.00 N ATOM 0 H LYS A 555 5.231 2.507 2.553 1.00 0.00 H new ATOM 0 HA LYS A 555 3.778 4.565 1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.815 5.088 2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.718 3.865 1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 555 6.090 5.264 -0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.737 6.544 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 555 8.139 5.859 1.511 1.00 0.00 H new ATOM 0 HD3 LYS A 555 8.372 5.251 -0.116 1.00 0.00 H new ATOM 0 HE2 LYS A 555 7.771 7.475 -1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 555 7.504 8.088 0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 9.691 8.688 -0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 9.835 7.649 1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 10.093 7.055 -0.475 1.00 0.00 H new ATOM 362 N ASP A 556 5.726 2.744 -0.746 1.00 0.00 N ATOM 363 CA ASP A 556 5.874 2.239 -2.106 1.00 0.00 C ATOM 364 C ASP A 556 4.603 1.529 -2.563 1.00 0.00 C ATOM 365 O ASP A 556 3.960 1.943 -3.527 1.00 0.00 O ATOM 366 CB ASP A 556 7.066 1.284 -2.192 1.00 0.00 C ATOM 367 CG ASP A 556 8.390 2.018 -2.272 1.00 0.00 C ATOM 368 OD1 ASP A 556 8.945 2.360 -1.207 1.00 0.00 O ATOM 369 OD2 ASP A 556 8.872 2.249 -3.400 1.00 0.00 O ATOM 0 H ASP A 556 6.518 2.545 -0.134 1.00 0.00 H new ATOM 0 HA ASP A 556 6.051 3.089 -2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 556 7.068 0.630 -1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 556 6.954 0.646 -3.068 1.00 0.00 H new ATOM 374 N LYS A 557 4.248 0.455 -1.865 1.00 0.00 N ATOM 375 CA LYS A 557 3.055 -0.314 -2.197 1.00 0.00 C ATOM 376 C LYS A 557 1.905 0.608 -2.590 1.00 0.00 C ATOM 377 O LYS A 557 1.280 0.427 -3.635 1.00 0.00 O ATOM 378 CB LYS A 557 2.640 -1.188 -1.012 1.00 0.00 C ATOM 379 CG LYS A 557 1.229 -1.740 -1.127 1.00 0.00 C ATOM 380 CD LYS A 557 1.080 -2.639 -2.343 1.00 0.00 C ATOM 381 CE LYS A 557 1.447 -4.079 -2.020 1.00 0.00 C ATOM 382 NZ LYS A 557 1.929 -4.812 -3.223 1.00 0.00 N ATOM 0 H LYS A 557 4.770 0.098 -1.065 1.00 0.00 H new ATOM 0 HA LYS A 557 3.291 -0.954 -3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.340 -2.019 -0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.719 -0.604 -0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 557 0.982 -2.301 -0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.519 -0.916 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 557 0.053 -2.597 -2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.716 -2.272 -3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 557 2.220 -4.093 -1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.578 -4.591 -1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 2.169 -5.789 -2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 1.182 -4.821 -3.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.773 -4.338 -3.603 1.00 0.00 H new ATOM 396 N PHE A 558 1.632 1.598 -1.746 1.00 0.00 N ATOM 397 CA PHE A 558 0.557 2.549 -2.005 1.00 0.00 C ATOM 398 C PHE A 558 0.987 3.588 -3.037 1.00 0.00 C ATOM 399 O PHE A 558 0.152 4.235 -3.667 1.00 0.00 O ATOM 400 CB PHE A 558 0.140 3.245 -0.708 1.00 0.00 C ATOM 401 CG PHE A 558 -0.779 2.419 0.146 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.402 1.156 0.572 1.00 0.00 C ATOM 403 CD2 PHE A 558 -2.020 2.906 0.523 1.00 0.00 C ATOM 404 CE1 PHE A 558 -1.246 0.394 1.358 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.869 2.149 1.309 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.480 0.891 1.727 1.00 0.00 C ATOM 0 H PHE A 558 2.140 1.762 -0.877 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.294 1.997 -2.403 1.00 0.00 H new ATOM 0 HB2 PHE A 558 1.033 3.491 -0.134 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.352 4.187 -0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.562 0.762 0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.328 3.889 0.199 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.940 -0.589 1.683 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.834 2.540 1.596 1.00 0.00 H new ATOM 0 HZ PHE A 558 -3.140 0.297 2.342 1.00 0.00 H new ATOM 416 N ASN A 559 2.297 3.740 -3.204 1.00 0.00 N ATOM 417 CA ASN A 559 2.839 4.701 -4.158 1.00 0.00 C ATOM 418 C ASN A 559 2.273 4.460 -5.554 1.00 0.00 C ATOM 419 O ASN A 559 2.383 5.312 -6.434 1.00 0.00 O ATOM 420 CB ASN A 559 4.366 4.610 -4.193 1.00 0.00 C ATOM 421 CG ASN A 559 5.003 5.828 -4.834 1.00 0.00 C ATOM 422 OD1 ASN A 559 4.917 6.021 -6.047 1.00 0.00 O ATOM 423 ND2 ASN A 559 5.648 6.656 -4.020 1.00 0.00 N ATOM 0 H ASN A 559 3.002 3.210 -2.692 1.00 0.00 H new ATOM 0 HA ASN A 559 2.548 5.700 -3.834 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.744 4.498 -3.177 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.662 3.717 -4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 559 6.098 7.492 -4.394 1.00 0.00 H new ATOM 0 HD22 ASN A 559 5.694 6.456 -3.021 1.00 0.00 H new ATOM 430 N GLU A 560 1.666 3.293 -5.747 1.00 0.00 N ATOM 431 CA GLU A 560 1.082 2.940 -7.036 1.00 0.00 C ATOM 432 C GLU A 560 -0.217 3.704 -7.272 1.00 0.00 C ATOM 433 O GLU A 560 -0.444 4.244 -8.355 1.00 0.00 O ATOM 434 CB GLU A 560 0.822 1.434 -7.108 1.00 0.00 C ATOM 435 CG GLU A 560 2.084 0.593 -7.014 1.00 0.00 C ATOM 436 CD GLU A 560 1.803 -0.894 -7.117 1.00 0.00 C ATOM 437 OE1 GLU A 560 0.811 -1.265 -7.779 1.00 0.00 O ATOM 438 OE2 GLU A 560 2.574 -1.685 -6.536 1.00 0.00 O ATOM 0 H GLU A 560 1.566 2.577 -5.028 1.00 0.00 H new ATOM 0 HA GLU A 560 1.792 3.216 -7.816 1.00 0.00 H new ATOM 0 HB2 GLU A 560 0.146 1.152 -6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 560 0.313 1.206 -8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 560 2.771 0.885 -7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 560 2.584 0.800 -6.068 1.00 0.00 H new ATOM 445 N CYS A 561 -1.067 3.744 -6.251 1.00 0.00 N ATOM 446 CA CYS A 561 -2.345 4.440 -6.347 1.00 0.00 C ATOM 447 C CYS A 561 -2.138 5.914 -6.683 1.00 0.00 C ATOM 448 O CYS A 561 -2.709 6.429 -7.643 1.00 0.00 O ATOM 449 CB CYS A 561 -3.121 4.308 -5.036 1.00 0.00 C ATOM 450 SG CYS A 561 -4.598 5.346 -4.944 1.00 0.00 S ATOM 0 H CYS A 561 -0.894 3.303 -5.348 1.00 0.00 H new ATOM 0 HA CYS