USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 909 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 600 THR OG1 : rot -72:sc= -0.349! USER MOD Set 1.2: A 605 GLN : amide:sc= -1.94! X(o=-2.3!,f=-2.1) USER MOD Single : A 521 THR OG1 : rot 180:sc= 0.0404 USER MOD Single : A 530 GLN :FLIP amide:sc= -0.0861 F(o=-1.7!,f=-0.086) USER MOD Single : A 531 HIS : no HD1:sc= -0.625 X(o=-0.63,f=-0.87) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 LYS NZ :NH3+ -171:sc= -0.014 (180deg=-0.119) USER MOD Single : A 543 SER OG : rot -35:sc= 0.0111 USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 547 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.33) USER MOD Single : A 550 THR OG1 : rot 108:sc= 0.728 USER MOD Single : A 552 TYR OH : rot 130:sc= 0.351 USER MOD Single : A 553 TYR OH : rot 180:sc= 0 USER MOD Single : A 556 CYS SG : rot 180:sc=-0.00951 USER MOD Single : A 558 LYS NZ :NH3+ 155:sc= -0.0823 (180deg=-0.583) USER MOD Single : A 560 MET CE :methyl 143:sc= -0.796 (180deg=-1.93!) USER MOD Single : A 561 LYS NZ :NH3+ -158:sc= 1.21 (180deg=1.07) USER MOD Single : A 562 GLN : amide:sc= -1 X(o=-1,f=-1.2) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 TYR OH : rot 150:sc= 0 USER MOD Single : A 571 SER OG : rot 180:sc= 0 USER MOD Single : A 573 ASN :FLIP amide:sc= -0.175 F(o=-2.1!,f=-0.18) USER MOD Single : A 576 HIS : no HD1:sc= 0.152 K(o=0.15,f=-1.4!) USER MOD Single : A 577 SER OG : rot 180:sc= 0.0221 USER MOD Single : A 582 HIS : no HD1:sc= -0.0427 K(o=-0.043,f=-10!) USER MOD Single : A 584 SER OG : rot 160:sc= 0 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 589 MET CE :methyl 163:sc= -0.077 (180deg=-0.48) USER MOD Single : A 608 GLN : amide:sc= -0.0265 X(o=-0.026,f=-0.31) USER MOD Single : A 610 SER OG : rot 180:sc= 0 USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.19) USER MOD Single : A 622 THR OG1 : rot 180:sc= 0 USER MOD Single : A 624 SER OG : rot 44:sc= 0.632 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 516 11.815 13.549 10.290 1.00 0.00 N ATOM 2 CA ARG A 516 12.030 13.972 8.887 1.00 0.00 C ATOM 3 C ARG A 516 10.799 13.685 8.043 1.00 0.00 C ATOM 4 O ARG A 516 10.059 12.737 8.311 1.00 0.00 O ATOM 5 CB ARG A 516 13.232 13.243 8.282 1.00 0.00 C ATOM 6 CG ARG A 516 14.554 13.566 8.954 1.00 0.00 C ATOM 7 CD ARG A 516 15.706 12.850 8.268 1.00 0.00 C ATOM 8 NE ARG A 516 17.004 13.247 8.806 1.00 0.00 N ATOM 9 CZ ARG A 516 18.174 12.871 8.290 1.00 0.00 C ATOM 10 NH1 ARG A 516 18.213 12.050 7.246 1.00 0.00 N ATOM 11 NH2 ARG A 516 19.305 13.309 8.825 1.00 0.00 N ATOM 0 HA ARG A 516 12.222 15.045 8.891 1.00 0.00 H new ATOM 0 HB2 ARG A 516 13.059 12.168 8.341 1.00 0.00 H new ATOM 0 HB3 ARG A 516 13.303 13.497 7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 516 14.725 14.642 8.929 1.00 0.00 H new ATOM 0 HG3 ARG A 516 14.513 13.274 10.003 1.00 0.00 H new ATOM 0 HD2 ARG A 516 15.582 11.773 8.383 1.00 0.00 H new ATOM 0 HD3 ARG A 516 15.678 13.062 7.199 1.00 0.00 H new ATOM 0 HE ARG A 516 17.016 13.850 9.629 1.00 0.00 H new ATOM 0 HH11 ARG A 516 17.345 11.705 6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 516 19.111 11.765 6.855 1.00 0.00 H new ATOM 0 HH21 ARG A 516 19.280 13.933 9.631 1.00 0.00 H new ATOM 0 HH22 ARG A 516 20.201 13.022 8.431 1.00 0.00 H new ATOM 27 N ARG A 517 10.576 14.513 7.033 1.00 0.00 N ATOM 28 CA ARG A 517 9.513 14.270 6.069 1.00 0.00 C ATOM 29 C ARG A 517 10.061 13.467 4.901 1.00 0.00 C ATOM 30 O ARG A 517 11.281 13.354 4.737 1.00 0.00 O ATOM 31 CB ARG A 517 8.925 15.584 5.552 1.00 0.00 C ATOM 32 CG ARG A 517 8.282 16.438 6.626 1.00 0.00 C ATOM 33 CD ARG A 517 7.641 17.678 6.032 1.00 0.00 C ATOM 34 NE ARG A 517 7.101 18.567 7.057 1.00 0.00 N ATOM 35 CZ ARG A 517 6.263 19.570 6.802 1.00 0.00 C ATOM 36 NH1 ARG A 517 5.835 19.784 5.562 1.00 0.00 N ATOM 37 NH2 ARG A 517 5.850 20.356 7.788 1.00 0.00 N ATOM 0 H ARG A 517 11.118 15.360 6.860 1.00 0.00 H new ATOM 0 HA ARG A 517 8.720 13.712 6.567 1.00 0.00 H new ATOM 0 HB2 ARG A 517 9.716 16.159 5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 517 8.182 15.361 4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 517 7.529 15.855 7.156 1.00 0.00 H new ATOM 0 HG3 ARG A 517 9.033 16.730 7.360 1.00 0.00 H new ATOM 0 HD2 ARG A 517 8.379 18.217 5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 517 6.841 17.381 5.353 1.00 0.00 H new ATOM 0 HE ARG A 517 7.382 18.411 8.025 1.00 0.00 H new ATOM 0 HH11 ARG A 517 6.148 19.179 4.803 1.00 0.00 H new ATOM 0 HH12 ARG A 517 5.193 20.553 5.370 1.00 0.00 H new ATOM 0 HH21 ARG A 517 6.174 20.192 8.741 1.00 0.00 H new ATOM 0 HH22 ARG A 517 5.208 21.124 7.593 1.00 0.00 H new ATOM 51 N ARG A 518 9.171 12.916 4.096 1.00 0.00 N ATOM 52 CA ARG A 518 9.574 12.161 2.923 1.00 0.00 C ATOM 53 C ARG A 518 8.369 11.913 2.035 1.00 0.00 C ATOM 54 O ARG A 518 7.354 11.378 2.483 1.00 0.00 O ATOM 55 CB ARG A 518 10.237 10.837 3.343 1.00 0.00 C ATOM 56 CG ARG A 518 10.874 10.048 2.203 1.00 0.00 C ATOM 57 CD ARG A 518 9.861 9.175 1.475 1.00 0.00 C ATOM 58 NE ARG A 518 9.212 8.234 2.384 1.00 0.00 N ATOM 59 CZ ARG A 518 8.666 7.082 2.010 1.00 0.00 C ATOM 60 NH1 ARG A 518 8.641 6.731 0.732 1.00 0.00 N ATOM 61 NH2 ARG A 518 8.125 6.284 2.919 1.00 0.00 N ATOM 0 H ARG A 518 8.162 12.977 4.233 1.00 0.00 H new ATOM 0 HA ARG A 518 10.306 12.737 2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 518 11.002 11.051 4.089 1.00 0.00 H new ATOM 0 HB3 ARG A 518 9.488 10.209 3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 518 11.331 10.739 1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 518 11.674 9.422 2.599 1.00 0.00 H new ATOM 0 HD2 ARG A 518 9.107 9.806 1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 518 10.360 8.626 0.677 1.00 0.00 H new ATOM 0 HE ARG A 518 9.175 8.478 3.374 1.00 0.00 H new ATOM 0 HH11 ARG A 518 9.043 7.347 0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 518 8.220 5.844 0.455 1.00 0.00 H new ATOM 0 HH21 ARG A 518 8.129 6.555 3.902 1.00 0.00 H new ATOM 0 HH22 ARG A 518 7.705 5.399 2.635 1.00 0.00 H new ATOM 75 N ILE A 519 8.475 12.326 0.786 1.00 0.00 N ATOM 76 CA ILE A 519 7.401 12.131 -0.167 1.00 0.00 C ATOM 77 C ILE A 519 7.878 11.242 -1.301 1.00 0.00 C ATOM 78 O ILE A 519 9.016 11.356 -1.753 1.00 0.00 O ATOM 79 CB ILE A 519 6.901 13.464 -0.748 1.00 0.00 C ATOM 80 CG1 ILE A 519 6.918 14.551 0.332 1.00 0.00 C ATOM 81 CG2 ILE A 519 5.499 13.295 -1.321 1.00 0.00 C ATOM 82 CD1 ILE A 519 6.290 15.858 -0.103 1.00 0.00 C ATOM 0 H ILE A 519 9.296 12.799 0.408 1.00 0.00 H new ATOM 0 HA ILE A 519 6.573 11.660 0.363 1.00 0.00 H new ATOM 0 HB ILE A 519 7.567 13.770 -1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 519 6.393 14.182 1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 519 7.950 14.737 0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 519 5.156 14.246 -1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 519 5.517 12.546 -2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 519 4.820 12.973 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 519 6.340 16.576 0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 519 6.829 16.252 -0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 519 5.248 15.689 -0.373 1.00 0.00 H new ATOM 94 N ALA A 520 7.011 10.364 -1.754 1.00 0.00 N ATOM 95 CA ALA A 520 7.359 9.411 -2.787 1.00 0.00 C ATOM 96 C ALA A 520 6.598 9.706 -4.065 1.00 0.00 C ATOM 97 O ALA A 520 5.502 10.265 -4.028 1.00 0.00 O ATOM 98 CB ALA A 520 7.077 7.997 -2.316 1.00 0.00 C ATOM 0 H ALA A 520 6.050 10.289 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 520 8.425 9.502 -2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 520 7.343 7.291 -3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.667 7.786 -1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 520 6.017 7.896 -2.082 1.00 0.00 H new ATOM 104 N THR A 521 7.182 9.338 -5.190 1.00 0.00 N ATOM 105 CA THR A 521 6.536 9.473 -6.477 1.00 0.00 C ATOM 106 C THR A 521 6.005 8.130 -6.940 1.00 0.00 C ATOM 107 O THR A 521 6.641 7.104 -6.711 1.00 0.00 O ATOM 108 CB THR A 521 7.523 10.024 -7.516 1.00 0.00 C ATOM 109 OG1 THR A 521 8.854 9.609 -7.182 1.00 0.00 O ATOM 110 CG2 THR A 521 7.453 11.538 -7.583 1.00 0.00 C ATOM 0 H THR A 521 8.119 8.937 -5.235 1.00 0.00 H new ATOM 0 HA THR A 521 5.705 10.170 -6.373 1.00 0.00 H new ATOM 0 HB THR A 521 7.252 9.629 -8.495 1.00 0.00 H new ATOM 0 HG1 THR A 521 9.483 9.960 -7.847 1.00 0.00 H new ATOM 0 HG21 THR A 521 8.162 11.902 -8.326 1.00 0.00 H new ATOM 0 HG22 THR A 521 6.445 11.844 -7.863 1.00 0.00 H new ATOM 0 HG23 THR A 521 7.702 11.957 -6.608 1.00 0.00 H new ATOM 118 N PRO A 522 4.836 8.115 -7.595 1.00 0.00 N ATOM 119 CA PRO A 522 4.206 6.878 -8.061 1.00 0.00 C ATOM 120 C PRO A 522 5.156 6.031 -8.900 1.00 0.00 C ATOM 121 O PRO A 522 5.225 4.813 -8.745 1.00 0.00 O ATOM 122 CB PRO A 522 3.027 7.366 -8.921 1.00 0.00 C ATOM 123 CG PRO A 522 3.247 8.828 -9.120 1.00 0.00 C ATOM 124 CD PRO A 522 4.029 9.295 -7.930 1.00 0.00 C ATOM 0 HA PRO A 522 3.904 6.241 -7.230 1.00 0.00 H new ATOM 0 HB2 PRO A 522 2.996 6.842 -9.876 1.00 0.00 H new ATOM 0 HB3 PRO A 522 2.076 7.178 -8.423 1.00 0.00 H new ATOM 0 HG2 PRO A 522 3.793 9.018 -10.044 1.00 0.00 H new ATOM 0 HG3 PRO A 522 2.298 9.358 -9.196 1.00 0.00 H new ATOM 0 HD2 PRO A 522 4.651 10.158 -8.167 1.00 0.00 H new ATOM 0 HD3 PRO A 522 3.378 9.588 -7.106 1.00 0.00 H new ATOM 132 N GLU A 523 5.872 6.694 -9.798 1.00 0.00 N ATOM 133 CA GLU A 523 6.848 6.026 -10.649 1.00 0.00 C ATOM 134 C GLU A 523 7.890 5.274 -9.804 1.00 0.00 C ATOM 135 O GLU A 523 8.282 4.157 -10.140 1.00 0.00 O ATOM 136 CB GLU A 523 7.530 7.039 -11.573 1.00 0.00 C ATOM 137 CG GLU A 523 8.121 8.235 -10.845 1.00 0.00 C ATOM 138 CD GLU A 523 8.886 9.153 -11.768 1.00 0.00 C ATOM 139 OE1 GLU A 523 10.014 8.793 -12.164 1.00 0.00 O ATOM 140 OE2 GLU A 523 8.371 10.244 -12.096 1.00 0.00 O ATOM 0 H GLU A 523 5.795 7.699 -9.957 1.00 0.00 H new ATOM 0 HA GLU A 523 6.323 5.295 -11.263 1.00 0.00 H new ATOM 0 HB2 GLU A 523 8.322 6.535 -12.127 1.00 0.00 H new ATOM 0 HB3 GLU A 523 6.805 7.394 -12.306 1.00 0.00 H new ATOM 0 HG2 GLU A 523 7.320 8.795 -10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 523 8.785 7.884 -10.055 1.00 0.00 H new ATOM 147 N GLU A 524 8.346 5.895 -8.720 1.00 0.00 N ATOM 148 CA GLU A 524 9.257 5.246 -7.787 1.00 0.00 C ATOM 149 C GLU A 524 8.538 4.183 -6.951 1.00 0.00 C ATOM 150 O GLU A 524 9.129 3.179 -6.581 1.00 0.00 O ATOM 151 CB GLU A 524 9.921 6.283 -6.880 1.00 0.00 C ATOM 152 CG GLU A 524 10.861 7.224 -7.621 1.00 0.00 C ATOM 153 CD GLU A 524 11.944 6.496 -8.400 1.00 0.00 C ATOM 154 OE1 GLU A 524 13.013 6.204 -7.819 1.00 0.00 O ATOM 155 OE2 GLU A 524 11.743 6.232 -9.606 1.00 0.00 O ATOM 0 H GLU A 524 8.097 6.851 -8.467 1.00 0.00 H new ATOM 0 HA GLU A 524 10.029 4.744 -8.370 1.00 0.00 H new ATOM 0 HB2 GLU A 524 9.147 6.870 -6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 524 10.478 5.767 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 524 10.281 7.841 -8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 524 11.329 7.899 -6.904 1.00 0.00 H new ATOM 162 N VAL A 525 7.263 4.410 -6.656 1.00 0.00 N ATOM 163 CA VAL A 525 6.476 3.462 -5.863 1.00 0.00 C ATOM 164 C VAL A 525 6.240 2.156 -6.628 1.00 0.00 C ATOM 165 O VAL A 525 6.139 1.082 -6.031 1.00 0.00 O ATOM 166 CB VAL A 525 5.116 4.067 -5.433 1.00 0.00 C ATOM 167 CG1 VAL A 525 4.269 3.043 -4.689 1.00 0.00 C ATOM 168 CG2 VAL A 525 5.330 5.301 -4.569 1.00 0.00 C ATOM 0 H VAL A 525 6.749 5.240 -6.952 1.00 0.00 H new ATOM 0 HA VAL A 525 7.057 3.245 -4.967 1.00 0.00 H new ATOM 0 HB VAL A 525 4.580 4.359 -6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 525 3.321 3.496 -4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 525 4.080 2.188 -5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 525 4.800 2.711 -3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 525 4.364 5.712 -4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 525 5.893 5.027 -3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 525 5.887 6.049 -5.134 1.00 0.00 H new ATOM 178 N ARG A 526 6.162 2.242 -7.951 1.00 0.00 N ATOM 179 CA ARG A 526 5.979 1.050 -8.771 1.00 0.00 C ATOM 180 C ARG A 526 7.309 0.346 -9.002 1.00 0.00 C ATOM 181 O ARG A 526 7.340 -0.807 -9.423 1.00 0.00 O ATOM 182 CB ARG A 526 5.317 1.382 -10.114 1.00 0.00 C ATOM 183 CG ARG A 526 6.131 2.299 -11.005 1.00 0.00 C ATOM 184 CD ARG A 526 5.399 2.617 -12.298 1.00 0.00 C ATOM 185 NE ARG A 526 5.139 1.417 -13.092 1.00 0.00 N ATOM 186 CZ ARG A 526 5.060 1.404 -14.423 1.00 0.00 C ATOM 187 NH1 ARG A 526 5.214 2.528 -15.115 1.00 0.00 N ATOM 188 NH2 ARG A 526 4.825 0.264 -15.059 1.00 0.00 N ATOM 0 H ARG A 526 6.222 3.115 -8.475 1.00 0.00 H new ATOM 0 HA ARG A 526 5.314 0.380 -8.226 1.00 0.00 H new ATOM 0 HB2 ARG A 526 5.124 0.452 -10.650 1.00 0.00 H new ATOM 0 HB3 ARG A 526 4.349 1.846 -9.923 1.00 0.00 H new ATOM 0 HG2 ARG A 526 6.349 3.225 -10.473 1.00 0.00 H new ATOM 0 HG3 ARG A 526 7.088 1.830 -11.234 1.00 0.00 H new ATOM 0 HD2 ARG A 526 4.455 3.110 -12.068 1.00 0.00 H new ATOM 0 HD3 ARG A 526 5.990 3.319 -12.886 1.00 0.00 H new ATOM 0 HE ARG A 526 5.010 0.535 -12.597 1.00 0.00 H new ATOM 0 HH11 ARG A 526 5.394 3.406 -14.628 1.00 0.00 H new ATOM 0 HH12 ARG A 526 5.153 2.513 -16.133 1.00 0.00 H new ATOM 0 HH21 ARG A 526 4.705 -0.600 -14.530 1.00 0.00 H new ATOM 0 HH22 ARG A 526 4.764 0.251 -16.077 1.00 0.00 H new ATOM 202 N LEU A 527 8.404 1.052 -8.733 1.00 0.00 N ATOM 203 CA LEU A 527 9.753 0.512 -8.898 1.00 0.00 C ATOM 204 C LEU A 527 9.921 -0.825 -8.155 1.00 0.00 C ATOM 205 O LEU A 527 10.376 -1.802 -8.751 1.00 0.00 