USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 585 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 Single : A 537 SER OG : rot -21:sc= 0.288 USER MOD Single : A 539 LYS NZ :NH3+ -122:sc= -3.65! (180deg=-5.5!) USER MOD Single : A 540 ASN : amide:sc=-0.00185 X(o=-0.0019,f=0) USER MOD Single : A 544 SER OG : rot 180:sc= 0 USER MOD Single : A 545 TYR OH : rot -148:sc= -0.0178 USER MOD Single : A 548 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.7!) USER MOD Single : A 549 MET CE :methyl 140:sc= -0.7 (180deg=-2.42!) USER MOD Single : A 550 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.296) USER MOD Single : A 551 SER OG : rot 81:sc= 0.0639 USER MOD Single : A 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 563 SER OG : rot 113:sc= 1.38 USER MOD Single : A 567 LYS NZ :NH3+ -168:sc= 1.17 (180deg=0.754) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 573 LYS NZ :NH3+ -162:sc= -0.737 (180deg=-1.26) USER MOD Single : A 574 CYS SG : rot -121:sc= -3.17! USER MOD Single : A 575 GLN : amide:sc= -0.644 X(o=-0.64,f=-0.23) USER MOD Single : A 579 SER OG : rot -94:sc= 1.26 USER MOD Single : A 584 ASN : amide:sc= 0.286 X(o=0.29,f=0) USER MOD Single : A 585 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 589 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0485) USER MOD Single : A 594 HIS : no HD1:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : A 595 LYS NZ :NH3+ 149:sc= 0.311 (180deg=0) USER MOD Single : A 597 LYS NZ :NH3+ 150:sc= 1.28 (180deg=1.21) USER MOD Single : A 601 GLN : amide:sc= -0.0505 X(o=-0.051,f=-0.089) USER MOD Single : A 603 CYS SG : rot -66:sc= -1.93! USER MOD Single : A 604 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 608 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 537 -14.014 0.386 -9.103 1.00 0.00 N ATOM 2 CA SER A 537 -12.809 -0.475 -9.156 1.00 0.00 C ATOM 3 C SER A 537 -11.792 -0.076 -8.098 1.00 0.00 C ATOM 4 O SER A 537 -10.599 -0.348 -8.241 1.00 0.00 O ATOM 5 CB SER A 537 -12.170 -0.410 -10.540 1.00 0.00 C ATOM 6 OG SER A 537 -12.125 0.921 -11.035 1.00 0.00 O ATOM 0 HA SER A 537 -13.126 -1.498 -8.953 1.00 0.00 H new ATOM 0 HB2 SER A 537 -11.159 -0.816 -10.494 1.00 0.00 H new ATOM 0 HB3 SER A 537 -12.734 -1.037 -11.231 1.00 0.00 H new ATOM 0 HG SER A 537 -12.788 1.468 -10.564 1.00 0.00 H new ATOM 12 N ALA A 538 -12.263 0.554 -7.029 1.00 0.00 N ATOM 13 CA ALA A 538 -11.376 1.030 -5.983 1.00 0.00 C ATOM 14 C ALA A 538 -10.766 -0.132 -5.205 1.00 0.00 C ATOM 15 O ALA A 538 -9.678 -0.006 -4.650 1.00 0.00 O ATOM 16 CB ALA A 538 -12.112 1.980 -5.054 1.00 0.00 C ATOM 0 H ALA A 538 -13.252 0.745 -6.867 1.00 0.00 H new ATOM 0 HA ALA A 538 -10.558 1.575 -6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -11.432 2.327 -4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -12.479 2.834 -5.623 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -12.954 1.461 -4.595 1.00 0.00 H new ATOM 22 N LYS A 539 -11.454 -1.271 -5.179 1.00 0.00 N ATOM 23 CA LYS A 539 -10.928 -2.454 -4.502 1.00 0.00 C ATOM 24 C LYS A 539 -9.716 -2.951 -5.277 1.00 0.00 C ATOM 25 O LYS A 539 -8.642 -3.179 -4.717 1.00 0.00 O ATOM 26 CB LYS A 539 -12.010 -3.550 -4.410 1.00 0.00 C ATOM 27 CG LYS A 539 -11.679 -4.718 -3.479 1.00 0.00 C ATOM 28 CD LYS A 539 -10.588 -5.594 -4.053 1.00 0.00 C ATOM 29 CE LYS A 539 -10.430 -6.904 -3.303 1.00 0.00 C ATOM 30 NZ LYS A 539 -10.298 -6.721 -1.841 1.00 0.00 N ATOM 0 H LYS A 539 -12.368 -1.400 -5.614 1.00 0.00 H new ATOM 0 HA LYS A 539 -10.632 -2.201 -3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 539 -12.940 -3.092 -4.075 1.00 0.00 H new ATOM 0 HB3 LYS A 539 -12.191 -3.944 -5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 539 -11.365 -4.333 -2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 539 -12.575 -5.315 -3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 539 -10.810 -5.804 -5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 539 -9.643 -5.051 -4.030 1.00 0.00 H new ATOM 0 HE2 LYS A 539 -11.292 -7.540 -3.508 1.00 0.00 H new ATOM 0 HE3 LYS A 539 -9.551 -7.428 -3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 -9.402 -7.139 -1.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 -10.307 -5.706 -1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 -11.092 -7.189 -1.359 1.00 0.00 H new ATOM 44 N ASN A 540 -9.910 -3.083 -6.581 1.00 0.00 N ATOM 45 CA ASN A 540 -8.855 -3.495 -7.492 1.00 0.00 C ATOM 46 C ASN A 540 -7.712 -2.486 -7.486 1.00 0.00 C ATOM 47 O ASN A 540 -6.542 -2.865 -7.443 1.00 0.00 O ATOM 48 CB ASN A 540 -9.442 -3.669 -8.901 1.00 0.00 C ATOM 49 CG ASN A 540 -8.429 -3.490 -10.015 1.00 0.00 C ATOM 50 OD1 ASN A 540 -7.705 -4.419 -10.374 1.00 0.00 O ATOM 51 ND2 ASN A 540 -8.398 -2.296 -10.592 1.00 0.00 N ATOM 0 H ASN A 540 -10.805 -2.907 -7.037 1.00 0.00 H new ATOM 0 HA ASN A 540 -8.444 -4.450 -7.163 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -9.883 -4.663 -8.980 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -10.250 -2.950 -9.039 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -7.756 -2.120 -11.365 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -9.016 -1.554 -10.263 1.00 0.00 H new ATOM 58 N ALA A 541 -8.061 -1.202 -7.499 1.00 0.00 N ATOM 59 CA ALA A 541 -7.065 -0.137 -7.470 1.00 0.00 C ATOM 60 C ALA A 541 -6.248 -0.192 -6.189 1.00 0.00 C ATOM 61 O ALA A 541 -5.023 -0.182 -6.231 1.00 0.00 O ATOM 62 CB ALA A 541 -7.733 1.223 -7.606 1.00 0.00 C ATOM 0 H ALA A 541 -9.027 -0.875 -7.529 1.00 0.00 H new ATOM 0 HA ALA A 541 -6.392 -0.284 -8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -6.974 2.005 -7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -8.273 1.270 -8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -8.431 1.370 -6.782 1.00 0.00 H new ATOM 68 N LEU A 542 -6.934 -0.282 -5.058 1.00 0.00 N ATOM 69 CA LEU A 542 -6.280 -0.267 -3.756 1.00 0.00 C ATOM 70 C LEU A 542 -5.362 -1.456 -3.567 1.00 0.00 C ATOM 71 O LEU A 542 -4.215 -1.303 -3.146 1.00 0.00 O ATOM 72 CB LEU A 542 -7.323 -0.272 -2.645 1.00 0.00 C ATOM 73 CG LEU A 542 -7.359 0.984 -1.795 1.00 0.00 C ATOM 74 CD1 LEU A 542 -6.031 1.191 -1.087 1.00 0.00 C ATOM 75 CD2 LEU A 542 -7.673 2.173 -2.663 1.00 0.00 C ATOM 0 H LEU A 542 -7.950 -0.367 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 542 -5.680 0.642 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 542 -8.307 -0.419 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 542 -7.136 -1.127 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 542 -8.136 0.873 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 542 -6.078 2.097 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 542 -5.825 0.336 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 542 -5.236 1.289 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 542 -7.698 3.074 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 542 -6.905 2.277 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 542 -8.643 2.030 -3.139 1.00 0.00 H new ATOM 87 N GLU A 543 -5.864 -2.637 -3.880 1.00 0.00 N ATOM 88 CA GLU A 543 -5.124 -3.846 -3.638 1.00 0.00 C ATOM 89 C GLU A 543 -3.919 -3.911 -4.559 1.00 0.00 C ATOM 90 O GLU A 543 -2.821 -4.251 -4.130 1.00 0.00 O ATOM 91 CB GLU A 543 -6.023 -5.060 -3.828 1.00 0.00 C ATOM 92 CG GLU A 543 -5.569 -6.243 -3.005 1.00 0.00 C ATOM 93 CD GLU A 543 -6.282 -7.520 -3.380 1.00 0.00 C ATOM 94 OE1 GLU A 543 -7.410 -7.738 -2.895 1.00 0.00 O ATOM 95 OE2 GLU A 543 -5.717 -8.311 -4.165 1.00 0.00 O ATOM 0 H GLU A 543 -6.782 -2.777 -4.302 1.00 0.00 H new ATOM 0 HA GLU A 543 -4.768 -3.847 -2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -7.045 -4.799 -3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -6.038 -5.337 -4.882 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -4.495 -6.380 -3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -5.739 -6.033 -1.949 1.00 0.00 H new ATOM 102 N SER A 544 -4.126 -3.544 -5.815 1.00 0.00 N ATOM 103 CA SER A 544 -3.046 -3.509 -6.781 1.00 0.00 C ATOM 104 C SER A 544 -2.029 -2.438 -6.391 1.00 0.00 C ATOM 105 O SER A 544 -0.828 -2.650 -6.498 1.00 0.00 O ATOM 106 CB SER A 544 -3.602 -3.239 -8.180 1.00 0.00 C ATOM 107 OG SER A 544 -2.597 -3.356 -9.174 1.00 0.00 O ATOM 0 H SER A 544 -5.035 -3.266 -6.186 1.00 0.00 H new ATOM 0 HA SER A 544 -2.544 -4.476 -6.789 1.00 0.00 H new ATOM 0 HB2 SER A 544 -4.408 -3.941 -8.393 1.00 0.00 H new ATOM 0 HB3 SER A 544 -4.033 -2.238 -8.214 1.00 0.00 H new ATOM 0 HG SER A 544 -2.987 -3.179 -10.056 1.00 0.00 H new ATOM 113 N TYR A 545 -2.525 -1.305 -5.911 1.00 0.00 N ATOM 114 CA TYR A 545 -1.673 -0.202 -5.479 1.00 0.00 C ATOM 115 C TYR A 545 -0.811 -0.646 -4.301 1.00 0.00 C ATOM 116 O TYR A 545 0.405 -0.446 -4.295 1.00 0.00 O ATOM 117 CB TYR A 545 -2.551 0.996 -5.078 1.00 0.00 C ATOM 118 CG TYR A 545 -1.835 2.325 -5.001 1.00 0.00 C ATOM 119 CD1 TYR A 545 -0.745 2.511 -4.165 1.00 0.00 C ATOM 120 CD2 TYR A 545 -2.267 3.401 -5.764 