A 561 -2.921 3.980 -7.150 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -3.413 3.266 -4.903 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -2.460 4.562 -4.208 1.00 0.00 H new ATOM 0 HG CYS A 561 -4.492 6.163 -3.938 1.00 0.00 H new ATOM 456 N GLY A 562 -1.317 6.588 -5.883 1.00 0.00 N ATOM 457 CA GLY A 562 -1.050 7.996 -6.110 1.00 0.00 C ATOM 458 C GLY A 562 0.276 8.437 -5.523 1.00 0.00 C ATOM 459 O GLY A 562 1.314 7.832 -5.792 1.00 0.00 O ATOM 0 H GLY A 562 -0.832 6.184 -5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -1.053 8.195 -7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.853 8.590 -5.673 1.00 0.00 H new ATOM 463 N HIS A 563 0.243 9.496 -4.720 1.00 0.00 N ATOM 464 CA HIS A 563 1.452 10.019 -4.094 1.00 0.00 C ATOM 465 C HIS A 563 1.363 9.922 -2.574 1.00 0.00 C ATOM 466 O HIS A 563 0.439 10.456 -1.961 1.00 0.00 O ATOM 467 CB HIS A 563 1.681 11.471 -4.512 1.00 0.00 C ATOM 468 CG HIS A 563 2.939 12.064 -3.954 1.00 0.00 C ATOM 469 ND1 HIS A 563 4.056 12.317 -4.722 1.00 0.00 N ATOM 470 CD2 HIS A 563 3.251 12.456 -2.697 1.00 0.00 C ATOM 471 CE1 HIS A 563 5.002 12.837 -3.961 1.00 0.00 C ATOM 472 NE2 HIS A 563 4.539 12.932 -2.727 1.00 0.00 N ATOM 0 H HIS A 563 -0.608 10.009 -4.488 1.00 0.00 H new ATOM 0 HA HIS A 563 2.295 9.415 -4.430 1.00 0.00 H new ATOM 0 HB2 HIS A 563 1.715 11.526 -5.600 1.00 0.00 H new ATOM 0 HB3 HIS A 563 0.831 12.072 -4.188 1.00 0.00 H new ATOM 0 HD2 HIS A 563 2.607 12.404 -1.831 1.00 0.00 H new ATOM 0 HE1 HIS A 563 5.986 13.134 -4.291 1.00 0.00 H new ATOM 0 HE2 HIS A 563 5.054 13.299 -1.927 1.00 0.00 H new ATOM 481 N VAL A 564 2.329 9.235 -1.972 1.00 0.00 N ATOM 482 CA VAL A 564 2.359 9.069 -0.523 1.00 0.00 C ATOM 483 C VAL A 564 3.182 10.168 0.139 1.00 0.00 C ATOM 484 O VAL A 564 4.331 10.409 -0.234 1.00 0.00 O ATOM 485 CB VAL A 564 2.941 7.698 -0.128 1.00 0.00 C ATOM 486 CG1 VAL A 564 3.076 7.591 1.383 1.00 0.00 C ATOM 487 CG2 VAL A 564 2.074 6.574 -0.675 1.00 0.00 C ATOM 0 H VAL A 564 3.100 8.785 -2.465 1.00 0.00 H new ATOM 0 HA VAL A 564 1.328 9.132 -0.175 1.00 0.00 H new ATOM 0 HB VAL A 564 3.935 7.605 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.489 6.616 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.741 8.375 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 564 2.095 7.705 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.500 5.613 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 564 1.066 6.661 -0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 564 2.034 6.642 -1.762 1.00 0.00 H new ATOM 497 N LEU A 565 2.587 10.832 1.124 1.00 0.00 N ATOM 498 CA LEU A 565 3.265 11.907 1.840 1.00 0.00 C ATOM 499 C LEU A 565 3.751 11.430 3.205 1.00 0.00 C ATOM 500 O LEU A 565 4.866 11.743 3.623 1.00 0.00 O ATOM 501 CB LEU A 565 2.328 13.104 2.009 1.00 0.00 C ATOM 502 CG LEU A 565 1.801 13.731 0.718 1.00 0.00 C ATOM 503 CD1 LEU A 565 0.628 14.654 1.013 1.00 0.00 C ATOM 504 CD2 LEU A 565 2.910 14.488 0.001 1.00 0.00 C ATOM 0 H LEU A 565 1.637 10.645 1.445 1.00 0.00 H new ATOM 0 HA LEU A 565 4.131 12.212 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.475 12.790 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.853 13.874 2.575 1.00 0.00 H new ATOM 0 HG LEU A 565 1.453 12.931 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.266 15.091 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -0.174 14.084 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 565 0.951 15.449 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 565 2.517 14.928 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.289 15.278 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 565 3.720 13.801 -0.245 1.00 0.00 H new ATOM 516 N TYR A 566 2.907 10.670 3.895 1.00 0.00 N ATOM 517 CA TYR A 566 3.250 10.149 5.213 1.00 0.00 C ATOM 518 C TYR A 566 2.900 8.668 5.322 1.00 0.00 C ATOM 519 O TYR A 566 1.823 8.241 4.906 1.00 0.00 O ATOM 520 CB TYR A 566 2.521 10.938 6.301 1.00 0.00 C ATOM 521 CG TYR A 566 2.749 10.400 7.695 1.00 0.00 C ATOM 522 CD1 TYR A 566 4.028 10.333 8.235 1.00 0.00 C ATOM 523 CD2 TYR A 566 1.686 9.959 8.474 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.241 9.841 9.508 1.00 0.00 C ATOM 525 CE2 TYR A 566 1.889 9.467 9.749 1.00 0.00 C ATOM 526 CZ TYR A 566 3.169 9.410 10.261 1.00 0.00 C ATOM 527 OH TYR A 566 3.377 8.920 11.530 1.00 0.00 O ATOM 0 H TYR A 566 1.981 10.401 3.563 1.00 0.00 H new ATOM 0 HA TYR A 566 4.325 10.260 5.351 1.00 0.00 H new ATOM 0 HB2 TYR A 566 2.847 11.978 6.264 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.452 10.931 6.088 1.00 0.00 H new ATOM 0 HD1 TYR A 566 4.870 10.671 7.649 1.00 0.00 H new ATOM 0 HD2 TYR A 566 0.683 10.002 8.076 1.00 0.00 H new ATOM 0 HE1 TYR A 566 5.242 9.794 9.911 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.051 9.129 10.341 1.00 0.00 H new ATOM 0 HH TYR A 566 2.519 8.660 11.925 1.00 0.00 H new ATOM 537 N ALA A 567 3.818 7.890 5.884 1.00 0.00 N ATOM 538 CA ALA A 567 3.607 6.457 6.051 1.00 0.00 C ATOM 539 C ALA A 567 4.332 5.936 7.288 1.00 0.00 C ATOM 540 O ALA A 567 5.557 6.015 7.380 1.00 0.00 O ATOM 541 CB ALA A 567 4.070 5.708 4.811 1.00 0.00 C ATOM 0 H ALA A 567 4.716 8.227 6.232 1.00 0.00 H new ATOM 0 HA ALA A 567 2.539 6.285 6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 567 3.907 4.639 4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.504 6.052 3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 567 5.131 5.895 4.648 1.00 0.00 H new ATOM 547 N ASP A 568 3.568 5.404 8.235 1.00 0.00 N ATOM 548 CA ASP A 568 4.137 4.869 9.466 1.00 0.00 C ATOM 549 C ASP A 568 3.328 3.676 9.966 1.00 0.00 C ATOM 550 O ASP A 568 2.104 3.644 9.831 1.00 0.00 O ATOM 551 CB ASP A 568 4.188 5.954 10.543 1.00 0.00 C ATOM 552 CG ASP A 568 5.211 5.652 11.621 1.00 0.00 C ATOM 553 OD1 ASP A 568 5.095 4.592 12.270 1.00 0.00 O ATOM 554 OD2 ASP A 568 6.129 6.477 11.814 1.00 0.00 O ATOM 0 H ASP A 568 2.552 5.332 8.174 1.00 0.00 H new ATOM 0 HA ASP A 568 5.151 4.532 9.252 1.00 0.00 H new ATOM 0 HB2 ASP A 568 4.425 6.911 10.079 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.203 6.056 10.999 1.00 0.00 H new ATOM 559 N ILE A 569 4.019 2.699 10.543 1.00 0.00 N ATOM 560 CA ILE A 569 