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 37:sc= 0.113 USER MOD Single : A 539 LYS NZ :NH3+ 137:sc= 1.19 (180deg=-0.0535) USER MOD Single : A 540 ASN : amide:sc= -0.0279 K(o=-0.028,f=-1.1!) USER MOD Single : A 544 SER OG : rot 80:sc= 1.02 USER MOD Single : A 545 TYR OH : rot 180:sc= -0.267 USER MOD Single : A 548 ASN : amide:sc=-0.00365 K(o=-0.0037,f=-0.93) USER MOD Single : A 549 MET CE :methyl 139:sc= -1.52 (180deg=-2.79!) USER MOD Single : A 550 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0232) USER MOD Single : A 551 SER OG : rot 81:sc= 1.24 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 180:sc= 0 USER MOD Single : A 567 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.388) USER MOD Single : A 568 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0419) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 573 LYS NZ :NH3+ -135:sc= -1.66! (180deg=-4.88!) USER MOD Single : A 574 CYS SG : rot -120:sc= -2.37! USER MOD Single : A 575 GLN : amide:sc= -0.534 X(o=-0.53,f=-0.13) USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 584 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 585 THR OG1 : rot -54:sc= 0.176 USER MOD Single : A 589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 HIS : no HD1:sc= -0.0299 X(o=-0.03,f=-0.0015) USER MOD Single : A 595 LYS NZ :NH3+ 171:sc= 1.3 (180deg=1.18) USER MOD Single : A 597 LYS NZ :NH3+ 136:sc= 0.419 (180deg=0.00201) USER MOD Single : A 601 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 603 CYS SG : rot -79:sc= -2.58! 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 -14.258 -0.097 -8.957 1.00 0.00 N ATOM 2 CA SER A 537 -13.078 -0.967 -8.768 1.00 0.00 C ATOM 3 C SER A 537 -12.054 -0.308 -7.846 1.00 0.00 C ATOM 4 O SER A 537 -10.847 -0.438 -8.058 1.00 0.00 O ATOM 5 CB SER A 537 -12.433 -1.267 -10.117 1.00 0.00 C ATOM 6 OG SER A 537 -13.366 -1.839 -11.019 1.00 0.00 O ATOM 0 HA SER A 537 -13.411 -1.897 -8.306 1.00 0.00 H new ATOM 0 HB2 SER A 537 -12.030 -0.348 -10.542 1.00 0.00 H new ATOM 0 HB3 SER A 537 -11.594 -1.949 -9.978 1.00 0.00 H new ATOM 0 HG SER A 537 -14.245 -1.426 -10.886 1.00 0.00 H new ATOM 12 N ALA A 538 -12.524 0.391 -6.818 1.00 0.00 N ATOM 13 CA ALA A 538 -11.619 1.039 -5.881 1.00 0.00 C ATOM 14 C ALA A 538 -10.813 -0.004 -5.115 1.00 0.00 C ATOM 15 O ALA A 538 -9.640 0.205 -4.823 1.00 0.00 O ATOM 16 CB ALA A 538 -12.379 1.945 -4.923 1.00 0.00 C ATOM 0 H ALA A 538 -13.515 0.521 -6.615 1.00 0.00 H new ATOM 0 HA ALA A 538 -10.928 1.662 -6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -11.678 2.416 -4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -12.904 2.714 -5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -13.100 1.354 -4.359 1.00 0.00 H new ATOM 22 N LYS A 539 -11.437 -1.137 -4.816 1.00 0.00 N ATOM 23 CA LYS A 539 -10.755 -2.218 -4.110 1.00 0.00 C ATOM 24 C LYS A 539 -9.693 -2.829 -5.013 1.00 0.00 C ATOM 25 O LYS A 539 -8.576 -3.118 -4.589 1.00 0.00 O ATOM 26 CB LYS A 539 -11.756 -3.288 -3.667 1.00 0.00 C ATOM 27 CG LYS A 539 -11.168 -4.316 -2.711 1.00 0.00 C ATOM 28 CD LYS A 539 -10.926 -5.650 -3.391 1.00 0.00 C ATOM 29 CE LYS A 539 -10.028 -6.524 -2.539 1.00 0.00 C ATOM 30 NZ LYS A 539 -9.895 -7.901 -3.080 1.00 0.00 N ATOM 0 H LYS A 539 -12.410 -1.332 -5.050 1.00 0.00 H new ATOM 0 HA LYS A 539 -10.276 -1.811 -3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 539 -12.605 -2.802 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 539 -12.139 -3.802 -4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 539 -10.229 -3.939 -2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 539 -11.845 -4.456 -1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 539 -11.877 -6.155 -3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 539 -10.468 -5.490 -4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 539 -9.041 -6.067 -2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 539 -10.428 -6.572 -1.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 -8.901 -8.202 -3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 -10.487 -8.551 -2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 -10.204 -7.915 -4.073 1.00 0.00 H new ATOM 44 N ASN A 540 -10.073 -3.011 -6.266 1.00 0.00 N ATOM 45 CA ASN A 540 -9.192 -3.547 -7.295 1.00 0.00 C ATOM 46 C ASN A 540 -7.951 -2.670 -7.435 1.00 0.00 C ATOM 47 O ASN A 540 -6.820 -3.164 -7.446 1.00 0.00 O ATOM 48 CB ASN A 540 -9.970 -3.583 -8.612 1.00 0.00 C ATOM 49 CG ASN A 540 -9.341 -4.446 -9.687 1.00 0.00 C ATOM 50 OD1 ASN A 540 -8.129 -4.654 -9.725 1.00 0.00 O ATOM 51 ND2 ASN A 540 -10.180 -4.944 -10.582 1.00 0.00 N ATOM 0 H ASN A 540 -11.010 -2.790 -6.603 1.00 0.00 H new ATOM 0 HA ASN A 540 -8.864 -4.551 -7.026 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -10.978 -3.947 -8.415 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -10.067 -2.565 -8.991 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -9.828 -5.526 -11.342 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -11.178 -4.745 -10.511 1.00 0.00 H new ATOM 58 N ALA A 541 -8.178 -1.362 -7.514 1.00 0.00 N ATOM 59 CA ALA A 541 -7.093 -0.397 -7.616 1.00 0.00 C ATOM 60 C ALA A 541 -6.263 -0.386 -6.342 1.00 0.00 C ATOM 61 O ALA A 541 -5.037 -0.380 -6.391 1.00 0.00 O ATOM 62 CB ALA A 541 -7.640 0.995 -7.896 1.00 0.00 C ATOM 0 H ALA A 541 -9.110 -0.947 -7.509 1.00 0.00 H new ATOM 0 HA ALA A 541 -6.452 -0.694 -8.446 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -6.814 1.703 -7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -8.194 0.986 -8.835 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -8.304 1.295 -7.085 1.00 0.00 H new ATOM 68 N LEU A 542 -6.947 -0.410 -5.204 1.00 0.00 N ATOM 69 CA LEU A 542 -6.296 -0.365 -3.902 1.00 0.00 C ATOM 70 C LEU A 542 -5.362 -1.545 -3.706 1.00 0.00 C ATOM 71 O LEU A 542 -4.222 -1.377 -3.270 1.00 0.00 O ATOM 72 CB LEU