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 -122:sc= -1.21 (180deg=-1.2) USER MOD Set 1.2: A 600 MET CE :methyl 156:sc= -3.17! (180deg=-4.79!) USER MOD Set 2.1: A 561 CYS SG : rot 140:sc=-0.00612 USER MOD Set 2.2: A 596 MET CE :methyl -113:sc= -0.265 (180deg=-1.06) USER MOD Single : A 544 ASN : amide:sc= -2.85! X(o=-2.9!,f=-2.6) USER MOD Single : A 550 THR OG1 : rot 180:sc= 0.00499 USER MOD Single : A 552 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 553 MET CE :methyl -159:sc= -0.0418 (180deg=-0.342) 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= -0.0349 K(o=-0.035,f=-1.2!) USER MOD Single : A 563 HIS : no HD1:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 566 TYR OH : rot 180:sc= 0 USER MOD Single : A 570 LYS NZ :NH3+ 171:sc= -0.135 (180deg=-0.255) USER MOD Single : A 577 LYS NZ :NH3+ 131:sc= -0.909 (180deg=-3.04!) USER MOD Single : A 579 CYS SG : rot 20:sc= -1.98 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 91:sc= -3.64! USER MOD Single : A 598 ASN : amide:sc= 0.176 K(o=0.18,f=-7!) USER MOD Single : A 601 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 603 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 539 -5.887 11.276 5.504 1.00 0.00 N ATOM 60 CA GLY A 539 -5.095 10.065 5.612 1.00 0.00 C ATOM 61 C GLY A 539 -5.934 8.853 5.964 1.00 0.00 C ATOM 62 O GLY A 539 -6.664 8.862 6.955 1.00 0.00 O ATOM 0 HA2 GLY A 539 -4.581 9.885 4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.326 10.204 6.372 1.00 0.00 H new ATOM 66 N ILE A 540 -5.833 7.808 5.149 1.00 0.00 N ATOM 67 CA ILE A 540 -6.589 6.584 5.380 1.00 0.00 C ATOM 68 C ILE A 540 -5.969 5.757 6.501 1.00 0.00 C ATOM 69 O ILE A 540 -4.990 6.170 7.123 1.00 0.00 O ATOM 70 CB ILE A 540 -6.668 5.722 4.106 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.325 5.040 3.841 1.00 0.00 C ATOM 72 CG2 ILE A 540 -7.080 6.575 2.915 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.380 4.003 2.741 1.00 0.00 C ATOM 0 H ILE A 540 -5.235 7.785 4.323 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.596 6.886 5.669 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.423 4.949 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.587 5.798 3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -4.980 4.565 4.760 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -7.132 5.952 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -8.058 7.018 3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -6.346 7.367 2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.393 3.561 2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -6.093 3.224 3.011 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.694 4.476 1.811 1.00 0.00 H new ATOM 85 N PHE A 541 -6.545 4.586 6.754 1.00 0.00 N ATOM 86 CA PHE A 541 -6.049 3.700 7.800 1.00 0.00 C ATOM 87 C PHE A 541 -6.161 2.239 7.374 1.00 0.00 C ATOM 88 O PHE A 541 -7.159 1.828 6.782 1.00 0.00 O ATOM 89 CB PHE A 541 -6.825 3.925 9.099 1.00 0.00 C ATOM 90 CG PHE A 541 -6.040 3.584 10.334 1.00 0.00 C ATOM 91 CD1 PHE A 541 -5.812 2.263 10.683 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.530 4.585 11.145 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.090 1.946 11.818 1.00 0.00 C ATOM 94 CE2 PHE A 541 -4.806 4.274 12.280 1.00 0.00 C ATOM 95 CZ PHE A 541 -4.587 2.953 12.618 1.00 0.00 C ATOM 0 H PHE A 541 -7.356 4.229 6.249 1.00 0.00 H new ATOM 0 HA PHE A 541 -4.997 3.931 7.969 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.134 4.969 9.152 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.734 3.324 9.079 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.203 1.472 10.061 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.700 5.620 10.887 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -4.919 0.912 12.079 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.412 5.064 12.902 1.00 0.00 H new ATOM 0 HZ PHE A 541 -4.024 2.708 13.506 1.00 0.00 H new ATOM 105 N VAL A 542 -5.129 1.459 7.680 1.00 0.00 N ATOM 106 CA VAL A 542 -5.111 0.044 7.330 1.00 0.00 C ATOM 107 C VAL A 542 -4.953 -0.827 8.571 1.00 0.00 C ATOM 108 O VAL A 542 -4.285 -0.443 9.530 1.00 0.00 O ATOM 109 CB VAL A 542 -3.972 -0.276 6.343 1.00 0.00 C ATOM 110 CG1 VAL A 542 -4.190 -1.635 5.696 1.00 0.00 C ATOM 111 CG2 VAL A 542 -3.860 0.814 5.288 1.00 0.00 C ATOM 0 H VAL A 542 -4.295 1.783 8.169 1.00 0.00 H new ATOM 0 HA VAL A 542 -6.067 -0.176 6.854 1.00 0.00 H new ATOM 0 HB VAL A 542 -3.034 -0.312 6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.375 -1.843 5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -4.215 -2.405 6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -5.136 -1.633 5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -3.051 0.572 4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -4.797 0.884 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.652 1.768 5.772 1.00 0.00 H new ATOM 121 N ARG A 543 -5.572 -2.003 8.544 1.00 0.00 N ATOM 122 CA ARG A 543 -5.501 -2.929 9.668 1.00 0.00 C ATOM 123 C ARG A 543 -5.300 -4.361 9.180 1.00 0.00 C ATOM 124 O ARG A 543 -5.606 -4.686 8.034 1.00 0.00 O ATOM 125 CB ARG A 543 -6.775 -2.841 10.510 1.00 0.00 C ATOM 126 CG ARG A 543 -6.709 -1.790 11.606 1.00 0.00 C ATOM 127 CD ARG A 543 -7.999 -1.741 12.410 1.00 0.00 C ATOM 128 NE ARG A 543 -7.784 -1.227 13.759 1.00 0.00 N ATOM 129 CZ ARG A 543 -8.743 -1.142 14.675 1.00 0.00 C ATOM 130 NH1 ARG A 543 -9.976 -1.535 14.387 1.00 0.00 N ATOM 131 NH2 ARG A 543 -8.469 -0.662 15.882 1.00 0.00 N ATOM 0 H ARG A 543 -6.128 -2.337 7.757 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.646 -2.649 10.284 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.618 -2.619 9.856 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -6.970 -3.814 10.962 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.873 -2.008 12.271 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -6.518 -0.813 11.163 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -8.724 -1.112 11.894 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -8.428 -2.741 12.467 1.00 0.00 H new ATOM 0 HE ARG A 543 -6.846 -0.916 14.013 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -10.190 -1.904 13.460 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -10.710 -1.469 15.092 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -7.522 -0.358 16.107 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -9.206 -0.597 16.584 1.00 0.00 H new ATOM 145 N ASN A 544 -4.782 -5.213 10.059 1.00 0.00 N ATOM 146 CA ASN A 544 -4.538 -6.609 9.718 1.00 0.00 C ATOM 147 C ASN A 544 -3.332 -6.741 8.792 1.00 0.00 C ATOM 148 O ASN A 544 -3.291 -7.617 7.928 1.00 0.00 O ATOM 149 CB ASN A 544 -5.774 -7.217 9.052 1.00 0.00 C ATOM 150 CG ASN A 544 -5.780 -8.732 9.118 1.00 0.00 C ATOM 151 OD1 ASN A 544 -6.427 -9.324 9.981 1.00 0.00 O ATOM 152 ND2 ASN A 544 -5.058 -9.367 8.202 1.00 0.00 N ATOM 0 H ASN A 544 -4.523 -4.961 11.013 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.327 -7.150 10.640 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.671 -6.831 9.536 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -5.814 -6.901 8.009 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -5.025 -10.386 8.196 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -4.537 -8.835 7.505 1.00 0.00 H new ATOM 159 N LEU A 545 -2.351 -5.864 8.980 1.00 0.00 N ATOM 160 CA LEU A 545 -1.143 -5.882 8.163 1.00 0.00 C ATOM 161 C LEU A 545 -0.131 -6.884 8.708 1.00 0.00 C ATOM 162 O LEU A 545 0.031 -7.044 9.918 1.00 0.00 O ATOM 163 CB LEU A 545 -0.518 -4.486 8.110 1.00 0.00 C ATOM 164 CG LEU A 545 -1.301 -3.430 7.329 1.00 0.00 C ATOM 165 CD1 LEU A 545 -0.872 -2.031 7.747 1.00 0.00 C ATOM 166 CD2 LEU A 545 -1.110 -3.623 5.832 1.00 0.00 C ATOM 0 H LEU A 545 -2.369 -5.132 9.691 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.421 -6.187 7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.386 -4.130 9.132 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.476 -4.571 7.671 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.360 -3.547 7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.439 -1.292 7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -1.061 -1.896 8.812 1.00 0.00 H new ATOM 0 HD13 LEU A 545 0.192 -1.902 7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.674 -2.863 5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 545 -0.052 -3.533 5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.466 -4.612 5.544 1.00 0.00 H new ATOM 178 N PRO A 546 0.569 -7.575 7.796 1.00 0.00 N