3.364 1.505 11.063 1.00 0.00 C ATOM 561 C ILE A 569 3.104 1.628 12.560 1.00 0.00 C ATOM 562 O ILE A 569 3.976 1.338 13.379 1.00 0.00 O ATOM 563 CB ILE A 569 4.206 0.242 10.801 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.450 0.066 9.301 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.515 -0.984 11.379 1.00 0.00 C ATOM 566 CD1 ILE A 569 3.221 -0.374 8.537 1.00 0.00 C ATOM 0 H ILE A 569 5.032 2.711 10.662 1.00 0.00 H new ATOM 0 HA ILE A 569 2.413 1.413 10.538 1.00 0.00 H new ATOM 0 HB ILE A 569 5.171 0.358 11.295 1.00 0.00 H new ATOM 0 HG12 ILE A 569 4.808 1.008 8.886 1.00 0.00 H new ATOM 0 HG13 ILE A 569 5.242 -0.668 9.154 1.00 0.00 H new ATOM 0 HG21 ILE A 569 4.122 -1.869 11.186 1.00 0.00 H new ATOM 0 HG22 ILE A 569 3.389 -0.858 12.454 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.538 -1.105 10.911 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.468 -0.479 7.480 1.00 0.00 H new ATOM 0 HD12 ILE A 569 2.875 -1.332 8.925 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.434 0.371 8.654 1.00 0.00 H new ATOM 578 N LYS A 570 1.898 2.059 12.912 1.00 0.00 N ATOM 579 CA LYS A 570 1.520 2.218 14.311 1.00 0.00 C ATOM 580 C LYS A 570 2.066 1.072 15.156 1.00 0.00 C ATOM 581 O LYS A 570 1.531 -0.035 15.138 1.00 0.00 O ATOM 582 CB LYS A 570 -0.003 2.283 14.445 1.00 0.00 C ATOM 583 CG LYS A 570 -0.631 3.447 13.697 1.00 0.00 C ATOM 584 CD LYS A 570 -0.681 4.700 14.556 1.00 0.00 C ATOM 585 CE LYS A 570 -1.466 5.811 13.875 1.00 0.00 C ATOM 586 NZ LYS A 570 -1.503 7.049 14.701 1.00 0.00 N ATOM 0 H LYS A 570 1.165 2.305 12.247 1.00 0.00 H new ATOM 0 HA LYS A 570 1.951 3.151 14.674 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.432 1.351 14.076 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -0.264 2.358 15.501 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -0.060 3.649 12.791 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -1.640 3.178 13.385 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -1.139 4.466 15.517 1.00 0.00 H new ATOM 0 HD3 LYS A 570 0.333 5.043 14.761 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -1.016 6.033 12.907 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -2.484 5.472 13.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -2.047 7.782 14.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -1.955 6.843 15.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 -0.533 7.387 14.863 1.00 0.00 H new ATOM 686 N LYS A 577 1.502 -3.703 15.389 1.00 0.00 N ATOM 687 CA LYS A 577 0.105 -4.080 15.564 1.00 0.00 C ATOM 688 C LYS A 577 -0.583 -4.259 14.214 1.00 0.00 C ATOM 689 O LYS A 577 -1.799 -4.108 14.101 1.00 0.00 O ATOM 690 CB LYS A 577 -0.631 -3.020 16.387 1.00 0.00 C ATOM 691 CG LYS A 577 0.006 -2.749 17.739 1.00 0.00 C ATOM 692 CD LYS A 577 -0.083 -3.962 18.650 1.00 0.00 C ATOM 693 CE LYS A 577 -1.492 -4.152 19.190 1.00 0.00 C ATOM 694 NZ LYS A 577 -1.852 -3.101 20.182 1.00 0.00 N ATOM 0 HA LYS A 577 0.075 -5.031 16.097 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -0.666 -2.091 15.819 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -1.662 -3.341 16.538 1.00 0.00 H new ATOM 0 HG2 LYS A 577 1.051 -2.472 17.601 1.00 0.00 H new ATOM 0 HG3 LYS A 577 -0.489 -1.901 18.212 1.00 0.00 H new ATOM 0 HD2 LYS A 577 0.221 -4.853 18.101 1.00 0.00 H new ATOM 0 HD3 LYS A 577 0.613 -3.846 19.480 1.00 0.00 H new ATOM 0 HE2 LYS A 577 -2.203 -4.131 18.364 1.00 0.00 H new ATOM 0 HE3 LYS A 577 -1.573 -5.134 19.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 -2.698 -3.397 20.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 -1.062 -2.963 20.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -2.048 -2.208 19.686 1.00 0.00 H new ATOM 708 N GLY A 578 0.203 -4.584 13.193 1.00 0.00 N ATOM 709 CA GLY A 578 -0.349 -4.780 11.865 1.00 0.00 C ATOM 710 C GLY A 578 -1.342 -3.699 11.484 1.00 0.00 C ATOM 711 O GLY A 578 -2.465 -3.995 11.075 1.00 0.00 O ATOM 0 H GLY A 578 1.212 -4.715 13.261 1.00 0.00 H new ATOM 0 HA2 GLY A 578 0.462 -4.797 11.137 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -0.840 -5.752 11.819 1.00 0.00 H new ATOM 715 N CYS A 579 -0.928 -2.444 11.620 1.00 0.00 N ATOM 716 CA CYS A 579 -1.791 -1.315 11.290 1.00 0.00 C ATOM 717 C CYS A 579 -0.969 -0.050 11.070 1.00 0.00 C ATOM 718 O CYS A 579 0.117 0.103 11.629 1.00 0.00 O ATOM 719 CB CYS A 579 -2.815 -1.086 12.403 1.00 0.00 C ATOM 720 SG CYS A 579 -2.086 -0.862 14.042 1.00 0.00 S ATOM 0 H CYS A 579 -0.001 -2.183 11.956 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.318 -1.550 10.365 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -3.411 -0.206 12.159 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.498 -1.935 12.434 1.00 0.00 H new ATOM 0 HG CYS A 579 -3.031 -0.673 14.915 1.00 0.00 H new ATOM 726 N GLY A 580 -1.494 0.856 10.250 1.00 0.00 N ATOM 727 CA GLY A 580 -0.795 2.096 9.969 1.00 0.00 C ATOM 728 C GLY A 580 -1.671 3.107 9.255 1.00 0.00 C ATOM 729 O GLY A 580 -2.859 2.868 9.041 1.00 0.00 O ATOM 0 H GLY A 580 -2.391 0.753 9.776 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.436 2.527 10.904 1.00 0.00 H new ATOM 0 HA3 GLY A 580 0.082 1.884 9.358 1.00 0.00 H new ATOM 733 N VAL A 581 -1.084 4.241 8.887 1.00 0.00 N ATOM 734 CA VAL A 581 -1.818 5.292 8.194 1.00 0.00 C ATOM 735 C VAL A 581 -1.080 5.743 6.939 1.00 0.00 C ATOM 736 O VAL A 581 0.140 5.606 6.840 1.00 0.00 O ATOM 737 CB VAL A 581 -2.049 6.511 9.106 1.00 0.00 C ATOM 738 CG1 VAL A 581 -3.221 6.263 10.044 1.00 0.00 C ATOM 739 CG2 VAL A 581 -0.787 6.835 9.891 1.00 0.00 C ATOM 0 H VAL A 581 -0.101 4.455 9.058 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.783 4.870 7.913 1.00 0.00 H new ATOM 0 HB VAL A 581 -2.291 7.370 8.480 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -3.369 7.135 10.680 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -4.123 6.083 9.459 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -3.012 5.392 10.665 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -0.968 7.699 10.530 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.512 5.979 10.507 1.00 0.00 H new ATOM 0 HG23 VAL A 581 0.024 7.059 9.199 1.00 0.00 H new ATOM 749 N VAL A 582 -1.827 6.283 5.981 1.00 0.00 N