1.00 0.00 C ATOM 121 CE1 TYR A 545 -0.097 3.725 -4.095 1.00 0.00 C ATOM 122 CE2 TYR A 545 -1.625 4.623 -5.701 1.00 0.00 C ATOM 123 CZ TYR A 545 -0.539 4.782 -4.866 1.00 0.00 C ATOM 124 OH TYR A 545 0.107 6.001 -4.804 1.00 0.00 O ATOM 0 H TYR A 545 -3.524 -1.124 -5.810 1.00 0.00 H new ATOM 0 HA TYR A 545 -1.018 0.096 -6.298 1.00 0.00 H new ATOM 0 HB2 TYR A 545 -3.367 1.083 -5.795 1.00 0.00 H new ATOM 0 HB3 TYR A 545 -3.000 0.787 -4.107 1.00 0.00 H new ATOM 0 HD1 TYR A 545 -0.397 1.689 -3.557 1.00 0.00 H new ATOM 0 HD2 TYR A 545 -3.119 3.281 -6.417 1.00 0.00 H new ATOM 0 HE1 TYR A 545 0.753 3.849 -3.440 1.00 0.00 H new ATOM 0 HE2 TYR A 545 -1.972 5.450 -6.303 1.00 0.00 H new ATOM 0 HH TYR A 545 -0.540 6.722 -4.954 1.00 0.00 H new ATOM 134 N ALA A 546 -1.447 -1.263 -3.313 1.00 0.00 N ATOM 135 CA ALA A 546 -0.745 -1.737 -2.137 1.00 0.00 C ATOM 136 C ALA A 546 0.218 -2.858 -2.507 1.00 0.00 C ATOM 137 O ALA A 546 1.361 -2.883 -2.047 1.00 0.00 O ATOM 138 CB ALA A 546 -1.736 -2.193 -1.078 1.00 0.00 C ATOM 0 H ALA A 546 -2.451 -1.445 -3.307 1.00 0.00 H new ATOM 0 HA ALA A 546 -0.161 -0.916 -1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -1.194 -2.546 -0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -2.377 -1.358 -0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -2.348 -3.002 -1.477 1.00 0.00 H new ATOM 144 N PHE A 547 -0.247 -3.772 -3.356 1.00 0.00 N ATOM 145 CA PHE A 547 0.598 -4.837 -3.882 1.00 0.00 C ATOM 146 C PHE A 547 1.816 -4.250 -4.582 1.00 0.00 C ATOM 147 O PHE A 547 2.937 -4.707 -4.384 1.00 0.00 O ATOM 148 CB PHE A 547 -0.183 -5.707 -4.867 1.00 0.00 C ATOM 149 CG PHE A 547 -0.624 -7.031 -4.310 1.00 0.00 C ATOM 150 CD1 PHE A 547 -1.698 -7.115 -3.444 1.00 0.00 C ATOM 151 CD2 PHE A 547 0.034 -8.197 -4.668 1.00 0.00 C ATOM 152 CE1 PHE A 547 -2.111 -8.336 -2.942 1.00 0.00 C ATOM 153 CE2 PHE A 547 -0.371 -9.420 -4.169 1.00 0.00 C ATOM 154 CZ PHE A 547 -1.444 -9.490 -3.305 1.00 0.00 C ATOM 0 H PHE A 547 -1.209 -3.794 -3.694 1.00 0.00 H new ATOM 0 HA PHE A 547 0.925 -5.453 -3.045 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -1.062 -5.156 -5.202 1.00 0.00 H new ATOM 0 HB3 PHE A 547 0.436 -5.884 -5.746 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -2.222 -6.216 -3.156 1.00 0.00 H new ATOM 0 HD2 PHE A 547 0.874 -8.149 -5.345 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -2.953 -8.387 -2.268 1.00 0.00 H new ATOM 0 HE2 PHE A 547 0.152 -10.320 -4.455 1.00 0.00 H new ATOM 0 HZ PHE A 547 -1.762 -10.445 -2.913 1.00 0.00 H new ATOM 164 N ASN A 548 1.577 -3.219 -5.382 1.00 0.00 N ATOM 165 CA ASN A 548 2.632 -2.554 -6.139 1.00 0.00 C ATOM 166 C ASN A 548 3.710 -1.989 -5.228 1.00 0.00 C ATOM 167 O ASN A 548 4.894 -2.219 -5.453 1.00 0.00 O ATOM 168 CB ASN A 548 2.047 -1.430 -7.002 1.00 0.00 C ATOM 169 CG ASN A 548 1.517 -1.926 -8.331 1.00 0.00 C ATOM 170 OD1 ASN A 548 1.976 -2.938 -8.857 1.00 0.00 O ATOM 171 ND2 ASN A 548 0.571 -1.196 -8.900 1.00 0.00 N ATOM 0 H ASN A 548 0.649 -2.820 -5.525 1.00 0.00 H new ATOM 0 HA ASN A 548 3.090 -3.306 -6.782 1.00 0.00 H new ATOM 0 HB2 ASN A 548 1.242 -0.940 -6.455 1.00 0.00 H new ATOM 0 HB3 ASN A 548 2.815 -0.678 -7.180 1.00 0.00 H new ATOM 0 HD21 ASN A 548 0.195 -1.467 -9.809 1.00 0.00 H new ATOM 0 HD22 ASN A 548 0.217 -0.363 -8.430 1.00 0.00 H new ATOM 178 N MET A 549 3.307 -1.249 -4.200 1.00 0.00 N ATOM 179 CA MET A 549 4.268 -0.644 -3.288 1.00 0.00 C ATOM 180 C MET A 549 5.018 -1.718 -2.513 1.00 0.00 C ATOM 181 O MET A 549 6.229 -1.633 -2.316 1.00 0.00 O ATOM 182 CB MET A 549 3.547 0.286 -2.324 1.00 0.00 C ATOM 183 CG MET A 549 2.682 1.334 -3.006 1.00 0.00 C ATOM 184 SD MET A 549 3.617 2.557 -3.958 1.00 0.00 S ATOM 185 CE MET A 549 3.789 1.717 -5.530 1.00 0.00 C ATOM 0 H MET A 549 2.330 -1.056 -3.980 1.00 0.00 H new ATOM 0 HA MET A 549 4.990 -0.070 -3.870 1.00 0.00 H new ATOM 0 HB2 MET A 549 2.921 -0.310 -1.660 1.00 0.00 H new ATOM 0 HB3 MET A 549 4.286 0.789 -1.700 1.00 0.00 H new ATOM 0 HG2 MET A 549 1.978 0.833 -3.670 1.00 0.00 H new ATOM 0 HG3 MET A 549 2.092 1.852 -2.249 1.00 0.00 H new ATOM 0 HE1 MET A 549 3.658 2.433 -6.341 1.00 0.00 H new ATOM 0 HE2 MET A 549 4.781 1.270 -5.597 1.00 0.00 H new ATOM 0 HE3 MET A 549 3.033 0.936 -5.610 1.00 0.00 H new ATOM 195 N LYS A 550 4.275 -2.727 -2.088 1.00 0.00 N ATOM 196 CA LYS A 550 4.834 -3.871 -1.378 1.00 0.00 C ATOM 197 C LYS A 550 5.843 -4.616 -2.249 1.00 0.00 C ATOM 198 O LYS A 550 6.942 -4.934 -1.800 1.00 0.00 O ATOM 199 CB LYS A 550 3.682 -4.782 -0.923 1.00 0.00 C ATOM 200 CG LYS A 550 4.072 -6.191 -0.523 1.00 0.00 C ATOM 201 CD LYS A 550 2.964 -6.820 0.298 1.00 0.00 C ATOM 202 CE LYS A 550 3.030 -6.390 1.755 1.00 0.00 C ATOM 203 NZ LYS A 550 3.767 -7.376 2.591 1.00 0.00 N ATOM 0 H LYS A 550 3.265 -2.778 -2.225 1.00 0.00 H new ATOM 0 HA LYS A 550 5.379 -3.529 -0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 550 3.183 -4.310 -0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 550 2.952 -4.843 -1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 550 4.263 -6.791 -1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 550 4.997 -6.172 0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 550 1.997 -6.540 -0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 550 3.036 -7.906 0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 550 3.518 -5.418 1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 550 2.019 -6.268 2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 4.042 -6.932 3.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 3.155 -8.195 2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 4.620 -7.691 2.086 1.00 0.00 H new ATOM 217 N SER A 551 5.481 -4.865 -3.495 1.00 0.00 N ATOM 218 CA SER A 551 6.374 -5.498 -4.441 1.00 0.00 C ATOM 219 C SER A 551 7.577 -4.609 -4.765 1.00 0.00 C ATOM 220 O SER A 551 8.668 -5.114 -4.977 1.00 0.00 O ATOM 221 CB SER A 551 5.609 -5.840 -5.716 1.00 0.00 C ATOM 222 OG SER A 551 4.735 -6.940 -5.514 1.00 0.00 O ATOM 0 H SER A 551 4.563 -4.634 -3.876 1.00 0.00 H new ATOM 0 HA SER A 551 6.757 -6.412 -3.988 1.00 0.00 H new ATOM 0 HB2 SER A 551 5.036 -4.972 -6.042 1.00 0.00 H new ATOM 0 HB3 SER A 551 6.314 -6.075 -6.514 1.00 0.00 H new ATOM 0 HG SER A 551 3.909 -6.628 -5.089 1.00 0.00 H new ATOM 228 N ALA A 552 7.369 -3.294 -4.814 1.00 0.00 N ATOM 229 CA ALA A 552 8.437 -2.364 -5.178 1.00 0.00 C ATOM 230 C ALA A 552 9.578 -2.383 -4.162 1.00 0.00 C ATOM 231 O ALA A 552 10.745 -2.422 -4.531 1.00 0.00 O ATOM 232 CB ALA A 552 7.893 -0.949 -5.330 1.00 0.00 C ATOM 0 H ALA A 552 6.474 -2.850 -4.607 1.00 0.00 H new ATOM 0 HA ALA A 552 8.838 -2.694 -6.136 1.00 0.00 H new ATOM 0 HB1 ALA A 552 8.705 -0.274 -5.601 1.00 0.00 H new ATOM 0 HB2 ALA A 552 7.132 -0.933 -6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 552 7.452 -0.626 -4.387 1.00 0.00 H new ATOM 238 N VAL A 553 9.238 -2.359 -2.881 1.00 0.00 N ATOM 239 CA VAL A 553 10.251 -2.337 -1.829 1.00 0.00 C ATOM 240 C VAL A 553 10.866 -3.714 -1.626 1.00 0.00 C ATOM 241 O VAL A 553 12.057 -3.843 -1.350 1.00 0.00 O ATOM 242 CB VAL A 553 9.657 -1.840 -0.503 1.00 0.00 C ATOM 243 CG1 VAL A 553 9.163 -0.423 -0.684 1.00 0.00 C ATOM 244 CG2 VAL A 553 8.527 -2.748 -0.036 1.00 0.00 C ATOM 0 H VAL A 553 8.275 -2.354 -2.544 1.00 0.00 H new ATOM 0 HA VAL A 553 11.033 -1.648 -2.149 1.00 0.00 H new ATOM 0 HB VAL A 553 10.431 -1.860 0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 553 8.740 -0.063 0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 553 9.995 0.218 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 553 8.398 -0.401 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 553 8.124 -2.373 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 553 7.738 -2.763 -0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 553 8.909 -3.759 0.110 1.00 0.00 H new ATOM 254 N GLU A 554 10.040 -4.733 -1.773 1.00 0.00 N ATOM 255 CA GLU A 554 10.460 -6.109 -1.592 1.00 0.00 C ATOM 256 C GLU A 554 11.010 -6.707 -2.888 1.00 0.00 C ATOM 257 O GLU A 554 11.330 -7.897 -2.948 1.00 0.00 O ATOM 258 CB GLU A 554 9.273 -6.908 -1.073 1.00 0.00 C ATOM 259 CG GLU A 554 9.412 -7.302 0.388 1.00 0.00 C ATOM 260 CD GLU A 554 10.308 -8.507 0.603 1.00 0.00 C ATOM 261 OE1 GLU A 554 11.543 -8.340 0.622 1.00 0.00 O ATOM 262 OE2 GLU A 554 9.780 -9.626 0.780 1.00 0.00 O ATOM 0 H GLU A 554 9.056 -4.629 -2.022 1.00 0.00 H new ATOM 0 HA GLU A 554 11.274 -6.147 -0.868 1.00 0.00 H new ATOM 0 HB2 GLU A 554 8.364 -6.320 -1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 554 9.157 -7.808 -1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 554 9.811 -6.457 0.948 1.00 0.00 H new ATOM 0 HG3 GLU A 554 8.424 -7.516 0.795 1.00 0.00 H new ATOM 269 N ASP A 555 11.101 -5.880 -3.920 1.00 0.00 N ATOM 270 CA ASP A 555 11.639 -6.306 -5.209 1.00 0.00 C ATOM 271 C ASP A 555 13.129 -6.594 -5.103 1.00 0.00 C ATOM 272 O ASP A 555 13.885 -5.829 -4.506 1.00 0.00 O ATOM 273 CB ASP A 555 