ATOM 179 CA PRO A 546 1.580 -8.571 8.163 1.00 0.00 C ATOM 180 C PRO A 546 2.822 -7.937 8.780 1.00 0.00 C ATOM 181 O PRO A 546 3.149 -6.785 8.496 1.00 0.00 O ATOM 182 CB PRO A 546 1.925 -9.234 6.827 1.00 0.00 C ATOM 183 CG PRO A 546 1.603 -8.205 5.799 1.00 0.00 C ATOM 184 CD PRO A 546 0.428 -7.436 6.337 1.00 0.00 C ATOM 0 HA PRO A 546 1.212 -9.266 8.918 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.976 -9.519 6.786 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.342 -10.142 6.674 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.454 -7.547 5.626 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.361 -8.670 4.844 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.456 -6.391 6.028 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.517 -7.847 5.984 1.00 0.00 H new ATOM 192 N PHE A 547 3.511 -8.697 9.625 1.00 0.00 N ATOM 193 CA PHE A 547 4.717 -8.209 10.282 1.00 0.00 C ATOM 194 C PHE A 547 5.739 -7.728 9.256 1.00 0.00 C ATOM 195 O PHE A 547 6.121 -6.558 9.247 1.00 0.00 O ATOM 196 CB PHE A 547 5.330 -9.309 11.152 1.00 0.00 C ATOM 197 CG PHE A 547 4.466 -9.705 12.315 1.00 0.00 C ATOM 198 CD1 PHE A 547 3.907 -8.742 13.140 1.00 0.00 C ATOM 199 CD2 PHE A 547 4.212 -11.041 12.583 1.00 0.00 C ATOM 200 CE1 PHE A 547 3.111 -9.103 14.210 1.00 0.00 C ATOM 201 CE2 PHE A 547 3.417 -11.408 13.652 1.00 0.00 C ATOM 202 CZ PHE A 547 2.867 -10.438 14.467 1.00 0.00 C ATOM 0 H PHE A 547 3.254 -9.653 9.871 1.00 0.00 H new ATOM 0 HA PHE A 547 4.440 -7.366 10.915 1.00 0.00 H new ATOM 0 HB2 PHE A 547 5.518 -10.187 10.534 1.00 0.00 H new ATOM 0 HB3 PHE A 547 6.296 -8.969 11.526 1.00 0.00 H new ATOM 0 HD1 PHE A 547 4.096 -7.697 12.944 1.00 0.00 H new ATOM 0 HD2 PHE A 547 4.640 -11.804 11.949 1.00 0.00 H new ATOM 0 HE1 PHE A 547 2.680 -8.343 14.844 1.00 0.00 H new ATOM 0 HE2 PHE A 547 3.226 -12.452 13.850 1.00 0.00 H new ATOM 0 HZ PHE A 547 2.247 -10.723 15.304 1.00 0.00 H new ATOM 212 N ASP A 548 6.178 -8.639 8.395 1.00 0.00 N ATOM 213 CA ASP A 548 7.156 -8.309 7.365 1.00 0.00 C ATOM 214 C ASP A 548 6.894 -6.919 6.793 1.00 0.00 C ATOM 215 O ASP A 548 7.812 -6.248 6.320 1.00 0.00 O ATOM 216 CB ASP A 548 7.118 -9.350 6.245 1.00 0.00 C ATOM 217 CG ASP A 548 8.344 -9.287 5.355 1.00 0.00 C ATOM 218 OD1 ASP A 548 9.467 -9.204 5.896 1.00 0.00 O ATOM 219 OD2 ASP A 548 8.181 -9.323 4.117 1.00 0.00 O ATOM 0 H ASP A 548 5.872 -9.612 8.390 1.00 0.00 H new ATOM 0 HA ASP A 548 8.145 -8.314 7.822 1.00 0.00 H new ATOM 0 HB2 ASP A 548 7.040 -10.346 6.681 1.00 0.00 H new ATOM 0 HB3 ASP A 548 6.225 -9.196 5.640 1.00 0.00 H new ATOM 224 N PHE A 549 5.636 -6.493 6.839 1.00 0.00 N ATOM 225 CA PHE A 549 5.253 -5.184 6.324 1.00 0.00 C ATOM 226 C PHE A 549 6.038 -4.075 7.019 1.00 0.00 C ATOM 227 O PHE A 549 5.832 -3.799 8.201 1.00 0.00 O ATOM 228 CB PHE A 549 3.752 -4.957 6.513 1.00 0.00 C ATOM 229 CG PHE A 549 3.142 -4.074 5.463 1.00 0.00 C ATOM 230 CD1 PHE A 549 2.902 -4.557 4.187 1.00 0.00 C ATOM 231 CD2 PHE A 549 2.808 -2.760 5.751 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.341 -3.746 3.218 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.247 -1.945 4.787 1.00 0.00 C ATOM 234 CZ PHE A 549 2.012 -2.439 3.519 1.00 0.00 C ATOM 0 H PHE A 549 4.865 -7.035 7.228 1.00 0.00 H new ATOM 0 HA PHE A 549 5.486 -5.158 5.260 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.243 -5.921 6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.581 -4.513 7.494 1.00 0.00 H new ATOM 0 HD1 PHE A 549 3.156 -5.579 3.946 1.00 0.00 H new ATOM 0 HD2 PHE A 549 2.989 -2.369 6.741 1.00 0.00 H new ATOM 0 HE1 PHE A 549 2.160 -4.134 2.227 1.00 0.00 H new ATOM 0 HE2 PHE A 549 1.992 -0.923 5.025 1.00 0.00 H new ATOM 0 HZ PHE A 549 1.572 -1.804 2.764 1.00 0.00 H new ATOM 244 N THR A 550 6.941 -3.443 6.275 1.00 0.00 N ATOM 245 CA THR A 550 7.759 -2.365 6.819 1.00 0.00 C ATOM 246 C THR A 550 7.281 -1.007 6.319 1.00 0.00 C ATOM 247 O THR A 550 6.752 -0.893 5.213 1.00 0.00 O ATOM 248 CB THR A 550 9.243 -2.544 6.446 1.00 0.00 C ATOM 249 OG1 THR A 550 9.358 -2.961 5.082 1.00 0.00 O ATOM 250 CG2 THR A 550 9.909 -3.568 7.353 1.00 0.00 C ATOM 0 H THR A 550 7.124 -3.659 5.295 1.00 0.00 H new ATOM 0 HA THR A 550 7.657 -2.406 7.903 1.00 0.00 H new ATOM 0 HB THR A 550 9.746 -1.586 6.576 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.304 -3.071 4.852 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.956 -3.678 7.071 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.845 -3.233 8.388 1.00 0.00 H new ATOM 0 HG23 THR A 550 9.403 -4.528 7.251 1.00 0.00 H new ATOM 258 N TRP A 551 7.472 0.020 7.139 1.00 0.00 N ATOM 259 CA TRP A 551 7.061 1.372 6.779 1.00 0.00 C ATOM 260 C TRP A 551 7.281 1.630 5.292 1.00 0.00 C ATOM 261 O TRP A 551 6.390 2.122 4.599 1.00 0.00 O ATOM 262 CB TRP A 551 7.834 2.400 7.607 1.00 0.00 C ATOM 263 CG TRP A 551 9.294 2.456 7.273 1.00 0.00 C ATOM 264 CD1 TRP A 551 10.287 1.686 7.808 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.925 3.328 6.329 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.497 2.028 7.254 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.302 3.032 6.344 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.460 4.330 5.473 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.216 3.703 5.535 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.369 4.995 4.671 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.733 4.679 4.706 1.00 0.00 C ATOM 0 H TRP A 551 7.909 -0.058 8.057 1.00 0.00 H new ATOM 0 HA TRP A 551 5.997 1.470 6.992 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.395 3.385 7.451 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.720 2.164 8.665 1.00 0.00 H new ATOM 0 HD1 TRP A 551 10.142 0.921 8.556 1.00 0.00 H new ATOM 0 HE1 TRP A 551 12.395 1.603 7.484 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.410 4.580 5.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.268 3.462 5.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 10.021 5.772 4.006 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.417 5.216 4.066 1.00 0.00 H new ATOM 282 N LYS A 552 8.472 1.295 4.807 1.00 0.00 N ATOM 283 CA LYS A 552 8.808 1.488 3.402 1.00 0.00 C ATOM 284 C LYS A 552 7.704 0.950 2.499 1.00 0.00 C ATOM 285 O LYS A 552 7.238 1.640 1.592 1.00 0.00 O ATOM 286 CB LYS A 552 10.133 0.796 3.074 1.00 0.00 C ATOM 287 CG LYS A 552 11.350 1.679 3.290 1.00 0.00 C ATOM 288 CD LYS A 552 12.502 1.271 2.387 1.00 0.00 C ATOM 289 CE LYS A 552 13.775 2.030 2.730 1.00 0.00 C ATOM 290 NZ LYS A 552 14.910 1.635 1.850 1.00 0.00 N ATOM 0 H LYS A 552 9.221 0.888 5.367 1.00 0.00 H new ATOM 0 HA LYS A 552 8.910 2.558 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 552 10.229 -0.098 3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 552 10.114 0.466 2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 552 11.085 2.719 3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 552 11.664 1.619 4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 552 12.679 0.200 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 552 12.234 1.458 1.347 1.00 0.00 H new ATOM 0 HE2 LYS A 552 13.596 3.101 2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 552 14.040 1.843 3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 15.759 2.174 2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 15.097 0.618 1.