O ATOM 206 CB LEU A 527 10.776 1.549 -8.397 1.00 0.00 C ATOM 207 CG LEU A 527 12.003 1.799 -9.276 1.00 0.00 C ATOM 208 CD1 LEU A 527 12.936 0.606 -9.254 1.00 0.00 C ATOM 209 CD2 LEU A 527 11.587 2.137 -10.698 1.00 0.00 C ATOM 0 H LEU A 527 8.383 2.014 -8.395 1.00 0.00 H new ATOM 0 HA LEU A 527 9.924 0.313 -9.956 1.00 0.00 H new ATOM 0 HB2 LEU A 527 10.257 2.498 -8.263 1.00 0.00 H new ATOM 0 HB3 LEU A 527 11.123 1.233 -7.413 1.00 0.00 H new ATOM 0 HG LEU A 527 12.543 2.654 -8.869 1.00 0.00 H new ATOM 0 HD11 LEU A 527 13.800 0.808 -9.886 1.00 0.00 H new ATOM 0 HD12 LEU A 527 13.269 0.423 -8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 527 12.411 -0.273 -9.628 1.00 0.00 H new ATOM 0 HD21 LEU A 527 12.475 2.311 -11.305 1.00 0.00 H new ATOM 0 HD22 LEU A 527 11.017 1.308 -11.117 1.00 0.00 H new ATOM 0 HD23 LEU A 527 10.970 3.035 -10.693 1.00 0.00 H new ATOM 221 N PRO A 528 9.555 -0.906 -6.852 1.00 0.00 N ATOM 222 CA PRO A 528 9.631 -2.160 -6.094 1.00 0.00 C ATOM 223 C PRO A 528 8.784 -3.260 -6.720 1.00 0.00 C ATOM 224 O PRO A 528 9.171 -4.431 -6.724 1.00 0.00 O ATOM 225 CB PRO A 528 9.077 -1.794 -4.715 1.00 0.00 C ATOM 226 CG PRO A 528 9.214 -0.318 -4.618 1.00 0.00 C ATOM 227 CD PRO A 528 9.060 0.202 -6.012 1.00 0.00 C ATOM 0 HA PRO A 528 10.649 -2.550 -6.066 1.00 0.00 H new ATOM 0 HB2 PRO A 528 8.036 -2.100 -4.615 1.00 0.00 H new ATOM 0 HB3 PRO A 528 9.633 -2.294 -3.922 1.00 0.00 H new ATOM 0 HG2 PRO A 528 8.454 0.102 -3.959 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.184 -0.042 -4.203 1.00 0.00 H new ATOM 0 HD2 PRO A 528 8.021 0.443 -6.238 1.00 0.00 H new ATOM 0 HD3 PRO A 528 9.639 1.112 -6.167 1.00 0.00 H new ATOM 235 N LEU A 529 7.646 -2.862 -7.278 1.00 0.00 N ATOM 236 CA LEU A 529 6.707 -3.804 -7.874 1.00 0.00 C ATOM 237 C LEU A 529 7.337 -4.504 -9.073 1.00 0.00 C ATOM 238 O LEU A 529 6.943 -5.613 -9.435 1.00 0.00 O ATOM 239 CB LEU A 529 5.427 -3.083 -8.313 1.00 0.00 C ATOM 240 CG LEU A 529 4.746 -2.224 -7.243 1.00 0.00 C ATOM 241 CD1 LEU A 529 3.487 -1.580 -7.801 1.00 0.00 C ATOM 242 CD2 LEU A 529 4.412 -3.054 -6.015 1.00 0.00 C ATOM 0 H LEU A 529 7.351 -1.887 -7.330 1.00 0.00 H new ATOM 0 HA LEU A 529 6.454 -4.550 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 529 5.665 -2.447 -9.166 1.00 0.00 H new ATOM 0 HB3 LEU A 529 4.713 -3.829 -8.661 1.00 0.00 H new ATOM 0 HG LEU A 529 5.440 -1.438 -6.947 1.00 0.00 H new ATOM 0 HD11 LEU A 529 3.015 -0.973 -7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 529 3.747 -0.948 -8.650 1.00 0.00 H new ATOM 0 HD13 LEU A 529 2.794 -2.356 -8.126 1.00 0.00 H new ATOM 0 HD21 LEU A 529 3.929 -2.422 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 529 3.739 -3.864 -6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 529 5.328 -3.472 -5.598 1.00 0.00 H new ATOM 254 N GLN A 530 8.330 -3.857 -9.675 1.00 0.00 N ATOM 255 CA GLN A 530 8.990 -4.403 -10.852 1.00 0.00 C ATOM 256 C GLN A 530 10.090 -5.376 -10.447 1.00 0.00 C ATOM 257 O GLN A 530 10.501 -6.228 -11.234 1.00 0.00 O ATOM 258 CB GLN A 530 9.592 -3.285 -11.708 1.00 0.00 C ATOM 259 CG GLN A 530 8.709 -2.056 -11.827 1.00 0.00 C ATOM 260 CD GLN A 530 9.094 -1.167 -12.988 1.00 0.00 C ATOM 261 OE1 GLN A 530 10.020 -0.256 -12.752 1.00 0.00 O flip ATOM 262 NE2 GLN A 530 8.571 -1.310 -14.094 1.00 0.00 N flip ATOM 0 H GLN A 530 8.694 -2.955 -9.366 1.00 0.00 H new ATOM 0 HA GLN A 530 8.238 -4.933 -11.437 1.00 0.00 H new ATOM 0 HB2 GLN A 530 10.551 -2.991 -11.281 1.00 0.00 H new ATOM 0 HB3 GLN A 530 9.793 -3.674 -12.706 1.00 0.00 H new ATOM 0 HG2 GLN A 530 7.672 -2.370 -11.944 1.00 0.00 H new ATOM 0 HG3 GLN A 530 8.766 -1.482 -10.902 1.00 0.00 H new ATOM 0 HE21 GLN A 530 7.859 -2.027 -14.233 1.00 0.00 H new ATOM 0 HE22 GLN A 530 8.850 -0.711 -14.871 1.00 0.00 H new ATOM 271 N HIS A 531 10.562 -5.249 -9.216 1.00 0.00 N ATOM 272 CA HIS A 531 11.666 -6.071 -8.739 1.00 0.00 C ATOM 273 C HIS A 531 11.166 -7.281 -7.960 1.00 0.00 C ATOM 274 O HIS A 531 11.871 -8.283 -7.840 1.00 0.00 O ATOM 275 CB HIS A 531 12.629 -5.239 -7.887 1.00 0.00 C ATOM 276 CG HIS A 531 13.449 -4.285 -8.699 1.00 0.00 C ATOM 277 ND1 HIS A 531 14.556 -4.709 -9.395 1.00 0.00 N ATOM 278 CD2 HIS A 531 13.276 -2.959 -8.910 1.00 0.00 C ATOM 279 CE1 HIS A 531 15.025 -3.640 -10.015 1.00 0.00 C ATOM 280 NE2 HIS A 531 14.284 -2.558 -9.749 1.00 0.00 N ATOM 0 H HIS A 531 10.200 -4.587 -8.530 1.00 0.00 H new ATOM 0 HA HIS A 531 12.205 -6.440 -9.611 1.00 0.00 H new ATOM 0 HB2 HIS A 531 12.059 -4.680 -7.145 1.00 0.00 H new ATOM 0 HB3 HIS A 531 13.294 -5.908 -7.341 1.00 0.00 H new ATOM 0 HD2 HIS A 531 12.495 -2.337 -8.497 1.00 0.00 H new ATOM 0 HE1 HIS A 531 15.895 -3.640 -10.655 1.00 0.00 H new ATOM 0 HE2 HIS A 531 14.439 -1.614 -10.103 1.00 0.00 H new ATOM 288 N GLY A 532 9.960 -7.187 -7.421 1.00 0.00 N ATOM 289 CA GLY A 532 9.374 -8.327 -6.747 1.00 0.00 C ATOM 290 C GLY A 532 8.479 -7.926 -5.599 1.00 0.00 C ATOM 291 O GLY A 532 7.577 -8.672 -5.220 1.00 0.00 O ATOM 0 H GLY A 532 9.380 -6.348 -7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 532 8.798 -8.912 -7.464 1.00 0.00 H new ATOM 0 HA3 GLY A 532 10.169 -8.972 -6.374 1.00 0.00 H new ATOM 295 N TRP A 533 8.739 -6.756 -5.034 1.00 0.00 N ATOM 296 CA TRP A 533 7.915 -6.229 -3.956 1.00 0.00 C ATOM 297 C TRP A 533 6.493 -6.012 -4.440 1.00 0.00 C ATOM 298 O TRP A 533 6.261 -5.780 -5.626 1.00 0.00 O ATOM 299 CB TRP A 533 8.477 -4.906 -3.447 1.00 0.00 C ATOM 300 CG TRP A 533 9.829 -5.022 -2.823 1.00 0.00 C ATOM 301 CD1 TRP A 533 11.025 -5.157 -3.466 1.00 0.00 C ATOM 302 CD2 TRP A 533 10.124 -4.988 -1.426 1.00 0.00 C ATOM 303 NE1 TRP A 533 12.043 -5.229 -2.550 1.00 0.00 N ATOM 304 CE2 TRP A 533 11.517 -5.120 -1.290 1.00 0.00 C ATOM 305 CE3 TRP A 533 9.341 -4.861 -0.277 1.00 0.00 C ATOM 306 CZ2 TRP A 533 12.144 -5.126 -0.047 1.00 0.00 C ATOM 307 CZ3 TRP A 533 9.962 -4.865 0.953 1.00 0.00 C ATOM 308 CH2 TRP A 533 11.352 -4.996 1.062 1.00 0.00 C ATOM 0 H TRP A 533 9.516 -6.153 -5.305 1.00 0.00 H new ATOM 0 HA TRP A 533 7.918 -6.955 -3.143 1.00 0.00 H new ATOM 0 HB2 TRP A 533 8.530 -4.202 -4.277 1.00 0.00 H new ATOM 0 HB3 TRP A 533 7.786 -4.486 -2.717 1.00 0.00 H new ATOM 0 HD1 TRP A 533 11.151 -5.201 -4.538 1.00 0.00 H new ATOM 0 HE1 TRP A 533 13.032 -5.345 -2.771 1.00 0.00 H new ATOM 0 HE3 TRP A 533 8.268 -4.761 -0.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 13.216 -5.229 0.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 9.367 -4.765 1.848 1.00 0.00 H new ATOM 0 HH2 TRP A 533 11.808 -4.994 2.041 1.00 0.00 H new ATOM 319 N ARG A 534 5.543 -6.084 -3.529 1.00 0.00 N ATOM 320 CA ARG A 534 4.149 -5.861 -3.860 1.00 0.00 C ATOM 321 C ARG A 534 3.562 -4.889 -2.854 1.00 0.00 C ATOM 322 O ARG A 534 4.093 -4.756 -1.749 1.00 0.00 O ATOM 323 CB ARG A 534 3.372 -7.181 -3.824 1.00 0.00 C ATOM 324 CG ARG A 534 3.871 -8.222 -4.816 1.00 0.00 C ATOM 325 CD ARG A 534 3.729 -7.748 -6.253 1.00 0.00 C ATOM 326 NE ARG A 534 4.304 -8.700 -7.203 1.00 0.00 N ATOM 327 CZ ARG A 534 4.384 -8.485 -8.516 1.00 0.00 C ATOM 328 NH1 ARG A 534 3.892 -7.369 -9.043 1.00 0.00 N ATOM 329 NH2 ARG A 534 4.950 -9.392 -9.303 1.00 0.00 N ATOM 0 H ARG A 534 5.713 -6.297 -2.546 1.00 0.00 H new ATOM 0 HA ARG A 534 4.075 -5.449 -4.866 1.00 0.00 H new ATOM 0 HB2 ARG A 534 3.429 -7.597 -2.818 1.00 0.00 H new ATOM 0 HB3 ARG A 534 2.320 -6.977 -4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 534 4.917 -8.448 -4.610 1.00 0.00 H new ATOM 0 HG3 ARG A 534 3.312 -9.148 -4.682 1.00 0.00 H new ATOM 0 HD2 ARG A 534 2.674 -7.599 -6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 534 4.220 -6.781 -6.366 1.00 0.00 H new ATOM 0 HE ARG A 534 4.666 -9.581 -6.839 1.00 0.00 H new ATOM 0 HH11 ARG A 534 3.451 -6.673 -8.442 1.00 0.00 H new ATOM 0 HH12 ARG A 534 3.955 -7.209 -10.048 1.00 0.00 H new ATOM 0 HH21 ARG A 534 5.323 -10.253 -8.903 1.00 0.00 H new ATOM 0 HH22 ARG A 534 5.012 -9.228 -10.308 1.00 0.00 H new ATOM 343 N ARG A 535 2.475 -4.221 -3.212 1.00 0.00 N ATOM 344 CA ARG A 535 1.852 -3.320 -2.292 1.00 0.00 C ATOM 345 C ARG A 535 0.342 -3.367 -2.443 1.00 0.00 C ATOM 346 O ARG A 535 -0.204 -3.053 -3.506 1.00 0.00 O ATOM 347 CB ARG A 535 2.366 -1.920 -2.569 1.00 0.00 C ATOM 348 CG ARG A 535 1.768 -0.879 -1.670 1.00 0.00 C ATOM 349 CD ARG A 535 1.088 0.200 -2.473 1.00 0.00 C ATOM 350 NE ARG A 535 -0.153 -0.243 -3.095 1.00 0.00 N ATOM 351 CZ ARG A 535 -1.102 0.600 -3.492 1.00 0.00 C ATOM 352 NH1 ARG A 535 -0.936 1.910 -3.326 1.00 0.00 N ATOM 353 NH2 ARG A 535 -2.214 0.143 -4.043 1.00 0.00 N ATOM 0 H ARG A 535 2.022 -4.293 -4.123 1.00 0.00 H new ATOM 0 HA ARG A 535 2.095 -3.610 -1.270 1.00 0.00 H new ATOM 0 HB2 ARG A 535 3.450 -1.909 -2.455 1.00 0.00 H new ATOM 0 HB3 ARG A 535 2.152 -1.661 -3.606 1.00 0.00 H new ATOM 0 HG2 ARG A 535 1.048 -1.345 -0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 535 2.548 -0.438 -1.048 1.00 0.00 H new ATOM 0 HD2 ARG A 535 0.878 1.050 -1.823 1.00 0.00 H new ATOM 0 HD3 ARG A 535 1.770 0.552 -3.247 1.00 0.00 H new ATOM 0 HE ARG A 535 -0.300 -1.243 -3.232 1.00 0.00 H new ATOM 0 HH11 ARG A 535 -0.082 2.265 -2.895 1.00 0.00 H new ATOM 0 HH12 ARG A 535 -1.662 2.559 -3.630 1.00 0.00 H new ATOM 0 HH21 ARG A 535 -2.347 -0.861 -4.165 1.00 0.00 H new ATOM 0 HH22 ARG A 535 -2.938 0.794 -4.346 1.00 0.00 H new ATOM 367 N GLU A 536 -0.326 -3.723 -1.369 1.00 0.00 N ATOM 368 CA GLU A 536 -1.767 -3.845 -1.367 1.00 0.00 C ATOM 369 C GLU A 536 -2.350 -2.798 -0.441 1.00 0.00 C ATOM 370 O GLU A 536 -1.815 -2.563 0.632 1.00 0.00 O ATOM 371 CB GLU A 536 -2.173 -5.242 -0.901 1.00 0.00 C ATOM 372 CG GLU A 536 -1.735 -6.340 -1.851 1.00 0.00 C ATOM 373 CD GLU A 536 -2.190 -7.712 -1.406 1.00 0.00 C ATOM 374 OE1 GLU A 536 -3.383 -8.031 -1.578 1.00 0.00 O ATOM 375 OE2 GLU A 536 -1.359 -8.480 -0.875 1.00 0.00 O ATOM 0 H GLU A 536 0.113 -3.936 -0.473 1.00 0.00 H new ATOM 0 HA GLU A 536 -2.148 -3.692 -2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 536 -1.743 -5.429 0.083 1.00 0.00 H new ATOM 0 HB3 GLU A 536 -3.256 -5.279 -0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 536 -2.132 -6.135 -2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 536 -0.648 -6.331 -1.934 1.00 0.00 H new ATOM 382 N VAL A 537 -3.425 -2.153 -0.844 1.00 0.00 N ATOM 383 CA VAL A 537 -4.044 -1.157 0.010 1.00 0.00 C ATOM 384 C VAL A 537 -5.438 -1.602 0.387 1.00 0.00 C ATOM 385 O VAL A 537 -6.286 -1.840 -0.472 1.00 0.00 O ATOM 386 CB VAL A 537 -4.094 0.243 -0.648 1.00 0.00 C ATOM 387 CG1 VAL A 537 -4.904 1.219 0.191 1.00 0.00 C ATOM 388 CG2 VAL A 537 -2.693 0.787 -0.838 1.00 0.00 C ATOM 0 H VAL A 537 -3.884 -2.296 -1.744 1.00 0.00 H new ATOM 0 HA VAL A 537 -3.426 -1.068 0.904 1.00 0.00 H new ATOM 0 HB VAL A 537 -4.578 0.133 -1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 537 -4.920 2.193 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 537 -5.924 0.849 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 537 -4.449 1.316 1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 537 -2.745 1.772 -1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 537 -2.199 0.867 0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 537 -2.125 0.113 -1.480 1.00 0.00 H new ATOM 398 N ARG A 538 -5.652 -1.730 1.674 1.00 0.00 N ATOM 399 CA ARG A 538 -6.924 -2.188 2.188 1.00 0.00 C ATOM 400 C ARG A 538 -7.711 -1.012 2.738 1.00 0.00 C ATOM 401 O ARG A 538 -7.255 -0.327 3.656 1.00 0.00 O ATOM 402 CB ARG A 538 -6.708 -3.250 3.268 1.00 0.00 C ATOM 403 CG ARG A 538 -5.991 -4.491 2.758 1.00 0.00 C ATOM 404 CD ARG A 538 -5.817 -5.528 3.855 1.00 0.00 C ATOM 405 NE ARG A 538 -5.130 -6.729 3.378 1.00 0.00 N ATOM 406 CZ ARG A 538 -4.831 -7.775 4.153 1.00 0.00 C ATOM 407 NH1 ARG A 538 -5.176 -7.778 5.435 1.00 0.00 N ATOM 408 NH2 ARG A 538 -4.192 -8.822 3.645 1.00 0.00 N ATOM 0 H ARG A 538 -4.957 -1.522 2.391 1.00 0.00 H new ATOM 0 HA ARG A 538 -7.495 -2.640 1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 538 -6.131 -2.816 4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 538 -7.674 -3.541 3.680 1.00 0.00 H new ATOM 0 HG2 ARG A 538 -6.556 -4.925 1.933 1.00 0.00 H new ATOM 0 HG3 ARG A 538 -5.014 -4.211 2.363 1.00 0.00 H new ATOM 0 HD2 ARG A 538 -5.252 -5.092 4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 538 -6.795 -5.804 4.250 1.00 0.00 H new ATOM 0 HE ARG A 538 -4.863 -6.770 2.394 1.00 0.00 H new ATOM 0 HH11 ARG A 538 -5.671 -6.979 5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 538 -4.946 -8.579 6.023 1.00 0.00 H new ATOM 0 HH21 ARG A 538 -3.928 -8.829 2.660 1.00 0.00 H new ATOM 0 HH22 ARG A 538 -3.965 -9.619 4.240 1.00 0.00 H new ATOM 422 N ILE A 539 -8.880 -0.765 2.168 1.00 0.00 N ATOM 423 CA ILE A 539 -9.716 0.328 2.620 1.00 0.00 C ATOM 424 C ILE A 539 -10.965 -0.208 3.308 1.00 0.00 C ATOM 425 O ILE A 539 -11.738 -0.974 2.727 1.00 0.00 O ATOM 426 CB ILE A 539 -10.128 1.219 1.442 1.00 0.00 C ATOM 427 CG1 ILE A 539 -8.886 1.668 0.669 1.00 0.00 C ATOM 428 CG2 ILE A 539 -10.920 2.420 1.936 1.00 0.00 C ATOM 429 CD1 ILE A 539 -9.188 2.541 -0.526 1.00 0.00 C ATOM 0 H ILE A 539 -9.267 -1.306 1.395 1.00 0.00 H new ATOM 0 HA ILE A 539 -9.139 0.921 3.329 1.00 0.00 H new ATOM 0 HB ILE A 539 -10.767 0.646 0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 539 -8.226 2.211 1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 539 -8.341 0.786 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 539 -11.205 3.042 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 539 -11.817 2.077 2.452 1.00 0.00 H new ATOM 0 HG23 ILE A 539 -10.307 3.003 2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 539 -8.256 2.817 -1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 539 -9.821 1.995 -1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 539 -9.705 3.442 -0.197 1.00 0.00 H new ATOM 441 N LYS A 540 -11.150 0.205 4.546 1.00 0.00 N ATOM 442 CA LYS A 540 -12.279 -0.240 5.342 1.00 0.00 C ATOM 443 C LYS A 540 -13.051 0.932 5.922 1.00 0.00 C ATOM 444 O LYS A 540 -12.474 1.965 6.273 1.00 0.00 O ATOM 445 CB LYS A 540 -11.800 -1.170 6.461 1.00 0.00 C ATOM 446 CG LYS A 540 -10.712 -0.567 7.340 1.00 0.00 C ATOM 447 CD LYS A 540 -10.156 -1.585 8.324 1.00 0.00 C ATOM 448 CE LYS A 540 -11.236 -2.129 9.246 1.00 0.00 C ATOM 449 NZ LYS A 540 -10.688 -3.110 10.218 1.00 0.00 N ATOM 0 H LYS A 540 -10.527 0.854 5.027 1.00 0.00 H new ATOM 0 HA LYS A 540 -12.956 -0.788 4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 540 -12.651 -1.439 7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 540 -11.426 -2.093 6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 540 -9.905 -0.189 6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 540 -11.116 0.285 7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 540 -9.698 -2.408 7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 540 -9.369 -1.122 8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 540 -11.703 -1.305 9.785 1.00 0.00 H new ATOM 0 HE3 LYS A 540 -12.017 -2.604 8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 540 -11.454 -3.458 10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 540 -10.265 -3.909 9.