11.404 -5.243 -6.281 1.00 0.00 C ATOM 274 CG ASP A 555 11.946 -5.657 -7.631 1.00 0.00 C ATOM 275 OD1 ASP A 555 11.339 -6.526 -8.286 1.00 0.00 O ATOM 276 OD2 ASP A 555 12.996 -5.126 -8.040 1.00 0.00 O ATOM 0 H ASP A 555 10.808 -4.904 -3.891 1.00 0.00 H new ATOM 0 HA ASP A 555 11.116 -7.219 -5.496 1.00 0.00 H new ATOM 0 HB2 ASP A 555 10.335 -5.047 -6.366 1.00 0.00 H new ATOM 0 HB3 ASP A 555 11.876 -4.310 -5.973 1.00 0.00 H new ATOM 281 N GLU A 556 13.542 -7.697 -5.700 1.00 0.00 N ATOM 282 CA GLU A 556 14.921 -8.155 -5.631 1.00 0.00 C ATOM 283 C GLU A 556 15.877 -7.254 -6.415 1.00 0.00 C ATOM 284 O GLU A 556 17.096 -7.411 -6.327 1.00 0.00 O ATOM 285 CB GLU A 556 15.025 -9.593 -6.134 1.00 0.00 C ATOM 286 CG GLU A 556 14.164 -10.570 -5.345 1.00 0.00 C ATOM 287 CD GLU A 556 12.801 -10.807 -5.970 1.00 0.00 C ATOM 288 OE1 GLU A 556 12.024 -9.843 -6.121 1.00 0.00 O ATOM 289 OE2 GLU A 556 12.508 -11.969 -6.323 1.00 0.00 O ATOM 0 H GLU A 556 12.931 -8.303 -6.248 1.00 0.00 H new ATOM 0 HA GLU A 556 15.221 -8.110 -4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 556 14.731 -9.626 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 556 16.065 -9.914 -6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 556 14.689 -11.522 -5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 556 14.031 -10.190 -4.332 1.00 0.00 H new ATOM 296 N GLY A 557 15.332 -6.330 -7.185 1.00 0.00 N ATOM 297 CA GLY A 557 16.164 -5.375 -7.889 1.00 0.00 C ATOM 298 C GLY A 557 16.177 -4.025 -7.209 1.00 0.00 C ATOM 299 O GLY A 557 17.148 -3.271 -7.312 1.00 0.00 O ATOM 0 H GLY A 557 14.329 -6.222 -7.337 1.00 0.00 H new ATOM 0 HA2 GLY A 557 17.182 -5.759 -7.952 1.00 0.00 H new ATOM 0 HA3 GLY A 557 15.802 -5.263 -8.911 1.00 0.00 H new ATOM 303 N LEU A 558 15.094 -3.720 -6.514 1.00 0.00 N ATOM 304 CA LEU A 558 14.967 -2.459 -5.802 1.00 0.00 C ATOM 305 C LEU A 558 15.452 -2.580 -4.365 1.00 0.00 C ATOM 306 O LEU A 558 15.615 -1.576 -3.672 1.00 0.00 O ATOM 307 CB LEU A 558 13.522 -1.972 -5.843 1.00 0.00 C ATOM 308 CG LEU A 558 13.150 -1.169 -7.090 1.00 0.00 C ATOM 309 CD1 LEU A 558 11.684 -1.373 -7.440 1.00 0.00 C ATOM 310 CD2 LEU A 558 13.431 0.307 -6.864 1.00 0.00 C ATOM 0 H LEU A 558 14.284 -4.334 -6.427 1.00 0.00 H new ATOM 0 HA LEU A 558 15.599 -1.725 -6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 558 12.860 -2.836 -5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 558 13.336 -1.356 -4.963 1.00 0.00 H new ATOM 0 HG LEU A 558 13.758 -1.523 -7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 558 11.438 -0.794 -8.330 1.00 0.00 H new ATOM 0 HD12 LEU A 558 11.500 -2.430 -7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 558 11.062 -1.042 -6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 558 13.163 0.870 -7.758 1.00 0.00 H new ATOM 0 HD22 LEU A 558 12.841 0.665 -6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 558 14.491 0.447 -6.652 1.00 0.00 H new ATOM 322 N LYS A 559 15.685 -3.803 -3.913 1.00 0.00 N ATOM 323 CA LYS A 559 16.286 -4.003 -2.610 1.00 0.00 C ATOM 324 C LYS A 559 17.700 -3.439 -2.620 1.00 0.00 C ATOM 325 O LYS A 559 18.500 -3.751 -3.500 1.00 0.00 O ATOM 326 CB LYS A 559 16.291 -5.483 -2.207 1.00 0.00 C ATOM 327 CG LYS A 559 17.020 -6.407 -3.173 1.00 0.00 C ATOM 328 CD LYS A 559 17.173 -7.798 -2.579 1.00 0.00 C ATOM 329 CE LYS A 559 17.860 -8.753 -3.540 1.00 0.00 C ATOM 330 NZ LYS A 559 18.017 -10.107 -2.947 1.00 0.00 N ATOM 0 H LYS A 559 15.469 -4.659 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 559 15.688 -3.476 -1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 559 16.750 -5.575 -1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 559 15.260 -5.822 -2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 559 16.469 -6.466 -4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 559 18.002 -5.996 -3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 559 17.748 -7.737 -1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 559 16.191 -8.191 -2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 559 17.280 -8.823 -4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 559 18.839 -8.357 -3.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 18.490 -10.733 -3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 18.591 -10.043 -2.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 17.081 -10.494 -2.713 1.00 0.00 H new ATOM 344 N GLY A 560 17.993 -2.590 -1.654 1.00 0.00 N ATOM 345 CA GLY A 560 19.247 -1.871 -1.657 1.00 0.00 C ATOM 346 C GLY A 560 19.061 -0.432 -2.093 1.00 0.00 C ATOM 347 O GLY A 560 19.828 0.447 -1.703 1.00 0.00 O ATOM 0 H GLY A 560 17.383 -2.384 -0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 560 19.684 -1.896 -0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 560 19.950 -2.367 -2.326 1.00 0.00 H new ATOM 351 N LYS A 561 18.031 -0.195 -2.901 1.00 0.00 N ATOM 352 CA LYS A 561 17.694 1.156 -3.330 1.00 0.00 C ATOM 353 C LYS A 561 16.945 1.876 -2.220 1.00 0.00 C ATOM 354 O LYS A 561 17.135 3.069 -1.990 1.00 0.00 O ATOM 355 CB LYS A 561 16.828 1.138 -4.585 1.00 0.00 C ATOM 356 CG LYS A 561 17.490 0.496 -5.789 1.00 0.00 C ATOM 357 CD LYS A 561 16.735 0.830 -7.053 1.00 0.00 C ATOM 358 CE LYS A 561 17.209 0.004 -8.231 1.00 0.00 C ATOM 359 NZ LYS A 561 16.603 0.469 -9.507 1.00 0.00 N ATOM 0 H LYS A 561 17.417 -0.921 -3.270 1.00 0.00 H new ATOM 0 HA LYS A 561 18.624 1.678 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 561 15.903 0.605 -4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 561 16.554 2.162 -4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 561 18.520 0.843 -5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 561 17.527 -0.585 -5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 561 15.670 0.659 -6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 561 16.858 1.889 -7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 561 18.295 0.061 -8.302 1.00 0.00 H new ATOM 0 HE3 LYS A 561 16.954 -1.043 -8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 16.950 -0.119 -10.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 15.568 0.391 -9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 16.867 1.461 -9.675 1.00 0.00 H new ATOM 373 N ILE A 562 16.086 1.132 -1.535 1.00 0.00 N ATOM 374 CA ILE A 562 15.296 1.684 -0.453 1.00 0.00 C ATOM 375 C ILE A 562 15.831 1.201 0.887 1.00 0.00 C ATOM 376 O ILE A 562 16.408 0.114 0.985 1.00 0.00 O ATOM 377 CB ILE A 562 13.804 1.305 -0.593 1.00 0.00 C ATOM 378 CG1 ILE A 562 12.954 2.191 0.302 1.00 0.00 C ATOM 379 CG2 ILE A 562 13.557 -0.160 -0.259 1.00 0.00 C ATOM 380 CD1 ILE A 562 11.507 1.777 0.339 1.00 0.00 C ATOM 0 H ILE A 562 15.922 0.141 -1.714 1.00 0.00 H new ATOM 0 HA ILE A 562 15.375 2.770 -0.503 1.00 0.00 H new ATOM 0 HB ILE A 562 13.522 1.460 -1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 562 13.358 2.169 1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 562 13.022 3.222 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 562 12.496 -0.385 -0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 562 14.134 -0.790 -0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 562 13.864 -0.356 0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 562 10.953 2.448 0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 562 11.089 1.825 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 562 11.430 0.757 0.715 1.00 0.00 H new ATOM 392 N SER A 563 15.662 2.019 1.908 1.00 0.00 N ATOM 393 CA SER A 563 16.039 1.654 3.251 1.00 0.00 C ATOM 394 C SER A 563 14.973 0.744 3.840 1.00 0.00 C ATOM 395 O SER A 563 13.781 0.895 3.554 1.00 0.00 O ATOM 396 CB SER A 563 16.204 2.923 4.081 1.00 0.00 C ATOM 397 OG SER A 563 15.484 3.997 3.497 1.00 0.00 O ATOM 0 H SER A 563 15.260 2.953 1.825 1.00 0.00 H new ATOM 0 HA SER A 563 16.986 1.115 3.251 1.00 0.00 H new ATOM 0 HB2 SER A 563 15.848 2.749 5.097 1.00 0.00 H new ATOM 0 HB3 SER A 563 17.260 3.182 4.153 1.00 0.00 H new ATOM 0 HG SER A 563 14.743 4.253 4.086 1.00 0.00 H new ATOM 403 N GLU A 564 15.418 -0.206 4.656 1.00 0.00 N ATOM 404 CA GLU A 564 14.555 -1.256 5.174 1.00 0.00 C ATOM 405 C GLU A 564 13.409 -0.688 5.980 1.00 0.00 C ATOM 406 O GLU A 564 12.334 -1.264 6.010 1.00 0.00 O ATOM 407 CB GLU A 564 15.362 -2.220 6.031 1.00 0.00 C ATOM 408 CG GLU A 564 16.604 -2.708 5.324 1.00 0.00 C ATOM 409 CD GLU A 564 16.283 -3.419 4.022 1.00 0.00 C ATOM 410 OE1 GLU A 564 15.789 -4.565 4.063 1.00 0.00 O ATOM 411 OE2 GLU A 564 16.519 -2.833 2.949 1.00 0.00 O ATOM 0 H GLU A 564 16.385 -0.268 4.975 1.00 0.00 H new ATOM 0 HA GLU A 564 14.134 -1.790 4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 564 15.645 -1.727 6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 564 14.739 -3.074 6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 564 17.260 -1.862 5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 564 17.151 -3.385 5.980 1.00 0.00 H new ATOM 418 N ALA A 565 13.645 0.435 6.638 1.00 0.00 