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 14.667 1.837 0.859 1.00 0.00 H new ATOM 304 N MET A 553 7.288 -0.287 2.753 1.00 0.00 N ATOM 305 CA MET A 553 6.235 -0.916 1.964 1.00 0.00 C ATOM 306 C MET A 553 4.983 -0.045 1.934 1.00 0.00 C ATOM 307 O MET A 553 4.552 0.403 0.871 1.00 0.00 O ATOM 308 CB MET A 553 5.898 -2.296 2.532 1.00 0.00 C ATOM 309 CG MET A 553 7.075 -3.257 2.535 1.00 0.00 C ATOM 310 SD MET A 553 7.242 -4.155 0.980 1.00 0.00 S ATOM 311 CE MET A 553 5.854 -5.282 1.090 1.00 0.00 C ATOM 0 H MET A 553 7.664 -0.873 3.498 1.00 0.00 H new ATOM 0 HA MET A 553 6.600 -1.031 0.943 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.532 -2.180 3.552 1.00 0.00 H new ATOM 0 HB3 MET A 553 5.086 -2.731 1.949 1.00 0.00 H new ATOM 0 HG2 MET A 553 7.992 -2.701 2.730 1.00 0.00 H new ATOM 0 HG3 MET A 553 6.955 -3.970 3.351 1.00 0.00 H new ATOM 0 HE1 MET A 553 6.020 -6.130 0.425 1.00 0.00 H new ATOM 0 HE2 MET A 553 5.755 -5.639 2.115 1.00 0.00 H new ATOM 0 HE3 MET A 553 4.941 -4.764 0.796 1.00 0.00 H new ATOM 321 N LEU A 554 4.404 0.190 3.106 1.00 0.00 N ATOM 322 CA LEU A 554 3.200 1.007 3.214 1.00 0.00 C ATOM 323 C LEU A 554 3.236 2.163 2.219 1.00 0.00 C ATOM 324 O LEU A 554 2.257 2.426 1.520 1.00 0.00 O ATOM 325 CB LEU A 554 3.054 1.548 4.637 1.00 0.00 C ATOM 326 CG LEU A 554 1.764 2.315 4.934 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.565 1.380 4.890 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.855 3.006 6.287 1.00 0.00 C ATOM 0 H LEU A 554 4.748 -0.173 3.995 1.00 0.00 H new ATOM 0 HA LEU A 554 2.341 0.378 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 554 3.124 0.711 5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.899 2.205 4.843 1.00 0.00 H new ATOM 0 HG LEU A 554 1.632 3.078 4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.344 1.943 5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.489 0.932 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.689 0.594 5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.929 3.547 6.482 1.00 0.00 H new ATOM 0 HD22 LEU A 554 2.011 2.260 7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.690 3.706 6.282 1.00 0.00 H new ATOM 340 N LYS A 555 4.372 2.849 2.158 1.00 0.00 N ATOM 341 CA LYS A 555 4.538 3.975 1.247 1.00 0.00 C ATOM 342 C LYS A 555 4.558 3.503 -0.203 1.00 0.00 C ATOM 343 O LYS A 555 3.589 3.690 -0.940 1.00 0.00 O ATOM 344 CB LYS A 555 5.831 4.730 1.566 1.00 0.00 C ATOM 345 CG LYS A 555 6.195 5.779 0.529 1.00 0.00 C ATOM 346 CD LYS A 555 7.672 6.130 0.587 1.00 0.00 C ATOM 347 CE LYS A 555 7.935 7.523 0.035 1.00 0.00 C ATOM 348 NZ LYS A 555 8.205 7.498 -1.429 1.00 0.00 N ATOM 0 H LYS A 555 5.192 2.645 2.729 1.00 0.00 H new ATOM 0 HA LYS A 555 3.690 4.646 1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.730 5.212 2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.649 4.014 1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 555 5.946 5.410 -0.466 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.600 6.677 0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 555 8.020 6.074 1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 555 8.244 5.398 0.017 1.00 0.00 H new ATOM 0 HE2 LYS A 555 7.074 8.161 0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 555 8.786 7.964 0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 8.379 8.466 -1.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 9.042 6.910 -1.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 7.383 7.101 -1.927 1.00 0.00 H new ATOM 362 N ASP A 556 5.665 2.890 -0.606 1.00 0.00 N ATOM 363 CA ASP A 556 5.809 2.389 -1.968 1.00 0.00 C ATOM 364 C ASP A 556 4.553 1.643 -2.408 1.00 0.00 C ATOM 365 O ASP A 556 3.893 2.032 -3.372 1.00 0.00 O ATOM 366 CB ASP A 556 7.026 1.467 -2.069 1.00 0.00 C ATOM 367 CG ASP A 556 7.641 1.470 -3.454 1.00 0.00 C ATOM 368 OD1 ASP A 556 7.763 2.563 -4.047 1.00 0.00 O ATOM 369 OD2 ASP A 556 8.003 0.380 -3.945 1.00 0.00 O ATOM 0 H ASP A 556 6.476 2.728 -0.009 1.00 0.00 H new ATOM 0 HA ASP A 556 5.954 3.243 -2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 556 7.775 1.778 -1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 556 6.731 0.451 -1.808 1.00 0.00 H new ATOM 374 N LYS A 557 4.229 0.569 -1.697 1.00 0.00 N ATOM 375 CA LYS A 557 3.052 -0.232 -2.013 1.00 0.00 C ATOM 376 C LYS A 557 1.893 0.655 -2.455 1.00 0.00 C ATOM 377 O LYS A 557 1.296 0.434 -3.509 1.00 0.00 O ATOM 378 CB LYS A 557 2.636 -1.066 -0.799 1.00 0.00 C ATOM 379 CG LYS A 557 1.231 -1.633 -0.903 1.00 0.00 C ATOM 380 CD LYS A 557 1.092 -2.561 -2.099 1.00 0.00 C ATOM 381 CE LYS A 557 1.455 -3.994 -1.737 1.00 0.00 C ATOM 382 NZ LYS A 557 1.995 -4.741 -2.907 1.00 0.00 N ATOM 0 H LYS A 557 4.765 0.233 -0.897 1.00 0.00 H new ATOM 0 HA LYS A 557 3.308 -0.901 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.342 -1.887 -0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.704 -0.448 0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 557 0.988 -2.176 0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.514 -0.817 -0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 557 0.068 -2.527 -2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.736 -2.214 -2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 557 2.194 -3.990 -0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.573 -4.507 -1.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 2.230 -5.713 -2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 1.281 -4.767 -3.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.852 -4.266 -3.257 1.00 0.00 H new ATOM 396 N PHE A 558 1.580 1.660 -1.644 1.00 0.00 N ATOM 397 CA PHE A 558 0.492 2.581 -1.952 1.00 0.00 C ATOM 398 C PHE A 558 0.918 3.589 -3.015 1.00 0.00 C ATOM 399 O PHE A 558 0.082 4.155 -3.719 1.00 0.00 O ATOM 400 CB PHE A 558 0.044 3.316 -0.687 1.00 0.00 C ATOM 401 CG PHE A 558 -0.768 2.463 0.246 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.297 1.228 0.663 1.00 0.00 C ATOM 403 CD2 PHE A 558 -2.000 2.896 0.706 1.00 0.00 C ATOM 404 CE1 PHE A 558 -1.042 0.442 1.521 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.750 2.114 1.565 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.269 0.885 1.973 1.00 0.00 C ATOM 0 H PHE A 558 2.064 1.857 -0.768 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.344 2.000 -2.341 1.00 0.00 H new ATOM 0 HB2 PHE A 558 0.924 3.682 -0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.543 4.189 -0.972 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.662 0.876 0.314 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.380 3.856 0.390 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.665 -0.519 1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.710 2.463 1.916 1.00 0.00 H new ATOM 0 HZ PHE A 558 -2.852 0.272 2.644 1.00 0.00 H new ATOM 416 N ASN A 559 2.224 3.809 -3.125 1.00 0.00 N ATOM 417 CA ASN A 559 2.762 4.749 -4.101 1.00 0.00 C ATOM 418 C ASN A 559 2.289 4.401 -5.509 1.00 0.00 C ATOM 419 O ASN A 559 2.329 5.237 -6.412 1.00 0.00 O ATOM 420 CB ASN A 559 4.291 4.750 -4.050 1.00 0.00 C ATOM 421 CG ASN A 559 4.888 6.021 -4.626 1.00 0.00 C ATOM 422 OD1 ASN A 559 4.166 6.950 -4.988 1.00 0.00 O ATOM 423 ND2 ASN A 559 6.212 6.066 -4.712 1.00 0.00 N ATOM 0 H ASN A 559 2.930 3.349 -2.550 1.00 0.00 H new ATOM 0 HA ASN A 559 2.396 5.745 -3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.617 4.634 -3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.671 3.891 -4.602 1.00 0.00 H new ATOM 0 HD21 ASN A 559 6.671 6.895 -5.090 1.00 0.00 H new ATOM 0 HD22 ASN A 559 6.771 5.272 -4.400 1.00 0.00 H new ATOM 430 N GLU A 560 1.842 3.162 -5.688 1.00 0.00 N ATOM 431 CA GLU A 560 1.362 2.705 -6.987 1.00 0.00 C ATOM 432 C GLU A 560 0.072 3.423 -7.374 1.00 0.00 C ATOM 433 O GLU A 560 -0.100 3.837 -8.521 1.00 0.00 O ATOM 434 CB GLU A 560 1.129 1.192 -6.966 1.00 0.00 C ATOM 435 CG GLU A 560 2.407 0.379 -7.088 1.00 0.00 C ATOM 436 CD GLU A 560 2.159 -1.018 -7.626 1.00 0.00 C ATOM 437 OE1 GLU A 560 1.867 -1.145 -8.833 1.00 0.00 O ATOM 438 OE2 GLU A 560 2.258 -1.983 -6.839 1.00 0.00 O ATOM 0 H GLU A 560 1.802 2.458 -4.951 1.00 0.00 H new ATOM 0 HA GLU A 560 2.125 2.938 -7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 560 0.624 0.923 -6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 560 0.458 0.924 -7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 560 3.103 0.900 -7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 560 2.884 0.309 -6.110 1.00 0.00 H new ATOM 445 N CYS A 561 -0.831 3.566 -6.411 1.00 0.00 N ATOM 446 CA CYS A 561 -2.106 4.232 -6.650 1.00 0.00 C ATOM 447 C CYS A 561 -1.903 5.725 -6.887 1.00 0.00 C ATOM 448 O CYS A 561 -2.354 6.272 -7.892 1.00 0.00 O ATOM 449 CB CYS A 561 -3.049 4.015 -5.466 1.00 0.00 C ATOM 450 SG CYS A 561 -3.316 2.277 -5.045 1.00 0.00 S ATOM 0 H CYS A 561 -0.704 3.229 -5.457 1.00 0.00 H new ATOM 0 HA CYS A 561 -2.552 3.798 -7.544 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -2.646 4.531 -4.595 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -4.011 4.475 -5.692 1.00 0.00 H new ATOM 0 HG CYS A 561 -3.329 2.141 -3.752 1.00 0.00 H new ATOM 456 N GLY A 562 -1.221 6.380 -5.951 1.00 0.00 N ATOM 457 CA GLY A 562 -0.972 7.805 -6.076 1.00 0.00 C ATOM 458 C GLY A 562 0.351 8.218 -5.462 1.00 0.00 C ATOM 459 O GLY A 562 1.346 7.502 -5.574 1.00 0.00 O ATOM 0 H GLY A 562 -0.837 5.950 -5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -0.982 8.081 -7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.780 8.356 -5.595 1.00 0.00 H new ATOM 463 N HIS A 563 0.363 9.377 -4.811 1.00 0.00 N ATOM 464 CA HIS A 563 1.575 9.885 -4.178 1.00 0.00 C ATOM 465 C HIS A 563 1.454 9.836 -2.657 1.00 0.00 C ATOM 466 O HIS