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 540 -9.961 -2.650 10.803 1.00 0.00 H new ATOM 463 N LYS A 541 -14.361 0.769 6.007 1.00 0.00 N ATOM 464 CA LYS A 541 -15.192 1.788 6.613 1.00 0.00 C ATOM 465 C LYS A 541 -15.053 1.710 8.125 1.00 0.00 C ATOM 466 O LYS A 541 -15.229 0.644 8.720 1.00 0.00 O ATOM 467 CB LYS A 541 -16.659 1.601 6.213 1.00 0.00 C ATOM 468 CG LYS A 541 -17.623 2.490 6.987 1.00 0.00 C ATOM 469 CD LYS A 541 -17.400 3.962 6.687 1.00 0.00 C ATOM 470 CE LYS A 541 -18.252 4.851 7.578 1.00 0.00 C ATOM 471 NZ LYS A 541 -19.704 4.564 7.440 1.00 0.00 N ATOM 0 H LYS A 541 -14.865 -0.050 5.667 1.00 0.00 H new ATOM 0 HA LYS A 541 -14.866 2.767 6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -16.765 1.807 5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 541 -16.938 0.558 6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -18.648 2.219 6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -17.500 2.315 8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -16.347 4.207 6.828 1.00 0.00 H new ATOM 0 HD3 LYS A 541 -17.636 4.161 5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -17.954 4.712 8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -18.065 5.896 7.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 -20.251 5.290 7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 -19.965 4.572 6.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 -19.913 3.629 7.844 1.00 0.00 H new ATOM 485 N GLY A 542 -14.727 2.827 8.738 1.00 0.00 N ATOM 486 CA GLY A 542 -14.587 2.860 10.172 1.00 0.00 C ATOM 487 C GLY A 542 -15.839 3.380 10.831 1.00 0.00 C ATOM 488 O GLY A 542 -16.700 3.953 10.163 1.00 0.00 O ATOM 0 H GLY A 542 -14.556 3.716 8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 542 -14.368 1.858 10.542 1.00 0.00 H new ATOM 0 HA3 GLY A 542 -13.741 3.492 10.443 1.00 0.00 H new ATOM 492 N SER A 543 -15.951 3.187 12.133 1.00 0.00 N ATOM 493 CA SER A 543 -17.116 3.653 12.866 1.00 0.00 C ATOM 494 C SER A 543 -17.096 5.174 12.980 1.00 0.00 C ATOM 495 O SER A 543 -18.109 5.802 13.296 1.00 0.00 O ATOM 496 CB SER A 543 -17.155 3.021 14.258 1.00 0.00 C ATOM 497 OG SER A 543 -18.403 3.247 14.893 1.00 0.00 O ATOM 0 H SER A 543 -15.252 2.712 12.704 1.00 0.00 H new ATOM 0 HA SER A 543 -18.011 3.354 12.321 1.00 0.00 H new ATOM 0 HB2 SER A 543 -16.974 1.949 14.178 1.00 0.00 H new ATOM 0 HB3 SER A 543 -16.353 3.435 14.870 1.00 0.00 H new ATOM 0 HG SER A 543 -18.738 4.135 14.648 1.00 0.00 H new ATOM 503 N HIS A 544 -15.935 5.763 12.727 1.00 0.00 N ATOM 504 CA HIS A 544 -15.782 7.203 12.823 1.00 0.00 C ATOM 505 C HIS A 544 -15.612 7.827 11.443 1.00 0.00 C ATOM 506 O HIS A 544 -16.258 8.827 11.123 1.00 0.00 O ATOM 507 CB HIS A 544 -14.592 7.557 13.722 1.00 0.00 C ATOM 508 CG HIS A 544 -14.684 6.957 15.093 1.00 0.00 C ATOM 509 ND1 HIS A 544 -13.600 6.367 15.698 1.00 0.00 N ATOM 510 CD2 HIS A 544 -15.750 6.879 15.924 1.00 0.00 C ATOM 511 CE1 HIS A 544 -14.030 5.946 16.876 1.00 0.00 C ATOM 512 NE2 HIS A 544 -15.325 6.234 17.055 1.00 0.00 N ATOM 0 H HIS A 544 -15.088 5.264 12.454 1.00 0.00 H new ATOM 0 HA HIS A 544 -16.689 7.611 13.269 1.00 0.00 H new ATOM 0 HB2 HIS A 544 -13.672 7.218 13.246 1.00 0.00 H new ATOM 0 HB3 HIS A 544 -14.523 8.641 13.811 1.00 0.00 H new ATOM 0 HD2 HIS A 544 -16.745 7.254 15.732 1.00 0.00 H new ATOM 0 HE1 HIS A 544 -13.414 5.435 17.601 1.00 0.00 H new ATOM 0 HE2 HIS A 544 -15.888 6.015 17.877 1.00 0.00 H new ATOM 520 N ARG A 545 -14.757 7.232 10.619 1.00 0.00 N ATOM 521 CA ARG A 545 -14.455 7.796 9.311 1.00 0.00 C ATOM 522 C ARG A 545 -14.035 6.721 8.312 1.00 0.00 C ATOM 523 O ARG A 545 -14.013 5.530 8.620 1.00 0.00 O ATOM 524 CB ARG A 545 -13.333 8.827 9.433 1.00 0.00 C ATOM 525 CG ARG A 545 -12.006 8.215 9.842 1.00 0.00 C ATOM 526 CD ARG A 545 -10.872 9.216 9.748 1.00 0.00 C ATOM 527 NE ARG A 545 -9.578 8.582 9.989 1.00 0.00 N ATOM 528 CZ ARG A 545 -8.421 9.059 9.540 1.00 0.00 C ATOM 529 NH1 ARG A 545 -8.389 10.199 8.859 1.00 0.00 N ATOM 530 NH2 ARG A 545 -7.292 8.400 9.777 1.00 0.00 N ATOM 0 H ARG A 545 -14.264 6.365 10.832 1.00 0.00 H new ATOM 0 HA ARG A 545 -15.365 8.270 8.944 1.00 0.00 H new ATOM 0 HB2 ARG A 545 -13.212 9.338 8.478 1.00 0.00 H new ATOM 0 HB3 ARG A 545 -13.619 9.582 10.165 1.00 0.00 H new ATOM 0 HG2 ARG A 545 -12.077 7.841 10.864 1.00 0.00 H new ATOM 0 HG3 ARG A 545 -11.789 7.358 9.204 1.00 0.00 H new ATOM 0 HD2 ARG A 545 -10.874 9.678 8.761 1.00 0.00 H new ATOM 0 HD3 ARG A 545 -11.028 10.014 10.474 1.00 0.00 H new ATOM 0 HE ARG A 545 -9.561 7.721 10.535 1.00 0.00 H new ATOM 0 HH11 ARG A 545 -9.253 10.710 8.680 1.00 0.00 H new ATOM 0 HH12 ARG A 545 -7.500 10.563 8.516 1.00 0.00 H new ATOM 0 HH21 ARG A 545 -7.312 7.527 10.304 1.00 0.00 H new ATOM 0 HH22 ARG A 545 -6.405 8.767 9.432 1.00 0.00 H new ATOM 544 N TRP A 546 -13.707 7.177 7.115 1.00 0.00 N ATOM 545 CA TRP A 546 -13.166 6.293 6.095 1.00 0.00 C ATOM 546 C TRP A 546 -11.656 6.237 6.211 1.00 0.00 C ATOM 547 O TRP A 546 -10.982 7.268 6.190 1.00 0.00 O ATOM 548 CB TRP A 546 -13.575 6.734 4.692 1.00 0.00 C ATOM 549 CG TRP A 546 -14.936 6.248 4.316 1.00 0.00 C ATOM 550 CD1 TRP A 546 -16.124 6.881 4.530 1.00 0.00 C ATOM 551 CD2 TRP A 546 -15.248 5.005 3.676 1.00 0.00 C ATOM 552 NE1 TRP A 546 -17.158 6.111 4.055 1.00 0.00 N ATOM 553 CE2 TRP A 546 -16.645 4.956 3.523 1.00 0.00 C ATOM 554 CE3 TRP A 546 -14.480 3.932 3.213 1.00 0.00 C ATOM 555 CZ2 TRP A 546 -17.291 3.875 2.928 1.00 0.00 C ATOM 556 CZ3 TRP A 546 -15.122 2.859 2.623 1.00 0.00 C ATOM 557 CH2 TRP A 546 -16.515 2.838 2.485 1.00 0.00 C ATOM 0 H TRP A 546 -13.805 8.150 6.826 1.00 0.00 H new ATOM 0 HA TRP A 546 -13.579 5.297 6.258 1.00 0.00 H new ATOM 0 HB2 TRP A 546 -13.552 7.822 4.635 1.00 0.00 H new ATOM 0 HB3 TRP A 546 -12.847 6.362 3.971 1.00 0.00 H new ATOM 0 HD1 TRP A 546 -16.236 7.845 5.003 1.00 0.00 H new ATOM 0 HE1 TRP A 546 -18.147 6.358 4.092 1.00 0.00 H new ATOM 0 HE3 TRP A 546 -13.405 3.941 3.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 546 -18.365 3.856 2.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 546 -14.540 2.024 2.263 1.00 0.00 H new ATOM 0 HH2 TRP A 546 -16.987 1.986 2.019 1.00 0.00 H new ATOM 568 N GLN A 547 -11.129 5.032 6.350 1.00 0.00 N ATOM 569 CA GLN A 547 -9.695 4.860 6.470 1.00 0.00 C ATOM 570 C GLN A 547 -9.170 3.795 5.521 1.00 0.00 C ATOM 571 O GLN A 547 -9.919 2.976 4.989 1.00 0.00 O ATOM 572 CB GLN A 547 -9.303 4.514 7.907 1.00 0.00 C ATOM 573 CG GLN A 547 -9.674 3.105 8.327 1.00 0.00 C ATOM 574 CD GLN A 547 -9.062 2.725 9.657 1.00 0.00 C ATOM 575 OE1 GLN A 547 -8.869 3.568 10.535 1.00 0.00 O ATOM 576 NE2 GLN A 547 -8.716 1.460 9.798 1.00 0.00 N ATOM 0 H GLN A 547 -11.669 4.167 6.382 1.00 0.00 H new ATOM 0 HA GLN A 547 -9.239 5.811 6.196 1.00 0.00 H new ATOM 0 HB2 GLN A 547 -8.227 4.644 8.020 1.00 0.00 H new ATOM 0 HB3 GLN A 547 -9.782 5.222 8.584 1.00 0.00 H new ATOM 0 HG2 GLN A 547 -10.759 3.021 8.391 1.00 0.00 H new ATOM 0 HG3 GLN A 547 -9.344 2.401 7.563 1.00 0.00 H new ATOM 0 HE21 GLN A 547 -8.895 0.795 9.045 1.00 0.00 H new ATOM 0 HE22 GLN A 547 -8.270 1.146 10.660 1.00 0.00 H new ATOM 585 N GLY A 548 -7.866 3.818 5.344 1.00 0.00 N ATOM 586 CA GLY A 548 -7.199 2.898 4.461 1.00 0.00 C ATOM 587 C GLY A 548 -5.788 2.652 4.921 1.00 0.00 C ATOM 588 O GLY A 548 -5.189 3.513 5.571 1.00 0.00 O ATOM 0 H GLY A 548 -7.243 4.477 5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 548 -7.746 1.956 4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 548 -7.192 3.298 3.447 1.00 0.00 H new ATOM 592 N GLU A 549 -5.256 1.490 4.613 1.00 0.00 N ATOM 593 CA GLU A 549 -3.903 1.161 5.017 1.00 0.00 C ATOM 594 C GLU A 549 -3.163 0.465 3.892 1.00 0.00 C ATOM 595 O GLU A 549 -3.752 -0.244 3.076 1.00 0.00 O ATOM 596 CB GLU A 549 -3.901 0.295 6.274 1.00 0.00 C ATOM 597 CG GLU A 549 -4.416 -1.108 6.043 1.00 0.00 C ATOM 598 CD GLU A 549 -4.696 -1.839 7.336 1.00 0.00 C ATOM 599 OE1 GLU A 549 -3.741 -2.366 7.943 1.00 0.00 O ATOM 600 OE2 GLU A 549 -5.867 -1.880 7.761 1.00 0.00 O ATOM 0 H GLU A 549 -5.735 0.759 4.087 1.00 0.00 H new ATOM 0 HA GLU A 549 -3.386 2.093 5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 549 -2.885 0.240 6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 549 -4.512 0.776 7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 549 -5.329 -1.064 5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 549 -3.684 -1.670 5.462 1.00 0.00 H new ATOM 607 N THR A 550 -1.873 0.687 3.867 1.00 0.00 N ATOM 608 CA THR A 550 -1.034 0.163 2.812 1.00 0.00 C ATOM 609 C THR A 550 -0.163 -0.977 3.322 1.00 0.00 C ATOM 610 O THR A 550 0.509 -0.856 4.344 1.00 0.00 O ATOM 611 CB THR A 550 -0.153 1.262 2.216 1.00 0.00 C ATOM 612 OG1 THR A 550 -0.972 2.285 1.634 1.00 0.00 O ATOM 613 CG2 THR A 550 0.782 0.687 1.172 1.00 0.00 C ATOM 0 H THR A 550 -1.375 1.232 4.571 1.00 0.00 H new ATOM 0 HA THR A 550 -1.691 -0.221 2.032 1.00 0.00 H new ATOM 0 HB THR A 550 0.447 1.698 3.015 1.00 0.00 H new ATOM 0 HG1 THR A 550 -0.943 3.087 2.197 1.00 0.00 H new ATOM 0 HG21 THR A 550 1.401 1.484 0.759 1.00 0.00 H new ATOM 0 HG22 THR A 550 1.421 -0.067 1.632 1.00 0.00 H new ATOM 0 HG23 THR A 550 0.198 0.230 0.373 1.00 0.00 H new ATOM 621 N TRP A 551 -0.249 -2.100 2.643 1.00 0.00 N ATOM 622 CA TRP A 551 0.493 -3.284 3.016 1.00 0.00 C ATOM 623 C TRP A 551 1.597 -3.573 1.995 1.00 0.00 C ATOM 624 O TRP A 551 1.465 -3.270 0.808 1.00 0.00 O ATOM 625 CB TRP A 551 -0.444 -4.482 3.118 1.00 0.00 C ATOM 626 CG TRP A 551 -1.193 -4.555 4.413 1.00 0.00 C ATOM 627 CD1 TRP A 551 -1.815 -3.535 5.069 1.00 0.00 C ATOM 628 CD2 TRP A 551 -1.404 -5.726 5.201 1.00 0.00 C ATOM 629 NE1 TRP A 551 -2.387 -4.003 6.227 1.00 0.00 N ATOM 630 CE2 TRP A 551 -2.154 -5.346 6.328 1.00 0.00 C ATOM 631 CE3 TRP A 551 -1.027 -7.058 5.062 1.00 0.00 C ATOM 632 CZ2 TRP A 551 -2.536 -6.254 7.310 1.00 0.00 C ATOM 633 CZ3 TRP A 551 -1.407 -7.962 6.037 1.00 0.00 C ATOM 634 CH2 TRP A 551 -2.156 -7.557 7.148 1.00 0.00 C ATOM 0 H TRP A 551 -0.835 -2.218 1.817 1.00 0.00 H new ATOM 0 HA TRP A 551 0.954 -3.107 3.988 1.00 0.00 H new ATOM 0 HB2 TRP A 551 -1.160 -4.443 2.297 1.00 0.00 H new ATOM 0 HB3 TRP A 551 0.136 -5.397 2.992 1.00 0.00 H new ATOM 0 HD1 TRP A 551 -1.853 -2.511 4.729 1.00 0.00 H new ATOM 0 HE1 TRP A 551 -2.903 -3.439 6.903 1.00 0.00 H new ATOM 0 HE3 TRP A 551 -0.448 -7.380 4.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 -3.112 -5.941 8.