ATOM 750 CA VAL A 582 -1.243 6.756 4.731 1.00 0.00 C ATOM 751 C VAL A 582 -1.947 8.015 4.238 1.00 0.00 C ATOM 752 O VAL A 582 -3.168 8.038 4.082 1.00 0.00 O ATOM 753 CB VAL A 582 -1.316 5.678 3.634 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.829 6.234 2.305 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.508 4.453 4.036 1.00 0.00 C ATOM 0 H VAL A 582 -2.838 6.404 6.047 1.00 0.00 H new ATOM 0 HA VAL A 582 -0.197 6.984 4.937 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.357 5.376 3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.888 5.458 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.454 7.078 2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.204 6.565 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.571 3.701 3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.534 4.737 4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -0.907 4.042 4.963 1.00 0.00 H new ATOM 765 N LYS A 583 -1.168 9.064 3.993 1.00 0.00 N ATOM 766 CA LYS A 583 -1.715 10.328 3.516 1.00 0.00 C ATOM 767 C LYS A 583 -1.399 10.534 2.038 1.00 0.00 C ATOM 768 O LYS A 583 -0.497 9.899 1.491 1.00 0.00 O ATOM 769 CB LYS A 583 -1.152 11.493 4.335 1.00 0.00 C ATOM 770 CG LYS A 583 -2.008 11.861 5.534 1.00 0.00 C ATOM 771 CD LYS A 583 -1.167 12.436 6.663 1.00 0.00 C ATOM 772 CE LYS A 583 -1.916 12.405 7.986 1.00 0.00 C ATOM 773 NZ LYS A 583 -1.496 13.515 8.887 1.00 0.00 N ATOM 0 H LYS A 583 -0.156 9.063 4.117 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.798 10.295 3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 583 -0.151 11.234 4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -1.051 12.365 3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -2.763 12.588 5.234 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -2.539 10.978 5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 583 -0.241 11.868 6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -0.889 13.463 6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 583 -2.987 12.475 7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 583 -1.741 11.450 8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -2.029 13.459 9.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -0.479 13.434 9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 -1.687 14.427 8.426 1.00 0.00 H new ATOM 787 N PHE A 584 -2.147 11.425 1.396 1.00 0.00 N ATOM 788 CA PHE A 584 -1.947 11.715 -0.019 1.00 0.00 C ATOM 789 C PHE A 584 -2.016 13.216 -0.282 1.00 0.00 C ATOM 790 O PHE A 584 -2.311 14.001 0.618 1.00 0.00 O ATOM 791 CB PHE A 584 -2.996 10.989 -0.864 1.00 0.00 C ATOM 792 CG PHE A 584 -2.869 9.493 -0.822 1.00 0.00 C ATOM 793 CD1 PHE A 584 -2.070 8.826 -1.737 1.00 0.00 C ATOM 794 CD2 PHE A 584 -3.548 8.753 0.132 1.00 0.00 C ATOM 795 CE1 PHE A 584 -1.950 7.450 -1.701 1.00 0.00 C ATOM 796 CE2 PHE A 584 -3.432 7.376 0.174 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.633 6.724 -0.745 1.00 0.00 C ATOM 0 H PHE A 584 -2.898 11.959 1.834 1.00 0.00 H new ATOM 0 HA PHE A 584 -0.955 11.360 -0.300 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -3.990 11.271 -0.516 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -2.913 11.324 -1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -1.535 9.389 -2.487 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -4.176 9.258 0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -1.323 6.943 -2.419 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -3.965 6.811 0.924 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.543 5.648 -0.716 1.00 0.00 H new ATOM 807 N GLU A 585 -1.741 13.607 -1.523 1.00 0.00 N ATOM 808 CA GLU A 585 -1.770 15.014 -1.904 1.00 0.00 C ATOM 809 C GLU A 585 -3.204 15.488 -2.124 1.00 0.00 C ATOM 810 O GLU A 585 -3.572 16.592 -1.722 1.00 0.00 O ATOM 811 CB GLU A 585 -0.947 15.238 -3.175 1.00 0.00 C ATOM 812 CG GLU A 585 0.548 15.334 -2.922 1.00 0.00 C ATOM 813 CD GLU A 585 1.301 15.932 -4.094 1.00 0.00 C ATOM 814 OE1 GLU A 585 0.836 15.773 -5.242 1.00 0.00 O ATOM 815 OE2 GLU A 585 2.356 16.560 -3.863 1.00 0.00 O ATOM 0 H GLU A 585 -1.496 12.970 -2.281 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.334 15.594 -1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -1.138 14.420 -3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.285 16.154 -3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.724 15.941 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 585 0.942 14.340 -2.711 1.00 0.00 H new ATOM 822 N SER A 586 -4.008 14.646 -2.765 1.00 0.00 N ATOM 823 CA SER A 586 -5.400 14.980 -3.042 1.00 0.00 C ATOM 824 C SER A 586 -6.343 14.089 -2.239 1.00 0.00 C ATOM 825 O SER A 586 -6.004 12.969 -1.856 1.00 0.00 O ATOM 826 CB SER A 586 -5.693 14.836 -4.537 1.00 0.00 C ATOM 827 OG SER A 586 -5.391 16.032 -5.233 1.00 0.00 O ATOM 0 H SER A 586 -3.719 13.728 -3.102 1.00 0.00 H new ATOM 0 HA SER A 586 -5.566 16.015 -2.744 1.00 0.00 H new ATOM 0 HB2 SER A 586 -5.107 14.014 -4.948 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.743 14.582 -4.682 1.00 0.00 H new ATOM 0 HG SER A 586 -5.585 15.914 -6.186 1.00 0.00 H new ATOM 833 N PRO A 587 -7.556 14.597 -1.977 1.00 0.00 N ATOM 834 CA PRO A 587 -8.574 13.864 -1.218 1.00 0.00 C ATOM 835 C PRO A 587 -9.131 12.675 -1.993 1.00 0.00 C ATOM 836 O PRO A 587 -9.472 11.647 -1.409 1.00 0.00 O ATOM 837 CB PRO A 587 -9.666 14.911 -0.988 1.00 0.00 C ATOM 838 CG PRO A 587 -9.501 15.883 -2.104 1.00 0.00 C ATOM 839 CD PRO A 587 -8.028 15.925 -2.403 1.00 0.00 C ATOM 0 HA PRO A 587 -8.170 13.440 -0.299 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.657 14.458 -1.001 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.550 15.397 -0.019 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -10.068 15.570 -2.981 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -9.870 16.869 -1.821 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -7.838 16.099 -3.462 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.529 16.724 -1.854 1.00 0.00 H new ATOM 847 N GLU A 588 -9.220 12.823 -3.311 1.00 0.00 N ATOM 848 CA GLU A 588 -9.736 11.760 -4.165 1.00 0.00 C ATOM 849 C GLU A 588 -8.813 10.545 -4.141 1.00 0.00 C ATOM 850 O GLU A 588 -9.271 9.402 -4.143 