A 563 0.614 10.516 -2.069 1.00 0.00 O ATOM 467 CB HIS A 563 1.851 11.318 -4.633 1.00 0.00 C ATOM 468 CG HIS A 563 3.134 11.879 -4.100 1.00 0.00 C ATOM 469 ND1 HIS A 563 4.375 11.428 -4.497 1.00 0.00 N ATOM 470 CD2 HIS A 563 3.363 12.861 -3.198 1.00 0.00 C ATOM 471 CE1 HIS A 563 5.312 12.107 -3.860 1.00 0.00 C ATOM 472 NE2 HIS A 563 4.725 12.983 -3.066 1.00 0.00 N ATOM 0 H HIS A 563 -0.452 9.982 -4.708 1.00 0.00 H new ATOM 0 HA HIS A 563 2.407 9.249 -4.480 1.00 0.00 H new ATOM 0 HB2 HIS A 563 1.876 11.346 -5.722 1.00 0.00 H new ATOM 0 HB3 HIS A 563 1.026 11.956 -4.317 1.00 0.00 H new ATOM 0 HD2 HIS A 563 2.615 13.441 -2.679 1.00 0.00 H new ATOM 0 HE1 HIS A 563 6.377 11.969 -3.970 1.00 0.00 H new ATOM 0 HE2 HIS A 563 5.205 13.643 -2.454 1.00 0.00 H new ATOM 481 N VAL A 564 2.299 9.026 -2.027 1.00 0.00 N ATOM 482 CA VAL A 564 2.288 8.888 -0.576 1.00 0.00 C ATOM 483 C VAL A 564 3.145 9.962 0.085 1.00 0.00 C ATOM 484 O VAL A 564 4.325 10.113 -0.235 1.00 0.00 O ATOM 485 CB VAL A 564 2.795 7.501 -0.140 1.00 0.00 C ATOM 486 CG1 VAL A 564 2.888 7.419 1.376 1.00 0.00 C ATOM 487 CG2 VAL A 564 1.890 6.407 -0.686 1.00 0.00 C ATOM 0 H VAL A 564 3.000 8.455 -2.499 1.00 0.00 H new ATOM 0 HA VAL A 564 1.253 9.005 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 564 3.794 7.353 -0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.248 6.432 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.580 8.179 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 564 1.903 7.588 1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.263 5.434 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 564 0.878 6.549 -0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 564 1.879 6.453 -1.775 1.00 0.00 H new ATOM 497 N LEU A 565 2.545 10.705 1.008 1.00 0.00 N ATOM 498 CA LEU A 565 3.254 11.766 1.715 1.00 0.00 C ATOM 499 C LEU A 565 3.718 11.289 3.088 1.00 0.00 C ATOM 500 O LEU A 565 4.806 11.642 3.544 1.00 0.00 O ATOM 501 CB LEU A 565 2.355 12.994 1.867 1.00 0.00 C ATOM 502 CG LEU A 565 1.915 13.668 0.566 1.00 0.00 C ATOM 503 CD1 LEU A 565 0.866 14.733 0.846 1.00 0.00 C ATOM 504 CD2 LEU A 565 3.113 14.272 -0.153 1.00 0.00 C ATOM 0 H LEU A 565 1.570 10.593 1.284 1.00 0.00 H new ATOM 0 HA LEU A 565 4.132 12.036 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.463 12.700 2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.880 13.731 2.475 1.00 0.00 H new ATOM 0 HG LEU A 565 1.472 12.912 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.565 15.202 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -0.003 14.273 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 565 1.283 15.488 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 565 2.782 14.747 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.585 15.016 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 565 3.831 13.486 -0.387 1.00 0.00 H new ATOM 516 N TYR A 566 2.887 10.484 3.741 1.00 0.00 N ATOM 517 CA TYR A 566 3.211 9.959 5.062 1.00 0.00 C ATOM 518 C TYR A 566 2.861 8.477 5.160 1.00 0.00 C ATOM 519 O TYR A 566 1.826 8.038 4.659 1.00 0.00 O ATOM 520 CB TYR A 566 2.466 10.743 6.143 1.00 0.00 C ATOM 521 CG TYR A 566 2.706 10.223 7.542 1.00 0.00 C ATOM 522 CD1 TYR A 566 3.930 10.408 8.173 1.00 0.00 C ATOM 523 CD2 TYR A 566 1.708 9.547 8.233 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.153 9.934 9.451 1.00 0.00 C ATOM 525 CE2 TYR A 566 1.922 9.070 9.512 1.00 0.00 C ATOM 526 CZ TYR A 566 3.147 9.266 10.117 1.00 0.00 C ATOM 527 OH TYR A 566 3.365 8.793 11.391 1.00 0.00 O ATOM 0 H TYR A 566 1.984 10.181 3.377 1.00 0.00 H new ATOM 0 HA TYR A 566 4.284 10.072 5.216 1.00 0.00 H new ATOM 0 HB2 TYR A 566 2.770 11.789 6.096 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.397 10.712 5.931 1.00 0.00 H new ATOM 0 HD1 TYR A 566 4.720 10.931 7.655 1.00 0.00 H new ATOM 0 HD2 TYR A 566 0.748 9.392 7.762 1.00 0.00 H new ATOM 0 HE1 TYR A 566 5.111 10.086 9.927 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.135 8.547 10.035 1.00 0.00 H new ATOM 0 HH TYR A 566 2.555 8.348 11.718 1.00 0.00 H new ATOM 537 N ALA A 567 3.732 7.712 5.809 1.00 0.00 N ATOM 538 CA ALA A 567 3.515 6.280 5.976 1.00 0.00 C ATOM 539 C ALA A 567 4.296 5.742 7.171 1.00 0.00 C ATOM 540 O ALA A 567 5.525 5.689 7.148 1.00 0.00 O ATOM 541 CB ALA A 567 3.907 5.535 4.709 1.00 0.00 C ATOM 0 H ALA A 567 4.595 8.060 6.228 1.00 0.00 H new ATOM 0 HA ALA A 567 2.454 6.118 6.166 1.00 0.00 H new ATOM 0 HB1 ALA A 567 3.740 4.467 4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.302 5.891 3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 567 4.961 5.712 4.494 1.00 0.00 H new ATOM 547 N ASP A 568 3.574 5.345 8.213 1.00 0.00 N ATOM 548 CA ASP A 568 4.199 4.811 9.417 1.00 0.00 C ATOM 549 C ASP A 568 3.417 3.615 9.951 1.00 0.00 C ATOM 550 O ASP A 568 2.204 3.520 9.761 1.00 0.00 O ATOM 551 CB ASP A 568 4.294 5.895 10.492 1.00 0.00 C ATOM 552 CG ASP A 568 5.386 5.611 11.505 1.00 0.00 C ATOM 553 OD1 ASP A 568 6.575 5.746 11.148 1.00 0.00 O ATOM 554 OD2 ASP A 568 5.052 5.254 12.654 1.00 0.00 O ATOM 0 H ASP A 568 2.555 5.383 8.248 1.00 0.00 H new ATOM 0 HA ASP A 568 5.204 4.478 9.158 1.00 0.00 H new ATOM 0 HB2 ASP A 568 4.484 6.858 10.017 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.337 5.977 11.007 1.00 0.00 H new ATOM 559 N ILE A 569 4.119 2.705 10.617 1.00 0.00 N ATOM 560 CA ILE A 569 3.490 1.515 11.178 1.00 0.00 C ATOM 561 C ILE A 569 3.261 1.670 12.678 1.00 0.00 C ATOM 562 O ILE A 569 4.202 1.620 13.470 1.00 0.00 O ATOM 563 CB ILE A 569 4.341 0.257 10.927 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.584 0.069 9.429 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.660 -0.969 11.517 1.00 0.00 C ATOM 566 CD1 ILE A 569 3.363 -0.408 8.674 1.00 0.00 C ATOM 0 H ILE A 569 5.124 2.769 10.782 1.00 0.00 H new ATOM 0 HA ILE A 569 2.529 1.399 10.676 1.00 0.00 H new ATOM 0 HB ILE A 569 5.305 0.385 11.418 1.00 0.00 H new ATOM 0 HG12 ILE A 569 4.919 1.014 9.002 1.00 0.00 H new ATOM 0 HG13 ILE A 569 5.392 -0.649 9.287 1.00 0.00 H new ATOM 0 HG21 ILE A 569 4.274 -1.851 11.332 1.00 0.00 H new ATOM 0 HG22 ILE A 569 3.534 -0.834 12.591 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.683 -1.102 11.051 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.609 -0.519 7.618 1.00 0.00 H new ATOM 0 HD12 ILE A 569 3.040 -1.369 9.075 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.559 0.320 8.785 1.00 0.00 H new ATOM 578 N LYS A 570 2.003 1.857 13.062 1.00 0.00 N ATOM 579 CA LYS A 570 1.647 2.016 14.467 1.00 0.00 C ATOM 580 C LYS A 570 2.009 0.767 15.265 1.00 0.00 C ATOM 581 O LYS A 570 1.517 -0.325 14.983 1.00 0.00 O ATOM 582 CB LYS A 570 0.151 2.306 14.606 1.00 0.00 C ATOM 583 CG LYS A 570 -0.276 3.616 13.967 1.00 0.00 C ATOM 584 CD LYS A 570 0.233 4.813 14.753 1.00 0.00 C ATOM 585 CE LYS A 570 -0.230 6.123 14.136 1.00 0.00 C ATOM 586 NZ LYS A 570 0.448 6.396 12.838 1.00 0.00 N ATOM 0 H LYS A 570 1.212 1.902 12.419 1.00 0.00 H new ATOM 0 HA LYS A 570 2.213 2.858 14.866 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.412 1.490 14.153 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -0.110 2.325 15.664 1.00 0.00 H new ATOM 0 HG2 LYS A 570 0.101 3.663 12.946 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -1.364 3.655 13.907 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -0.119 4.750 15.783 1.00 0.00 H new ATOM 0 HD3 LYS A 570 1.322 4.791 14.787 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -1.309 6.091 13.982 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -0.031 6.941 14.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -0.001 7.213 12.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 1.453 6.603 13.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 0.366 5.563 12.221 1.00 0.00 H new ATOM 686 N LYS A 577 1.313 -4.200 15.379 1.00 0.00 N ATOM 687 CA LYS A 577 -0.060 -4.690 15.402 1.00 0.00 C ATOM 688 C LYS A 577 -0.673 -4.655 14.005 1.00 0.00 C ATOM 689 O LYS A 577 -1.892 -4.584 13.853 1.00 0.00 O ATOM 690 CB LYS A 577 -0.907 -3.853 16.363 1.00 0.00 C ATOM 691 CG LYS A 577 -0.302 -3.721 17.750 1.00 0.00 C ATOM 692 CD LYS A 577 -0.230 -5.065 18.456 1.00 0.00 C ATOM 693 CE LYS A 577 -1.574 -5.454 19.052 1.00 0.00 C ATOM 694 NZ LYS A 577 -2.491 -6.025 18.027 1.00 0.00 N ATOM 0 HA LYS A 577 -0.045 -5.724 15.748 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -1.045 -2.858 15.940 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -1.896 -4.303 16.449 1.00 0.00 H new ATOM 0 HG2 LYS A 577 0.698 -3.295 17.673 1.00 0.00 H new ATOM 0 HG3 LYS A 577 -0.898 -3.028 18.344 1.00 0.00 H new ATOM 0 HD2 LYS A 577 0.092 -5.831 17.750 1.00 0.00 H new ATOM 0 HD3 LYS A 577 0.521 -5.023 19.245 1.00 0.00 H new ATOM 0 HE2 LYS A 577 -1.421 -6.182 19.848 1.00 0.00 H new ATOM 0 HE3 LYS A 577 -2.037 -4.578 19.