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 -1.121 -8.999 5.940 1.00 0.00 H new ATOM 0 HH2 TRP A 551 -2.439 -8.288 7.891 1.00 0.00 H new ATOM 645 N TYR A 552 2.673 -4.161 2.487 1.00 0.00 N ATOM 646 CA TYR A 552 3.805 -4.538 1.640 1.00 0.00 C ATOM 647 C TYR A 552 4.250 -5.959 1.932 1.00 0.00 C ATOM 648 O TYR A 552 4.012 -6.486 3.017 1.00 0.00 O ATOM 649 CB TYR A 552 4.993 -3.587 1.848 1.00 0.00 C ATOM 650 CG TYR A 552 4.987 -2.350 0.971 1.00 0.00 C ATOM 651 CD1 TYR A 552 5.584 -2.365 -0.284 1.00 0.00 C ATOM 652 CD2 TYR A 552 4.412 -1.163 1.405 1.00 0.00 C ATOM 653 CE1 TYR A 552 5.602 -1.235 -1.082 1.00 0.00 C ATOM 654 CE2 TYR A 552 4.429 -0.029 0.615 1.00 0.00 C ATOM 655 CZ TYR A 552 5.023 -0.070 -0.627 1.00 0.00 C ATOM 656 OH TYR A 552 5.047 1.062 -1.412 1.00 0.00 O ATOM 0 H TYR A 552 2.793 -4.391 3.473 1.00 0.00 H new ATOM 0 HA TYR A 552 3.470 -4.470 0.605 1.00 0.00 H new ATOM 0 HB2 TYR A 552 5.009 -3.273 2.892 1.00 0.00 H new ATOM 0 HB3 TYR A 552 5.916 -4.138 1.666 1.00 0.00 H new ATOM 0 HD1 TYR A 552 6.042 -3.275 -0.643 1.00 0.00 H new ATOM 0 HD2 TYR A 552 3.943 -1.125 2.377 1.00 0.00 H new ATOM 0 HE1 TYR A 552 6.067 -1.266 -2.056 1.00 0.00 H new ATOM 0 HE2 TYR A 552 3.978 0.886 0.970 1.00 0.00 H new ATOM 0 HH TYR A 552 4.144 1.438 -1.472 1.00 0.00 H new ATOM 666 N TYR A 553 4.890 -6.584 0.960 1.00 0.00 N ATOM 667 CA TYR A 553 5.427 -7.920 1.135 1.00 0.00 C ATOM 668 C TYR A 553 6.836 -8.005 0.577 1.00 0.00 C ATOM 669 O TYR A 553 7.103 -7.527 -0.529 1.00 0.00 O ATOM 670 CB TYR A 553 4.536 -8.948 0.429 1.00 0.00 C ATOM 671 CG TYR A 553 3.164 -9.102 1.044 1.00 0.00 C ATOM 672 CD1 TYR A 553 2.141 -8.202 0.764 1.00 0.00 C ATOM 673 CD2 TYR A 553 2.897 -10.148 1.911 1.00 0.00 C ATOM 674 CE1 TYR A 553 0.891 -8.344 1.336 1.00 0.00 C ATOM 675 CE2 TYR A 553 1.654 -10.299 2.484 1.00 0.00 C ATOM 676 CZ TYR A 553 0.653 -9.396 2.197 1.00 0.00 C ATOM 677 OH TYR A 553 -0.587 -9.549 2.775 1.00 0.00 O ATOM 0 H TYR A 553 5.051 -6.184 0.036 1.00 0.00 H new ATOM 0 HA TYR A 553 5.453 -8.139 2.203 1.00 0.00 H new ATOM 0 HB2 TYR A 553 4.424 -8.659 -0.616 1.00 0.00 H new ATOM 0 HB3 TYR A 553 5.038 -9.916 0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 553 2.326 -7.379 0.089 1.00 0.00 H new ATOM 0 HD2 TYR A 553 3.677 -10.858 2.142 1.00 0.00 H new ATOM 0 HE1 TYR A 553 0.106 -7.637 1.111 1.00 0.00 H new ATOM 0 HE2 TYR A 553 1.464 -11.123 3.156 1.00 0.00 H new ATOM 0 HH TYR A 553 -0.583 -10.340 3.353 1.00 0.00 H new ATOM 687 N GLY A 554 7.735 -8.592 1.353 1.00 0.00 N ATOM 688 CA GLY A 554 9.070 -8.849 0.866 1.00 0.00 C ATOM 689 C GLY A 554 9.067 -9.951 -0.171 1.00 0.00 C ATOM 690 O GLY A 554 8.496 -11.016 0.063 1.00 0.00 O ATOM 0 H GLY A 554 7.562 -8.894 2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 554 9.484 -7.939 0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 554 9.716 -9.129 1.698 1.00 0.00 H new ATOM 694 N PRO A 555 9.703 -9.734 -1.330 1.00 0.00 N ATOM 695 CA PRO A 555 9.680 -10.697 -2.438 1.00 0.00 C ATOM 696 C PRO A 555 10.461 -11.962 -2.114 1.00 0.00 C ATOM 697 O PRO A 555 10.322 -12.989 -2.779 1.00 0.00 O ATOM 698 CB PRO A 555 10.356 -9.939 -3.582 1.00 0.00 C ATOM 699 CG PRO A 555 11.229 -8.937 -2.910 1.00 0.00 C ATOM 700 CD PRO A 555 10.507 -8.541 -1.652 1.00 0.00 C ATOM 0 HA PRO A 555 8.668 -11.031 -2.667 1.00 0.00 H new ATOM 0 HB2 PRO A 555 10.938 -10.611 -4.213 1.00 0.00 H new ATOM 0 HB3 PRO A 555 9.621 -9.455 -4.225 1.00 0.00 H new ATOM 0 HG2 PRO A 555 12.207 -9.361 -2.682 1.00 0.00 H new ATOM 0 HG3 PRO A 555 11.398 -8.073 -3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 555 11.203 -8.297 -0.849 1.00 0.00 H new ATOM 0 HD3 PRO A 555 9.879 -7.664 -1.808 1.00 0.00 H new ATOM 708 N CYS A 556 11.274 -11.875 -1.078 1.00 0.00 N ATOM 709 CA CYS A 556 12.162 -12.957 -0.703 1.00 0.00 C ATOM 710 C CYS A 556 12.019 -13.286 0.777 1.00 0.00 C ATOM 711 O CYS A 556 12.762 -14.113 1.310 1.00 0.00 O ATOM 712 CB CYS A 556 13.607 -12.565 -1.016 1.00 0.00 C ATOM 713 SG CYS A 556 13.876 -12.058 -2.731 1.00 0.00 S ATOM 0 H CYS A 556 11.337 -11.055 -0.475 1.00 0.00 H new ATOM 0 HA CYS A 556 11.894 -13.844 -1.276 1.00 0.00 H new ATOM 0 HB2 CYS A 556 13.903 -11.749 -0.356 1.00 0.00 H new ATOM 0 HB3 CYS A 556 14.259 -13.409 -0.791 1.00 0.00 H new ATOM 0 HG CYS A 556 15.126 -11.743 -2.900 1.00 0.00 H new ATOM 719 N GLY A 557 11.063 -12.646 1.445 1.00 0.00 N ATOM 720 CA GLY A 557 11.014 -12.729 2.887 1.00 0.00 C ATOM 721 C GLY A 557 9.632 -12.476 3.461 1.00 0.00 C ATOM 722 O GLY A 557 8.618 -12.844 2.864 1.00 0.00 O ATOM 0 H GLY A 557 10.331 -12.079 1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 557 11.353 -13.717 3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 557 11.712 -12.006 3.309 1.00 0.00 H new ATOM 726 N LYS A 558 9.617 -11.833 4.621 1.00 0.00 N ATOM 727 CA LYS A 558 8.388 -11.631 5.387 1.00 0.00 C ATOM 728 C LYS A 558 7.551 -10.467 4.853 1.00 0.00 C ATOM 729 O LYS A 558 7.889 -9.842 3.847 1.00 0.00 O ATOM 730 CB LYS A 558 8.694 -11.410 6.874 1.00 0.00 C ATOM 731 CG LYS A 558 9.350 -10.074 7.205 1.00 0.00 C ATOM 732 CD LYS A 558 10.857 -10.118 7.026 1.00 0.00 C ATOM 733 CE LYS A 558 11.530 -8.970 7.758 1.00 0.00 C ATOM 734 NZ LYS A 558 11.363 -9.084 9.231 1.00 0.00 N ATOM 0 H LYS A 558 10.450 -11.438 5.058 1.00 0.00 H new ATOM 0 HA LYS A 558 7.802 -12.543 5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 558 7.764 -11.490 7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 558 9.346 -12.213 7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 558 8.932 -9.297 6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 558 9.115 -9.800 8.234 1.00 0.00 H new ATOM 0 HD2 LYS A 558 11.243 -11.067 7.399 1.00 0.00 H new ATOM 0 HD3 LYS A 558 11.102 -10.070 5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 558 12.592 -8.954 7.512 1.00 0.00 H new ATOM 0 HE3 LYS A 558 11.110 -8.024 7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 558 12.138 -8.581 9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 558 10.453 -8.664 9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 558 11.381 -10.087 9.506 1.00 0.00 H new ATOM 748 N ARG A 559 6.457 -10.188 5.552 1.00 0.00 N ATOM 749 CA ARG A 559 5.545 -9.121 5.183 1.00 0.00 C ATOM 750 C ARG A 559 5.699 -7.940 6.128 1.00 0.00 C ATOM 751 O ARG A 559 5.738 -8.116 7.347 1.00 0.00 O ATOM 752 CB ARG A 559 4.111 -9.640 5.249 1.00 0.00 C ATOM 753 CG ARG A 559 3.055 -8.551 5.224 1.00 0.00 C ATOM 754 CD ARG A 559 1.752 -9.055 5.809 1.00 0.00 C ATOM 755 NE ARG A 559 1.835 -9.252 7.258 1.00 0.00 N ATOM 756 CZ ARG A 559 0.977 -9.992 7.962 1.00 0.00 C ATOM 757 NH1 ARG A 559 -0.010 -10.635 7.352 1.00 0.00 N ATOM 758 NH2 ARG A 559 1.113 -10.099 9.277 1.00 0.00 N ATOM 0 H ARG A 559 6.180 -10.698 6.391 1.00 0.00 H new ATOM 0 HA ARG A 559 5.776 -8.792 4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 559 3.941 -10.315 4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 559 3.990 -10.227 6.159 1.00 0.00 H new ATOM 0 HG2 ARG A 559 3.403 -7.687 5.790 1.00 0.00 H new ATOM 0 HG3 ARG A 559 2.894 -8.217 4.199 1.00 0.00 H new ATOM 0 HD2 ARG A 559 0.957 -8.344 5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 559 1.481 -9.996 5.331 1.00 0.00 H new ATOM 0 HE ARG A 559 2.596 -8.795 7.760 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -0.116 -10.565 6.340 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -0.663 -11.200 7.895 1.00 0.00 H new ATOM 0 HH21 ARG A 559 1.875 -9.615 9.752 1.00 0.00 H new ATOM 0 HH22 ARG A 559 0.456 -10.665 9.813 1.00 0.00 H new ATOM 772 N MET A 560 5.790 -6.743 5.573 1.00 0.00 N ATOM 773 CA MET A 560 5.852 -5.548 6.387 1.00 0.00 C ATOM 774 C MET A 560 4.740 -4.591 5.985 1.00 0.00 C ATOM 775 O MET A 560 4.405 -4.483 4.813 1.00 0.00 O ATOM 776 CB MET A 560 7.217 -4.864 6.241 1.00 0.00 C ATOM 777 CG MET A 560 8.401 -5.731 6.668 1.00 0.00 C ATOM 778 SD MET A 560 8.834 -7.004 5.465 1.00 0.00 S ATOM 779 CE MET A 560 9.090 -6.004 4.005 1.00 0.00 C ATOM 0 H MET A 560 5.822 -6.577 4.567 1.00 0.00 H new ATOM 0 HA MET A 560 5.720 -5.831 7.431 1.00 0.00 H new ATOM 0 HB2 MET A 560 7.354 -4.569 5.201 1.00 0.00 H new ATOM 0 HB3 MET A 560 7.218 -3.950 6.834 1.00 0.00 H new ATOM 0 HG2 MET A 560 9.267 -5.091 6.835 1.00 0.00 H new ATOM 0 HG3 MET A 560 8.167 -6.207 7.620 1.00 0.00 H new ATOM 0 HE1 MET A 560 9.917 -6.412 3.425 1.00 0.00 H new ATOM 0 HE2 MET A 560 8.185 -6.008 3.398 1.00 0.00 H new ATOM 0 HE3 MET A 560 9.324 -4.981 4.301 1.00 0.00 H new ATOM 789 N LYS A 561 4.169 -3.894 6.950 1.00 0.00 N ATOM 790 CA LYS A 561 3.154 -2.896 6.651 1.00 0.00 C ATOM 791 C LYS A 561 3.376 -1.668 7.522 1.00 0.00 C ATOM 792 O LYS A 561 2.539 -0.765 7.601 1.00 0.00 O ATOM 793 CB LYS A 561 1.740 -3.472 6.808 1.00 0.00 C ATOM 794 CG LYS A 561 1.371 -3.930 8.212 1.00 0.00 C ATOM 795 CD LYS A 561 0.651 -2.847 8.999 1.00 0.00 C ATOM 796 CE LYS A 561 -0.734 -2.583 8.434 1.00 0.00 C ATOM 797 NZ LYS A 561 -1.497 -1.587 9.229 1.00 0.00 N ATOM 0 H LYS A 561 4.387 -3.998 7.941 1.00 0.00 H new ATOM 0 HA LYS A 561 3.246 -2.594 5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 561 1.021 -2.716 6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 561 1.634 -4.318 6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 561 0.736 -4.814 8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 561 2.275 -4.224 8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 561 0.569 -3.147 10.044 1.00 0.00 H new ATOM 0 HD3 LYS A 561 1.237 -1.928 8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 561 -0.642 -2.229 7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 561 -1.292 -3.519 8.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 -2.515 -1.708 9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 -1.302 -1.727 10.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 -1.210 -0.627 8.951 1.00 0.00 H new ATOM 811 N GLN A 562 4.536 -1.653 8.155 1.00 0.00 N ATOM 812 CA GLN A 562 4.982 -0.524 8.940 1.00 0.00 C ATOM 813 C GLN A 562 6.269 0.017 8.344 1.00 0.00 C ATOM 814 O GLN A 562 7.090 -0.743 7.826 1.00 0.00 O ATOM 815 CB GLN A 562 5.226 -0.938 10.391 1.00 0.00 C ATOM 816 CG GLN A 562 4.017 -1.552 11.078 1.00 0.00 C ATOM 817 CD GLN A 562 2.873 -0.573 11.284 1.00 0.00 C ATOM 818 OE1 GLN A 562 1.704 -0.960 11.290 1.00 0.00 O ATOM 819 NE2 GLN A 562 3.194 0.695 11.475 1.00 0.00 N ATOM 0 H GLN A 562 5.196 -2.430 8.136 1.00 0.00 H new ATOM 0 HA GLN A 562 4.209 0.245 8.925 1.00 0.00 H new ATOM 0 HB2 GLN A 562 6.048 -1.654 10.419 1.00 0.00 H new ATOM 0 HB3 GLN A 562 5.546 -0.063 10.957 1.00 0.00 H new ATOM 0 HG2 GLN A 562 3.661 -2.394 10.485 1.00 0.00 H new ATOM 0 HG3 GLN A 562 4.322 -1.950 12.046 1.00 0.00 H new ATOM 0 HE21 GLN A 562 4.173 0.980 11.464 1.00 0.00 H new ATOM 0 HE22 GLN A 562 2.463 1.388 11.634 1.00 0.00 H new ATOM 828 N PHE A 563 6.439 1.323 8.419 1.00 0.00 N ATOM 829 CA PHE A 563 7.648 1.976 7.937 1.00 0.00 C ATOM 830 C PHE A 563 8.902 1.413 8.625 1.00 0.00 C ATOM 831 O PHE A 563 9.863 1.045 7.946 1.00 0.00 O ATOM 832 CB PHE A 563 7.542 3.488 8.155 1.00 0.00 C ATOM 833 CG PHE A 563 8.660 4.279 7.538 1.00 0.00 C ATOM 834 CD1 PHE A 563 9.086 4.011 6.247 1.00 0.00 C ATOM 835 CD2 PHE A 563 9.269 5.307 8.241 1.00 0.00 C ATOM 836 CE1 PHE A 563 10.097 4.753 5.669 1.00 0.00 C ATOM 837 CE2 PHE A 563 10.284 6.048 7.669 1.00 0.00 C ATOM 838 CZ PHE A 563 10.698 5.771 6.381 1.00 0.00 C ATOM 0 H PHE A 563 5.748 1.962 8.813 1.00 0.00 H new ATOM 0 HA PHE A 563 7.745 1.776 6.870 1.00 0.00 H new ATOM 0 HB2 PHE A 563 6.595 3.837 7.744 1.00 0.00 H new ATOM 0 HB3 PHE A 563 7.518 3.689 9.226 1.00 0.00 H new ATOM 0 HD1 PHE A 563 8.622 3.213 5.687 1.00 0.00 H new ATOM 0 HD2 PHE A 563 8.946 5.531 9.247 1.00 0.00 H new ATOM 0 HE1 PHE A 563 10.417 4.537 4.660 1.00 0.00 H new ATOM 0 HE2 PHE A 563 10.754 6.844 8.228 1.00 0.00 H new ATOM 0 HZ PHE A 563 11.491 6.350 5.932 1.00 0.00 H new ATOM 848 N PRO A 564 8.913 1.306 9.975 1.00 0.00 N ATOM 849 CA PRO A 564 10.066 0.777 10.717 1.00 0.00 C ATOM 850 C PRO A 564 10.370 -0.681 10.381 1.00 0.00 C ATOM 851 O PRO A 564 11.466 -1.166 10.654 1.00 0.00 O ATOM 852 CB PRO A 564 9.652 0.904 12.184 1.00 0.00 C ATOM 853 CG PRO A 564 8.169 0.972 12.151 1.00 0.00 C ATOM 854 CD PRO A 564 7.826 1.697 10.890 1.00 0.00 C ATOM 0 HA PRO A 564 10.977 1.322 10.468 1.00 0.00 H new ATOM 0 HB2 PRO A 564 9.997 0.051 12.768 1.00 0.00 H new ATOM 0 HB3 PRO A 564 10.080 1.797 12.641 1.00 0.00 H new ATOM 0 HG2 PRO A 564 7.731 -0.026 12.160 1.00 0.00 H new ATOM 0 HG3 PRO A 564 7.782 1.498 13.023 1.00 0.00 H new ATOM 0 HD2 PRO A 564 6.850 1.400 10.507 1.00 0.00 H new ATOM 0 HD3 PRO A 564 7.794 2.776 11.041 1.00 0.00 H new ATOM 862 N GLU A 565 9.419 -1.366 9.751 1.00 0.00 N ATOM 863 CA GLU A 565 9.615 -2.750 9.323 1.00 0.00 C ATOM 864 C GLU A 565 10.334 -2.806 7.985 1.00 0.00 C ATOM 865 O GLU A 565 11.033 -3.769 7.674 1.00 0.00 O ATOM 866 CB GLU A 565 8.281 -3.481 9.200 1.00 0.00 C ATOM 867 CG GLU A 565 7.599 -3.784 10.518 1.00 0.00 C ATOM 868 CD GLU A 565 6.340 -4.607 10.329 1.00 0.00 C ATOM 869 OE1 GLU A 565 5.461 -4.196 9.539 1.00 0.00 O ATOM 870 OE2 GLU A 565 6.232 -5.682 10.955 1.00 0.00 O ATOM 0 H GLU A 565 8.501 -0.984 9.524 1.00 0.00 H new ATOM 0 HA GLU A 565 10.224 -3.240 10.083 1.00 0.00 H new ATOM 0 HB2 GLU A 565 7.608 -2.880 8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 565 8.444 -4.418 8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 565 8.289 -4.321 11.168 1.00 0.00 H new ATOM 0 HG3 GLU A 565 7.349 -2.849 11.021 1.00 0.00 H new ATOM 877 N VAL A 566 10.141 -1.779 7.186 1.00 0.00 N ATOM 878 CA VAL A 566 10.769 -1.726 5.881 1.00 0.00 C ATOM 879 C VAL A 566 12.233 -1.306 6.006 1.00 0.00 C ATOM 880 O VAL A 566 13.116 -1.915 5.401 1.00 0.00 O ATOM 881 CB VAL A 566 9.996 -0.801 4.916 1.00 0.00 C ATOM 882 CG1 VAL A 566 10.776 -0.584 3.627 1.00 0.00 C ATOM 883 CG2 VAL A 566 8.620 -1.399 4.619 1.00 0.00 C ATOM 0 H VAL A 566 9.558 -0.973 7.414 1.00 0.00 H new ATOM 0 HA VAL A 566 10.740 -2.728 5.453 1.00 0.00 H new ATOM 0 HB VAL A 566 9.866 0.170 5.393 1.00 0.00 H new ATOM 0 HG11 VAL A 566 10.210 0.071 2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 566 11.737 -0.124 3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 566 10.940 -1.543 3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 566 8.078 -0.743 3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 566 8.741 -2.380 4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 566 8.059 -1.501 5.548 1.00 0.00 H new ATOM 893 N ILE A 567 12.487 -0.287 6.825 1.00 0.00 N ATOM 894 CA ILE A 567 13.853 0.214 7.046 1.00 0.00 C ATOM 895 C ILE A 567 14.763 -0.881 7.598 1.00 0.00 C ATOM 896 O ILE A 567 15.957 -0.928 7.299 1.00 0.00 O ATOM 897 CB ILE A 567 13.885 1.407 8.023 1.00 0.00 C ATOM 898 CG1 ILE A 567 12.692 2.326 7.783 1.00 0.00 C ATOM 899 CG2 ILE A 567 15.186 2.185 7.863 1.00 0.00 C ATOM 900 CD1 ILE A 567 12.601 2.831 6.364 1.00 0.00 C ATOM 0 H ILE A 567 11.768 0.212 7.349 1.00 0.00 H new ATOM 0 HA ILE A 567 14.213 0.542 6.071 1.00 0.00 H new ATOM 0 HB ILE A 567 13.828 1.021 9.041 1.00 0.00 H new ATOM 0 HG12 ILE A 567 11.775 1.791 8.030 1.00 0.00 H new ATOM 0 HG13 ILE A 567 12.757 3.177 8.460 1.00 0.00 H new ATOM 0 HG21 ILE A 567 15.196 3.024 8.558 1.00 0.00 H new ATOM 0 HG22 ILE A 567 16.031 1.529 8.074 1.00 0.00 H new ATOM 0 HG23 ILE A 567 15.263 2.559 6.842 1.00 0.00 H new ATOM 0 HD11 ILE A 567 11.730 3.479 6.263 1.00 0.00 H new ATOM 0 HD12 ILE A 567 13.502 3.394 6.120 1.00 0.00 H new ATOM 0 HD13 ILE A 567 12.505 1.986 5.682 1.00 0.00 H new ATOM 912 N LYS A 568 14.183 -1.770 8.389 1.00 0.00 N ATOM 913 CA LYS A 568 14.960 -2.864 8.954 1.00 0.00 C ATOM 914 C LYS A 568 15.259 -3.917 7.899 1.00 0.00 C ATOM 915 O LYS A 568 16.351 -4.470 7.866 1.00 0.00 O ATOM 916 CB LYS A 568 14.280 -3.483 10.177 1.00 0.00 C ATOM 917 CG LYS A 568 12.883 -3.995 9.915 1.00 0.00 C ATOM 918 CD LYS A 568 12.263 -4.617 11.159 1.00 0.00 C ATOM 919 CE LYS A 568 12.136 -3.609 12.293 1.00 0.00 C ATOM 920 NZ LYS A 568 11.478 -4.194 13.490 1.00 0.00 N ATOM 0 H LYS A 568 13.197 -1.759 8.651 1.00 0.00 H new ATOM 0 HA LYS A 568 15.906 -2.445 9.296 1.00 0.00 H new ATOM 0 HB2 LYS A 568 14.894 -4.306 10.543 1.00 0.00 H new ATOM 0 HB3 LYS A 568 14.239 -2.738 10.972 1.00 0.00 H new ATOM 0 HG2 LYS A 568 12.255 -3.175 9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 568 12.912 -4.735 9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 568 11.278 -5.014 10.914 1.00 0.00 H new ATOM 0 HD3 LYS A 568 12.873 -5.458 11.487 1.00 0.00 H new ATOM 0 HE2 LYS A 568 13.126 -3.245 12.566 1.00 0.00 H new ATOM 0 HE3 LYS A 568 11.563 -2.748 11.