1.00 0.00 O ATOM 851 CB GLU A 588 -9.898 12.262 -5.602 1.00 0.00 C ATOM 852 CG GLU A 588 -8.610 12.787 -6.212 1.00 0.00 C ATOM 853 CD GLU A 588 -8.803 13.310 -7.622 1.00 0.00 C ATOM 854 OE1 GLU A 588 -9.772 14.065 -7.848 1.00 0.00 O ATOM 855 OE2 GLU A 588 -7.984 12.965 -8.499 1.00 0.00 O ATOM 0 H GLU A 588 -8.942 13.668 -3.810 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.711 11.462 -3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.278 11.449 -6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -10.647 13.053 -5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -8.214 13.585 -5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -7.866 11.990 -6.223 1.00 0.00 H new ATOM 862 N VAL A 589 -7.509 10.801 -4.119 1.00 0.00 N ATOM 863 CA VAL A 589 -6.520 9.730 -4.094 1.00 0.00 C ATOM 864 C VAL A 589 -6.543 8.992 -2.760 1.00 0.00 C ATOM 865 O VAL A 589 -6.346 7.778 -2.707 1.00 0.00 O ATOM 866 CB VAL A 589 -5.100 10.271 -4.344 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.093 9.132 -4.383 1.00 0.00 C ATOM 868 CG2 VAL A 589 -5.057 11.076 -5.634 1.00 0.00 C ATOM 0 H VAL A 589 -7.113 11.741 -4.118 1.00 0.00 H new ATOM 0 HA VAL A 589 -6.783 9.038 -4.894 1.00 0.00 H new ATOM 0 HB VAL A 589 -4.832 10.932 -3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -3.096 9.534 -4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.106 8.602 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.354 8.443 -5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -4.046 11.451 -5.795 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.346 10.439 -6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.748 11.916 -5.562 1.00 0.00 H new ATOM 878 N ALA A 590 -6.785 9.734 -1.684 1.00 0.00 N ATOM 879 CA ALA A 590 -6.836 9.149 -0.350 1.00 0.00 C ATOM 880 C ALA A 590 -7.919 8.079 -0.260 1.00 0.00 C ATOM 881 O ALA A 590 -7.676 6.978 0.232 1.00 0.00 O ATOM 882 CB ALA A 590 -7.074 10.233 0.692 1.00 0.00 C ATOM 0 H ALA A 590 -6.949 10.740 -1.710 1.00 0.00 H new ATOM 0 HA ALA A 590 -5.876 8.673 -0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.110 9.783 1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.263 10.960 0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.020 10.734 0.486 1.00 0.00 H new ATOM 888 N GLU A 591 -9.114 8.412 -0.738 1.00 0.00 N ATOM 889 CA GLU A 591 -10.234 7.479 -0.710 1.00 0.00 C ATOM 890 C GLU A 591 -10.131 6.470 -1.850 1.00 0.00 C ATOM 891 O GLU A 591 -10.665 5.364 -1.765 1.00 0.00 O ATOM 892 CB GLU A 591 -11.560 8.236 -0.802 1.00 0.00 C ATOM 893 CG GLU A 591 -12.052 8.431 -2.227 1.00 0.00 C ATOM 894 CD GLU A 591 -12.919 9.665 -2.380 1.00 0.00 C ATOM 895 OE1 GLU A 591 -12.360 10.781 -2.426 1.00 0.00 O ATOM 896 OE2 GLU A 591 -14.157 9.515 -2.455 1.00 0.00 O ATOM 0 H GLU A 591 -9.331 9.320 -1.149 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.198 6.937 0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.318 7.695 -0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.445 9.212 -0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.195 8.508 -2.896 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.619 7.553 -2.535 1.00 0.00 H new ATOM 903 N ARG A 592 -9.441 6.861 -2.917 1.00 0.00 N ATOM 904 CA ARG A 592 -9.269 5.993 -4.076 1.00 0.00 C ATOM 905 C ARG A 592 -8.550 4.704 -3.688 1.00 0.00 C ATOM 906 O ARG A 592 -8.914 3.619 -4.139 1.00 0.00 O ATOM 907 CB ARG A 592 -8.484 6.718 -5.171 1.00 0.00 C ATOM 908 CG ARG A 592 -8.125 5.830 -6.351 1.00 0.00 C ATOM 909 CD ARG A 592 -7.120 6.506 -7.271 1.00 0.00 C ATOM 910 NE ARG A 592 -7.702 7.645 -7.976 1.00 0.00 N ATOM 911 CZ ARG A 592 -6.982 8.559 -8.617 1.00 0.00 C ATOM 912 NH1 ARG A 592 -5.659 8.467 -8.642 1.00 0.00 N ATOM 913 NH2 ARG A 592 -7.584 9.566 -9.235 1.00 0.00 N ATOM 0 H ARG A 592 -8.992 7.773 -3.003 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.258 5.737 -4.457 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.072 7.563 -5.529 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -7.569 7.125 -4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -7.712 4.889 -5.987 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -9.027 5.586 -6.912 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -6.263 6.841 -6.687 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -6.749 5.782 -7.996 1.00 0.00 H new ATOM 0 HE ARG A 592 -8.717 7.744 -7.976 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -5.193 7.693 -8.168 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -5.108 9.170 -9.135 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -8.601 9.640 -9.219 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -7.030 10.267 -9.727 1.00 0.00 H new ATOM 927 N ALA A 593 -7.528 4.833 -2.849 1.00 0.00 N ATOM 928 CA ALA A 593 -6.759 3.679 -2.399 1.00 0.00 C ATOM 929 C ALA A 593 -7.625 2.727 -1.582 1.00 0.00 C ATOM 930 O ALA A 593 -7.374 1.522 -1.545 1.00 0.00 O ATOM 931 CB ALA A 593 -5.556 4.132 -1.585 1.00 0.00 C ATOM 0 H ALA A 593 -7.213 5.725 -2.467 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.407 3.142 -3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.991 3.260 -1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -4.918 4.767 -2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.896 4.694 -0.715 1.00 0.00 H new ATOM 937 N CYS A 594 -8.644 3.275 -0.929 1.00 0.00 N ATOM 938 CA CYS A 594 -9.547 2.473 -0.110 1.00 0.00 C ATOM 939 C CYS A 594 -10.367 1.523 -0.976 1.00 0.00 C ATOM 940 O CYS A 594 -10.909 0.532 -0.487 1.00 0.00 O ATOM 941 CB CYS A 594 -10.478 3.380 0.696 1.00 0.00 C ATOM 942 SG CYS A 594 -9.629 4.416 1.911 1.00 0.00 S ATOM 0 H CYS A 594 -8.866 4.270 -0.950 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.944 1.880 0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -11.028 4.022 0.008 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -11.213 2.762 1.212 1.00 0.00 H new ATOM 0 HG CYS A 594 -8.933 5.325 1.295 1.00 0.00 H new ATOM 948 N ARG A 595 -10.456 1.834 -2.266 1.00 0.00 N ATOM 949 CA ARG A 595 -11.213 1.009 -3.200 1.00 0.00 C ATOM 950 C ARG A 595 -10.308 -0.016 -3.877 1.00 0.00 C ATOM 951 O ARG A 595 -10.704 -1.161 -4.094 1.00 0.00 O ATOM 952 CB ARG A 595 -11.887 1.886 -4.256 1.00 