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 -2.898 -6.914 18.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 -3.256 -5.348 17.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -1.960 -6.212 17.152 1.00 0.00 H new ATOM 708 N GLY A 578 0.181 -4.707 12.987 1.00 0.00 N ATOM 709 CA GLY A 578 -0.296 -4.682 11.617 1.00 0.00 C ATOM 710 C GLY A 578 -1.284 -3.560 11.368 1.00 0.00 C ATOM 711 O GLY A 578 -2.375 -3.790 10.844 1.00 0.00 O ATOM 0 H GLY A 578 1.194 -4.766 13.087 1.00 0.00 H new ATOM 0 HA2 GLY A 578 0.553 -4.571 10.942 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -0.768 -5.636 11.382 1.00 0.00 H new ATOM 715 N CYS A 579 -0.904 -2.345 11.744 1.00 0.00 N ATOM 716 CA CYS A 579 -1.766 -1.182 11.561 1.00 0.00 C ATOM 717 C CYS A 579 -0.945 0.055 11.216 1.00 0.00 C ATOM 718 O CYS A 579 0.166 0.235 11.714 1.00 0.00 O ATOM 719 CB CYS A 579 -2.589 -0.928 12.824 1.00 0.00 C ATOM 720 SG CYS A 579 -1.614 -0.896 14.346 1.00 0.00 S ATOM 0 H CYS A 579 -0.004 -2.139 12.178 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.442 -1.389 10.731 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -3.111 0.023 12.719 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.351 -1.702 12.910 1.00 0.00 H new ATOM 0 HG CYS A 579 -0.366 -0.677 14.057 1.00 0.00 H new ATOM 726 N GLY A 580 -1.498 0.907 10.357 1.00 0.00 N ATOM 727 CA GLY A 580 -0.802 2.116 9.958 1.00 0.00 C ATOM 728 C GLY A 580 -1.709 3.099 9.245 1.00 0.00 C ATOM 729 O GLY A 580 -2.912 2.868 9.123 1.00 0.00 O ATOM 0 H GLY A 580 -2.416 0.781 9.931 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.376 2.594 10.840 1.00 0.00 H new ATOM 0 HA3 GLY A 580 0.030 1.854 9.304 1.00 0.00 H new ATOM 733 N VAL A 581 -1.133 4.200 8.775 1.00 0.00 N ATOM 734 CA VAL A 581 -1.897 5.223 8.071 1.00 0.00 C ATOM 735 C VAL A 581 -1.133 5.743 6.859 1.00 0.00 C ATOM 736 O VAL A 581 0.096 5.682 6.813 1.00 0.00 O ATOM 737 CB VAL A 581 -2.238 6.406 8.996 1.00 0.00 C ATOM 738 CG1 VAL A 581 -3.421 6.063 9.889 1.00 0.00 C ATOM 739 CG2 VAL A 581 -1.026 6.795 9.830 1.00 0.00 C ATOM 0 H VAL A 581 -0.139 4.407 8.869 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.823 4.753 7.739 1.00 0.00 H new ATOM 0 HB VAL A 581 -2.516 7.260 8.378 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -3.647 6.911 10.535 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -4.290 5.836 9.271 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -3.175 5.195 10.501 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -1.284 7.633 10.478 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.716 5.946 10.440 1.00 0.00 H new ATOM 0 HG23 VAL A 581 -0.208 7.085 9.170 1.00 0.00 H new ATOM 749 N VAL A 582 -1.869 6.257 5.878 1.00 0.00 N ATOM 750 CA VAL A 582 -1.261 6.791 4.665 1.00 0.00 C ATOM 751 C VAL A 582 -1.948 8.079 4.227 1.00 0.00 C ATOM 752 O VAL A 582 -3.173 8.140 4.127 1.00 0.00 O ATOM 753 CB VAL A 582 -1.322 5.772 3.512 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.919 6.426 2.199 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.435 4.573 3.813 1.00 0.00 C ATOM 0 H VAL A 582 -2.887 6.315 5.900 1.00 0.00 H new ATOM 0 HA VAL A 582 -0.218 7.001 4.900 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.349 5.421 3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.968 5.691 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.599 7.249 1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.099 6.807 2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.490 3.863 2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.596 4.905 3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -0.774 4.091 4.730 1.00 0.00 H new ATOM 765 N LYS A 583 -1.150 9.109 3.966 1.00 0.00 N ATOM 766 CA LYS A 583 -1.679 10.398 3.537 1.00 0.00 C ATOM 767 C LYS A 583 -1.343 10.663 2.072 1.00 0.00 C ATOM 768 O LYS A 583 -0.316 10.208 1.568 1.00 0.00 O ATOM 769 CB LYS A 583 -1.116 11.521 4.411 1.00 0.00 C ATOM 770 CG LYS A 583 -1.984 11.847 5.615 1.00 0.00 C ATOM 771 CD LYS A 583 -1.661 10.945 6.795 1.00 0.00 C ATOM 772 CE LYS A 583 -2.347 11.423 8.066 1.00 0.00 C ATOM 773 NZ LYS A 583 -1.565 12.490 8.749 1.00 0.00 N ATOM 0 H LYS A 583 -0.134 9.076 4.044 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.763 10.371 3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 583 -0.122 11.238 4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -0.999 12.419 3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -1.836 12.888 5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -3.035 11.736 5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 583 -1.976 9.926 6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -0.582 10.919 6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 583 -3.341 11.800 7.823 1.00 0.00 H new ATOM 0 HE3 LYS A 583 -2.482 10.581 8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -2.065 12.789 9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -0.626 12.123 9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 -1.457 13.304 8.111 1.00 0.00 H new ATOM 787 N PHE A 584 -2.215 11.403 1.395 1.00 0.00 N ATOM 788 CA PHE A 584 -2.010 11.730 -0.011 1.00 0.00 C ATOM 789 C PHE A 584 -2.124 13.234 -0.243 1.00 0.00 C ATOM 790 O PHE A 584 -2.540 13.978 0.644 1.00 0.00 O ATOM 791 CB PHE A 584 -3.028 10.990 -0.882 1.00 0.00 C ATOM 792 CG PHE A 584 -2.939 9.495 -0.769 1.00 0.00 C ATOM 793 CD1 PHE A 584 -3.589 8.824 0.255 1.00 0.00 C ATOM 794 CD2 PHE A 584 -2.207 8.760 -1.687 1.00 0.00 C ATOM 795 CE1 PHE A 584 -3.508 7.449 0.361 1.00 0.00 C ATOM 796 CE2 PHE A 584 -2.123 7.384 -1.586 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.775 6.728 -0.561 1.00 0.00 C ATOM 0 H PHE A 584 -3.070 11.787 1.797 1.00 0.00 H new ATOM 0 HA PHE A 584 -1.005 11.413 -0.289 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -4.032 11.308 -0.603 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -2.880 11.277 -1.923 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -4.165 9.382 0.978 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -1.696 9.268 -2.491 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -4.018 6.938 1.165 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -1.548 6.823 -2.308 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.712 5.653 -0.480 1.00 0.00 H new ATOM 807 N GLU A 585 -1.749 13.672 -1.441 1.00 0.00 N ATOM 808 CA GLU A 585 -1.808 15.087 -1.788 1.00 0.00 C ATOM 809 C GLU A 585 -3.254 15.551 -1.938 1.00 0.00 C ATOM 810 O GLU A 585 -3.631 16.611 -1.440 1.00 0.00 O ATOM 811 CB GLU A 585 -1.039 15.349 -3.085 1.00 0.00 C ATOM 812 CG GLU A 585 0.451 15.562 -2.878 1.00 0.00 C ATOM 813 CD GLU A 585 1.089 16.354 -4.002 1.00 0.00 C ATOM 814 OE1 GLU A 585 0.887 15.984 -5.178 1.00 0.00 O ATOM 815 OE2 GLU A 585 1.790 17.344 -3.706 1.00 0.00 O ATOM 0 H GLU A 585 -1.402 13.068 -2.186 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.346 15.653 -0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -1.186 14.507 -3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.458 16.228 -3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.612 16.083 -1.934 1.00 0.00 H new ATOM 0 HG3 GLU A 585 0.945 14.594 -2.795 1.00 0.00 H new ATOM 822 N SER A 586 -4.058 14.749 -2.629 1.00 0.00 N ATOM 823 CA SER A 586 -5.461 15.079 -2.849 1.00 0.00 C ATOM 824 C SER A 586 -6.371 14.094 -2.121 1.00 0.00 C ATOM 825 O SER A 586 -6.004 12.949 -1.858 1.00 0.00 O ATOM 826 CB SER A 586 -5.779 15.075 -4.345 1.00 0.00 C ATOM 827 OG SER A 586 -5.516 16.341 -4.926 1.00 0.00 O ATOM 0 H SER A 586 -3.762 13.866 -3.046 1.00 0.00 H new ATOM 0 HA SER A 586 -5.641 16.077 -2.449 1.00 0.00 H new ATOM 0 HB2 SER A 586 -5.183 14.311 -4.845 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.826 14.812 -4.497 1.00 0.00 H new ATOM 0 HG SER A 586 -5.726 16.312 -5.883 1.00 0.00 H new ATOM 833 N PRO A 587 -7.588 14.549 -1.789 1.00 0.00 N ATOM 834 CA PRO A 587 -8.577 13.724 -1.088 1.00 0.00 C ATOM 835 C PRO A 587 -9.128 12.607 -1.967 1.00 0.00 C ATOM 836 O PRO A 587 -9.449 11.523 -1.479 1.00 0.00 O ATOM 837 CB PRO A 587 -9.684 14.721 -0.735 1.00 0.00 C ATOM 838 CG PRO A 587 -9.559 15.802 -1.753 1.00 0.00 C ATOM 839 CD PRO A 587 -8.093 15.903 -2.072 1.00 