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 11.412 -3.473 14.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 10.523 -4.519 13.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 12.038 -5.000 13.835 1.00 0.00 H new ATOM 934 N TYR A 569 14.303 -4.163 7.009 1.00 0.00 N ATOM 935 CA TYR A 569 14.451 -5.188 5.987 1.00 0.00 C ATOM 936 C TYR A 569 15.547 -4.790 5.010 1.00 0.00 C ATOM 937 O TYR A 569 16.361 -5.616 4.608 1.00 0.00 O ATOM 938 CB TYR A 569 13.129 -5.395 5.240 1.00 0.00 C ATOM 939 CG TYR A 569 13.134 -6.573 4.286 1.00 0.00 C ATOM 940 CD1 TYR A 569 13.724 -6.480 3.032 1.00 0.00 C ATOM 941 CD2 TYR A 569 12.538 -7.775 4.639 1.00 0.00 C ATOM 942 CE1 TYR A 569 13.720 -7.552 2.158 1.00 0.00 C ATOM 943 CE2 TYR A 569 12.529 -8.854 3.774 1.00 0.00 C ATOM 944 CZ TYR A 569 13.121 -8.737 2.533 1.00 0.00 C ATOM 945 OH TYR A 569 13.116 -9.808 1.666 1.00 0.00 O ATOM 0 H TYR A 569 13.415 -3.663 6.977 1.00 0.00 H new ATOM 0 HA TYR A 569 14.726 -6.126 6.469 1.00 0.00 H new ATOM 0 HB2 TYR A 569 12.331 -5.535 5.969 1.00 0.00 H new ATOM 0 HB3 TYR A 569 12.895 -4.489 4.681 1.00 0.00 H new ATOM 0 HD1 TYR A 569 14.194 -5.554 2.734 1.00 0.00 H new ATOM 0 HD2 TYR A 569 12.072 -7.870 5.609 1.00 0.00 H new ATOM 0 HE1 TYR A 569 14.184 -7.462 1.187 1.00 0.00 H new ATOM 0 HE2 TYR A 569 12.062 -9.782 4.068 1.00 0.00 H new ATOM 0 HH TYR A 569 13.117 -10.644 2.178 1.00 0.00 H new ATOM 955 N LEU A 570 15.578 -3.512 4.663 1.00 0.00 N ATOM 956 CA LEU A 570 16.547 -2.999 3.705 1.00 0.00 C ATOM 957 C LEU A 570 17.954 -3.066 4.282 1.00 0.00 C ATOM 958 O LEU A 570 18.919 -3.333 3.569 1.00 0.00 O ATOM 959 CB LEU A 570 16.209 -1.556 3.333 1.00 0.00 C ATOM 960 CG LEU A 570 14.755 -1.309 2.924 1.00 0.00 C ATOM 961 CD1 LEU A 570 14.560 0.132 2.494 1.00 0.00 C ATOM 962 CD2 LEU A 570 14.335 -2.261 1.817 1.00 0.00 C ATOM 0 H LEU A 570 14.940 -2.808 5.033 1.00 0.00 H new ATOM 0 HA LEU A 570 16.505 -3.618 2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 570 16.444 -0.915 4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 570 16.857 -1.248 2.512 1.00 0.00 H new ATOM 0 HG LEU A 570 14.121 -1.498 3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 570 13.520 0.288 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 570 14.812 0.796 3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 570 15.208 0.349 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 570 13.298 -2.066 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 570 14.974 -2.112 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 570 14.431 -3.289 2.166 1.00 0.00 H new ATOM 974 N SER A 571 18.061 -2.792 5.574 1.00 0.00 N ATOM 975 CA SER A 571 19.339 -2.841 6.263 1.00 0.00 C ATOM 976 C SER A 571 19.784 -4.290 6.489 1.00 0.00 C ATOM 977 O SER A 571 20.943 -4.637 6.263 1.00 0.00 O ATOM 978 CB SER A 571 19.240 -2.095 7.598 1.00 0.00 C ATOM 979 OG SER A 571 20.509 -1.972 8.220 1.00 0.00 O ATOM 0 H SER A 571 17.273 -2.532 6.167 1.00 0.00 H new ATOM 0 HA SER A 571 20.088 -2.354 5.639 1.00 0.00 H new ATOM 0 HB2 SER A 571 18.817 -1.104 7.432 1.00 0.00 H new ATOM 0 HB3 SER A 571 18.558 -2.625 8.263 1.00 0.00 H new ATOM 0 HG SER A 571 20.412 -1.491 9.068 1.00 0.00 H new ATOM 985 N ARG A 572 18.851 -5.130 6.925 1.00 0.00 N ATOM 986 CA ARG A 572 19.158 -6.513 7.283 1.00 0.00 C ATOM 987 C ARG A 572 19.367 -7.385 6.049 1.00 0.00 C ATOM 988 O ARG A 572 20.177 -8.310 6.066 1.00 0.00 O ATOM 989 CB ARG A 572 18.037 -7.090 8.150 1.00 0.00 C ATOM 990 CG ARG A 572 17.941 -6.439 9.522 1.00 0.00 C ATOM 991 CD ARG A 572 16.639 -6.794 10.224 1.00 0.00 C ATOM 992 NE ARG A 572 16.567 -6.221 11.566 1.00 0.00 N ATOM 993 CZ ARG A 572 15.554 -6.415 12.406 1.00 0.00 C ATOM 994 NH1 ARG A 572 14.525 -7.169 12.047 1.00 0.00 N ATOM 995 NH2 ARG A 572 15.569 -5.849 13.606 1.00 0.00 N ATOM 0 H ARG A 572 17.870 -4.876 7.040 1.00 0.00 H new ATOM 0 HA ARG A 572 20.091 -6.510 7.847 1.00 0.00 H new ATOM 0 HB2 ARG A 572 17.086 -6.969 7.631 1.00 0.00 H new ATOM 0 HB3 ARG A 572 18.198 -8.161 8.274 1.00 0.00 H new ATOM 0 HG2 ARG A 572 18.784 -6.758 10.136 1.00 0.00 H new ATOM 0 HG3 ARG A 572 18.014 -5.357 9.417 1.00 0.00 H new ATOM 0 HD2 ARG A 572 15.798 -6.435 9.631 1.00 0.00 H new ATOM 0 HD3 ARG A 572 16.545 -7.878 10.287 1.00 0.00 H new ATOM 0 HE ARG A 572 17.342 -5.636 11.878 1.00 0.00 H new ATOM 0 HH11 ARG A 572 14.508 -7.603 11.124 1.00 0.00 H new ATOM 0 HH12 ARG A 572 13.750 -7.316 12.694 1.00 0.00 H new ATOM 0 HH21 ARG A 572 16.357 -5.265 13.885 1.00 0.00 H new ATOM 0 HH22 ARG A 572 14.792 -5.998 14.250 1.00 0.00 H new ATOM 1009 N ASN A 573 18.632 -7.098 4.987 1.00 0.00 N ATOM 1010 CA ASN A 573 18.761 -7.855 3.747 1.00 0.00 C ATOM 1011 C ASN A 573 19.565 -7.051 2.739 1.00 0.00 C ATOM 1012 O ASN A 573 19.956 -5.916 3.011 1.00 0.00 O ATOM 1013 CB ASN A 573 17.390 -8.197 3.139 1.00 0.00 C ATOM 1014 CG ASN A 573 16.556 -9.153 3.979 1.00 0.00 C ATOM 1015 OD1 ASN A 573 16.480 -8.911 5.278 1.00 0.00 O flip ATOM 1016 ND2 ASN A 573 15.934 -10.072 3.448 1.00 0.00 N flip ATOM 0 H ASN A 573 17.941 -6.349 4.956 1.00 0.00 H new ATOM 0 HA ASN A 573 19.271 -8.789 3.983 1.00 0.00 H new ATOM 0 HB2 ASN A 573 16.829 -7.274 2.995 1.00 0.00 H new ATOM 0 HB3 ASN A 573 17.542 -8.636 2.153 1.00 0.00 H new ATOM 0 HD21 ASN A 573 16.016 -10.230 2.444 1.00 0.00 H new ATOM 0 HD22 ASN A 573 15.336 -10.676 4.012 1.00 0.00 H new ATOM 1023 N VAL A 574 19.821 -7.634 1.581 1.00 0.00 N ATOM 1024 CA VAL A 574 20.480 -6.905 0.514 1.00 0.00 C ATOM 1025 C VAL A 574 19.442 -6.374 -0.460 1.00 0.00 C ATOM 1026 O VAL A 574 18.722 -7.146 -1.098 1.00 0.00 O ATOM 1027 CB VAL A 574 21.488 -7.786 -0.252 1.00 0.00 C ATOM 1028 CG1 VAL A 574 22.216 -6.971 -1.312 1.00 0.00 C ATOM 1029 CG2 VAL A 574 22.479 -8.425 0.706 1.00 0.00 C ATOM 0 H VAL A 574 19.585 -8.601 1.357 1.00 0.00 H new ATOM 0 HA VAL A 574 21.030 -6.082 0.971 1.00 0.00 H new ATOM 0 HB VAL A 574 20.935 -8.581 -0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 574 22.922 -7.611 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 574 21.493 -6.566 -2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 574 22.755 -6.152 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 574 23.181 -9.042 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 574 23.025 -7.646 1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 574 21.943 -9.046 1.423 1.00 0.00 H new ATOM 1039 N VAL A 575 19.367 -5.058 -0.569 1.00 0.00 N ATOM 1040 CA VAL A 575 18.429 -4.413 -1.473 1.00 0.00 C ATOM 1041 C VAL A 575 19.124 -3.257 -2.177 1.00 0.00 C ATOM 1042 O VAL A 575 19.365 -2.206 -1.582 1.00 0.00 O ATOM 1043 CB VAL A 575 17.177 -3.887 -0.736 1.00 0.00 C ATOM 1044 CG1 VAL A 575 16.168 -3.354 -1.731 1.00 0.00 C ATOM 1045 CG2 VAL A 575 16.543 -4.969 0.125 1.00 0.00 C ATOM 0 H VAL A 575 19.950 -4.411 -0.038 1.00 0.00 H new ATOM 0 HA VAL A 575 18.098 -5.159 -2.196 1.00 0.00 H new ATOM 0 HB VAL A 575 17.493 -3.077 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 575 15.291 -2.987 -1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 575 16.614 -2.539 -2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 575 15.871 -4.152 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 575 15.665 -4.565 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 575 16.246 -5.808 -0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 575 17.263 -5.311 0.869 1.00 0.00 H new ATOM 1055 N HIS A 576 19.460 -3.466 -3.437 1.00 0.00 N ATOM 1056 CA HIS A 576 20.257 -2.507 -4.193 1.00 0.00 C ATOM 1057 C HIS A 576 19.403 -1.716 -5.178 1.00 0.00 C ATOM 1058 O HIS A 576 19.849 -0.711 -5.732 1.00 0.00 O ATOM 1059 CB HIS A 576 21.363 -3.253 -4.947 1.00 0.00 C ATOM 1060 CG HIS A 576 20.841 -4.315 -5.871 1.00 0.00 C ATOM 1061 ND1 HIS A 576 20.457 -5.551 -5.400 1.00 0.00 N ATOM 1062 CD2 HIS A 576 20.637 -4.270 -7.210 1.00 0.00 C ATOM 1063 CE1 HIS A 576 20.029 -6.222 -6.456 1.00 0.00 C ATOM 1064 NE2 HIS A 576 20.120 -5.486 -7.569 1.00 0.00 N ATOM 0 H HIS A 576 19.193 -4.297 -3.965 1.00 0.00 H new ATOM 0 HA HIS A 576 20.694 -1.797 -3.490 1.00 0.00 H new ATOM 0 HB2 HIS A 576 21.948 -2.536 -5.523 1.00 0.00 H new ATOM 0 HB3 HIS A 576 22.040 -3.710 -4.225 1.00 0.00 H new ATOM 0 HD2 HIS A 576 20.842 -3.437 -7.866 1.00 0.00 H new ATOM 0 HE1 HIS A 576 19.654 -7.234 -6.424 1.00 0.00 H new ATOM 0 HE2 HIS A 576 19.854 -5.776 -8.510 1.00 0.00 H new ATOM 1072 N SER A 577 18.187 -2.176 -5.403 1.00 0.00 N ATOM 1073 CA SER A 577 17.316 -1.571 -6.396 1.00 0.00 C ATOM 1074 C SER A 577 16.393 -0.526 -5.776 1.00 0.00 C ATOM 1075 O SER A 577 16.219 0.572 -6.310 1.00 0.00 O ATOM 1076 CB SER A 577 16.492 -2.672 -7.050 1.00 0.00 C ATOM 1077 OG SER A 577 15.954 -3.542 -6.066 1.00 0.00 O ATOM 0 H SER A 577 17.778 -2.970 -4.910 1.00 0.00 H new ATOM 0 HA SER A 577 17.930 -1.060 -7.138 1.00 0.00 H new ATOM 0 HB2 SER A 577 15.685 -2.231 -7.635 1.00 0.00 H new ATOM 0 HB3 SER A 577 17.115 -3.238 -7.743 1.00 0.00 H new ATOM 0 HG SER A 577 15.426 -4.243 -6.502 1.00 0.00 H new ATOM 1083 N VAL A 578 15.817 -0.880 -4.644 1.00 0.00 N ATOM 1084 CA VAL A 578 14.836 -0.025 -4.000 1.00 0.00 C ATOM 1085 C VAL A 578 15.269 0.431 -2.611 1.00 0.00 C ATOM 1086 O VAL A 578 15.897 -0.308 -1.855 1.00 0.00 O ATOM 1087 CB VAL A 578 13.450 -0.706 -3.942 1.00 0.00 C ATOM 1088 CG1 VAL A 578 12.778 -0.638 -5.302 1.00 0.00 C ATOM 1089 CG2 VAL A 578 13.566 -2.156 -3.500 1.00 0.00 C ATOM 0 H VAL A 578 16.010 -1.752 -4.151 1.00 0.00 H new ATOM 0 HA VAL A 578 14.759 0.869 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 578 12.845 -0.172 -3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 578 11.802 -1.121 -5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 578 12.652 0.405 -5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 578 13.397 -1.149 -6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 578 12.574 -2.607 -3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 578 14.192 -2.703 -4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 578 14.015 -2.199 -2.508 1.00 0.00 H new ATOM 1099 N ARG A 579 14.960 1.682 -2.311 1.00 0.00 N ATOM 1100 CA ARG A 579 15.232 2.264 -1.010 1.00 0.00 C ATOM 1101 C ARG A 579 13.908 2.554 -0.327 1.00 0.00 C ATOM 1102 O ARG A 579 12.856 2.402 -0.944 1.00 0.00 O ATOM 1103 CB ARG A 579 16.039 3.558 -1.144 1.00 0.00 C ATOM 1104 CG ARG A 579 17.238 3.452 -2.077 1.00 0.00 C ATOM 1105 CD ARG A 579 18.219 2.392 -1.605 1.00 0.00 C ATOM 1106 NE ARG A 579 18.711 2.670 -0.254 1.00 0.00 N ATOM 1107 CZ ARG A 579 19.078 1.731 0.619 1.00 0.00 C ATOM 1108 NH1 ARG A 579 19.026 0.447 0.285 1.00 0.00 N ATOM 1109 NH2 ARG A 579 19.504 2.078 1.829 1.00 0.00 N ATOM 0 H ARG A 579 14.512 2.323 -2.966 1.00 0.00 H new ATOM 0 HA ARG A 579 15.821 1.562 -0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 579 15.380 4.348 -1.505 1.00 0.00 H new ATOM 0 HB3 ARG A 579 16.387 3.860 -0.156 1.00 0.00 H new ATOM 0 HG2 ARG A 579 16.897 3.211 -3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 579 17.742 4.417 -2.134 1.00 0.00 H new ATOM 0 HD2 ARG A 579 17.735 1.415 -1.622 1.00 0.00 H new ATOM 0 HD3 ARG A 579 19.061 2.343 -2.296 1.00 0.00 H new ATOM 0 HE ARG A 579 18.777 3.645 0.038 1.00 0.00 H new ATOM 0 HH11 ARG A 579 18.704 0.174 -0.644 1.00 0.00 H new ATOM 0 HH12 ARG A 579 19.308 -0.267 0.957 1.00 0.00 H new ATOM 0 HH21 ARG A 579 19.550 3.063 2.090 1.00 0.00 H new ATOM 0 HH22 ARG A 579 19.785 1.359 2.496 1.00 0.00 H new ATOM 1123 N ARG A 580 13.947 2.971 0.932 1.00 0.00 N ATOM 1124 CA ARG A 580 12.733 3.245 1.695 1.00 0.00 C ATOM 1125 C ARG A 580 11.805 4.229 0.977 1.00 0.00 C ATOM 1126 O ARG A 580 10.588 4.137 1.115 1.00 0.00 O ATOM 1127 CB ARG A 580 13.057 3.764 3.099 1.00 0.00 C ATOM 1128 CG ARG A 580 13.870 5.045 3.128 1.00 0.00 C ATOM 1129 CD ARG A 580 15.361 4.759 3.193 1.00 0.00 C ATOM 1130 NE ARG A 580 16.154 5.971 3.388 1.00 0.00 N ATOM 1131 CZ ARG A 580 17.310 6.005 4.055 1.00 0.00 C ATOM 1132 NH1 ARG A 580 17.784 4.905 4.633 1.00 0.00 N ATOM 1133 NH2 ARG A 580 17.989 7.139 4.150 1.00 0.00 N ATOM 0 H ARG A 580 14.811 3.128 1.450 1.00 0.00 H new ATOM 0 HA ARG A 580 12.209 2.293 1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 580 12.123 3.930 3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 580 13.602 2.991 3.641 1.00 0.00 H new ATOM 0 HG2 ARG A 580 13.651 5.636 2.239 1.00 0.00 H new ATOM 0 HG3 ARG A 580 13.576 5.644 3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 580 15.559 4.064 4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 580 