0.00 C ATOM 953 CG ARG A 595 -12.969 2.793 -3.694 1.00 0.00 C ATOM 954 CD ARG A 595 -13.449 3.797 -4.731 1.00 0.00 C ATOM 955 NE ARG A 595 -14.390 3.200 -5.676 1.00 0.00 N ATOM 956 CZ ARG A 595 -15.013 3.889 -6.626 1.00 0.00 C ATOM 957 NH1 ARG A 595 -14.797 5.190 -6.757 1.00 0.00 N ATOM 958 NH2 ARG A 595 -15.855 3.275 -7.447 1.00 0.00 N ATOM 0 H ARG A 595 -10.013 2.651 -2.687 1.00 0.00 H new ATOM 0 HA ARG A 595 -11.979 0.476 -2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -11.129 2.498 -4.745 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.323 1.246 -5.023 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -13.810 2.190 -3.354 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -12.584 3.324 -2.823 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -13.925 4.638 -4.228 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -12.592 4.194 -5.275 1.00 0.00 H new ATOM 0 HE ARG A 595 -14.579 2.200 -5.602 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -14.151 5.666 -6.127 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -15.277 5.716 -7.487 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -16.024 2.274 -7.349 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -16.333 3.804 -8.176 1.00 0.00 H new ATOM 972 N MET A 596 -9.091 0.403 -4.208 1.00 0.00 N ATOM 973 CA MET A 596 -8.130 -0.479 -4.859 1.00 0.00 C ATOM 974 C MET A 596 -7.414 -1.354 -3.835 1.00 0.00 C ATOM 975 O MET A 596 -7.376 -2.577 -3.969 1.00 0.00 O ATOM 976 CB MET A 596 -7.108 0.340 -5.651 1.00 0.00 C ATOM 977 CG MET A 596 -7.732 1.211 -6.729 1.00 0.00 C ATOM 978 SD MET A 596 -6.622 1.494 -8.121 1.00 0.00 S ATOM 979 CE MET A 596 -5.313 2.424 -7.327 1.00 0.00 C ATOM 0 H MET A 596 -8.747 1.348 -4.036 1.00 0.00 H new ATOM 0 HA MET A 596 -8.676 -1.126 -5.545 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.549 0.973 -4.962 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.391 -0.338 -6.113 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.646 0.739 -7.088 1.00 0.00 H new ATOM 0 HG3 MET A 596 -8.018 2.170 -6.296 1.00 0.00 H new ATOM 0 HE1 MET A 596 -4.920 3.166 -8.022 1.00 0.00 H new ATOM 0 HE2 MET A 596 -5.708 2.927 -6.444 1.00 0.00 H new ATOM 0 HE3 MET A 596 -4.513 1.746 -7.030 1.00 0.00 H new ATOM 989 N MET A 597 -6.847 -0.719 -2.814 1.00 0.00 N ATOM 990 CA MET A 597 -6.133 -1.441 -1.767 1.00 0.00 C ATOM 991 C MET A 597 -7.063 -2.412 -1.046 1.00 0.00 C ATOM 992 O MET A 597 -6.903 -3.628 -1.145 1.00 0.00 O ATOM 993 CB MET A 597 -5.525 -0.458 -0.765 1.00 0.00 C ATOM 994 CG MET A 597 -4.603 0.568 -1.402 1.00 0.00 C ATOM 995 SD MET A 597 -3.534 -0.149 -2.665 1.00 0.00 S ATOM 996 CE MET A 597 -2.107 -0.604 -1.683 1.00 0.00 C ATOM 0 H MET A 597 -6.868 0.293 -2.690 1.00 0.00 H new ATOM 0 HA MET A 597 -5.332 -2.013 -2.235 1.00 0.00 H new ATOM 0 HB2 MET A 597 -6.330 0.062 -0.245 1.00 0.00 H new ATOM 0 HB3 MET A 597 -4.968 -1.017 -0.013 1.00 0.00 H new ATOM 0 HG2 MET A 597 -5.202 1.363 -1.847 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.988 1.028 -0.629 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.644 -1.496 -2.105 1.00 0.00 H new ATOM 0 HE2 MET A 597 -1.387 0.214 -1.687 1.00 0.00 H new ATOM 0 HE3 MET A 597 -2.420 -0.807 -0.659 1.00 0.00 H new ATOM 1006 N ASN A 598 -8.033 -1.867 -0.320 1.00 0.00 N ATOM 1007 CA ASN A 598 -8.987 -2.686 0.419 1.00 0.00 C ATOM 1008 C ASN A 598 -9.300 -3.973 -0.338 1.00 0.00 C ATOM 1009 O ASN A 598 -9.681 -3.942 -1.507 1.00 0.00 O ATOM 1010 CB ASN A 598 -10.277 -1.902 0.669 1.00 0.00 C ATOM 1011 CG ASN A 598 -11.113 -2.504 1.783 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -11.144 -3.721 1.962 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -11.794 -1.650 2.538 1.00 0.00 N ATOM 0 H ASN A 598 -8.179 -0.862 -0.227 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.537 -2.949 1.377 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -10.029 -0.871 0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -10.865 -1.873 -0.248 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.373 -1.995 3.303 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -11.738 -0.649 2.353 1.00 0.00 H new ATOM 1020 N GLY A 599 -9.135 -5.106 0.339 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.404 -6.388 -0.285 1.00 0.00 C ATOM 1022 C GLY A 599 -8.152 -7.037 -0.840 1.00 0.00 C ATOM 1023 O GLY A 599 -8.228 -8.018 -1.579 1.00 0.00 O ATOM 0 H GLY A 599 -8.820 -5.158 1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -9.862 -7.055 0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -10.126 -6.252 -1.090 1.00 0.00 H new ATOM 1027 N MET A 600 -6.995 -6.488 -0.484 1.00 0.00 N ATOM 1028 CA MET A 600 -5.720 -7.020 -0.952 1.00 0.00 C ATOM 1029 C MET A 600 -5.068 -7.889 0.118 1.00 0.00 C ATOM 1030 O MET A 600 -4.655 -7.395 1.167 1.00 0.00 O ATOM 1031 CB MET A 600 -4.779 -5.879 -1.342 1.00 0.00 C ATOM 1032 CG MET A 600 -4.164 -5.164 -0.150 1.00 0.00 C ATOM 1033 SD MET A 600 -3.394 -3.597 -0.602 1.00 0.00 S ATOM 1034 CE MET A 600 -2.297 -3.345 0.792 1.00 0.00 C ATOM 0 H MET A 600 -6.914 -5.675 0.127 1.00 0.00 H new ATOM 0 HA MET A 600 -5.913 -7.638 -1.829 1.00 0.00 H new ATOM 0 HB2 MET A 600 -3.980 -6.276 -1.969 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.328 -5.156 -1.945 1.00 0.00 H new ATOM 0 HG2 MET A 600 -4.936 -4.983 0.598 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.418 -5.811 0.312 1.00 0.00 H new ATOM 0 HE1 MET A 600 -2.726 -2.601 1.463 1.00 0.00 H new ATOM 0 HE2 MET A 600 -2.168 -4.285 1.328 1.00 0.00 H new ATOM 0 HE3 MET A 600 -1.328 -2.996 0.434 1.00 0.00 H new ATOM 1044 N LYS A 601 -4.978 -9.187 -0.153 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.375 -10.125 0.785 1.00 0.00 C ATOM 1046 C LYS A 601 -2.853 -10.087 0.691 1.00 0.00 C ATOM 1047 O LYS A 601 -2.268 -10.584 -0.273 1.00 0.00 O ATOM 1048 CB LYS A 601 -4.878 -11.545 0.513 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.288 -11.798 1.019 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.477 -13.244 1.445 1.00 0.00 C ATOM 1051 CE LYS A 601 -6.158 -13.437 2.919 1.00 0.00 C ATOM 1052 NZ LYS A 601 -6.339 -14.853 3.345 1.00 0.00 N ATOM 0 H LYS A 601 -5.316 -9.613 -1.016 