0.00 C ATOM 0 HA PRO A 587 -8.147 13.219 -0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.667 14.252 -0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.558 15.112 0.275 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -10.137 15.566 -2.646 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -9.940 16.747 -1.367 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -7.927 16.185 -3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.598 16.653 -1.455 1.00 0.00 H new ATOM 847 N GLU A 588 -9.233 12.877 -3.264 1.00 0.00 N ATOM 848 CA GLU A 588 -9.746 11.893 -4.210 1.00 0.00 C ATOM 849 C GLU A 588 -8.832 10.673 -4.274 1.00 0.00 C ATOM 850 O GLU A 588 -9.295 9.544 -4.438 1.00 0.00 O ATOM 851 CB GLU A 588 -9.883 12.514 -5.602 1.00 0.00 C ATOM 852 CG GLU A 588 -8.564 12.984 -6.192 1.00 0.00 C ATOM 853 CD GLU A 588 -8.721 13.559 -7.586 1.00 0.00 C ATOM 854 OE1 GLU A 588 -9.507 12.993 -8.375 1.00 0.00 O ATOM 855 OE2 GLU A 588 -8.059 14.573 -7.888 1.00 0.00 O ATOM 0 H GLU A 588 -8.970 13.769 -3.684 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.729 11.572 -3.865 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.332 11.783 -6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -10.569 13.360 -5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -8.126 13.739 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -7.866 12.147 -6.225 1.00 0.00 H new ATOM 862 N VAL A 589 -7.530 10.908 -4.143 1.00 0.00 N ATOM 863 CA VAL A 589 -6.550 9.829 -4.185 1.00 0.00 C ATOM 864 C VAL A 589 -6.615 8.978 -2.922 1.00 0.00 C ATOM 865 O VAL A 589 -6.492 7.755 -2.979 1.00 0.00 O ATOM 866 CB VAL A 589 -5.120 10.376 -4.349 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.114 9.236 -4.402 1.00 0.00 C ATOM 868 CG2 VAL A 589 -5.021 11.244 -5.595 1.00 0.00 C ATOM 0 H VAL A 589 -7.130 11.836 -4.007 1.00 0.00 H new ATOM 0 HA VAL A 589 -6.796 9.211 -5.049 1.00 0.00 H new ATOM 0 HB VAL A 589 -4.885 10.995 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -3.109 9.642 -4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.168 8.660 -3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.343 8.588 -5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -4.004 11.622 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.276 10.650 -6.473 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.713 12.082 -5.511 1.00 0.00 H new ATOM 878 N ALA A 590 -6.810 9.634 -1.783 1.00 0.00 N ATOM 879 CA ALA A 590 -6.895 8.937 -0.505 1.00 0.00 C ATOM 880 C ALA A 590 -8.016 7.904 -0.517 1.00 0.00 C ATOM 881 O ALA A 590 -7.788 6.724 -0.252 1.00 0.00 O ATOM 882 CB ALA A 590 -7.103 9.932 0.626 1.00 0.00 C ATOM 0 H ALA A 590 -6.912 10.647 -1.719 1.00 0.00 H new ATOM 0 HA ALA A 590 -5.954 8.411 -0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.165 9.398 1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.265 10.629 0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.028 10.484 0.460 1.00 0.00 H new ATOM 888 N GLU A 591 -9.228 8.356 -0.824 1.00 0.00 N ATOM 889 CA GLU A 591 -10.385 7.469 -0.868 1.00 0.00 C ATOM 890 C GLU A 591 -10.254 6.459 -2.004 1.00 0.00 C ATOM 891 O GLU A 591 -10.841 5.378 -1.959 1.00 0.00 O ATOM 892 CB GLU A 591 -11.671 8.281 -1.038 1.00 0.00 C ATOM 893 CG GLU A 591 -12.063 8.504 -2.489 1.00 0.00 C ATOM 894 CD GLU A 591 -12.965 9.709 -2.670 1.00 0.00 C ATOM 895 OE1 GLU A 591 -12.464 10.847 -2.554 1.00 0.00 O ATOM 896 OE2 GLU A 591 -14.171 9.515 -2.929 1.00 0.00 O ATOM 0 H GLU A 591 -9.434 9.330 -1.046 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.429 6.924 0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.485 7.768 -0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.547 9.248 -0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.162 8.635 -3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.570 7.615 -2.865 1.00 0.00 H new ATOM 903 N ARG A 592 -9.481 6.821 -3.023 1.00 0.00 N ATOM 904 CA ARG A 592 -9.274 5.948 -4.173 1.00 0.00 C ATOM 905 C ARG A 592 -8.546 4.672 -3.762 1.00 0.00 C ATOM 906 O ARG A 592 -8.928 3.572 -4.161 1.00 0.00 O ATOM 907 CB ARG A 592 -8.476 6.677 -5.256 1.00 0.00 C ATOM 908 CG ARG A 592 -8.146 5.807 -6.457 1.00 0.00 C ATOM 909 CD ARG A 592 -7.124 6.475 -7.365 1.00 0.00 C ATOM 910 NE ARG A 592 -7.656 7.681 -7.993 1.00 0.00 N ATOM 911 CZ ARG A 592 -6.996 8.389 -8.902 1.00 0.00 C ATOM 912 NH1 ARG A 592 -5.784 8.013 -9.288 1.00 0.00 N ATOM 913 NH2 ARG A 592 -7.547 9.475 -9.428 1.00 0.00 N ATOM 0 H ARG A 592 -8.988 7.712 -3.076 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.251 5.676 -4.572 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.043 7.545 -5.592 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -7.548 7.051 -4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -7.759 4.847 -6.117 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -9.056 5.602 -7.021 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -6.236 6.729 -6.786 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -6.811 5.772 -8.137 1.00 0.00 H new ATOM 0 HE ARG A 592 -8.586 7.997 -7.718 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -5.357 7.178 -8.886 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -5.279 8.559 -9.986 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -8.479 9.767 -9.134 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -7.039 10.018 -10.126 1.00 0.00 H new ATOM 927 N ALA A 593 -7.496 4.827 -2.962 1.00 0.00 N ATOM 928 CA ALA A 593 -6.716 3.687 -2.496 1.00 0.00 C ATOM 929 C ALA A 593 -7.542 2.796 -1.575 1.00 0.00 C ATOM 930 O ALA A 593 -7.302 1.592 -1.482 1.00 0.00 O ATOM 931 CB ALA A 593 -5.458 4.164 -1.785 1.00 0.00 C ATOM 0 H ALA A 593 -7.166 5.731 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.427 3.096 -3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.885 3.302 -1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -4.852 4.752 -2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.735 4.779 -0.929 1.00 0.00 H new ATOM 937 N CYS A 594 -8.514 3.395 -0.896 1.00 0.00 N ATOM 938 CA CYS A 594 -9.375 2.655 0.020 1.00 0.00 C ATOM 939 C CYS A 594 -10.268 1.681 -0.741 1.00 0.00 C ATOM 940 O CYS A 594 -10.778 0.716 -0.171 1.00 0.00 O ATOM 941 CB CYS A 594 -10.234 3.621 0.838 1.00 0.00 C ATOM 942 SG CYS A 594 -9.288 4.699 1.938 1.00 0.00 S ATOM 0 H CYS A 594 -8.726 4.391 -0.962 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.739 2.084 0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -10.818 4.239 0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -10.943 3.045 1.433 1.00 0.00 H new ATOM 0 HG CYS A 594 -8.989 5.800 1.315 1.00 0.00 H new ATOM 948 N ARG A 595 -10.455 1.941 -2.031 1.00 0.00 N ATOM 949 CA ARG A 595 -11.290 1.089 -2.869 1.00 0.00 C ATOM 950 C ARG A 595 -10.450 0.021 -3.565 1.00 0.00 C ATOM 951 O ARG A 595 -10.902 -1.106 -3.762 1.00 0.00 O ATOM 952 CB ARG A 595 -12.030 1.930 -3.911 1.00 0.00 C ATOM 953 CG ARG A 595 -13.175 2.746 -3.333 1.00 0.00 C ATOM 954 CD ARG A 595 -13.662 3.797 -4.318 1.00 0.00 C ATOM 955 NE ARG A 595 -14.635 3.253 -5.261 1.00 0.00 N ATOM 956 CZ ARG A 595 -15.910 3.032 -4.958 1.00 0.00 C ATOM 957 NH1 ARG A 595 -16.362 3.308 -3.742 1.00 0.00 N ATOM 958 NH2 ARG A 595 -16.734 2.535 -5.871 1.00 0.00 N ATOM 0 H ARG A 595 -10.039 2.735 -2.518 1.00 0.00 H new ATOM 0 HA ARG A 595 -12.019 0.593 -2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -11.321 2.604 -4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.420 1.271 -4.687 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -13.999 2.083 -3.069 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -12.849 3.231 -2.413 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -14.111 4.626 -3.771 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -12.812 4.201 -4.867 1.00 0.00 H new ATOM 0 HE ARG A 595 -14.319 3.030 -6.205 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -15.731 3.690 -3.038 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -17.341 3.138 -3.511 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -16.389 2.322 -6.807 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -17.712 2.366 -5.637 1.00 0.00 H new ATOM 972 N MET A 596 -9.227 0.386 -3.934 1.00 0.00 N ATOM 973 CA MET A 596 -8.324 -0.541 -4.607 1.00 0.00 C ATOM 974 C MET A 596 -7.610 -1.434 -3.598 1.00 0.00 C ATOM 975 O MET A 596 -7.614 -2.658 -3.727 1.00 0.00 O ATOM 976 CB MET A 596 -7.297 0.229 -5.441 1.00 0.00 C ATOM 977 CG MET A 596 -7.922 1.158 -6.469 1.00 0.00 C ATOM 978 SD MET A 596 -6.875 1.398 -7.916 