N ATOM 419 CA ALA A 565 12.592 1.092 7.403 1.00 0.00 C ATOM 420 C ALA A 565 11.440 1.516 6.497 1.00 0.00 C ATOM 421 O ALA A 565 10.272 1.322 6.836 1.00 0.00 O ATOM 422 CB ALA A 565 13.132 2.302 8.139 1.00 0.00 C ATOM 0 H ALA A 565 14.548 0.909 6.660 1.00 0.00 H new ATOM 0 HA ALA A 565 12.220 0.372 8.132 1.00 0.00 H new ATOM 0 HB1 ALA A 565 12.327 2.774 8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 565 13.919 1.989 8.825 1.00 0.00 H new ATOM 0 HB3 ALA A 565 13.538 3.014 7.420 1.00 0.00 H new ATOM 428 N ASP A 566 11.773 2.076 5.336 1.00 0.00 N ATOM 429 CA ASP A 566 10.760 2.505 4.379 1.00 0.00 C ATOM 430 C ASP A 566 10.068 1.289 3.802 1.00 0.00 C ATOM 431 O ASP A 566 8.843 1.245 3.696 1.00 0.00 O ATOM 432 CB ASP A 566 11.380 3.321 3.243 1.00 0.00 C ATOM 433 CG ASP A 566 12.064 4.587 3.715 1.00 0.00 C ATOM 434 OD1 ASP A 566 13.089 4.489 4.425 1.00 0.00 O ATOM 435 OD2 ASP A 566 11.584 5.688 3.382 1.00 0.00 O ATOM 0 H ASP A 566 12.734 2.242 5.037 1.00 0.00 H new ATOM 0 HA ASP A 566 10.041 3.136 4.902 1.00 0.00 H new ATOM 0 HB2 ASP A 566 12.104 2.701 2.714 1.00 0.00 H new ATOM 0 HB3 ASP A 566 10.601 3.583 2.527 1.00 0.00 H new ATOM 440 N LYS A 567 10.877 0.302 3.435 1.00 0.00 N ATOM 441 CA LYS A 567 10.381 -0.975 2.952 1.00 0.00 C ATOM 442 C LYS A 567 9.414 -1.601 3.959 1.00 0.00 C ATOM 443 O LYS A 567 8.317 -2.023 3.602 1.00 0.00 O ATOM 444 CB LYS A 567 11.563 -1.918 2.724 1.00 0.00 C ATOM 445 CG LYS A 567 11.154 -3.331 2.353 1.00 0.00 C ATOM 446 CD LYS A 567 12.313 -4.304 2.485 1.00 0.00 C ATOM 447 CE LYS A 567 13.343 -4.078 1.401 1.00 0.00 C ATOM 448 NZ LYS A 567 14.535 -4.945 1.581 1.00 0.00 N ATOM 0 H LYS A 567 11.894 0.367 3.465 1.00 0.00 H new ATOM 0 HA LYS A 567 9.845 -0.812 2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 567 12.193 -1.512 1.932 1.00 0.00 H new ATOM 0 HB3 LYS A 567 12.170 -1.951 3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 567 10.334 -3.653 2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 567 10.782 -3.345 1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 567 12.779 -4.188 3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 567 11.941 -5.327 2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 567 12.895 -4.275 0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 567 13.651 -3.032 1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 15.296 -4.624 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 14.858 -4.891 2.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 14.287 -5.929 1.352 1.00 0.00 H new ATOM 462 N LYS A 568 9.825 -1.633 5.221 1.00 0.00 N ATOM 463 CA LYS A 568 9.022 -2.235 6.280 1.00 0.00 C ATOM 464 C LYS A 568 7.712 -1.495 6.474 1.00 0.00 C ATOM 465 O LYS A 568 6.650 -2.114 6.519 1.00 0.00 O ATOM 466 CB LYS A 568 9.784 -2.256 7.605 1.00 0.00 C ATOM 467 CG LYS A 568 10.898 -3.281 7.659 1.00 0.00 C ATOM 468 CD LYS A 568 11.629 -3.220 8.987 1.00 0.00 C ATOM 469 CE LYS A 568 10.686 -3.499 10.151 1.00 0.00 C ATOM 470 NZ LYS A 568 11.381 -3.488 11.464 1.00 0.00 N ATOM 0 H LYS A 568 10.714 -1.247 5.538 1.00 0.00 H new ATOM 0 HA LYS A 568 8.808 -3.258 5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 568 10.205 -1.267 7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 568 9.081 -2.456 8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 568 10.486 -4.279 7.512 1.00 0.00 H new ATOM 0 HG3 LYS A 568 11.600 -3.103 6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 568 12.441 -3.947 8.991 1.00 0.00 H new ATOM 0 HD3 LYS A 568 12.082 -2.236 9.111 1.00 0.00 H new ATOM 0 HE2 LYS A 568 9.892 -2.752 10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 568 10.210 -4.469 10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 10.695 -3.683 12.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 12.121 -4.218 11.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 11.813 -2.555 11.620 1.00 0.00 H new ATOM 484 N LYS A 569 7.788 -0.172 6.583 1.00 0.00 N ATOM 485 CA LYS A 569 6.615 0.625 6.890 1.00 0.00 C ATOM 486 C LYS A 569 5.558 0.456 5.805 1.00 0.00 C ATOM 487 O LYS A 569 4.376 0.281 6.105 1.00 0.00 O ATOM 488 CB LYS A 569 6.984 2.109 7.074 1.00 0.00 C ATOM 489 CG LYS A 569 7.208 2.876 5.782 1.00 0.00 C ATOM 490 CD LYS A 569 7.539 4.332 6.055 1.00 0.00 C ATOM 491 CE LYS A 569 6.298 5.119 6.445 1.00 0.00 C ATOM 492 NZ LYS A 569 6.617 6.516 6.842 1.00 0.00 N ATOM 0 H LYS A 569 8.647 0.365 6.463 1.00 0.00 H new ATOM 0 HA LYS A 569 6.199 0.269 7.833 1.00 0.00 H new ATOM 0 HB2 LYS A 569 6.190 2.599 7.638 1.00 0.00 H new ATOM 0 HB3 LYS A 569 7.889 2.171 7.678 1.00 0.00 H new ATOM 0 HG2 LYS A 569 8.020 2.416 5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 569 6.315 2.814 5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 569 8.278 4.395 6.854 1.00 0.00 H new ATOM 0 HD3 LYS A 569 7.990 4.777 5.168 1.00 0.00 H new ATOM 0 HE2 LYS A 569 5.601 5.132 5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 569 5.795 4.615 7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 569 5.740 7.013 7.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 569 7.262 6.506 7.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 569 7.073 7.007 6.047 1.00 0.00 H new ATOM 506 N VAL A 570 5.988 0.487 4.549 1.00 0.00 N ATOM 507 CA VAL A 570 5.071 0.355 3.436 1.00 0.00 C ATOM 508 C VAL A 570 4.524 -1.070 3.326 1.00 0.00 C ATOM 509 O VAL A 570 3.331 -1.246 3.148 1.00 0.00 O ATOM 510 CB VAL A 570 5.700 0.814 2.103 1.00 0.00 C ATOM 511 CG1 VAL A 570 6.824 -0.103 1.677 1.00 0.00 C ATOM 512 CG2 VAL A 570 4.641 0.908 1.017 1.00 0.00 C ATOM 0 H VAL A 570 6.966 0.602 4.282 1.00 0.00 H new ATOM 0 HA VAL A 570 4.233 1.021 3.641 1.00 0.00 H new ATOM 0 HB VAL A 570 6.125 1.806 2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 570 7.244 0.250 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 570 7.601 -0.106 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 570 6.439 -1.114 1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 570 5.103 1.233 0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 570 4.181 -0.069 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 570 3.878 1.628 1.314 1.00 0.00 H new ATOM 522 N LEU A 571 5.386 -2.086 3.456 1.00 0.00 N ATOM 523 CA LEU A 571 4.932 -3.483 3.406 1.00 0.00 C ATOM 524 C LEU A 571 3.868 -3.727 4.471 1.00 0.00 C ATOM 525 O LEU A 571 2.818 -4.312 4.198 1.00 0.00 O ATOM 526 CB LEU A 571 6.091 -4.462 3.643 1.00 0.00 C ATOM 527 CG LEU A 571 7.124 -4.603 2.528 1.00 0.00 C ATOM 528 CD1 LEU A 571 8.418 -5.158 3.098 1.00 0.00 C ATOM 529 CD2 LEU A 571 6.621 -5.525 1.434 1.00 0.00 C ATOM 0 H LEU A 571 6.390 -1.971 3.595 1.00 0.00 H new ATOM 0 HA LEU A 571 4.521 -3.655 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 571 6.612 -4.155 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 571 5.667 -5.447 3.837 1.00 0.00 H new ATOM 0 HG LEU A 571 7.299 -3.617 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 571 9.154 -5.258 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 571 8.800 -4.480 3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 571 8.230 -6.135 3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 571 7.376 -5.608 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 571 6.422 -6.512 1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 571 5.703 -5.119 1.010 1.00 0.00 H new ATOM 541 N ASP A 572 4.163 -3.264 5.681 1.00 0.00 N ATOM 542 CA ASP A 572 3.257 -3.394 6.819 1.00 0.00 C ATOM 543 C ASP A 572 1.932 -2.705 6.524 1.00 0.00 C ATOM 544 O ASP A 572 0.856 -3.267 6.732 1.00 0.00 O ATOM 545 CB ASP A 572 3.905 -2.764 8.055 1.00 0.00 C ATOM 546 CG ASP A 572 3.074 -2.926 9.308 1.00 0.00 C ATOM 547 OD1 ASP A 572 3.257 -3.938 10.018 1.00 0.00 O ATOM 548 OD2 ASP A 572 2.254 -2.029 9.600 1.00 0.00 O ATOM 0 H ASP A 572 5.037 -2.787 5.902 1.00 0.00 H new ATOM 0 HA ASP A 572 3.065 -4.451 7.003 1.00 0.00 H new ATOM 0 HB2 ASP A 572 4.884 -3.216 8.215 1.00 0.00 H new ATOM 0 HB3 ASP A 572 4.070 -1.703 7.870 1.00 0.00 H new ATOM 553 N LYS A 573 2.030 -1.492 6.012 1.00 0.00 N ATOM 554 CA LYS A 573 0.866 -0.694 5.670 1.00 0.00 C ATOM 555 C LYS A 573 0.094 -1.316 4.506 1.00 0.00 C ATOM 556 O LYS A 573 -1.136 -1.339 4.508 1.00 0.00 O ATOM 557 CB LYS A 573 1.328 0.720 5.338 1.00 0.00 C ATOM 558 CG LYS A 573 0.297 1.578 4.639 1.00 0.00 C ATOM 559 CD LYS A 573 -0.987 1.694 5.419 1.00 0.00 C ATOM 560 CE LYS A 573 -1.962 2.585 4.692 1.00 0.00 C ATOM 561 NZ LYS A 573 -3.280 2.604 5.365 1.00 0.00 N ATOM 0 H LYS A 573 2.920 -1.031 5.821 1.00 0.00 H new ATOM 0 HA LYS A 573 0.182 -0.661 6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 573 1.626 1.216 6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 573 2.216 0.658 4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 573 0.709 2.574 4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 573 0.084 1.156 3.657 1.00 0.00 H new ATOM 0 HD2 LYS A 573 -1.424 0.706 5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 