15.674 4.268 2.272 1.00 0.00 H new ATOM 0 HE ARG A 580 15.803 6.843 2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 580 17.264 4.030 4.568 1.00 0.00 H new ATOM 0 HH12 ARG A 580 18.668 4.936 5.141 1.00 0.00 H new ATOM 0 HH21 ARG A 580 17.629 7.987 3.713 1.00 0.00 H new ATOM 0 HH22 ARG A 580 18.872 7.164 4.660 1.00 0.00 H new ATOM 1147 N GLU A 581 12.370 5.169 0.214 1.00 0.00 N ATOM 1148 CA GLU A 581 11.574 6.141 -0.535 1.00 0.00 C ATOM 1149 C GLU A 581 10.670 5.489 -1.581 1.00 0.00 C ATOM 1150 O GLU A 581 9.654 6.063 -1.968 1.00 0.00 O ATOM 1151 CB GLU A 581 12.487 7.168 -1.206 1.00 0.00 C ATOM 1152 CG GLU A 581 13.392 6.583 -2.276 1.00 0.00 C ATOM 1153 CD GLU A 581 14.455 7.563 -2.725 1.00 0.00 C ATOM 1154 OE1 GLU A 581 15.434 7.756 -1.972 1.00 0.00 O ATOM 1155 OE2 GLU A 581 14.314 8.151 -3.821 1.00 0.00 O ATOM 0 H GLU A 581 13.378 5.276 0.100 1.00 0.00 H new ATOM 0 HA GLU A 581 10.925 6.636 0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 581 11.872 7.949 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 581 13.103 7.644 -0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 581 13.870 5.682 -1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 581 12.790 6.284 -3.134 1.00 0.00 H new ATOM 1162 N HIS A 582 11.034 4.297 -2.027 1.00 0.00 N ATOM 1163 CA HIS A 582 10.255 3.580 -3.033 1.00 0.00 C ATOM 1164 C HIS A 582 9.024 2.937 -2.407 1.00 0.00 C ATOM 1165 O HIS A 582 8.117 2.485 -3.104 1.00 0.00 O ATOM 1166 CB HIS A 582 11.112 2.521 -3.726 1.00 0.00 C ATOM 1167 CG HIS A 582 12.180 3.094 -4.603 1.00 0.00 C ATOM 1168 ND1 HIS A 582 13.505 3.045 -4.250 1.00 0.00 N ATOM 1169 CD2 HIS A 582 12.066 3.703 -5.805 1.00 0.00 C ATOM 1170 CE1 HIS A 582 14.163 3.619 -5.240 1.00 0.00 C ATOM 1171 NE2 HIS A 582 13.332 4.037 -6.205 1.00 0.00 N ATOM 0 H HIS A 582 11.867 3.801 -1.709 1.00 0.00 H new ATOM 0 HA HIS A 582 9.924 4.301 -3.780 1.00 0.00 H new ATOM 0 HB2 HIS A 582 11.576 1.889 -2.969 1.00 0.00 H new ATOM 0 HB3 HIS A 582 10.467 1.879 -4.326 1.00 0.00 H new ATOM 0 HD2 HIS A 582 11.150 3.890 -6.346 1.00 0.00 H new ATOM 0 HE1 HIS A 582 15.236 3.737 -5.269 1.00 0.00 H new ATOM 0 HE2 HIS A 582 13.592 4.512 -7.069 1.00 0.00 H new ATOM 1179 N PHE A 583 9.005 2.902 -1.086 1.00 0.00 N ATOM 1180 CA PHE A 583 7.911 2.294 -0.349 1.00 0.00 C ATOM 1181 C PHE A 583 7.087 3.380 0.319 1.00 0.00 C ATOM 1182 O PHE A 583 7.619 4.200 1.068 1.00 0.00 O ATOM 1183 CB PHE A 583 8.447 1.316 0.697 1.00 0.00 C ATOM 1184 CG PHE A 583 9.395 0.302 0.125 1.00 0.00 C ATOM 1185 CD1 PHE A 583 8.935 -0.724 -0.676 1.00 0.00 C ATOM 1186 CD2 PHE A 583 10.749 0.387 0.383 1.00 0.00 C ATOM 1187 CE1 PHE A 583 9.810 -1.648 -1.208 1.00 0.00 C ATOM 1188 CE2 PHE A 583 11.631 -0.532 -0.145 1.00 0.00 C ATOM 1189 CZ PHE A 583 11.161 -1.552 -0.942 1.00 0.00 C ATOM 0 H PHE A 583 9.742 3.291 -0.498 1.00 0.00 H new ATOM 0 HA PHE A 583 7.280 1.738 -1.043 1.00 0.00 H new ATOM 0 HB2 PHE A 583 8.954 1.876 1.483 1.00 0.00 H new ATOM 0 HB3 PHE A 583 7.609 0.798 1.164 1.00 0.00 H new ATOM 0 HD1 PHE A 583 7.879 -0.804 -0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 583 11.123 1.185 1.008 1.00 0.00 H new ATOM 0 HE1 PHE A 583 9.438 -2.447 -1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 583 12.687 -0.452 0.066 1.00 0.00 H new ATOM 0 HZ PHE A 583 11.848 -2.275 -1.358 1.00 0.00 H new ATOM 1199 N SER A 584 5.797 3.399 0.057 1.00 0.00 N ATOM 1200 CA SER A 584 4.941 4.446 0.578 1.00 0.00 C ATOM 1201 C SER A 584 3.665 3.835 1.126 1.00 0.00 C ATOM 1202 O SER A 584 3.047 2.992 0.476 1.00 0.00 O ATOM 1203 CB SER A 584 4.624 5.467 -0.517 1.00 0.00 C ATOM 1204 OG SER A 584 4.056 4.838 -1.652 1.00 0.00 O ATOM 0 H SER A 584 5.318 2.702 -0.513 1.00 0.00 H new ATOM 0 HA SER A 584 5.459 4.964 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 584 3.935 6.217 -0.130 1.00 0.00 H new ATOM 0 HB3 SER A 584 5.536 5.990 -0.806 1.00 0.00 H new ATOM 0 HG SER A 584 3.576 5.503 -2.189 1.00 0.00 H new ATOM 1210 N PHE A 585 3.275 4.249 2.319 1.00 0.00 N ATOM 1211 CA PHE A 585 2.099 3.690 2.959 1.00 0.00 C ATOM 1212 C PHE A 585 0.904 4.622 2.821 1.00 0.00 C ATOM 1213 O PHE A 585 -0.192 4.329 3.305 1.00 0.00 O ATOM 1214 CB PHE A 585 2.388 3.374 4.425 1.00 0.00 C ATOM 1215 CG PHE A 585 3.286 2.183 4.593 1.00 0.00 C ATOM 1216 CD1 PHE A 585 2.798 0.916 4.351 1.00 0.00 C ATOM 1217 CD2 PHE A 585 4.611 2.323 4.982 1.00 0.00 C ATOM 1218 CE1 PHE A 585 3.598 -0.193 4.488 1.00 0.00 C ATOM 1219 CE2 PHE A 585 5.421 1.210 5.122 1.00 0.00 C ATOM 1220 CZ PHE A 585 4.910 -0.051 4.873 1.00 0.00 C ATOM 0 H PHE A 585 3.754 4.968 2.862 1.00 0.00 H new ATOM 0 HA PHE A 585 1.846 2.758 2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 585 2.850 4.242 4.896 1.00 0.00 H new ATOM 0 HB3 PHE A 585 1.448 3.192 4.946 1.00 0.00 H new ATOM 0 HD1 PHE A 585 1.769 0.793 4.048 1.00 0.00 H new ATOM 0 HD2 PHE A 585 5.012 3.307 5.177 1.00 0.00 H new ATOM 0 HE1 PHE A 585 3.196 -1.176 4.293 1.00 0.00 H new ATOM 0 HE2 PHE A 585 6.451 1.326 5.425 1.00 0.00 H new ATOM 0 HZ PHE A 585 5.540 -0.922 4.981 1.00 0.00 H new ATOM 1230 N SER A 586 1.136 5.752 2.175 1.00 0.00 N ATOM 1231 CA SER A 586 0.068 6.667 1.804 1.00 0.00 C ATOM 1232 C SER A 586 -0.924 5.993 0.852 1.00 0.00 C ATOM 1233 O SER A 586 -0.577 5.670 -0.285 1.00 0.00 O ATOM 1234 CB SER A 586 0.676 7.896 1.126 1.00 0.00 C ATOM 1235 OG SER A 586 1.643 8.510 1.963 1.00 0.00 O ATOM 0 H SER A 586 2.066 6.061 1.893 1.00 0.00 H new ATOM 0 HA SER A 586 -0.470 6.963 2.705 1.00 0.00 H new ATOM 0 HB2 SER A 586 1.138 7.605 0.183 1.00 0.00 H new ATOM 0 HB3 SER A 586 -0.111 8.611 0.888 1.00 0.00 H new ATOM 0 HG SER A 586 2.020 9.292 1.509 1.00 0.00 H new ATOM 1241 N PRO A 587 -2.179 5.780 1.295 1.00 0.00 N ATOM 1242 CA PRO A 587 -3.217 5.160 0.462 1.00 0.00 C ATOM 1243 C PRO A 587 -3.737 6.107 -0.617 1.00 0.00 C ATOM 1244 O PRO A 587 -4.729 5.823 -1.283 1.00 0.00 O ATOM 1245 CB PRO A 587 -4.321 4.839 1.466 1.00 0.00 C ATOM 1246 CG PRO A 587 -4.172 5.882 2.514 1.00 0.00 C ATOM 1247 CD PRO A 587 -2.689 6.107 2.644 1.00 0.00 C ATOM 0 HA PRO A 587 -2.844 4.291 -0.080 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -5.306 4.879 1.001 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -4.204 3.838 1.881 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -4.686 6.801 2.230 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -4.604 5.554 3.459 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -2.461 7.136 2.923 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -2.250 5.465 3.407 1.00 0.00 H new ATOM 1255 N ARG A 588 -3.056 7.234 -0.786 1.00 0.00 N ATOM 1256 CA ARG A 588 -3.389 8.202 -1.818 1.00 0.00 C ATOM 1257 C ARG A 588 -2.568 7.923 -3.069 1.00 0.00 C ATOM 1258 O ARG A 588 -2.700 8.606 -4.083 1.00 0.00 O ATOM 1259 CB ARG A 588 -3.106 9.620 -1.322 1.00 0.00 C ATOM 1260 CG ARG A 588 -3.938 10.036 -0.120 1.00 0.00 C ATOM 1261 CD ARG A 588 -3.486 11.381 0.426 1.00 0.00 C ATOM 1262 NE ARG A 588 -2.145 11.313 1.010 1.00 0.00 N ATOM 1263 CZ ARG A 588 -1.050 11.828 0.446 1.00 0.00 C ATOM 1264 NH1 ARG A 588 -1.116 12.422 -0.743 1.00 0.00 N ATOM 1265 NH2 ARG A 588 0.117 11.741 1.072 1.00 0.00 N ATOM 0 H ARG A 588 -2.257 7.500 -0.210 1.00 0.00 H new ATOM 0 HA ARG A 588 -4.449 8.115 -2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 588 -2.050 9.699 -1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 588 -3.288 10.321 -2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 588 -4.989 10.091 -0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 588 -3.858 9.279 0.660 1.00 0.00 H new ATOM 0 HD2 ARG A 588 -3.495 12.119 -0.376 1.00 0.00 H new ATOM 0 HD3 ARG A 588 -4.194 11.722 1.182 1.00 0.00 H new ATOM 0 HE ARG A 588 -2.040 10.841 1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 588 -2.009 12.487 -1.232 1.00 0.00 H new ATOM 0 HH12 ARG A 588 -0.274 12.812 -1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 588 0.175 11.282 1.981 1.00 0.00 H new ATOM 0 HH22 ARG A 588 0.956 12.133 0.644 1.00 0.00 H new ATOM 1279 N MET A 589 -1.718 6.911 -2.974 1.00 0.00 N ATOM 1280 CA MET A 589 -0.850 6.529 -4.076 1.00 0.00 C ATOM 1281 C MET A 589 -1.516 5.462 -4.940 1.00 0.00 C ATOM 1282 O MET A 589 -1.661 4.313 -4.517 1.00 0.00 O ATOM 1283 CB MET A 589 0.488 6.016 -3.537 1.00 0.00 C ATOM 1284 CG MET A 589 1.525 5.772 -4.613 1.00 0.00 C ATOM 1285 SD MET A 589 1.903 7.258 -5.562 1.00 0.00 S ATOM 1286 CE MET A 589 2.585 8.322 -4.289 1.00 0.00 C ATOM 0 H MET A 589 -1.611 6.336 -2.138 1.00 0.00 H new ATOM 0 HA MET A 589 -0.668 7.407 -4.695 1.00 0.00 H new ATOM 0 HB2 MET A 589 0.882 6.738 -2.822 1.00 0.00 H new ATOM 0 HB3 MET A 589 0.318 5.088 -2.992 1.00 0.00 H new ATOM 0 HG2 MET A 589 2.439 5.397 -4.153 1.00 0.00 H new ATOM 0 HG3 MET A 589 1.166 4.995 -5.289 1.00 0.00 H new ATOM 0 HE1 MET A 589 3.134 9.141 -4.755 1.00 0.00 H new ATOM 0 HE2 MET A 589 1.776 8.727 -3.681 1.00 0.00 H new ATOM 0 HE3 MET A 589 3.260 7.746 -3.657 1.00 0.00 H new ATOM 1296 N PRO A 590 -1.923 5.828 -6.166 1.00 0.00 N ATOM 1297 CA PRO A 590 -2.618 4.921 -7.085 1.00 0.00 C ATOM 1298 C PRO A 590 -1.657 3.978 -7.807 1.00 0.00 C ATOM 1299 O PRO A 590 -1.692 3.849 -9.032 1.00 0.00 O ATOM 1300 CB PRO A 590 -3.275 5.884 -8.072 1.00 0.00 C ATOM 1301 CG PRO A 590 -2.347 7.049 -8.129 1.00 0.00 C ATOM 1302 CD PRO A 590 -1.731 7.168 -6.759 1.00 0.00 C ATOM 0 HA PRO A 590 -3.319 4.263 -6.572 1.00 0.00 H new ATOM 0 HB2 PRO A 590 -3.397 5.425 -9.053 1.00 0.00 H new ATOM 0 HB3 PRO A 590 -4.267 6.183 -7.734 1.00 0.00 H new ATOM 0 HG2 PRO A 590 -1.580 6.898 -8.888 1.00 0.00 H new ATOM 0 HG3 PRO A 590 -2.883 7.960 -8.395 1.00 0.00 H new ATOM 0 HD2 PRO A 590 -0.675 7.432 -6.817 1.00 0.00 H new ATOM 0 HD3 PRO A 590 -2.220 7.941 -6.167 1.00 0.00 H new ATOM 1310 N VAL A 591 -0.830 3.290 -7.034 1.00 0.00 N ATOM 1311 CA VAL A 591 0.196 2.415 -7.590 1.00 0.00 C ATOM 1312 C VAL A 591 0.281 1.154 -6.759 1.00 0.00 C ATOM 1313 O VAL A 591 0.621 1.218 -5.587 1.00 0.00 O ATOM 1314 CB VAL A 591 1.579 3.088 -7.591 1.00 0.00 C ATOM 1315 CG1 VAL A 591 2.592 2.227 -8.319 1.00 0.00 C ATOM 1316 CG2 VAL A 591 1.513 4.474 -8.206 1.00 0.00 C ATOM 0 H VAL A 591 -0.848 3.320 -6.015 1.00 0.00 H new ATOM 0 HA VAL A 591 -0.083 2.189 -8.619 1.00 0.00 H new ATOM 0 HB VAL A 591 1.900 3.196 -6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 591 3.564 2.721 -8.308 1.00 0.00 H new ATOM 0 HG12 VAL A 591 2.671 1.260 -7.823 1.00 0.00 H new ATOM 0 HG13 VAL A 591 2.271 2.080 -9.350 1.00 0.00 H new ATOM 0 HG21 VAL A 591 2.505 4.925 -8.193 1.00 0.00 H new ATOM 0 HG22 VAL A 591 1.162 4.399 -9.235 1.00 0.00 H new ATOM 0 HG23 VAL A 591 0.825 5.094 -7.632 1.00 0.00 H new ATOM 1326 N GLY A 592 0.031 0.013 -7.368 1.00 0.00 N ATOM 1327 CA GLY A 592 -0.189 -1.189 -6.616 1.00 0.00 C ATOM 1328 C GLY A 592 -1.630 -1.626 -6.717 1.00 0.00 C ATOM 1329 O GLY A 592 -2.325 -1.288 -7.675 1.00 0.00 O ATOM 0 H GLY A 592 -0.023 -0.100 -8.380 1.00 0.00 H new ATOM 0 HA2 GLY A 592 0.463 -1.980 -6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 592 0.073 -1.023 -5.571 1.00 0.00 H new ATOM 1333 N ASP A 593 -2.087 -2.347 -5.719 1.00 0.00 N ATOM 1334 CA ASP A 593 -3.437 -2.872 -5.716 1.00 0.00 C ATOM 1335 C ASP A 593 -4.275 -2.228 -4.620 1.00 0.00 C ATOM 1336 O ASP A 593 -3.810 -2.015 -3.503 1.00 0.00 O ATOM 1337 CB ASP A 593 -3.417 -4.392 -5.552 1.00 0.00 C ATOM 1338 CG ASP A 593 -2.769 -5.088 -6.733 1.00 0.00 C ATOM 1339 OD1 ASP A 593 -1.524 -5.179 -6.767 1.00 0.00 O ATOM 1340 OD2 ASP A 593 -3.501 -5.538 -7.642 1.00 0.00 O ATOM 0 H ASP A 593 -1.540 -2.586 -4.892 1.00 0.00 H new ATOM 0 HA ASP A 593 -3.896 -2.629 -6.675 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -2.878 -4.650 -4.640 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -4.437 -4.756 -5.433 1.00 0.00 H new ATOM 1345 N PHE A 594 -5.500 -1.920 -4.976 1.00 0.00 N ATOM 1346 CA PHE A 594 -6.461 -1.293 -4.063 1.00 0.00 C ATOM 1347 C PHE A 594 -7.660 -2.193 -3.823 1.00 0.00 C ATOM 1348 O PHE A 594 -8.227 -2.741 -4.768 1.00 0.00 O ATOM 1349 CB PHE A 594 -6.948 0.045 -4.617 1.00 0.00 C ATOM 1350 CG PHE A 594 -6.112 1.227 -4.220 1.00 0.00 C ATOM 1351 CD1 PHE A 594 -4.914 1.497 -4.854 1.00 0.00 C ATOM 1352 CD2 PHE A 594 -6.539 2.078 -3.213 1.00 0.00 C ATOM 1353 CE1 PHE A 594 -4.156 2.592 -4.492 1.00 0.00 C ATOM 1354 CE2 PHE A 594 -5.786 3.177 -2.848 1.00 0.00 C ATOM 1355 CZ PHE A 594 -4.593 3.434 -3.488 1.00 0.00 C ATOM 0 H PHE A 594 -5.872 -2.093 -5.910 1.00 0.00 H new ATOM 0 HA PHE A 594 -5.943 -1.128 -3.118 1.00 0.00 H new ATOM 0 HB2 PHE A 594 -6.975 -0.015 -5.705 1.00 0.00 H new ATOM 0 HB3 PHE A 594 -7.972 0.211 -4.281 1.00 0.00 H new ATOM 0 HD1 PHE A 594 -4.567 0.844 -5.641 1.00 0.00 H new ATOM 0 HD2 PHE A 594 -7.472 1.879 -2.707 1.00 0.00 H new ATOM 0 HE1 PHE A 594 -3.221 2.791 -4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 594 -6.131 3.833 -2.063 1.00 0.00 H new ATOM 0 HZ PHE A 594 -4.001 4.292 -3.205 1.00 0.00 H new ATOM 1365 N PHE A 595 -8.040 -2.355 -2.560 1.00 0.00 N ATOM 1366 CA PHE A 595 -9.206 -3.151 -2.212 1.00 0.00 C ATOM 1367 C PHE A 595 -10.115 -2.378 -1.263 1.00 0.00 C ATOM 1368 O PHE A 595 -9.658 -1.527 -0.500 1.00 0.00 O ATOM 1369 CB PHE A 595 -8.770 -4.463 -1.546 1.00 0.00 C ATOM 1370 CG PHE A 595 -7.638 -5.145 -2.258 1.00 0.00 C ATOM 1371 CD1 PHE A 595 -6.327 -4.825 -1.950 1.00 0.00 C ATOM 1372 CD2 PHE A 595 -7.881 -6.086 -3.244 1.00 0.00 C ATOM 1373 CE1 PHE A 595 -5.281 -5.427 -2.610 1.00 0.00 C ATOM 1374 CE2 PHE A 595 -6.833 -6.697 -3.906 1.00 0.00 C ATOM 1375 CZ PHE A 595 -5.531 -6.363 -3.588 1.00 0.00 C ATOM 0 H PHE A 595 -7.556 -1.944 -1.762 1.00 0.00 H new ATOM 0 HA PHE A 595 -9.754 -3.374 -3.127 1.00 