1.00 0.00 S ATOM 979 CE MET A 596 -5.935 2.840 -7.419 1.00 0.00 C ATOM 0 H MET A 596 -8.838 1.316 -3.779 1.00 0.00 H new ATOM 0 HA MET A 596 -8.918 -1.173 -5.268 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.663 0.813 -4.773 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.650 -0.483 -5.953 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.883 0.751 -6.784 1.00 0.00 H new ATOM 0 HG3 MET A 596 -8.122 2.124 -6.006 1.00 0.00 H new ATOM 0 HE1 MET A 596 -6.205 3.686 -8.051 1.00 0.00 H new ATOM 0 HE2 MET A 596 -6.157 3.078 -6.379 1.00 0.00 H new ATOM 0 HE3 MET A 596 -4.870 2.634 -7.525 1.00 0.00 H new ATOM 989 N MET A 597 -6.998 -0.814 -2.594 1.00 0.00 N ATOM 990 CA MET A 597 -6.281 -1.554 -1.563 1.00 0.00 C ATOM 991 C MET A 597 -7.236 -2.432 -0.760 1.00 0.00 C ATOM 992 O MET A 597 -7.115 -3.656 -0.757 1.00 0.00 O ATOM 993 CB MET A 597 -5.549 -0.589 -0.628 1.00 0.00 C ATOM 994 CG MET A 597 -4.592 0.346 -1.349 1.00 0.00 C ATOM 995 SD MET A 597 -3.729 -0.459 -2.712 1.00 0.00 S ATOM 996 CE MET A 597 -2.066 -0.552 -2.052 1.00 0.00 C ATOM 0 H MET A 597 -6.985 0.199 -2.473 1.00 0.00 H new ATOM 0 HA MET A 597 -5.551 -2.197 -2.054 1.00 0.00 H new ATOM 0 HB2 MET A 597 -6.284 0.005 -0.084 1.00 0.00 H new ATOM 0 HB3 MET A 597 -4.993 -1.164 0.112 1.00 0.00 H new ATOM 0 HG2 MET A 597 -5.146 1.203 -1.731 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.861 0.730 -0.638 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.379 -0.034 -2.721 1.00 0.00 H new ATOM 0 HE2 MET A 597 -2.038 -0.082 -1.069 1.00 0.00 H new ATOM 0 HE3 MET A 597 -1.767 -1.597 -1.964 1.00 0.00 H new ATOM 1006 N ASN A 598 -8.186 -1.797 -0.080 1.00 0.00 N ATOM 1007 CA ASN A 598 -9.161 -2.521 0.728 1.00 0.00 C ATOM 1008 C ASN A 598 -9.577 -3.820 0.043 1.00 0.00 C ATOM 1009 O ASN A 598 -10.342 -3.808 -0.920 1.00 0.00 O ATOM 1010 CB ASN A 598 -10.392 -1.648 0.982 1.00 0.00 C ATOM 1011 CG ASN A 598 -11.370 -2.294 1.945 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -11.379 -1.986 3.137 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -12.198 -3.195 1.430 1.00 0.00 N ATOM 0 H ASN A 598 -8.301 -0.784 -0.073 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.695 -2.767 1.682 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -10.075 -0.685 1.382 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -10.895 -1.450 0.036 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.878 -3.664 2.029 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -12.154 -3.418 0.436 1.00 0.00 H new ATOM 1020 N GLY A 599 -9.069 -4.939 0.550 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.399 -6.230 -0.024 1.00 0.00 C ATOM 1022 C GLY A 599 -8.196 -6.914 -0.644 1.00 0.00 C ATOM 1023 O GLY A 599 -8.339 -7.900 -1.366 1.00 0.00 O ATOM 0 H GLY A 599 -8.435 -4.974 1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -9.819 -6.872 0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -10.170 -6.100 -0.783 1.00 0.00 H new ATOM 1027 N MET A 600 -7.008 -6.388 -0.363 1.00 0.00 N ATOM 1028 CA MET A 600 -5.776 -6.955 -0.898 1.00 0.00 C ATOM 1029 C MET A 600 -5.082 -7.828 0.142 1.00 0.00 C ATOM 1030 O MET A 600 -4.565 -7.329 1.141 1.00 0.00 O ATOM 1031 CB MET A 600 -4.834 -5.840 -1.356 1.00 0.00 C ATOM 1032 CG MET A 600 -4.330 -4.965 -0.219 1.00 0.00 C ATOM 1033 SD MET A 600 -3.599 -3.423 -0.801 1.00 0.00 S ATOM 1034 CE MET A 600 -2.611 -2.960 0.619 1.00 0.00 C ATOM 0 H MET A 600 -6.873 -5.570 0.232 1.00 0.00 H new ATOM 0 HA MET A 600 -6.034 -7.578 -1.754 1.00 0.00 H new ATOM 0 HB2 MET A 600 -3.980 -6.284 -1.868 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.351 -5.214 -2.083 1.00 0.00 H new ATOM 0 HG2 MET A 600 -5.157 -4.739 0.454 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.590 -5.518 0.359 1.00 0.00 H new ATOM 0 HE1 MET A 600 -1.798 -2.308 0.300 1.00 0.00 H new ATOM 0 HE2 MET A 600 -3.236 -2.434 1.341 1.00 0.00 H new ATOM 0 HE3 MET A 600 -2.197 -3.856 1.082 1.00 0.00 H new ATOM 1044 N LYS A 601 -5.075 -9.135 -0.099 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.444 -10.078 0.817 1.00 0.00 C ATOM 1046 C LYS A 601 -2.924 -9.998 0.718 1.00 0.00 C ATOM 1047 O LYS A 601 -2.328 -10.473 -0.249 1.00 0.00 O ATOM 1048 CB LYS A 601 -4.910 -11.504 0.513 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.383 -11.736 0.801 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.693 -13.215 0.965 1.00 0.00 C ATOM 1051 CE LYS A 601 -7.992 -13.432 1.726 1.00 0.00 C ATOM 1052 NZ LYS A 601 -8.318 -14.878 1.866 1.00 0.00 N ATOM 0 H LYS A 601 -5.499 -9.565 -0.921 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.739 -9.813 1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -4.714 -11.726 -0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.318 -12.204 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.666 -11.201 1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -6.983 -11.326 -0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -6.763 -13.684 -0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -5.874 -13.703 1.494 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -7.913 -12.980 2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -8.806 -12.925 1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -9.210 -14.984 2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -8.418 -15.304 0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -7.554 -15.358 2.383 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.302 -9.394 1.725 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.850 -9.253 1.753 1.00 0.00 C ATOM 1068 C LEU A 602 -0.186 -10.546 2.216 1.00 0.00 C ATOM 1069 O LEU A 602 0.034 -10.750 3.410 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.448 -8.101 2.675 1.00 0.00 C ATOM 1071 CG LEU A 602 -0.990 -6.721 2.301 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.231 -5.630 3.040 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -0.908 -6.505 0.797 1.00 0.00 C ATOM 0 H LEU A 602 -2.780 -8.994 2.532 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.511 -9.035 0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.781 -8.338 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.640 -8.047 2.702 1.00 0.00 H new ATOM 0 HG LEU A 602 -2.037 -6.671 2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -0.631 -4.655 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.342 -5.774 4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.825 -5.678 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -1.298 -5.518 0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 602 0.131 -6.576 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.498 -7.267 0.287 1.00 0.00 H new ATOM 1085 N SER A 603 0.135 -11.415 1.263 1.00 0.00 N ATOM 1086 CA SER A 603 0.773 -12.689 1.573 1.00 0.00 C ATOM 1087 C SER A 603 -0.212 -13.640 2.247 1.00 0.00 C ATOM 1088 O SER A 603 0.172 -14.462 3.078 1.00 0.00 O ATOM 1089 CB SER A 603 1.987 -12.468 2.477 1.00 0.00 C ATOM 1090 OG SER A 603 2.971 -13.465 2.262 1.00 0.00 O ATOM 0 H SER A 603 -0.036 -11.260 0.270 1.00 0.00 H new ATOM 0 HA SER A 603 1.103 -13.140 0.637 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.414 -11.484 2.284 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.674 -12.481 3.521 1.00 0.00 H new ATOM 0 HG SER A 603 3.737 -13.301 2.850 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.485 -13.521 1.881 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.505 -14.375 2.459 1.00 0.00 C ATOM 1098 C GLY A 604 -3.176 -13.744 3.663 1.00 0.00 C ATOM 1099 O GLY A 604 -3.871 -14.421 4.421 1.00 0.00 O ATOM 0 H GLY A 604 -1.827 -12.848 1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -3.258 -14.599 1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -2.056 -15.324 2.753 1.00 0.00 H new ATOM 1103 N ARG A 605 -2.965 -12.444 3.842 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.552 -11.723 4.965 1.00 0.00 C ATOM 1105 C ARG A 605 -4.482 -10.617 4.474 1.00 0.00 C ATOM 1106 O ARG A 605 -4.033 -9.630 3.891 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.453 -11.126 5.846 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.703 -12.162 6.668 1.00 0.00 C ATOM 1109 CD ARG A 605 -1.090 -11.544 7.916 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.612 -12.560 8.851 1.00 0.00 N ATOM 1111 CZ ARG A 605 -1.418 -13.357 9.544 1.00 0.00 C ATOM 1112 NH1 ARG A 605 -2.733 -13.258 9.407 1.00 0.00 N ATOM 1113 NH2 ARG A 605 -0.907 -14.256 10.375 1.00 0.00 N ATOM 0 H ARG A 605 -2.392 -11.869 3.224 1.00 0.00 H new