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.666 -9.829 1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -4.847 -11.733 -0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.199 -12.258 0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.497 -11.139 1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -7.006 -11.552 0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -7.505 -13.550 1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -5.834 -13.888 0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -5.131 -13.128 3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -6.802 -12.793 3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -7.187 -14.930 3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -6.450 -15.457 2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -5.506 -15.162 3.886 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.217 -9.497 1.696 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.762 -9.396 1.727 1.00 0.00 C ATOM 1068 C LEU A 602 -0.139 -10.670 2.288 1.00 0.00 C ATOM 1069 O LEU A 602 -0.151 -10.898 3.497 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.332 -8.192 2.567 1.00 0.00 C ATOM 1071 CG LEU A 602 -0.955 -6.849 2.184 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.204 -5.704 2.845 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -0.967 -6.679 0.672 1.00 0.00 C ATOM 0 H LEU A 602 -2.686 -9.081 2.501 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.410 -9.262 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.573 -8.397 3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.752 -8.098 2.503 1.00 0.00 H new ATOM 0 HG LEU A 602 -1.985 -6.833 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -0.662 -4.756 2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.248 -5.818 3.928 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.837 -5.716 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -1.414 -5.718 0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 602 0.055 -6.716 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.550 -7.481 0.220 1.00 0.00 H new ATOM 1085 N SER A 603 0.406 -11.497 1.401 1.00 0.00 N ATOM 1086 CA SER A 603 1.032 -12.749 1.807 1.00 0.00 C ATOM 1087 C SER A 603 0.013 -13.682 2.453 1.00 0.00 C ATOM 1088 O SER A 603 0.366 -14.549 3.251 1.00 0.00 O ATOM 1089 CB SER A 603 2.181 -12.477 2.780 1.00 0.00 C ATOM 1090 OG SER A 603 3.175 -13.483 2.690 1.00 0.00 O ATOM 0 H SER A 603 0.426 -11.322 0.396 1.00 0.00 H new ATOM 0 HA SER A 603 1.428 -13.235 0.915 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.623 -11.504 2.563 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.796 -12.432 3.799 1.00 0.00 H new ATOM 0 HG SER A 603 3.899 -13.285 3.321 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.256 -13.497 2.101 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.309 -14.328 2.656 1.00 0.00 C ATOM 1098 C GLY A 604 -2.980 -13.690 3.856 1.00 0.00 C ATOM 1099 O GLY A 604 -3.484 -14.387 4.737 1.00 0.00 O ATOM 0 H GLY A 604 -1.574 -12.787 1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -3.056 -14.523 1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -1.891 -15.292 2.947 1.00 0.00 H new ATOM 1103 N ARG A 605 -2.986 -12.362 3.892 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.597 -11.630 4.995 1.00 0.00 C ATOM 1105 C ARG A 605 -4.491 -10.508 4.474 1.00 0.00 C ATOM 1106 O ARG A 605 -4.011 -9.555 3.860 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.518 -11.053 5.912 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.758 -12.108 6.699 1.00 0.00 C ATOM 1109 CD ARG A 605 -1.100 -11.516 7.935 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.363 -12.520 8.697 1.00 0.00 N ATOM 1111 CZ ARG A 605 -0.948 -13.451 9.444 1.00 0.00 C ATOM 1112 NH1 ARG A 605 -2.270 -13.504 9.528 1.00 0.00 N ATOM 1113 NH2 ARG A 605 -0.210 -14.330 10.109 1.00 0.00 N ATOM 0 H ARG A 605 -2.575 -11.771 3.170 1.00 0.00 H new ATOM 0 HA ARG A 605 -4.212 -12.327 5.564 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.811 -10.481 5.311 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -2.981 -10.355 6.610 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.441 -12.904 6.995 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.998 -12.561 6.062 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.421 -10.717 7.637 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -1.862 -11.066 8.571 1.00 0.00 H new ATOM 0 HE ARG A 605 0.656 -12.506 8.654 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -2.841 -12.829 9.019 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -2.716 -14.219 10.102 1.00 0.00 H new ATOM 0 HH21 ARG A 605 0.807 -14.292 10.047 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -0.660 -15.044 10.682 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.791 -10.630 4.723 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.750 -9.626 4.277 1.00 0.00 C ATOM 1129 C GLU A 606 -6.699 -8.390 5.170 1.00 0.00 C ATOM 1130 O GLU A 606 -6.568 -8.497 6.390 1.00 0.00 O ATOM 1131 CB GLU A 606 -8.166 -10.208 4.274 1.00 0.00 C ATOM 1132 CG GLU A 606 -9.056 -9.638 3.182 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.520 -9.618 3.575 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -10.868 -8.895 4.532 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -11.318 -10.325 2.925 1.00 0.00 O ATOM 0 H GLU A 606 -6.204 -11.413 5.230 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.483 -9.331 3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -8.105 -11.290 4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.629 -10.021 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.733 -8.624 2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -8.935 -10.229 2.274 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.803 -7.218 4.554 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.768 -5.961 5.292 1.00 0.00 C ATOM 1144 C ILE A 607 -8.017 -5.129 5.019 1.00 0.00 C ATOM 1145 O ILE A 607 -8.613 -5.220 3.945 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.522 -5.131 4.932 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.259 -5.192 3.426 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.312 -5.629 