573 -0.783 2.099 6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 573 -1.563 3.598 4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 573 -2.080 2.237 3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 573 -4.001 2.960 4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 573 -3.531 1.640 5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 573 -3.236 3.225 6.198 1.00 0.00 H new ATOM 575 N CYS A 574 0.820 -1.817 3.521 1.00 0.00 N ATOM 576 CA CYS A 574 0.211 -2.510 2.395 1.00 0.00 C ATOM 577 C CYS A 574 -0.582 -3.718 2.881 1.00 0.00 C ATOM 578 O CYS A 574 -1.653 -4.018 2.366 1.00 0.00 O ATOM 579 CB CYS A 574 1.280 -2.936 1.389 1.00 0.00 C ATOM 580 SG CYS A 574 2.023 -1.564 0.478 1.00 0.00 S ATOM 0 H CYS A 574 1.837 -1.757 3.477 1.00 0.00 H new ATOM 0 HA CYS A 574 -0.476 -1.826 1.896 1.00 0.00 H new ATOM 0 HB2 CYS A 574 2.066 -3.476 1.917 1.00 0.00 H new ATOM 0 HB3 CYS A 574 0.837 -3.633 0.678 1.00 0.00 H new ATOM 0 HG CYS A 574 1.832 -1.736 -0.796 1.00 0.00 H new ATOM 586 N GLN A 575 -0.050 -4.401 3.878 1.00 0.00 N ATOM 587 CA GLN A 575 -0.739 -5.526 4.488 1.00 0.00 C ATOM 588 C GLN A 575 -2.003 -5.069 5.209 1.00 0.00 C ATOM 589 O GLN A 575 -3.022 -5.760 5.186 1.00 0.00 O ATOM 590 CB GLN A 575 0.194 -6.230 5.462 1.00 0.00 C ATOM 591 CG GLN A 575 0.751 -7.541 4.937 1.00 0.00 C ATOM 592 CD GLN A 575 -0.323 -8.589 4.728 1.00 0.00 C ATOM 593 OE1 GLN A 575 -0.661 -9.337 5.646 1.00 0.00 O ATOM 594 NE2 GLN A 575 -0.850 -8.668 3.516 1.00 0.00 N ATOM 0 H GLN A 575 0.862 -4.196 4.285 1.00 0.00 H new ATOM 0 HA GLN A 575 -1.033 -6.220 3.701 1.00 0.00 H new ATOM 0 HB2 GLN A 575 1.023 -5.564 5.703 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -0.342 -6.420 6.392 1.00 0.00 H new ATOM 0 HG2 GLN A 575 1.266 -7.361 3.993 1.00 0.00 H new ATOM 0 HG3 GLN A 575 1.494 -7.922 5.638 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -0.542 -8.029 2.783 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -1.564 -9.368 3.315 1.00 0.00 H new ATOM 603 N GLU A 576 -1.933 -3.901 5.840 1.00 0.00 N ATOM 604 CA GLU A 576 -3.084 -3.322 6.527 1.00 0.00 C ATOM 605 C GLU A 576 -4.244 -3.115 5.559 1.00 0.00 C ATOM 606 O GLU A 576 -5.362 -3.574 5.804 1.00 0.00 O ATOM 607 CB GLU A 576 -2.707 -1.988 7.172 1.00 0.00 C ATOM 608 CG GLU A 576 -3.886 -1.279 7.821 1.00 0.00 C ATOM 609 CD GLU A 576 -4.173 0.079 7.203 1.00 0.00 C ATOM 610 OE1 GLU A 576 -4.131 0.200 5.960 1.00 0.00 O ATOM 611 OE2 GLU A 576 -4.462 1.035 7.955 1.00 0.00 O ATOM 0 H GLU A 576 -1.087 -3.334 5.890 1.00 0.00 H new ATOM 0 HA GLU A 576 -3.396 -4.018 7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 576 -1.937 -2.161 7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 576 -2.272 -1.336 6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 576 -4.773 -1.907 7.735 1.00 0.00 H new ATOM 0 HG3 GLU A 576 -3.687 -1.153 8.885 1.00 0.00 H new ATOM 618 N VAL A 577 -3.972 -2.431 4.461 1.00 0.00 N ATOM 619 CA VAL A 577 -4.991 -2.174 3.454 1.00 0.00 C ATOM 620 C VAL A 577 -5.442 -3.466 2.778 1.00 0.00 C ATOM 621 O VAL A 577 -6.634 -3.687 2.591 1.00 0.00 O ATOM 622 CB VAL A 577 -4.514 -1.148 2.395 1.00 0.00 C ATOM 623 CG1 VAL A 577 -3.046 -1.327 2.077 1.00 0.00 C ATOM 624 CG2 VAL A 577 -5.331 -1.252 1.119 1.00 0.00 C ATOM 0 H VAL A 577 -3.054 -2.043 4.243 1.00 0.00 H new ATOM 0 HA VAL A 577 -5.845 -1.741 3.975 1.00 0.00 H new ATOM 0 HB VAL A 577 -4.660 -0.157 2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 577 -2.743 -0.592 1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 577 -2.458 -1.187 2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 577 -2.878 -2.331 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 577 -4.972 -0.519 0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 577 -5.228 -2.254 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 577 -6.380 -1.058 1.342 1.00 0.00 H new ATOM 634 N ILE A 578 -4.491 -4.325 2.435 1.00 0.00 N ATOM 635 CA ILE A 578 -4.801 -5.572 1.748 1.00 0.00 C ATOM 636 C ILE A 578 -5.705 -6.481 2.597 1.00 0.00 C ATOM 637 O ILE A 578 -6.652 -7.081 2.081 1.00 0.00 O ATOM 638 CB ILE A 578 -3.505 -6.291 1.305 1.00 0.00 C ATOM 639 CG1 ILE A 578 -2.983 -5.641 0.015 1.00 0.00 C ATOM 640 CG2 ILE A 578 -3.740 -7.777 1.101 1.00 0.00 C ATOM 641 CD1 ILE A 578 -1.566 -6.017 -0.335 1.00 0.00 C ATOM 0 H ILE A 578 -3.499 -4.181 2.621 1.00 0.00 H new ATOM 0 HA ILE A 578 -5.366 -5.328 0.848 1.00 0.00 H new ATOM 0 HB ILE A 578 -2.758 -6.187 2.092 1.00 0.00 H new ATOM 0 HG12 ILE A 578 -3.636 -5.922 -0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 578 -3.045 -4.557 0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 578 -2.810 -8.253 0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 578 -4.081 -8.223 2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 578 -4.498 -7.923 0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 578 -1.274 -5.516 -1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 578 -0.899 -5.711 0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 578 -1.499 -7.096 -0.471 1.00 0.00 H new ATOM 653 N SER A 579 -5.451 -6.545 3.900 1.00 0.00 N ATOM 654 CA SER A 579 -6.304 -7.325 4.795 1.00 0.00 C ATOM 655 C SER A 579 -7.660 -6.638 4.981 1.00 0.00 C ATOM 656 O SER A 579 -8.695 -7.294 5.100 1.00 0.00 O ATOM 657 CB SER A 579 -5.615 -7.539 6.145 1.00 0.00 C ATOM 658 OG SER A 579 -5.132 -6.318 6.674 1.00 0.00 O ATOM 0 H SER A 579 -4.671 -6.073 4.358 1.00 0.00 H new ATOM 0 HA SER A 579 -6.476 -8.301 4.342 1.00 0.00 H new ATOM 0 HB2 SER A 579 -6.317 -7.990 6.847 1.00 0.00 H new ATOM 0 HB3 SER A 579 -4.788 -8.239 6.027 1.00 0.00 H new ATOM 0 HG SER A 579 -4.196 -6.196 6.412 1.00 0.00 H new ATOM 664 N TRP A 580 -7.641 -5.310 4.971 1.00 0.00 N ATOM 665 CA TRP A 580 -8.855 -4.512 5.065 1.00 0.00 C ATOM 666 C TRP A 580 -9.697 -4.730 3.816 1.00 0.00 C ATOM 667 O TRP A 580 -10.922 -4.751 3.872 1.00 0.00 O ATOM 668 CB TRP A 580 -8.486 -3.027 5.219 1.00 0.00 C ATOM 669 CG TRP A 580 -9.647 -2.078 5.117 1.00 0.00 C ATOM 670 CD1 TRP A 580 -10.383 -1.558 6.143 1.00 0.00 C ATOM 671 CD2 TRP A 580 -10.195 -1.528 3.913 1.00 0.00 C ATOM 672 NE1 TRP A 580 -11.353 -0.719 5.647 1.00 0.00 N ATOM 673 CE2 TRP A 580 -11.259 -0.687 4.282 1.00 0.00 C ATOM 674 CE3 TRP A 580 -9.885 -1.669 2.558 1.00 0.00 C ATOM 675 CZ2 TRP A 580 -12.014 0.009 3.342 1.00 0.00 C ATOM 676 CZ3 TRP A 580 -10.634 -0.981 1.629 1.00 0.00 C ATOM 677 CH2 TRP A 580 -11.690 -0.150 2.023 1.00 0.00 C ATOM 0 H TRP A 580 -6.786 -4.759 4.898 1.00 0.00 H new ATOM 0 HA TRP A 580 -9.433 -4.817 5.937 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -8.002 -2.885 6.185 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -7.754 -2.767 4.455 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -10.226 -1.774 7.190 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -12.033 -0.204 6.206 1.00 0.00 H new ATOM 0 HE3 TRP A 580 -9.072 -2.307 2.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -12.827 0.652 3.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 -10.403 -1.084 0.579 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -12.260 0.375 1.271 1.00 0.00 H new ATOM 688 N LEU A 581 -9.009 -4.896 2.698 1.00 0.00 N ATOM 689 CA LEU A 581 -9.638 -5.147 1.409 1.00 0.00 C ATOM 690 C LEU A 581 -10.428 -6.439 1.416 1.00 0.00 C ATOM 691 O LEU A 581 -11.555 -6.489 0.928 1.00 0.00 O ATOM 692 CB LEU A 581 -8.569 -5.233 0.342 1.00 0.00 C ATOM 693 CG LEU A 581 -8.039 -3.903 -0.152 1.00 0.00 C ATOM 694 CD1 LEU A 581 -6.676 -4.114 -0.760 1.00 0.00 C ATOM 695 CD2 LEU A 581 -8.996 -3.311 -1.162 1.00 0.00 C ATOM 0 H LEU A 581 -7.990 -4.860 2.658 1.00 0.00 H new ATOM 0 HA LEU A 581 -10.325 -4.326 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 581 -7.735 -5.815 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 581 -8.971 -5.784 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 581 -7.951 -3.204 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 581 -6.286 -3.161 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 581 -6.001 -4.522 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 581 -6.754 -4.811 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 581 -8.609 -2.355 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 581 -9.101 -3.992 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 581 -9.969 -3.159 -0.695 1.00 0.00 H new ATOM 707 N ASP A 582 -9.810 -7.490 1.931 1.00 0.00 N ATOM 708 CA ASP A 582 -10.477 -8.783 2.040 1.00 0.00 C ATOM 709 C ASP A 582 -11.673 -8.671 2.968 1.00 0.00 C ATOM 710 O ASP A 582 -12.713 -9.296 2.756 1.00 0.00 O ATOM 711 CB ASP A 582 -9.515 -9.847 2.566 1.00 0.00 C ATOM 712 CG ASP A 582 -10.190 -11.193 2.744 1.00 0.00 C ATOM 713 OD1 ASP A 582 -10.489 -11.854 1.726 1.00 0.00 O ATOM 714 OD2 ASP A 582 -10.436 -11.594 3.904 1.00 0.00 O ATOM 0 H ASP A 582 -8.851 -7.476 2.280 1.00 0.00 H new ATOM 0 HA ASP A 582 -10.814 -9.080 