ATOM 0 HA ARG A 605 -4.136 -12.431 5.554 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.743 -10.592 5.215 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -2.897 -10.392 6.519 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.384 -12.964 6.954 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.918 -12.612 6.060 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.262 -10.896 7.630 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -1.831 -10.916 8.411 1.00 0.00 H new ATOM 0 HE ARG A 605 0.395 -12.663 8.979 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -3.129 -12.568 8.768 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -3.349 -13.871 9.941 1.00 0.00 H new ATOM 0 HH21 ARG A 605 0.104 -14.335 10.482 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -1.525 -14.868 10.907 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.778 -10.790 4.714 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.770 -9.806 4.295 1.00 0.00 C ATOM 1129 C GLU A 606 -6.699 -8.557 5.168 1.00 0.00 C ATOM 1130 O GLU A 606 -6.530 -8.646 6.384 1.00 0.00 O ATOM 1131 CB GLU A 606 -8.175 -10.408 4.358 1.00 0.00 C ATOM 1132 CG GLU A 606 -9.114 -9.874 3.290 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.562 -9.860 3.740 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -11.125 -10.951 3.965 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -11.132 -8.755 3.867 1.00 0.00 O ATOM 0 H GLU A 606 -6.165 -11.601 5.196 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.551 -9.521 3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -8.102 -11.491 4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.603 -10.207 5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.812 -8.862 3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -9.022 -10.485 2.392 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.830 -7.394 4.538 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.782 -6.127 5.257 1.00 0.00 C ATOM 1144 C ILE A 607 -7.955 -5.231 4.871 1.00 0.00 C ATOM 1145 O ILE A 607 -8.506 -5.351 3.777 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.466 -5.375 4.985 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.217 -5.265 3.480 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.303 -6.079 5.670 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -3.924 -4.562 3.131 1.00 0.00 C ATOM 0 H ILE A 607 -6.970 -7.303 3.532 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.843 -6.364 6.319 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.549 -4.368 5.394 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.205 -6.266 3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -6.048 -4.729 3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.380 -5.536 5.469 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.479 -6.110 6.745 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.217 -7.096 5.287 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.813 -4.521 2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -3.941 -3.549 3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -3.085 -5.109 3.561 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.329 -4.334 5.776 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.435 -3.415 5.530 1.00 0.00 C ATOM 1163 C ASP A 608 -8.951 -1.969 5.537 1.00 0.00 C ATOM 1164 O ASP A 608 -8.350 -1.509 6.508 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.528 -3.606 6.582 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.761 -2.773 6.293 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -11.762 -1.573 6.639 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -12.726 -3.321 5.720 1.00 0.00 O ATOM 0 H ASP A 608 -7.883 -4.223 6.687 1.00 0.00 H new ATOM 0 HA ASP A 608 -9.847 -3.636 4.546 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -10.806 -4.659 6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -10.135 -3.339 7.563 1.00 0.00 H new ATOM 1173 N VAL A 609 -9.217 -1.256 4.447 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.808 0.139 4.328 1.00 0.00 C ATOM 1175 C VAL A 609 -10.020 1.060 4.230 1.00 0.00 C ATOM 1176 O VAL A 609 -10.929 0.823 3.435 1.00 0.00 O ATOM 1177 CB VAL A 609 -7.911 0.358 3.096 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -7.228 1.715 3.166 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.884 -0.759 2.980 1.00 0.00 C ATOM 0 H VAL A 609 -9.714 -1.621 3.634 1.00 0.00 H new ATOM 0 HA VAL A 609 -8.242 0.381 5.228 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.538 0.339 2.204 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -6.598 1.851 2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -7.983 2.501 3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.613 1.767 4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -6.258 -0.588 2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -6.260 -0.774 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -7.397 -1.716 2.879 1.00 0.00 H new ATOM 1189 N ARG A 610 -10.024 2.111 5.044 1.00 0.00 N ATOM 1190 CA ARG A 610 -11.125 3.067 5.050 1.00 0.00 C ATOM 1191 C ARG A 610 -10.614 4.481 5.313 1.00 0.00 C ATOM 1192 O ARG A 610 -9.572 4.668 5.941 1.00 0.00 O ATOM 1193 CB ARG A 610 -12.158 2.681 6.109 1.00 0.00 C ATOM 1194 CG ARG A 610 -12.466 1.193 6.146 1.00 0.00 C ATOM 1195 CD ARG A 610 -13.231 0.751 4.909 1.00 0.00 C ATOM 1196 NE ARG A 610 -14.676 0.830 5.102 1.00 0.00 N ATOM 1197 CZ ARG A 610 -15.561 0.403 4.208 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -15.150 -0.129 3.065 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -16.860 0.509 4.456 1.00 0.00 N ATOM 0 H ARG A 610 -9.278 2.322 5.707 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.598 3.046 4.068 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -11.795 2.993 7.089 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -13.081 3.230 5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -11.536 0.630 6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -13.050 0.963 7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -12.944 1.375 4.063 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -12.954 -0.273 4.658 1.00 0.00 H new ATOM 0 HE ARG A 610 -15.025 1.235 5.971 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -14.152 -0.211 2.870 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -15.832 -0.456 2.380 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -17.180 0.919 5.334 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -17.539 0.181 3.769 1.00 0.00 H new ATOM 1213 N ILE A 611 -11.355 5.472 4.828 1.00 0.00 N ATOM 1214 CA ILE A 611 -10.978 6.868 5.012 1.00 0.00 C ATOM 1215 C ILE A 611 -11.102 7.283 6.474 1.00 0.00 C ATOM 1216 O ILE A 611 -12.204 7.357 7.017 1.00 0.00 O ATOM 1217 CB ILE A 611 -11.845 7.803 4.149 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.504 7.628 2.668 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.649 9.250 4.575 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -10.179 8.245 2.275 1.00 0.00 C ATOM 0 H ILE A 611 -12.220 5.334 4.305 1.00 0.00 H new ATOM 0 HA ILE A 611 -9.938 6.958 4.699 1.00 0.00 H new ATOM 0 HB ILE A 611 -12.893 7.540 4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.484 6.564 2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -12.296 8.074 2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -12.268 9.899 3.956 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -11.936 9.364 5.620 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -10.601 9.526 4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -10.003 8.082 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -10.201 9.315 2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -9.377 7.782 2.850 1.00 0.00 H new ATOM 1232 N ASP A 612 -9.965 7.555 7.104 1.00 0.00 N ATOM 1233 CA ASP A 612 -9.946 7.966 8.503 1.00 0.00 C ATOM 1234 C ASP A 612 -10.346 9.431 8.644 1.00 0.00 C ATOM 1235 O ASP A 612 -9.493 10.319 8.658 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.556 7.744 9.103 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.603 7.507 10.600 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -9.464 6.721 11.050 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -7.779 8.107 11.321 1.00 0.00 O ATOM 0 H ASP A 612 -9.044 7.498 6.668 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.669 7.357 9.045 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -8.086 6.889 8.617 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -7.931 8.612 8.895 1.00 0.00 H new