0.00 H new ATOM 0 HB2 PHE A 595 -8.472 -4.258 -0.518 1.00 0.00 H new ATOM 0 HB3 PHE A 595 -9.623 -5.141 -1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 595 -6.123 -4.094 -1.182 1.00 0.00 H new ATOM 0 HD2 PHE A 595 -8.898 -6.345 -3.498 1.00 0.00 H new ATOM 0 HE1 PHE A 595 -4.263 -5.165 -2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 595 -7.032 -7.434 -4.670 1.00 0.00 H new ATOM 0 HZ PHE A 595 -4.710 -6.836 -4.106 1.00 0.00 H new ATOM 1385 N GLU A 596 -11.393 -2.695 -1.315 1.00 0.00 N ATOM 1386 CA GLU A 596 -12.374 -2.070 -0.443 1.00 0.00 C ATOM 1387 C GLU A 596 -13.303 -3.133 0.121 1.00 0.00 C ATOM 1388 O GLU A 596 -13.876 -3.920 -0.637 1.00 0.00 O ATOM 1389 CB GLU A 596 -13.182 -1.029 -1.221 1.00 0.00 C ATOM 1390 CG GLU A 596 -14.315 -0.411 -0.416 1.00 0.00 C ATOM 1391 CD GLU A 596 -15.163 0.546 -1.224 1.00 0.00 C ATOM 1392 OE1 GLU A 596 -16.014 0.079 -2.011 1.00 0.00 O ATOM 1393 OE2 GLU A 596 -14.992 1.773 -1.079 1.00 0.00 O ATOM 0 H GLU A 596 -11.781 -3.387 -1.956 1.00 0.00 H new ATOM 0 HA GLU A 596 -11.858 -1.571 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 596 -12.512 -0.237 -1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 596 -13.595 -1.496 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 596 -14.949 -1.206 -0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 596 -13.898 0.117 0.441 1.00 0.00 H new ATOM 1400 N GLU A 597 -13.449 -3.177 1.440 1.00 0.00 N ATOM 1401 CA GLU A 597 -14.288 -4.168 2.087 1.00 0.00 C ATOM 1402 C GLU A 597 -15.753 -3.801 1.894 1.00 0.00 C ATOM 1403 O GLU A 597 -16.202 -2.721 2.289 1.00 0.00 O ATOM 1404 CB GLU A 597 -13.943 -4.256 3.577 1.00 0.00 C ATOM 1405 CG GLU A 597 -14.881 -5.141 4.382 1.00 0.00 C ATOM 1406 CD GLU A 597 -14.404 -5.351 5.805 1.00 0.00 C ATOM 1407 OE1 GLU A 597 -14.642 -4.465 6.656 1.00 0.00 O ATOM 1408 OE2 GLU A 597 -13.793 -6.404 6.082 1.00 0.00 O ATOM 0 H GLU A 597 -12.992 -2.531 2.083 1.00 0.00 H new ATOM 0 HA GLU A 597 -14.109 -5.144 1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 597 -12.926 -4.634 3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 597 -13.955 -3.252 4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 597 -15.874 -4.692 4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 597 -14.976 -6.108 3.888 1.00 0.00 H new ATOM 1415 N ARG A 598 -16.486 -4.707 1.277 1.00 0.00 N ATOM 1416 CA ARG A 598 -17.853 -4.455 0.869 1.00 0.00 C ATOM 1417 C ARG A 598 -18.758 -5.589 1.325 1.00 0.00 C ATOM 1418 O ARG A 598 -18.287 -6.698 1.591 1.00 0.00 O ATOM 1419 CB ARG A 598 -17.896 -4.309 -0.660 1.00 0.00 C ATOM 1420 CG ARG A 598 -19.294 -4.208 -1.247 1.00 0.00 C ATOM 1421 CD ARG A 598 -19.261 -4.136 -2.761 1.00 0.00 C ATOM 1422 NE ARG A 598 -20.603 -4.120 -3.333 1.00 0.00 N ATOM 1423 CZ ARG A 598 -20.872 -3.754 -4.584 1.00 0.00 C ATOM 1424 NH1 ARG A 598 -19.895 -3.349 -5.385 1.00 0.00 N ATOM 1425 NH2 ARG A 598 -22.119 -3.787 -5.032 1.00 0.00 N ATOM 0 H ARG A 598 -16.149 -5.641 1.044 1.00 0.00 H new ATOM 0 HA ARG A 598 -18.211 -3.535 1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 598 -17.332 -3.420 -0.943 1.00 0.00 H new ATOM 0 HB3 ARG A 598 -17.389 -5.164 -1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 598 -19.883 -5.071 -0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 598 -19.792 -3.323 -0.851 1.00 0.00 H new ATOM 0 HD2 ARG A 598 -18.724 -3.240 -3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 598 -18.709 -4.990 -3.153 1.00 0.00 H new ATOM 0 HE ARG A 598 -21.381 -4.406 -2.739 1.00 0.00 H new ATOM 0 HH11 ARG A 598 -18.935 -3.318 -5.043 1.00 0.00 H new ATOM 0 HH12 ARG A 598 -20.104 -3.069 -6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 598 -22.874 -4.093 -4.418 1.00 0.00 H new ATOM 0 HH22 ARG A 598 -22.324 -3.506 -5.991 1.00 0.00 H new ATOM 1439 N ASP A 599 -20.053 -5.320 1.408 1.00 0.00 N ATOM 1440 CA ASP A 599 -21.034 -6.335 1.728 1.00 0.00 C ATOM 1441 C ASP A 599 -21.632 -6.934 0.471 1.00 0.00 C ATOM 1442 O ASP A 599 -21.969 -6.230 -0.480 1.00 0.00 O ATOM 1443 CB ASP A 599 -22.142 -5.743 2.605 1.00 0.00 C ATOM 1444 CG ASP A 599 -22.902 -4.623 1.916 1.00 0.00 C ATOM 1445 OD1 ASP A 599 -22.357 -3.498 1.807 1.00 0.00 O ATOM 1446 OD2 ASP A 599 -24.050 -4.859 1.483 1.00 0.00 O ATOM 0 H ASP A 599 -20.448 -4.392 1.255 1.00 0.00 H new ATOM 0 HA ASP A 599 -20.529 -7.130 2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 599 -22.840 -6.533 2.883 1.00 0.00 H new ATOM 0 HB3 ASP A 599 -21.705 -5.365 3.529 1.00 0.00 H new ATOM 1451 N THR A 600 -21.726 -8.244 0.474 1.00 0.00 N ATOM 1452 CA THR A 600 -22.306 -8.985 -0.625 1.00 0.00 C ATOM 1453 C THR A 600 -23.356 -9.934 -0.078 1.00 0.00 C ATOM 1454 O THR A 600 -23.403 -10.176 1.129 1.00 0.00 O ATOM 1455 CB THR A 600 -21.218 -9.787 -1.366 1.00 0.00 C ATOM 1456 OG1 THR A 600 -20.824 -10.914 -0.580 1.00 0.00 O ATOM 1457 CG2 THR A 600 -20.004 -8.918 -1.619 1.00 0.00 C ATOM 0 H THR A 600 -21.401 -8.830 1.243 1.00 0.00 H new ATOM 0 HA THR A 600 -22.762 -8.288 -1.328 1.00 0.00 H new ATOM 0 HB THR A 600 -21.628 -10.124 -2.318 1.00 0.00 H new ATOM 0 HG1 THR A 600 -20.303 -10.609 0.192 1.00 0.00 H new ATOM 0 HG21 THR A 600 -19.244 -9.498 -2.143 1.00 0.00 H new ATOM 0 HG22 THR A 600 -20.291 -8.061 -2.228 1.00 0.00 H new ATOM 0 HG23 THR A 600 -19.602 -8.569 -0.668 1.00 0.00 H new ATOM 1465 N PRO A 601 -24.221 -10.466 -0.941 1.00 0.00 N ATOM 1466 CA PRO A 601 -25.232 -11.446 -0.543 1.00 0.00 C ATOM 1467 C PRO A 601 -24.618 -12.718 0.050 1.00 0.00 C ATOM 1468 O PRO A 601 -25.309 -13.509 0.692 1.00 0.00 O ATOM 1469 CB PRO A 601 -25.972 -11.750 -1.850 1.00 0.00 C ATOM 1470 CG PRO A 601 -25.054 -11.301 -2.932 1.00 0.00 C ATOM 1471 CD PRO A 601 -24.312 -10.131 -2.368 1.00 0.00 C ATOM 0 HA PRO A 601 -25.882 -11.063 0.244 1.00 0.00 H new ATOM 0 HB2 PRO A 601 -26.194 -12.813 -1.938 1.00 0.00 H new ATOM 0 HB3 PRO A 601 -26.924 -11.220 -1.896 1.00 0.00 H new ATOM 0 HG2 PRO A 601 -24.369 -12.098 -3.221 1.00 0.00 H new ATOM 0 HG3 PRO A 601 -25.610 -11.019 -3.826 1.00 0.00 H new ATOM 0 HD2 PRO A 601 -23.327 -10.019 -2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 601 -24.847 -9.195 -2.531 1.00 0.00 H new ATOM 1479 N GLU A 602 -23.317 -12.908 -0.158 1.00 0.00 N ATOM 1480 CA GLU A 602 -22.619 -14.044 0.427 1.00 0.00 C ATOM 1481 C GLU A 602 -21.869 -13.627 1.694 1.00 0.00 C ATOM 1482 O GLU A 602 -21.394 -14.471 2.453 1.00 0.00 O ATOM 1483 CB GLU A 602 -21.655 -14.670 -0.588 1.00 0.00 C ATOM 1484 CG GLU A 602 -20.351 -13.918 -0.762 1.00 0.00 C ATOM 1485 CD GLU A 602 -19.382 -14.641 -1.673 1.00 0.00 C ATOM 1486 OE1 GLU A 602 -18.729 -15.600 -1.209 1.00 0.00 O ATOM 1487 OE2 GLU A 602 -19.258 -14.254 -2.854 1.00 0.00 O ATOM 0 H GLU A 602 -22.731 -12.294 -0.723 1.00 0.00 H new ATOM 0 HA GLU A 602 -23.362 -14.793 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 602 -21.433 -15.691 -0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 602 -22.155 -14.733 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 602 -20.558 -12.928 -1.169 1.00 0.00 H new ATOM 0 HG3 GLU A 602 -19.887 -13.771 0.213 1.00 0.00 H new ATOM 1494 N GLY A 603 -21.777 -12.323 1.918 1.00 0.00 N ATOM 1495 CA GLY A 603 -21.086 -11.842 3.089 1.00 0.00 C ATOM 1496 C GLY A 603 -20.096 -10.742 2.804 1.00 0.00 C ATOM 1497 O GLY A 603 -20.150 -10.088 1.765 1.00 0.00 O ATOM 0 H GLY A 603 -22.166 -11.599 1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 603 -21.820 -11.480 3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 603 -20.563 -12.675 3.559 1.00 0.00 H new ATOM 1501 N LEU A 604 -19.199 -10.536 3.744 1.00 0.00 N ATOM 1502 CA LEU A 604 -18.161 -9.531 3.610 1.00 0.00 C ATOM 1503 C LEU A 604 -16.961 -10.094 2.876 1.00 0.00 C ATOM 1504 O LEU A 604 -16.379 -11.104 3.272 1.00 0.00 O ATOM 1505 CB LEU A 604 -17.737 -9.000 4.978 1.00 0.00 C ATOM 1506 CG LEU A 604 -18.782 -8.139 5.682 1.00 0.00 C ATOM 1507 CD1 LEU A 604 -18.396 -7.909 7.136 1.00 0.00 C ATOM 1508 CD2 LEU A 604 -18.950 -6.808 4.964 1.00 0.00 C ATOM 0 H LEU A 604 -19.167 -11.057 4.620 1.00 0.00 H new ATOM 0 HA LEU A 604 -18.570 -8.704 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 604 -17.491 -9.846 5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 604 -16.825 -8.415 4.858 1.00 0.00 H new ATOM 0 HG LEU A 604 -19.734 -8.670 5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 604 -19.154 -7.293 7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 604 -18.325 -8.868 7.650 1.00 0.00 H new ATOM 0 HD13 LEU A 604 -17.433 -7.401 7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 604 -19.699 -6.208 5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 604 -17.999 -6.275 4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 604 -19.272 -6.986 3.938 1.00 0.00 H new ATOM 1520 N GLN A 605 -16.625 -9.443 1.788 1.00 0.00 N ATOM 1521 CA GLN A 605 -15.447 -9.808 1.018 1.00 0.00 C ATOM 1522 C GLN A 605 -14.748 -8.539 0.577 1.00 0.00 C ATOM 1523 O GLN A 605 -15.384 -7.488 0.453 1.00 0.00 O ATOM 1524 CB GLN A 605 -15.794 -10.678 -0.180 1.00 0.00 C ATOM 1525 CG GLN A 605 -16.676 -9.995 -1.197 1.00 0.00 C ATOM 1526 CD GLN A 605 -17.246 -10.986 -2.173 1.00 0.00 C ATOM 1527 OE1 GLN A 605 -16.687 -11.230 -3.241 1.00 0.00 O ATOM 1528 NE2 GLN A 605 -18.348 -11.589 -1.787 1.00 0.00 N ATOM 0 H GLN A 605 -17.149 -8.654 1.410 1.00 0.00 H new ATOM 0 HA GLN A 605 -14.785 -10.401 1.649 1.00 0.00 H new ATOM 0 HB2 GLN A 605 -14.871 -10.993 -0.667 1.00 0.00 H new ATOM 0 HB3 GLN A 605 -16.293 -11.581 0.172 1.00 0.00 H new ATOM 0 HG2 GLN A 605 -17.487 -9.474 -0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 605 -16.100 -9.241 -1.734 1.00 0.00 H new ATOM 0 HE21 GLN A 605 -18.773 -11.350 -0.891 1.00 0.00 H new ATOM 0 HE22 GLN A 605 -18.778 -12.296 -2.383 1.00 0.00 H new ATOM 1537 N TRP A 606 -13.450 -8.614 0.358 1.00 0.00 N ATOM 1538 CA TRP A 606 -12.683 -7.443 -0.001 1.00 0.00 C ATOM 1539 C TRP A 606 -12.657 -7.331 -1.511 1.00 0.00 C ATOM 1540 O TRP A 606 -12.027 -8.147 -2.188 1.00 0.00 O ATOM 1541 CB TRP A 606 -11.261 -7.538 0.549 1.00 0.00 C ATOM 1542 CG TRP A 606 -11.159 -7.176 1.995 1.00 0.00 C ATOM 1543 CD1 TRP A 606 -11.379 -7.984 3.071 1.00 0.00 C ATOM 1544 CD2 TRP A 606 -10.811 -5.897 2.517 1.00 0.00 C ATOM 1545 NE1 TRP A 606 -11.185 -7.278 4.235 1.00 0.00 N ATOM 1546 CE2 TRP A 606 -10.838 -5.990 3.919 1.00 0.00 C ATOM 1547 CE3 TRP A 606 -10.481 -4.680 1.928 1.00 0.00 C ATOM 1548 CZ2 TRP A 606 -10.544 -4.904 4.742 1.00 0.00 C ATOM 1549 CZ3 TRP A 606 -10.193 -3.609 2.741 1.00 0.00 C ATOM 1550 CH2 TRP A 606 -10.225 -3.721 4.132 1.00 0.00 C ATOM 0 H TRP A 606 -12.907 -9.475 0.423 1.00 0.00 H new ATOM 0 HA TRP A 606 -13.147 -6.556 0.431 1.00 0.00 H new ATOM 0 HB2 TRP A 606 -10.893 -8.554 0.410 1.00 0.00 H new ATOM 0 HB3 TRP A 606 -10.611 -6.881 -0.029 1.00 0.00 H new ATOM 0 HD1 TRP A 606 -11.664 -9.024 3.017 1.00 0.00 H new ATOM 0 HE1 TRP A 606 -11.283 -7.652 5.179 1.00 0.00 H new ATOM 0 HE3 TRP A 606 -10.452 -4.579 0.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 606 -10.567 -4.993 5.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 606 -9.936 -2.660 2.293 1.00 0.00 H new ATOM 0 HH2 TRP A 606 -9.994 -2.858 4.738 1.00 0.00 H new ATOM 1561 N VAL A 607 -13.338 -6.334 -2.040 1.00 0.00 N ATOM 1562 CA VAL A 607 -13.466 -6.197 -3.475 1.00 0.00 C ATOM 1563 C VAL A 607 -12.380 -5.284 -4.010 1.00 0.00 C ATOM 1564 O VAL A 607 -12.151 -4.196 -3.484 1.00 0.00 O ATOM 1565 CB VAL A 607 -14.851 -5.638 -3.869 1.00 0.00 C ATOM 1566 CG1 VAL A 607 -15.034 -5.661 -5.379 1.00 0.00 C ATOM 1567 CG2 VAL A 607 -15.964 -6.417 -3.180 1.00 0.00 C ATOM 0 H VAL A 607 -13.810 -5.609 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 607 -13.361 -7.190 -3.913 1.00 0.00 H new ATOM 0 HB VAL A 607 -14.904 -4.601 -3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 607 -16.016 -5.263 -5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 607 -14.263 -5.050 -5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 607 -14.954 -6.687 -5.740 1.00 0.00 H new ATOM 0 HG21 VAL A 607 -16.930 -6.006 -3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 607 -15.911 -7.465 -3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 607 -15.848 -6.338 -2.099 1.00 0.00 H new ATOM 1577 N GLN A 608 -11.703 -5.754 -5.038 1.00 0.00 N ATOM 1578 CA GLN A 608 -10.603 -5.028 -5.637 1.00 0.00 C ATOM 1579 C GLN A 608 -11.140 -3.850 -6.436 1.00 0.00 C ATOM 1580 O GLN A 608 -12.124 -3.971 -7.170 1.00 0.00 O ATOM 1581 CB GLN A 608 -9.791 -5.952 -6.538 1.00 0.00 C ATOM 1582 CG GLN A 608 -8.498 -5.328 -7.025 1.00 0.00 C ATOM 1583 CD GLN A 608 -7.642 -6.300 -7.800 1.00 0.00 C ATOM 1584 OE1 GLN A 608 -8.146 -7.188 -8.487 1.00 0.00 O ATOM 1585 NE2 GLN A 608 -6.338 -6.150 -7.679 1.00 0.00 N ATOM 0 H GLN A 608 -11.901 -6.651 -5.482 1.00 0.00 H new ATOM 0 HA GLN A 608 -9.951 -4.654 -4.848 1.00 0.00 H new ATOM 0 HB2 GLN A 608 -9.562 -6.869 -5.995 1.00 0.00 H new ATOM 0 HB3 GLN A 608 -10.397 -6.234 -7.399 1.00 0.00 H new ATOM 0 HG2 GLN A 608 -8.728 -4.469 -7.655 1.00 0.00 H new ATOM 0 HG3 GLN A 608 -7.934 -4.954 -6.170 1.00 0.00 H new ATOM 0 HE21 GLN A 608 -5.963 -5.400 -7.099 1.00 0.00 H new ATOM 0 HE22 GLN A 608 -5.704 -6.784 -8.166 1.00 0.00 H new ATOM 1594 N LEU A 609 -10.500 -2.707 -6.274 1.00 0.00 N ATOM 1595 CA LEU A 609 -10.914 -1.489 -6.940 1.00 0.00 C ATOM 1596 C LEU A 609 -10.086 -1.327 -8.201 1.00 0.00 C ATOM 1597 O LEU A 609 -8.905 -1.676 -8.205 1.00 0.00 O ATOM 1598 CB LEU A 609 -10.672 -0.286 -6.021 1.00 0.00 C ATOM 1599 CG LEU A 609 -11.396 -0.327 -4.675 1.00 0.00 C ATOM 1600 CD1 LEU A 609 -10.755 0.648 -3.699 1.00 0.00 C ATOM 1601 CD2 LEU A 609 -12.869 0.000 -4.859 1.00 0.00 C ATOM 0 H