5.708 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -3.950 -4.556 3.015 1.00 0.00 C ATOM 0 H ILE A 607 -6.912 -7.112 3.545 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.729 -6.217 6.351 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.703 -4.092 5.208 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.263 -6.234 3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -6.075 -4.695 2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.439 -5.033 5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.503 -5.538 6.777 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.126 -6.674 5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.830 -4.636 1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -3.950 -3.505 3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -3.125 -5.068 3.511 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.405 -4.317 5.996 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.581 -3.465 5.860 1.00 0.00 C ATOM 1163 C ASP A 608 -9.182 -1.995 5.789 1.00 0.00 C ATOM 1164 O ASP A 608 -8.911 -1.364 6.811 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.538 -3.691 7.031 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.534 -4.802 6.760 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -11.915 -4.983 5.585 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -11.930 -5.490 7.723 1.00 0.00 O ATOM 0 H ASP A 608 -7.923 -4.231 6.891 1.00 0.00 H new ATOM 0 HA ASP A 608 -10.086 -3.730 4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -9.963 -3.933 7.925 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -11.077 -2.767 7.239 1.00 0.00 H new ATOM 1173 N VAL A 609 -9.147 -1.454 4.575 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.780 -0.058 4.371 1.00 0.00 C ATOM 1175 C VAL A 609 -10.008 0.845 4.415 1.00 0.00 C ATOM 1176 O VAL A 609 -11.022 0.563 3.776 1.00 0.00 O ATOM 1177 CB VAL A 609 -8.059 0.142 3.024 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -7.534 1.564 2.905 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.931 -0.867 2.870 1.00 0.00 C ATOM 0 H VAL A 609 -9.368 -1.961 3.718 1.00 0.00 H new ATOM 0 HA VAL A 609 -8.103 0.213 5.181 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.776 -0.023 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -7.028 1.686 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -8.366 2.265 2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.831 1.761 3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -6.432 -0.712 1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -6.213 -0.736 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -7.339 -1.877 2.907 1.00 0.00 H new ATOM 1189 N ARG A 610 -9.910 1.931 5.175 1.00 0.00 N ATOM 1190 CA ARG A 610 -11.013 2.875 5.304 1.00 0.00 C ATOM 1191 C ARG A 610 -10.493 4.292 5.531 1.00 0.00 C ATOM 1192 O ARG A 610 -9.390 4.483 6.045 1.00 0.00 O ATOM 1193 CB ARG A 610 -11.930 2.466 6.459 1.00 0.00 C ATOM 1194 CG ARG A 610 -12.357 1.009 6.410 1.00 0.00 C ATOM 1195 CD ARG A 610 -13.221 0.721 5.192 1.00 0.00 C ATOM 1196 NE ARG A 610 -14.644 0.882 5.479 1.00 0.00 N ATOM 1197 CZ ARG A 610 -15.292 2.035 5.361 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -14.648 3.123 4.962 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -16.587 2.101 5.640 1.00 0.00 N ATOM 0 H ARG A 610 -9.078 2.179 5.711 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.582 2.860 4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -11.418 2.654 7.403 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -12.819 3.097 6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -11.474 0.371 6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -12.909 0.760 7.316 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -12.937 1.390 4.380 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -13.034 -0.296 4.847 1.00 0.00 H new ATOM 0 HE ARG A 610 -15.169 0.064 5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -13.653 3.076 4.745 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -15.148 4.007 4.872 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -17.086 1.266 5.946 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -17.084 2.987 5.549 1.00 0.00 H new ATOM 1213 N ILE A 611 -11.293 5.279 5.144 1.00 0.00 N ATOM 1214 CA ILE A 611 -10.913 6.677 5.305 1.00 0.00 C ATOM 1215 C ILE A 611 -10.956 7.092 6.772 1.00 0.00 C ATOM 1216 O ILE A 611 -11.945 6.857 7.465 1.00 0.00 O ATOM 1217 CB ILE A 611 -11.833 7.608 4.493 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.619 7.390 2.993 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.577 9.061 4.864 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -10.266 7.855 2.502 1.00 0.00 C ATOM 0 H ILE A 611 -12.208 5.137 4.717 1.00 0.00 H new ATOM 0 HA ILE A 611 -9.893 6.772 4.932 1.00 0.00 H new ATOM 0 HB ILE A 611 -12.869 7.370 4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.733 6.330 2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -12.398 7.918 2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -12.235 9.706 4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -11.774 9.205 5.926 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -10.538 9.314 4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -10.184 7.670 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -10.156 8.922 2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -9.481 7.309 3.026 1.00 0.00 H new ATOM 1232 N ASP A 612 -9.877 7.713 7.237 1.00 0.00 N ATOM 1233 CA ASP A 612 -9.792 8.164 8.621 1.00 0.00 C ATOM 1234 C ASP A 612 -10.017 9.670 8.716 1.00 0.00 C ATOM 1235 O ASP A 612 -9.127 10.416 9.124 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.430 7.801 9.215 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.497 7.557 10.710 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -9.359 6.764 11.144 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -7.687 8.158 11.446 1.00 0.00 O ATOM 0 H ASP A 612 -9.050 7.915 6.676 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.574 7.661 9.190 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -8.048 6.908 8.721 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -7.722 8.605 9.012 1.00 0.00 H new