A 542 -7.344 -0.370 -2.796 1.00 0.00 C ATOM 73 CG LEU A 542 -7.359 0.869 -1.912 1.00 0.00 C ATOM 74 CD1 LEU A 542 -6.022 1.046 -1.211 1.00 0.00 C ATOM 75 CD2 LEU A 542 -7.677 2.088 -2.742 1.00 0.00 C ATOM 0 H LEU A 542 -7.965 -0.461 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 542 -5.709 0.552 -3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 542 -8.328 -0.484 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 542 -7.180 -1.244 -2.166 1.00 0.00 H new ATOM 0 HG LEU A 542 -8.130 0.744 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 542 -6.055 1.937 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 542 -5.818 0.173 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 542 -5.233 1.154 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 542 -7.686 2.971 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 542 -6.920 2.208 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 542 -8.655 1.967 -3.207 1.00 0.00 H new ATOM 87 N GLU A 543 -5.844 -2.734 -4.027 1.00 0.00 N ATOM 88 CA GLU A 543 -5.064 -3.933 -3.837 1.00 0.00 C ATOM 89 C GLU A 543 -3.838 -3.914 -4.723 1.00 0.00 C ATOM 90 O GLU A 543 -2.728 -4.148 -4.257 1.00 0.00 O ATOM 91 CB GLU A 543 -5.897 -5.166 -4.133 1.00 0.00 C ATOM 92 CG GLU A 543 -5.684 -6.257 -3.109 1.00 0.00 C ATOM 93 CD GLU A 543 -6.353 -7.552 -3.503 1.00 0.00 C ATOM 94 OE1 GLU A 543 -6.126 -8.028 -4.635 1.00 0.00 O ATOM 95 OE2 GLU A 543 -7.137 -8.086 -2.697 1.00 0.00 O ATOM 0 H GLU A 543 -6.772 -2.889 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 543 -4.745 -3.968 -2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -6.952 -4.893 -4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -5.644 -5.545 -5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -4.615 -6.427 -2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -6.073 -5.928 -2.145 1.00 0.00 H new ATOM 102 N SER A 544 -4.040 -3.616 -5.997 1.00 0.00 N ATOM 103 CA SER A 544 -2.934 -3.534 -6.939 1.00 0.00 C ATOM 104 C SER A 544 -1.963 -2.438 -6.526 1.00 0.00 C ATOM 105 O SER A 544 -0.759 -2.568 -6.718 1.00 0.00 O ATOM 106 CB SER A 544 -3.449 -3.267 -8.349 1.00 0.00 C ATOM 107 OG SER A 544 -4.497 -4.167 -8.682 1.00 0.00 O ATOM 0 H SER A 544 -4.957 -3.427 -6.402 1.00 0.00 H new ATOM 0 HA SER A 544 -2.410 -4.490 -6.932 1.00 0.00 H new ATOM 0 HB2 SER A 544 -3.808 -2.240 -8.422 1.00 0.00 H new ATOM 0 HB3 SER A 544 -2.633 -3.371 -9.065 1.00 0.00 H new ATOM 0 HG SER A 544 -5.336 -3.853 -8.285 1.00 0.00 H new ATOM 113 N TYR A 545 -2.498 -1.371 -5.943 1.00 0.00 N ATOM 114 CA TYR A 545 -1.682 -0.260 -5.476 1.00 0.00 C ATOM 115 C TYR A 545 -0.813 -0.719 -4.309 1.00 0.00 C ATOM 116 O TYR A 545 0.403 -0.524 -4.309 1.00 0.00 O ATOM 117 CB TYR A 545 -2.582 0.905 -5.037 1.00 0.00 C ATOM 118 CG TYR A 545 -1.861 2.226 -4.858 1.00 0.00 C ATOM 119 CD1 TYR A 545 -0.834 2.364 -3.938 1.00 0.00 C ATOM 120 CD2 TYR A 545 -2.215 3.335 -5.611 1.00 0.00 C ATOM 121 