LEU A 609 -9.680 -2.598 -5.678 1.00 0.00 H new ATOM 0 HA LEU A 609 -11.975 -1.543 -7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -9.601 -0.203 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -10.975 0.618 -6.549 1.00 0.00 H new ATOM 0 HG LEU A 609 -11.311 -1.333 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 609 -11.281 0.607 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 609 -9.710 0.378 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -10.814 1.659 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 609 -13.372 -0.033 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -12.970 0.997 -5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -13.323 -0.730 -5.529 1.00 0.00 H new ATOM 1613 N SER A 610 -10.674 -0.824 -9.272 1.00 0.00 N ATOM 1614 CA SER A 610 -9.936 -0.511 -10.476 1.00 0.00 C ATOM 1615 C SER A 610 -9.336 0.874 -10.335 1.00 0.00 C ATOM 1616 O SER A 610 -9.729 1.627 -9.441 1.00 0.00 O ATOM 1617 CB SER A 610 -10.861 -0.581 -11.694 1.00 0.00 C ATOM 1618 OG SER A 610 -11.479 -1.855 -11.794 1.00 0.00 O ATOM 0 H SER A 610 -11.672 -0.623 -9.329 1.00 0.00 H new ATOM 0 HA SER A 610 -9.136 -1.237 -10.621 1.00 0.00 H new ATOM 0 HB2 SER A 610 -11.625 0.192 -11.619 1.00 0.00 H new ATOM 0 HB3 SER A 610 -10.290 -0.378 -12.600 1.00 0.00 H new ATOM 0 HG SER A 610 -12.066 -1.873 -12.579 1.00 0.00 H new ATOM 1624 N ALA A 611 -8.393 1.211 -11.201 1.00 0.00 N ATOM 1625 CA ALA A 611 -7.717 2.497 -11.138 1.00 0.00 C ATOM 1626 C ALA A 611 -8.709 3.656 -11.136 1.00 0.00 C ATOM 1627 O ALA A 611 -8.441 4.701 -10.553 1.00 0.00 O ATOM 1628 CB ALA A 611 -6.738 2.635 -12.292 1.00 0.00 C ATOM 0 H ALA A 611 -8.077 0.607 -11.960 1.00 0.00 H new ATOM 0 HA ALA A 611 -7.165 2.537 -10.199 1.00 0.00 H new ATOM 0 HB1 ALA A 611 -6.239 3.602 -12.232 1.00 0.00 H new ATOM 0 HB2 ALA A 611 -5.995 1.839 -12.236 1.00 0.00 H new ATOM 0 HB3 ALA A 611 -7.277 2.562 -13.237 1.00 0.00 H new ATOM 1634 N GLU A 612 -9.843 3.473 -11.806 1.00 0.00 N ATOM 1635 CA GLU A 612 -10.875 4.504 -11.867 1.00 0.00 C ATOM 1636 C GLU A 612 -11.526 4.693 -10.493 1.00 0.00 C ATOM 1637 O GLU A 612 -11.876 5.807 -10.106 1.00 0.00 O ATOM 1638 CB GLU A 612 -11.966 4.137 -12.882 1.00 0.00 C ATOM 1639 CG GLU A 612 -11.447 3.707 -14.246 1.00 0.00 C ATOM 1640 CD GLU A 612 -11.081 2.237 -14.303 1.00 0.00 C ATOM 1641 OE1 GLU A 612 -9.919 1.893 -14.004 1.00 0.00 O ATOM 1642 OE2 GLU A 612 -11.957 1.419 -14.649 1.00 0.00 O ATOM 0 H GLU A 612 -10.071 2.619 -12.315 1.00 0.00 H new ATOM 0 HA GLU A 612 -10.392 5.430 -12.179 1.00 0.00 H new ATOM 0 HB2 GLU A 612 -12.572 3.331 -12.468 1.00 0.00 H new ATOM 0 HB3 GLU A 612 -12.625 4.995 -13.013 1.00 0.00 H new ATOM 0 HG2 GLU A 612 -12.206 3.917 -15.000 1.00 0.00 H new ATOM 0 HG3 GLU A 612 -10.571 4.304 -14.500 1.00 0.00 H new ATOM 1649 N GLU A 613 -11.681 3.593 -9.759 1.00 0.00 N ATOM 1650 CA GLU A 613 -12.347 3.612 -8.458 1.00 0.00 C ATOM 1651 C GLU A 613 -11.398 4.103 -7.374 1.00 0.00 C ATOM 1652 O GLU A 613 -11.826 4.689 -6.377 1.00 0.00 O ATOM 1653 CB GLU A 613 -12.833 2.211 -8.095 1.00 0.00 C ATOM 1654 CG GLU A 613 -13.760 1.590 -9.125 1.00 0.00 C ATOM 1655 CD GLU A 613 -14.127 0.163 -8.778 1.00 0.00 C ATOM 1656 OE1 GLU A 613 -13.357 -0.754 -9.133 1.00 0.00 O ATOM 1657 OE2 GLU A 613 -15.179 -0.049 -8.143 1.00 0.00 O ATOM 0 H GLU A 613 -11.352 2.671 -10.046 1.00 0.00 H new ATOM 0 HA GLU A 613 -13.197 4.291 -8.525 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -11.968 1.561 -7.962 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -13.350 2.254 -7.136 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -14.668 2.188 -9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -13.280 1.612 -10.103 1.00 0.00 H new ATOM 1664 N ILE A 614 -10.113 3.842 -7.588 1.00 0.00 N ATOM 1665 CA ILE A 614 -9.059 4.186 -6.634 1.00 0.00 C ATOM 1666 C ILE A 614 -9.176 5.621 -6.087 1.00 0.00 C ATOM 1667 O ILE A 614 -9.325 5.801 -4.878 1.00 0.00 O ATOM 1668 CB ILE A 614 -7.665 3.987 -7.276 1.00 0.00 C ATOM 1669 CG1 ILE A 614 -7.358 2.496 -7.442 1.00 0.00 C ATOM 1670 CG2 ILE A 614 -6.587 4.681 -6.461 1.00 0.00 C ATOM 1671 CD1 ILE A 614 -5.981 2.213 -8.009 1.00 0.00 C ATOM 0 H ILE A 614 -9.769 3.384 -8.432 1.00 0.00 H new ATOM 0 HA ILE A 614 -9.183 3.511 -5.787 1.00 0.00 H new ATOM 0 HB ILE A 614 -7.676 4.443 -8.266 1.00 0.00 H new ATOM 0 HG12 ILE A 614 -7.449 2.006 -6.473 1.00 0.00 H new ATOM 0 HG13 ILE A 614 -8.108 2.051 -8.096 1.00 0.00 H new ATOM 0 HG21 ILE A 614 -5.617 4.526 -6.934 1.00 0.00 H new ATOM 0 HG22 ILE A 614 -6.800 5.749 -6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 614 -6.570 4.267 -5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 614 -5.838 1.136 -8.097 1.00 0.00 H new ATOM 0 HD12 ILE A 614 -5.891 2.672 -8.993 1.00 0.00 H new ATOM 0 HD13 ILE A 614 -5.222 2.627 -7.345 1.00 0.00 H new ATOM 1683 N PRO A 615 -9.150 6.659 -6.951 1.00 0.00 N ATOM 1684 CA PRO A 615 -9.169 8.055 -6.502 1.00 0.00 C ATOM 1685 C PRO A 615 -10.437 8.413 -5.743 1.00 0.00 C ATOM 1686 O PRO A 615 -10.403 9.231 -4.828 1.00 0.00 O ATOM 1687 CB PRO A 615 -9.077 8.865 -7.796 1.00 0.00 C ATOM 1688 CG PRO A 615 -9.508 7.926 -8.863 1.00 0.00 C ATOM 1689 CD PRO A 615 -9.082 6.568 -8.415 1.00 0.00 C ATOM 0 HA PRO A 615 -8.356 8.255 -5.804 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -9.721 9.744 -7.759 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -8.061 9.221 -7.969 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -10.588 7.968 -9.007 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -9.049 8.183 -9.818 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -9.742 5.791 -8.801 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -8.075 6.329 -8.757 1.00 0.00 H new ATOM 1697 N SER A 616 -11.547 7.777 -6.101 1.00 0.00 N ATOM 1698 CA SER A 616 -12.818 8.046 -5.444 1.00 0.00 C ATOM 1699 C SER A 616 -12.758 7.574 -3.994 1.00 0.00 C ATOM 1700 O SER A 616 -13.270 8.232 -3.089 1.00 0.00 O ATOM 1701 CB SER A 616 -13.963 7.354 -6.192 1.00 0.00 C ATOM 1702 OG SER A 616 -15.221 7.681 -5.628 1.00 0.00 O ATOM 0 H SER A 616 -11.591 7.075 -6.839 1.00 0.00 H new ATOM 0 HA SER A 616 -13.006 9.120 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 616 -13.945 7.649 -7.241 1.00 0.00 H new ATOM 0 HB3 SER A 616 -13.819 6.274 -6.162 1.00 0.00 H new ATOM 0 HG SER A 616 -15.931 7.226 -6.127 1.00 0.00 H new ATOM 1708 N ARG A 617 -12.088 6.448 -3.775 1.00 0.00 N ATOM 1709 CA ARG A 617 -11.874 5.930 -2.433 1.00 0.00 C ATOM 1710 C ARG A 617 -10.865 6.788 -1.691 1.00 0.00 C ATOM 1711 O ARG A 617 -11.023 7.063 -0.500 1.00 0.00 O ATOM 1712 CB ARG A 617 -11.400 4.481 -2.486 1.00 0.00 C ATOM 1713 CG ARG A 617 -12.531 3.467 -2.459 1.00 0.00 C ATOM 1714 CD ARG A 617 -13.496 3.647 -3.619 1.00 0.00 C ATOM 1715 NE ARG A 617 -14.600 2.699 -3.535 1.00 0.00 N ATOM 1716 CZ ARG A 617 -15.469 2.461 -4.511 1.00 0.00 C ATOM 1717 NH1 ARG A 617 -15.417 3.155 -5.641 1.00 0.00 N ATOM 1718 NH2 ARG A 617 -16.401 1.533 -4.344 1.00 0.00 N ATOM 0 H ARG A 617 -11.683 5.875 -4.515 1.00 0.00 H new ATOM 0 HA ARG A 617 -12.822 5.963 -1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 617 -10.813 4.333 -3.392 1.00 0.00 H new ATOM 0 HB3 ARG A 617 -10.736 4.294 -1.642 1.00 0.00 H new ATOM 0 HG2 ARG A 617 -12.114 2.460 -2.489 1.00 0.00 H new ATOM 0 HG3 ARG A 617 -13.075 3.558 -1.519 1.00 0.00 H new ATOM 0 HD2 ARG A 617 -13.886 4.665 -3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 617 -12.966 3.510 -4.562 1.00 0.00 H new ATOM 0 HE ARG A 617 -14.713 2.181 -2.664 1.00 0.00 H new ATOM 0 HH11 ARG A 617 -14.707 3.876 -5.764 1.00 0.00 H new ATOM 0 HH12 ARG A 617 -16.087 2.967 -6.386 1.00 0.00 H new ATOM 0 HH21 ARG A 617 -16.447 1.008 -3.471 1.00 0.00 H new ATOM 0 HH22 ARG A 617 -17.072 1.344 -5.089 1.00 0.00 H new ATOM 1732 N ILE A 618 -9.833 7.210 -2.411 1.00 0.00 N ATOM 1733 CA ILE A 618 -8.812 8.083 -1.856 1.00 0.00 C ATOM 1734 C ILE A 618 -9.430 9.367 -1.314 1.00 0.00 C ATOM 1735 O ILE A 618 -9.031 9.855 -0.269 1.00 0.00 O ATOM 1736 CB ILE A 618 -7.741 8.439 -2.909 1.00 0.00 C ATOM 1737 CG1 ILE A 618 -7.000 7.181 -3.366 1.00 0.00 C ATOM 1738 CG2 ILE A 618 -6.763 9.461 -2.353 1.00 0.00 C ATOM 1739 CD1 ILE A 618 -5.926 7.449 -4.400 1.00 0.00 C ATOM 0 H ILE A 618 -9.683 6.958 -3.388 1.00 0.00 H new ATOM 0 HA ILE A 618 -8.335 7.539 -1.040 1.00 0.00 H new ATOM 0 HB ILE A 618 -8.241 8.878 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 618 -6.545 6.702 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 618 -7.721 6.475 -3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 618 -6.016 9.699 -3.110 1.00 0.00 H new ATOM 0 HG22 ILE A 618 -7.302 10.368 -2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 618 -6.269 9.050 -1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 618 -5.444 6.511 -4.676 1.00 0.00 H new ATOM 0 HD12 ILE A 618 -6.377 7.899 -5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 618 -5.183 8.130 -3.985 1.00 0.00 H new ATOM 1751 N GLN A 619 -10.419 9.894 -2.020 1.00 0.00 N ATOM 1752 CA GLN A 619 -11.079 11.130 -1.615 1.00 0.00 C ATOM 1753 C GLN A 619 -11.764 10.989 -0.260 1.00 0.00 C ATOM 1754 O GLN A 619 -11.824 11.944 0.511 1.00 0.00 O ATOM 1755 CB GLN A 619 -12.067 11.584 -2.681 1.00 0.00 C ATOM 1756 CG GLN A 619 -11.385 11.943 -3.988 1.00 0.00 C ATOM 1757 CD GLN A 619 -10.392 13.077 -3.838 1.00 0.00 C ATOM 1758 OE1 GLN A 619 -10.740 14.250 -3.969 1.00 0.00 O ATOM 1759 NE2 GLN A 619 -9.142 12.732 -3.569 1.00 0.00 N ATOM 0 H GLN A 619 -10.785 9.485 -2.880 1.00 0.00 H new ATOM 0 HA GLN A 619 -10.310 11.895 -1.509 1.00 0.00 H new ATOM 0 HB2 GLN A 619 -12.794 10.792 -2.860 1.00 0.00 H new ATOM 0 HB3 GLN A 619 -12.621 12.448 -2.314 1.00 0.00 H new ATOM 0 HG2 GLN A 619 -10.871 11.065 -4.378 1.00 0.00 H new ATOM 0 HG3 GLN A 619 -12.141 12.222 -4.722 1.00 0.00 H new ATOM 0 HE21 GLN A 619 -8.895 11.747 -3.468 1.00 0.00 H new ATOM 0 HE22 GLN A 619 -8.426 13.451 -3.463 1.00 0.00 H new ATOM 1768 N ALA A 620 -12.285 9.809 0.035 1.00 0.00 N ATOM 1769 CA ALA A 620 -12.920 9.575 1.323 1.00 0.00 C ATOM 1770 C ALA A 620 -11.871 9.403 2.421 1.00 0.00 C ATOM 1771 O ALA A 620 -11.969 10.004 3.490 1.00 0.00 O ATOM 1772 CB ALA A 620 -13.822 8.353 1.249 1.00 0.00 C ATOM 0 H ALA A 620 -12.282 9.005 -0.593 1.00 0.00 H new ATOM 0 HA ALA A 620 -13.529 10.444 1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 620 -14.292 8.188 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 620 -14.593 8.515 0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 620 -13.229 7.479 0.980 1.00 0.00 H new ATOM 1778 N ILE A 621 -10.844 8.615 2.134 1.00 0.00 N ATOM 1779 CA ILE A 621 -9.812 8.319 3.123 1.00 0.00 C ATOM 1780 C ILE A 621 -8.761 9.421 3.182 1.00 0.00 C ATOM 1781 O ILE A 621 -7.828 9.363 3.986 1.00 0.00 O ATOM 1782 CB ILE A 621 -9.115 6.977 2.834 1.00 0.00 C ATOM 1783 CG1 ILE A 621 -8.476 6.987 1.447 1.00 0.00 C ATOM 1784 CG2 ILE A 621 -10.104 5.832 2.949 1.00 0.00 C ATOM 1785 CD1 ILE A 621 -7.681 5.739 1.150 1.00 0.00 C ATOM 0 H ILE A 621 -10.702 8.169 1.228 1.00 0.00 H new ATOM 0 HA ILE A 621 -10.319 8.256 4.086 1.00 0.00 H new ATOM 0 HB ILE A 621 -8.327 6.835 3.574 1.00 0.00 H new ATOM 0 HG12 ILE A 621 -9.257 7.100 0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 621 -7.823 7.855 1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 621 -9.596 4.890 2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 621 -10.517 5.808 3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 621 -10.911 5.975 2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 621 -7.253 5.809 0.150 1.00 0.00 H new ATOM 0 HD12 ILE A 621 -6.879 5.636 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 621 -8.336 4.869 1.204 1.00 0.00 H new ATOM 1797 N THR A 622 -8.914 10.419 2.324 1.00 0.00 N ATOM 1798 CA THR A 622 -7.983 11.534 2.274 1.00 0.00 C ATOM 1799 C THR A 622 -8.231 12.471 3.453 1.00 0.00 C ATOM 1800 O THR A 622 -7.384 13.295 3.800 1.00 0.00 O ATOM 1801 CB THR A 622 -8.093 12.323 0.939 1.00 0.00 C ATOM 1802 OG1 THR A 622 -6.847 12.972 0.648 1.00 0.00 O ATOM 1803 CG2 THR A 622 -9.195 13.373 1.003 1.00 0.00 C ATOM 0 H THR A 622 -9.678 10.478 1.651 1.00 0.00 H new ATOM 0 HA THR A 622 -6.974 11.125 2.334 1.00 0.00 H new ATOM 0 HB THR A 622 -8.336 11.609 0.153 1.00 0.00 H new ATOM 0 HG1 THR A 622 -6.924 13.465 -0.195 1.00 0.00 H new ATOM 0 HG21 THR A 622 -9.245 13.906 0.054 1.00 0.00 H new ATOM 0 HG22 THR A 622 -10.151 12.886 1.196 1.00 0.00 H new ATOM 0 HG23 THR A 622 -8.979 14.079 1.805 1.00 0.00 H new ATOM 1811 N GLY A 623 -9.399 12.330 4.067 1.00 0.00 N ATOM 1812 CA GLY A 623 -9.750 13.162 5.193 1.00 0.00 C ATOM 1813 C GLY A 623 -11.214 13.531 5.192 1.00 0.00 C ATOM 1814 O GLY A 623 -11.559 14.712 5.157 1.00 0.00 O ATOM 0 H GLY A 623 -10.110 11.649 3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 623 -9.509 12.639 6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 623 -9.148 14.070 5.174 1.00 0.00 H new ATOM 1818 N SER A 624 -12.075 12.520 5.195 1.00 0.00 N ATOM 1819 CA SER A 624 -13.511 12.734 5.277 1.00 0.00 C ATOM 1820 C SER A 624 -13.859 13.477 6.563 1.00 0.00 C ATOM 1821 O SER A 624 -13.688 12.886 7.654 1.00 0.00 O ATOM 1822 CB SER A 624 -14.249 11.392 5.214 1.00 0.00 C ATOM 1823 OG SER A 624 -13.803 10.516 6.238 1.00 0.00 O ATOM 1824 OXT SER A 624 -14.281 14.651 6.482 1.00 0.00 O ATOM 0 H SER A 624 -11.799 11.539 5.141 1.00 0.00 H new ATOM 0 HA SER A 624 -13.827 13.343 4.430 1.00 0.00 H new ATOM 0 HB2 SER A 624 -15.322 11.558 5.315 1.00 0.00 H new ATOM 0 HB3 SER A 624 -14.088 10.930 4.240 1.00 0.00 H new ATOM 0 HG SER A 624 -13.724 11.011 7.080 1.00 0.00 H new TER 1830 SER A 624