1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 582 -8.678 -9.951 1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 582 -9.102 -9.521 3.520 1.00 0.00 H new ATOM 719 N ALA A 583 -11.512 -7.846 3.985 1.00 0.00 N ATOM 720 CA ALA A 583 -12.531 -7.649 4.993 1.00 0.00 C ATOM 721 C ALA A 583 -13.673 -6.774 4.478 1.00 0.00 C ATOM 722 O ALA A 583 -14.832 -6.946 4.865 1.00 0.00 O ATOM 723 CB ALA A 583 -11.884 -7.027 6.213 1.00 0.00 C ATOM 0 H ALA A 583 -10.668 -7.293 4.134 1.00 0.00 H new ATOM 0 HA ALA A 583 -12.968 -8.613 5.253 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -12.638 -6.871 6.985 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -11.108 -7.692 6.593 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -11.440 -6.070 5.941 1.00 0.00 H new ATOM 729 N ASN A 584 -13.345 -5.851 3.586 1.00 0.00 N ATOM 730 CA ASN A 584 -14.321 -4.908 3.055 1.00 0.00 C ATOM 731 C ASN A 584 -14.324 -4.938 1.535 1.00 0.00 C ATOM 732 O ASN A 584 -13.890 -3.991 0.881 1.00 0.00 O ATOM 733 CB ASN A 584 -14.028 -3.485 3.546 1.00 0.00 C ATOM 734 CG ASN A 584 -14.143 -3.347 5.052 1.00 0.00 C ATOM 735 OD1 ASN A 584 -15.217 -3.055 5.583 1.00 0.00 O ATOM 736 ND2 ASN A 584 -13.039 -3.552 5.749 1.00 0.00 N ATOM 0 H ASN A 584 -12.403 -5.734 3.212 1.00 0.00 H new ATOM 0 HA ASN A 584 -15.305 -5.207 3.416 1.00 0.00 H new ATOM 0 HB2 ASN A 584 -13.023 -3.198 3.235 1.00 0.00 H new ATOM 0 HB3 ASN A 584 -14.720 -2.791 3.068 1.00 0.00 H new ATOM 0 HD21 ASN A 584 -13.055 -3.470 6.766 1.00 0.00 H new ATOM 0 HD22 ASN A 584 -12.171 -3.792 5.270 1.00 0.00 H new ATOM 743 N THR A 585 -14.811 -6.031 0.975 1.00 0.00 N ATOM 744 CA THR A 585 -14.923 -6.168 -0.463 1.00 0.00 C ATOM 745 C THR A 585 -16.122 -5.391 -0.984 1.00 0.00 C ATOM 746 O THR A 585 -16.125 -4.895 -2.112 1.00 0.00 O ATOM 747 CB THR A 585 -15.067 -7.649 -0.850 1.00 0.00 C ATOM 748 OG1 THR A 585 -15.762 -8.349 0.190 1.00 0.00 O ATOM 749 CG2 THR A 585 -13.712 -8.286 -1.062 1.00 0.00 C ATOM 0 H THR A 585 -15.137 -6.842 1.501 1.00 0.00 H new ATOM 0 HA THR A 585 -14.015 -5.765 -0.912 1.00 0.00 H new ATOM 0 HB THR A 585 -15.629 -7.709 -1.782 1.00 0.00 H new ATOM 0 HG1 THR A 585 -15.856 -9.293 -0.057 1.00 0.00 H new ATOM 0 HG21 THR A 585 -13.841 -9.333 -1.335 1.00 0.00 H new ATOM 0 HG22 THR A 585 -13.186 -7.765 -1.862 1.00 0.00 H new ATOM 0 HG23 THR A 585 -13.131 -8.220 -0.142 1.00 0.00 H new ATOM 757 N LEU A 586 -17.129 -5.274 -0.134 1.00 0.00 N ATOM 758 CA LEU A 586 -18.385 -4.649 -0.511 1.00 0.00 C ATOM 759 C LEU A 586 -18.411 -3.186 -0.084 1.00 0.00 C ATOM 760 O LEU A 586 -19.435 -2.510 -0.201 1.00 0.00 O ATOM 761 CB LEU A 586 -19.564 -5.410 0.099 1.00 0.00 C ATOM 762 CG LEU A 586 -19.783 -6.842 -0.417 1.00 0.00 C ATOM 763 CD1 LEU A 586 -19.788 -6.865 -1.937 1.00 0.00 C ATOM 764 CD2 LEU A 586 -18.723 -7.796 0.111 1.00 0.00 C ATOM 0 H LEU A 586 -17.099 -5.607 0.830 1.00 0.00 H new ATOM 0 HA LEU A 586 -18.474 -4.686 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 586 -19.424 -5.452 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 586 -20.473 -4.837 -0.082 1.00 0.00 H new ATOM 0 HG LEU A 586 -20.753 -7.177 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 586 -19.944 -7.886 -2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 586 -20.591 -6.228 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 586 -18.832 -6.497 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 586 -18.911 -8.798 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 586 -17.738 -7.461 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 586 -18.760 -7.814 1.200 1.00 0.00 H new ATOM 776 N ALA A 587 -17.277 -2.712 0.419 1.00 0.00 N ATOM 777 CA ALA A 587 -17.118 -1.311 0.793 1.00 0.00 C ATOM 778 C ALA A 587 -17.425 -0.405 -0.391 1.00 0.00 C ATOM 779 O ALA A 587 -17.336 -0.824 -1.548 1.00 0.00 O ATOM 780 CB ALA A 587 -15.697 -1.049 1.273 1.00 0.00 C ATOM 0 H ALA A 587 -16.447 -3.283 0.578 1.00 0.00 H new ATOM 0 HA ALA A 587 -17.817 -1.094 1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 587 -15.594 0.001 1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 587 -15.485 -1.674 2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 587 -14.994 -1.285 0.474 1.00 0.00 H new ATOM 786 N GLU A 588 -17.795 0.832 -0.106 1.00 0.00 N ATOM 787 CA GLU A 588 -18.014 1.802 -1.161 1.00 0.00 C ATOM 788 C GLU A 588 -16.687 2.342 -1.655 1.00 0.00 C ATOM 789 O GLU A 588 -15.678 2.231 -0.959 1.00 0.00 O ATOM 790 CB GLU A 588 -18.898 2.958 -0.700 1.00 0.00 C ATOM 791 CG GLU A 588 -20.327 2.549 -0.391 1.00 0.00 C ATOM 792 CD GLU A 588 -21.009 1.929 -1.589 1.00 0.00 C ATOM 793 OE1 GLU A 588 -21.153 2.621 -2.617 1.00 0.00 O ATOM 794 OE2 GLU A 588 -21.376 0.738 -1.516 1.00 0.00 O ATOM 0 H GLU A 588 -17.948 1.185 0.839 1.00 0.00 H new ATOM 0 HA GLU A 588 -18.530 1.289 -1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -18.458 3.408 0.190 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -18.909 3.726 -1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -20.330 1.839 0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -20.892 3.422 -0.064 1.00 0.00 H new ATOM 801 N LYS A 589 -16.693 2.941 -2.827 1.00 0.00 N ATOM 802 CA LYS A 589 -15.461 3.415 -3.452 1.00 0.00 C ATOM 803 C LYS A 589 -14.700 4.379 -2.541 1.00 0.00 C ATOM 804 O LYS A 589 -13.482 4.276 -2.409 1.00 0.00 O ATOM 805 CB LYS A 589 -15.735 4.054 -4.827 1.00 0.00 C ATOM 806 CG LYS A 589 -17.149 4.584 -5.032 1.00 0.00 C ATOM 807 CD LYS A 589 -17.460 5.771 -4.150 1.00 0.00 C ATOM 808 CE LYS A 589 -18.944 6.085 -4.152 1.00 0.00 C ATOM 809 NZ LYS A 589 -19.457 6.398 -5.511 1.00 0.00 N ATOM 0 H LYS A 589 -17.537 3.115 -3.373 1.00 0.00 H new ATOM 0 HA LYS A 589 -14.827 2.543 -3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 589 -15.033 4.875 -4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 589 -15.527 3.315 -5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 589 -17.278 4.869 -6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 589 -17.864 3.787 -4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 589 -17.131 5.566 -3.131 1.00 0.00 H new ATOM 0 HD3 LYS A 589 -16.902 6.641 -4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 589 -19.493 5.235 -3.747 1.00 0.00 H new ATOM 0 HE3 LYS A 589 -19.134 6.931 -3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 -20.449 6.704 -5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 -18.887 7.160 -5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 -19.395 5.550 -6.109 1.00 0.00 H new ATOM 823 N ASP A 590 -15.424 5.282 -1.883 1.00 0.00 N ATOM 824 CA ASP A 590 -14.805 6.254 -0.976 1.00 0.00 C ATOM 825 C ASP A 590 -14.020 5.568 0.136 1.00 0.00 C ATOM 826 O ASP A 590 -12.985 6.071 0.563 1.00 0.00 O ATOM 827 CB ASP A 590 -15.840 7.178 -0.332 1.00 0.00 C ATOM 828 CG ASP A 590 -16.547 8.077 -1.320 1.00 0.00 C ATOM 829 OD1 ASP A 590 -16.024 9.173 -1.621 1.00 0.00 O ATOM 830 OD2 ASP A 590 -17.640 7.706 -1.787 1.00 0.00 O ATOM 0 H ASP A 590 -16.438 5.363 -1.959 1.00 0.00 H new ATOM 0 HA ASP A 590 -14.128 6.844 -1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 590 -16.581 6.572 0.190 1.00 0.00 H new ATOM 0 HB3 ASP A 590 -15.347 7.795 0.419 1.00 0.00 H new ATOM 835 N GLU A 591 -14.511 4.422 0.606 1.00 0.00 N ATOM 836 CA GLU A 591 -13.835 3.693 1.674 1.00 0.00 C ATOM 837 C GLU A 591 -12.444 3.286 1.216 1.00 0.00 C ATOM 838 O GLU A 591 -11.454 3.465 1.931 1.00 0.00 O ATOM 839 CB GLU A 591 -14.642 2.458 2.083 1.00 0.00 C ATOM 840 CG GLU A 591 -16.064 2.767 2.524 1.00 0.00 C ATOM 841 CD GLU A 591 -16.131 3.897 3.532 1.00 0.00 C ATOM 842 OE1 GLU A 591 -15.773 3.673 4.706 1.00 0.00 O ATOM 843 OE2 GLU A 591 -16.545 5.014 3.152 1.00 0.00 O ATOM 0 H GLU A 591 -15.367 3.983 0.267 1.00 0.00 H new ATOM 0 HA GLU A 591 -13.750 4.345 2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -14.676 1.764 1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -14.123 1.950 2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -16.662 3.028 1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -16.508 1.871 2.958 1.00 0.00 H new ATOM 850 N PHE A 592 -12.375 2.763 0.001 1.00 0.00 N ATOM 851 CA PHE A 592 -11.102 2.420 -0.601 1.00 0.00 C ATOM 852 C PHE A 592 -10.306 3.685 -0.866 1.00 0.00 C ATOM 853 O PHE A 592 -9.104 3.723 -0.652 1.00 0.00 O ATOM 854 CB PHE A 592 -11.297 1.669 -1.914 1.00 0.00 C ATOM 855 CG PHE A 592 -12.113 0.416 -1.802 1.00 0.00 C ATOM 856 CD1 PHE A 592 -11.515 -0.777 -1.459 1.00 0.00 C ATOM 857 CD2 PHE A 592 -13.475 0.435 -2.042 1.00 0.00 C ATOM 858 CE1 PHE A 592 -12.261 -1.940 -1.356 1.00 0.00 C ATOM 859 CE2 PHE A 592 -14.226 -0.720 -1.944 1.00 0.00 C ATOM 860 CZ PHE A 592 -13.619 -1.908 -1.597 1.00 0.00 C ATOM 0 H PHE A 592 -13.187 2.568 -0.585 1.00 0.00 H new ATOM 0 HA PHE A 592 -10.563 1.774 0.092 1.00 0.00 H new ATOM 0 HB2 PHE A 592 -11.776 2.336 -2.631 1.00 0.00 H new ATOM 0 HB3 PHE A 592 -10.318 1.414 -2.320 1.00 0.00 H new ATOM 0 HD1 PHE A 592 -10.452 -0.806 -1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 592 -13.957 1.364 -2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 592 -11.781 -2.869 -1.088 1.00 0.00 H new ATOM 0 HE2 PHE A 592 -15.288 -0.692 -2.139 1.00 0.00 H new ATOM 0 HZ PHE A 592 -14.205 -2.811 -1.514 1.00 0.00 H new ATOM 870 N GLU A 593 -10.993 4.727 -1.302 1.00 0.00 N ATOM 871 CA GLU A 593 -10.349 5.988 -1.635 1.00 0.00 C ATOM 872 C GLU A 593 -9.610 6.569 -0.433 1.00 0.00 C ATOM 873 O GLU A 593 -8.500 7.081 -0.574 1.00 0.00 O ATOM 874 CB GLU A 593 -11.388 6.976 -2.162 1.00 0.00 C ATOM 875 CG GLU A 593 -11.797 6.706 -3.599 1.00 0.00 C ATOM 876 CD GLU A 593 -10.644 6.864 -4.567 1.00 0.00 C ATOM 877 OE1 GLU A 593 -10.383 8.006 -5.005 1.00 0.00 O ATOM 878 OE2 GLU A 593 -9.990 5.855 -4.902 1.00 0.00 O ATOM 0 H GLU A 593 -12.004 4.725 -1.435 1.00 0.00 H new ATOM 0 HA GLU A 593 -9.609 5.802 -2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 593 -12.272 6.937 -1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 593 -10.988 7.987 -2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 593 -12.197 5.695 -3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 593 -12.599 7.388 -3.880 1.00 0.00 H new ATOM 885 N HIS A 594 -10.212 6.473 0.746 1.00 0.00 N ATOM 886 CA HIS A 594 -9.535 6.887 1.971 1.00 0.00 C ATOM 887 C HIS A 594 -8.327 5.997 2.227 1.00 0.00 C ATOM 888 O HIS A 594 -7.248 6.477 2.580 1.00 0.00 O ATOM 889 CB HIS A 594 -10.468 6.823 3.183 1.00 0.00 C ATOM 890 CG HIS A 594 -11.614 7.787 3.144 1.00 0.00 C ATOM 891 ND1 HIS A 594 -11.450 9.153 3.159 1.00 0.00 N ATOM 892 CD2 HIS A 594 -12.951 7.574 3.097 1.00 0.00 C ATOM 893 CE1 HIS A 594 -12.632 9.737 3.125 1.00 0.00 C ATOM 894 NE2 HIS A 594 -13.560 8.803 3.086 1.00 0.00 N ATOM 0 H HIS A 594 -11.158 6.116 0.881 1.00 0.00 H new ATOM 0 HA HIS A 594 -9.217 7.921 1.834 1.00 0.00 H new ATOM 0 HB2 HIS A 594 -10.865 5.811 3.265 1.00 0.00 H new ATOM 0 HB3 HIS A 594 -9.884 7.011 4.084 1.00 0.00 H new ATOM 0 HD2 HIS A 594 -13.446 6.614 3.073 1.00 0.00 H new ATOM 0 HE1 HIS A 594 -12.809 10.802 3.129 1.00 0.00 H new ATOM 0 HE2 HIS A 594 -14.566 8.967 3.053 1.00 0.00 H new ATOM 903 N LYS A 595 -8.523 4.695 2.029 1.00 0.00 N ATOM 904 CA LYS A 595 -7.464 3.713 2.213 1.00 0.00 C ATOM 905 C LYS A 595 -6.312 4.009 1.260 1.00 0.00 C ATOM 906 O LYS A 595 -5.139 3.846 1.605 1.00 0.00 O ATOM 907 CB LYS A 595 -8.010 2.316 1.924 1.00 0.00 C ATOM 908 CG LYS A 595 -7.238 1.176 2.578 1.00 0.00 C ATOM 909 CD LYS A 595 -7.594 1.010 4.051 1.00 0.00 C ATOM 910 CE LYS A 595 -6.639 1.760 4.957 1.00 0.00 C ATOM 911 NZ LYS A 595 -7.023 1.651 6.391 1.00 0.00 N ATOM 0 H LYS A 595 -9.416 4.296 1.738 1.00 0.00 H new ATOM 0 HA LYS A 595 -7.105 3.763 3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 595 -9.047 2.271 2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 595 -8.015 2.160 0.845 1.00 0.00 H new ATOM 0 HG2 LYS A 595 -7.448 0.247 2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 595 -6.168 1.363 2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 595 -8.610 1.368 4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 595 -7.582 -0.049 4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 595 -5.630 1.370 4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 595 -6.616 2.811 4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 -6.168 1.685 6.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 -7.650 2.441 6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 -7.519 0.751 6.550 1.00 0.00 H new ATOM 925 N ARG A 596 -6.675 4.440 0.054 1.00 0.00 N ATOM 926 CA ARG A 596 -5.716 4.765 -0.986 1.00 0.00 C ATOM 927 C ARG A 596 -4.809 5.889 -0.523 1.00 0.00 C ATOM 928 O ARG A 596 -3.590 5.769 -0.585 1.00 0.00 O ATOM 929 CB ARG A 596 -6.445 5.167 -2.274 1.00 0.00 C ATOM 930 CG ARG A 596 -5.547 5.222 -3.502 1.00 0.00 C ATOM 931 CD ARG A 596 -6.358 5.181 -4.794 1.00 0.00 C ATOM 932 NE ARG A 596 -7.261 6.327 -4.936 1.00 0.00 N ATOM 933 CZ ARG A 596 -6.887 7.537 -5.353 1.00 0.00 C ATOM 934 NH1 ARG A 596 -5.611 7.798 -5.612 1.00 0.00 N ATOM 935 NH2 ARG A 596 -7.793 8.491 -5.502 1.00 0.00 N ATOM 0 H ARG A 596 -7.647 4.572 -0.225 1.00 0.00 H new ATOM 0 HA ARG A 596 -5.108 3.884 -1.192 1.00 0.00 H new ATOM 0 HB2 ARG A 596 -7.253 4.459 -2.459 1.00 0.00 H new ATOM 0 HB3 ARG A 596 -6.905 6.144 -2.129 1.00 0.00 H new ATOM 0 HG2 ARG A 596 -4.949 6.133 -3.476 1.00 0.00 H new ATOM 0 HG3 ARG A 596 -4.851 4.384 -3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 596 -5.677 5.154 -5.644 1.00 0.00 H new ATOM 0 HD3 ARG A 596 -6.940 4.260 -4.823 1.00 0.00 H new ATOM 0 HE ARG A 596 -8.244 6.189 -4.699 1.00 0.00 H new ATOM 0 HH11 ARG A 596 -4.907 7.070 -5.492 1.00 0.00 H new ATOM 0 HH12 ARG A 596 -5.335 8.727 -5.931 1.00 0.00 H new ATOM 0 HH21 ARG A 596 -8.774 8.299 -5.298 1.00 0.00 H new ATOM 0 HH22 ARG A 596 -7.510 9.418 -5.821 1.00 0.00 H new ATOM 949 N LYS A 597 -5.417 6.960 -0.018 1.00 0.00 N ATOM 950 CA LYS A 597 -4.667 8.126 0.437 1.00 0.00 C ATOM 951 C LYS A 597 -3.669 7.729 1.512 1.00 0.00 C ATOM 952 O LYS A 597 -2.511 8.145 1.491 1.00 0.00 O ATOM 953 CB LYS A 597 -5.607 9.207 0.986 1.00 0.00 C ATOM 954 CG LYS A 597 -6.793 9.537 0.087 1.00 0.00 C ATOM 955 CD LYS A 597 -6.384 9.659 -1.373 1.00 0.00 C ATOM 956 CE LYS A 597 -5.327 10.724 -1.583 1.00 0.00 C ATOM 957 NZ LYS A 597 -4.884 10.796 -3.000 1.00 0.00 N ATOM 0 H LYS A 597 -6.428 7.044 0.086 1.00 0.00 H new ATOM 0 HA LYS A 597 -4.131 8.531 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -5.983 8.883 1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -5.032 10.118 1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -7.551 8.761 0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -7.248 10.471 0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -6.005 8.699 -1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -7.261 9.896 -1.976 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -5.722 11.693 -1.277 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -4.469 10.514 -0.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -4.595 11.769 -3.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -4.079 10.153 -3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -5.668 10.516 -3.623 1.00 0.00 H new ATOM 971 N GLU A 598 -4.127 6.900 2.436 1.00 0.00 N ATOM 972 CA GLU A 598 -3.290 6.408 3.516 1.00 0.00 C ATOM 973 C GLU A 598 -2.091 5.632 2.972 1.00 0.00 C ATOM 974 O GLU A 598 -0.941 5.890 3.344 1.00 0.00 O ATOM 975 CB GLU A 598 -4.112 5.505 4.423 1.00 0.00 C ATOM 976 CG GLU A 598 -5.127 6.250 5.269 1.00 0.00 C ATOM 977 CD GLU A 598 -6.007 5.313 6.069 1.00 0.00 C ATOM 978 OE1 GLU A 598 -6.947 4.734 5.492 1.00 0.00 O ATOM 979 OE2 GLU A 598 -5.751 5.136 7.279 1.00 0.00 O ATOM 0 H GLU A 598 -5.085 6.551 2.458 1.00 0.00 H new ATOM 0 HA GLU A 598 -2.918 7.263 4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -4.633 4.768 3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -3.438 4.955 5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -4.605 6.924 5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -5.751 6.868 4.624 1.00 0.00 H new ATOM 986 N LEU A 599 -2.375 4.682 2.087 1.00 0.00 N ATOM 987 CA LEU A 599 -1.337 3.856 1.481 1.00 0.00 C ATOM 988 C LEU A 599 -0.342 4.745 0.733 1.00 0.00 C ATOM 989 O LEU A 599 0.867 4.568 0.850 1.00 0.00 O ATOM 990 CB LEU A 599 -1.977 2.819 0.534 1.00 0.00 C ATOM 991 CG LEU A 599 -1.085 1.649 0.079 1.00 0.00 C ATOM 992 CD1 LEU A 599 0.022 2.113 -0.851 1.00 0.00 C ATOM 993 CD2 LEU A 599 -0.499 0.914 1.273 1.00 0.00 C ATOM 0 H LEU A 599 -3.321 4.464 1.772 1.00 0.00 H new ATOM 0 HA LEU A 599 -0.798 3.317 2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -2.855 2.404 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -2.329 3.343 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 599 -1.720 0.959 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.629 1.258 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -0.416 2.574 -1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 599 0.649 2.841 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 599 0.127 0.093 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 599 0.104 1.603 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -1.307 0.518 1.889 1.00 0.00 H new ATOM 1005 N GLU A 600 -0.856 5.707 -0.021 1.00 0.00 N ATOM 1006 CA GLU A 600 -0.006 6.622 -0.776 1.00 0.00 C ATOM 1007 C GLU A 600 0.965 7.353 0.143 1.00 0.00 C ATOM 1008 O GLU A 600 2.153 7.434 -0.147 1.00 0.00 O ATOM 1009 CB GLU A 600 -0.843 7.636 -1.559 1.00 0.00 C ATOM 1010 CG GLU A 600 -1.789 6.995 -2.561 1.00 0.00 C ATOM 1011 CD GLU A 600 -2.369 7.989 -3.542 1.00 0.00 C ATOM 1012 OE1 GLU A 600 -1.725 8.236 -4.583 1.00 0.00 O ATOM 1013 OE2 GLU A 600 -3.468 8.522 -3.286 1.00 0.00 O ATOM 0 H GLU A 600 -1.856 5.875 -0.127 1.00 0.00 H new ATOM 0 HA GLU A 600 0.566 6.023 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 600 -1.422 8.237 -0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 600 -0.175 8.317 -2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 600 -1.257 6.218 -3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 600 -2.602 6.506 -2.024 1.00 0.00 H new ATOM 1020 N GLN A 601 0.467 7.868 1.259 1.00 0.00 N ATOM 1021 CA GLN A 601 1.301 8.615 2.184 1.00 0.00 C ATOM 1022 C GLN A 601 2.338 7.740 2.890 1.00 0.00 C ATOM 1023 O GLN A 601 3.347 8.255 3.372 1.00 0.00 O ATOM 1024 CB GLN A 601 0.414 9.322 3.190 1.00 0.00 C ATOM 1025 CG GLN A 601 -0.589 10.227 2.514 1.00 0.00 C ATOM 1026 CD GLN A 601 0.063 11.418 1.833 1.00 0.00 C ATOM 1027 OE1 GLN A 601 0.428 11.351 0.660 1.00 0.00 O ATOM 1028 NE2 GLN A 601 0.212 12.516 2.554 1.00 0.00 N ATOM 0 H GLN A 601 -0.509 7.781 1.543 1.00 0.00 H new ATOM 0 HA GLN A 601 1.869 9.346 1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 601 -0.112 8.583 3.794 1.00 0.00 H new ATOM 0 HB3 GLN A 601 1.032 9.908 3.871 1.00 0.00 H new ATOM 0 HG2 GLN A 601 -1.150 9.654 1.776 1.00 0.00 H new ATOM 0 HG3 GLN A 601 -1.306 10.584 3.253 1.00 0.00 H new ATOM 0 HE21 GLN A 601 -0.103 12.536 3.524 1.00 0.00 H new ATOM 0 HE22 GLN A 601 0.641 13.343 2.140 1.00 0.00 H new ATOM 1037 N VAL A 602 2.098 6.430 2.980 1.00 0.00 N ATOM 1038 CA VAL A 602 3.101 5.532 3.560 1.00 0.00 C ATOM 1039 C VAL A 602 4.239 5.273 2.563 1.00 0.00 C ATOM 1040 O VAL A 602 5.413 5.272 2.931 1.00 0.00 O ATOM 1041 CB VAL A 602 2.494 4.182 4.038 1.00 0.00 C ATOM 1042 CG1 VAL A 602 2.413 3.164 2.919 1.00 0.00 C ATOM 1043 CG2 VAL A 602 3.294 3.611 5.196 1.00 0.00 C ATOM 0 H VAL A 602 1.240 5.975 2.667 1.00 0.00 H new ATOM 0 HA VAL A 602 3.498 6.038 4.440 1.00 0.00 H new ATOM 0 HB VAL A 602 1.478 4.394 4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 602 1.983 2.238 3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 602 1.785 3.553 2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 602 3.413 2.968 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 602 2.851 2.667 5.514 1.00 0.00 H new ATOM 0 HG22 VAL A 602 4.323 3.441 4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 602 3.283 4.315 6.028 1.00 0.00 H new ATOM 1053 N CYS A 603 3.876 5.071 1.297 1.00 0.00 N ATOM 1054 CA CYS A 603 4.843 4.741 0.253 1.00 0.00 C ATOM 1055 C CYS A 603 5.520 5.989 -0.301 1.00 0.00 C ATOM 1056 O CYS A 603 6.643 5.926 -0.779 1.00 0.00 O ATOM 1057 CB CYS A 603 4.162 3.969 -0.881 1.00 0.00 C ATOM 1058 SG CYS A 603 2.634 4.718 -1.480 1.00 0.00 S ATOM 0 H CYS A 603 2.912 5.131 0.969 1.00 0.00 H new ATOM 0 HA CYS A 603 5.612 4.114 0.705 1.00 0.00 H new ATOM 0 HB2 CYS A 603 4.860 3.880 -1.714 1.00 0.00 H new ATOM 0 HB3 CYS A 603 3.946 2.958 -0.537 1.00 0.00 H new ATOM 0 HG CYS A 603 1.734 4.676 -0.543 1.00 0.00 H new ATOM 1064 N ASN A 604 4.825 7.119 -0.243 1.00 0.00 N ATOM 1065 CA ASN A 604 5.337 8.382 -0.791 1.00 0.00 C ATOM 1066 C ASN A 604 6.767 8.698 -0.316 1.00 0.00 C ATOM 1067 O ASN A 604 7.641 8.947 -1.147 1.00 0.00 O ATOM 1068 CB ASN A 604 4.397 9.539 -0.428 1.00 0.00 C ATOM 1069 CG ASN A 604 4.886 10.879 -0.935 1.00 0.00 C ATOM 1070 OD1 ASN A 604 5.438 10.984 -2.031 1.00 0.00 O ATOM 1071 ND2 ASN A 604 4.707 11.910 -0.125 1.00 0.00 N ATOM 0 H ASN A 604 3.899 7.192 0.179 1.00 0.00 H new ATOM 0 HA ASN A 604 5.375 8.265 -1.874 1.00 0.00 H new ATOM 0 HB2 ASN A 604 3.408 9.340 -0.840 1.00 0.00 H new ATOM 0 HB3 ASN A 604 4.287 9.585 0.656 1.00 0.00 H new ATOM 0 HD21 ASN A 604 5.032 12.837 -0.400 1.00 0.00 H new ATOM 0 HD22 ASN A 604 4.244 11.778 0.774 1.00 0.00 H new ATOM 1078 N PRO A 605 7.049 8.681 1.012 1.00 0.00 N ATOM 1079 CA PRO A 605 8.395 8.970 1.530 1.00 0.00 C ATOM 1080 C PRO A 605 9.440 7.989 1.011 1.00 0.00 C ATOM 1081 O PRO A 605 10.621 8.317 0.902 1.00 0.00 O ATOM 1082 CB PRO A 605 8.235 8.833 3.046 1.00 0.00 C ATOM 1083 CG PRO A 605 6.786 9.057 3.273 1.00 0.00 C ATOM 1084 CD PRO A 605 6.113 8.399 2.114 1.00 0.00 C ATOM 0 HA PRO A 605 8.748 9.952 1.215 1.00 0.00 H new ATOM 0 HB2 PRO A 605 8.546 7.848 3.393 1.00 0.00 H new ATOM 0 HB3 PRO A 605 8.841 9.565 3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 605 6.462 8.622 4.218 1.00 0.00 H new ATOM 0 HG3 PRO A 605 6.552 10.121 3.315 1.00 0.00 H new ATOM 0 HD2 PRO A 605 5.981 7.329 2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 605 5.124 8.817 1.926 1.00 0.00 H new ATOM 1092 N ILE A 606 8.985 6.797 0.673 1.00 0.00 N ATOM 1093 CA ILE A 606 9.856 5.749 0.179 1.00 0.00 C ATOM 1094 C ILE A 606 10.046 5.895 -1.336 1.00 0.00 C ATOM 1095 O ILE A 606 11.153 5.745 -1.848 1.00 0.00 O ATOM 1096 CB ILE A 606 9.293 4.354 0.549 1.00 0.00 C ATOM 1097 CG1 ILE A 606 8.658 3.673 -0.660 1.00 0.00 C ATOM 1098 CG2 ILE A 606 8.292 4.468 1.694 1.00 0.00 C ATOM 1099 CD1 ILE A 606 7.704 2.560 -0.310 1.00 0.00 C ATOM 0 H ILE A 606 8.003 6.529 0.733 1.00 0.00 H new ATOM 0 HA ILE A 606 10.833 5.845 0.653 1.00 0.00 H new ATOM 0 HB ILE A 606 10.126 3.733 0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 606 8.126 4.422 -1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 606 9.449 3.273 -1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 606 7.907 3.479 1.940 1.00 0.00 H new ATOM 0 HG22 ILE A 606 8.786 4.893 2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 606 7.467 5.114 1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 606 7.297 2.129 -1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 606 8.234 1.789 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 606 6.891 2.956 0.298 1.00 0.00 H new ATOM 1111 N ILE A 607 8.957 6.226 -2.030 1.00 0.00 N ATOM 1112 CA ILE A 607 8.966 6.426 -3.474 1.00 0.00 C ATOM 1113 C ILE A 607 9.850 7.622 -3.839 1.00 0.00 C ATOM 1114 O ILE A 607 10.443 7.669 -4.916 1.00 0.00 O ATOM 1115 CB ILE A 607 7.511 6.617 -4.004 1.00 0.00 C ATOM 1116 CG1 ILE A 607 6.953 5.299 -4.568 1.00 0.00 C ATOM 1117 CG2 ILE A 607 7.419 7.718 -5.048 1.00 0.00 C ATOM 1118 CD1 ILE A 607 6.787 4.201 -3.540 1.00 0.00 C ATOM 0 H ILE A 607 8.041 6.363 -1.602 1.00 0.00 H new ATOM 0 HA ILE A 607 9.384 5.540 -3.951 1.00 0.00 H new ATOM 0 HB ILE A 607 6.903 6.921 -3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 607 5.986 5.496 -5.031 1.00 0.00 H new ATOM 0 HG13 ILE A 607 7.617 4.945 -5.356 1.00 0.00 H new ATOM 0 HG21 ILE A 607 6.387 7.813 -5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 607 7.746 8.662 -4.611 1.00 0.00 H new ATOM 0 HG23 ILE A 607 8.058 7.470 -5.896 1.00 0.00 H new ATOM 0 HD11 ILE A 607 6.389 3.308 -4.022 1.00 0.00 H new ATOM 0 HD12 ILE A 607 7.754 3.971 -3.093 1.00 0.00 H new ATOM 0 HD13 ILE A 607 6.098 4.531 -2.763 1.00 0.00 H new ATOM 1130 N SER A 608 9.960 8.565 -2.908 1.00 0.00 N ATOM 1131 CA SER A 608 10.824 9.728 -3.076 1.00 0.00 C ATOM 1132 C SER A 608 12.287 9.300 -3.218 1.00 0.00 C ATOM 1133 O SER A 608 13.120 10.048 -3.734 1.00 0.00 O ATOM 1134 CB SER A 608 10.664 10.675 -1.879 1.00 0.00 C ATOM 1135 OG SER A 608 11.383 11.883 -2.071 1.00 0.00 O ATOM 0 H SER A 608 9.456 8.545 -2.021 1.00 0.00 H new ATOM 0 HA SER A 608 10.530 10.250 -3.987 1.00 0.00 H new ATOM 0 HB2 SER A 608 9.608 10.899 -1.730 1.00 0.00 H new ATOM 0 HB3 SER A 608 11.016 10.181 -0.973 1.00 0.00 H new ATOM 0 HG SER A 608 11.259 12.465 -1.292 1.00 0.00 H new ATOM 1141 N GLY A 609 12.592 8.093 -2.762 1.00 0.00 N ATOM 1142 CA GLY A 609 13.941 7.582 -2.860 1.00 0.00 C ATOM 1143 C GLY A 609 14.016 6.342 -3.726 1.00 0.00 C ATOM 1144 O GLY A 609 14.883 5.491 -3.531 1.00 0.00 O ATOM 0 H GLY A 609 11.925 7.458 -2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 609 14.592 8.353 -3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 609 14.315 7.351 -1.862 1.00 0.00 H new ATOM 1148 N LEU A 610 13.094 6.232 -4.672 1.00 0.00 N ATOM 1149 CA LEU A 610 13.058 5.102 -5.586 1.00 0.00 C ATOM 1150 C LEU A 610 13.296 5.566 -7.019 1.00 0.00 C ATOM 1151 O LEU A 610 14.442 5.434 -7.505 1.00 0.00 O ATOM 1152 CB LEU A 610 11.717 4.375 -5.473 1.00 0.00 C ATOM 1153 CG LEU A 610 11.501 3.598 -4.170 1.00 0.00 C ATOM 1154 CD1 LEU A 610 10.168 2.869 -4.199 1.00 0.00 C ATOM 1155 CD2 LEU A 610 12.639 2.613 -3.932 1.00 0.00 C ATOM 1156 OXT LEU A 610 12.349 6.092 -7.645 1.00 0.00 O ATOM 0 H LEU A 610 12.356 6.919 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 610 13.854 4.409 -5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 610 10.916 5.107 -5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 610 11.627 3.682 -6.309 1.00 0.00 H new ATOM 0 HG LEU A 610 11.489 4.312 -3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 610 10.032 2.323 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 610 9.361 3.592 -4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 610 10.154 2.169 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 610 12.464 2.073 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 610 12.686 1.905 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 610 13.582 3.156 -3.865 1.00 0.00 H new TER 1168 LEU A 610