CE1 TYR A 545 -0.177 3.565 -3.771 1.00 0.00 C ATOM 122 CE2 TYR A 545 -1.563 4.544 -5.452 1.00 0.00 C ATOM 123 CZ TYR A 545 -0.541 4.653 -4.533 1.00 0.00 C ATOM 124 OH TYR A 545 0.112 5.854 -4.373 1.00 0.00 O ATOM 0 H TYR A 545 -3.498 -1.253 -5.783 1.00 0.00 H new ATOM 0 HA TYR A 545 -1.040 0.080 -6.288 1.00 0.00 H new ATOM 0 HB2 TYR A 545 -3.373 1.035 -5.776 1.00 0.00 H new ATOM 0 HB3 TYR A 545 -3.065 0.639 -4.097 1.00 0.00 H new ATOM 0 HD1 TYR A 545 -0.542 1.514 -3.340 1.00 0.00 H new ATOM 0 HD2 TYR A 545 -3.013 3.253 -6.334 1.00 0.00 H new ATOM 0 HE1 TYR A 545 0.619 3.652 -3.046 1.00 0.00 H new ATOM 0 HE2 TYR A 545 -1.853 5.399 -6.045 1.00 0.00 H new ATOM 0 HH TYR A 545 -0.267 6.517 -4.988 1.00 0.00 H new ATOM 134 N ALA A 546 -1.441 -1.355 -3.331 1.00 0.00 N ATOM 135 CA ALA A 546 -0.732 -1.842 -2.161 1.00 0.00 C ATOM 136 C ALA A 546 0.238 -2.951 -2.542 1.00 0.00 C ATOM 137 O ALA A 546 1.391 -2.958 -2.109 1.00 0.00 O ATOM 138 CB ALA A 546 -1.721 -2.318 -1.108 1.00 0.00 C ATOM 0 H ALA A 546 -2.443 -1.545 -3.326 1.00 0.00 H new ATOM 0 HA ALA A 546 -0.151 -1.022 -1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -1.177 -2.681 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -2.367 -1.490 -0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -2.329 -3.125 -1.518 1.00 0.00 H new ATOM 144 N PHE A 547 -0.235 -3.874 -3.373 1.00 0.00 N ATOM 145 CA PHE A 547 0.602 -4.947 -3.894 1.00 0.00 C ATOM 146 C PHE A 547 1.812 -4.369 -4.617 1.00 0.00 C ATOM 147 O PHE A 547 2.919 -4.890 -4.516 1.00 0.00 O ATOM 148 CB PHE A 547 -0.184 -5.826 -4.867 1.00 0.00 C ATOM 149 CG PHE A 547 -0.735 -7.087 -4.264 1.00 0.00 C ATOM 150 CD1 PHE A 547 -1.827 -7.052 -3.417 1.00 0.00 C ATOM 151 CD2 PHE A 547 -0.167 -8.316 -4.563 1.00 0.00 C ATOM 152 CE1 PHE A 547 -2.343 -8.215 -2.875 1.00 0.00 C ATOM 153 CE2 PHE A 547 -0.675 -9.481 -4.022 1.00 0.00 C ATOM 154 CZ PHE A 547 -1.766 -9.431 -3.177 1.00 0.00 C ATOM 0 H PHE A 547 -1.200 -3.899 -3.701 1.00 0.00 H new ATOM 0 HA PHE A 547 0.932 -5.553 -3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -1.009 -5.244 -5.277 1.00 0.00 H new ATOM 0 HB3 PHE A 547 0.465 -6.091 -5.702 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -2.283 -6.103 -3.175 1.00 0.00 H new ATOM 0 HD2 PHE A 547 0.683 -8.363 -5.227 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -3.197 -8.171 -2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 547 -0.219 -10.431 -4.260 1.00 0.00 H new ATOM 0 HZ PHE A 547 -2.166 -10.341 -2.754 1.00 0.00 H new ATOM 164 N ASN A 548 1.580 -3.278 -5.334 1.00 0.00 N ATOM 165 CA ASN A 548 2.615 -2.635 -6.139 1.00 0.00 C ATOM 166 C ASN A 548 3.708 -2.047 -5.253 1.00 0.00 C ATOM 167 O ASN A 548 4.889 -2.307 -5.468 1.00 0.00 O ATOM 168 CB ASN A 548 1.984 -1.530 -6.994 1.00 0.00 C ATOM 169 CG ASN A 548 2.803 -1.158 -8.212 1.00 0.00 C ATOM 170 OD1 ASN A 548 4.027 -1.263 -8.219 1.00 0.00 O ATOM 171 ND2 ASN A 548 2.118 -0.717 -9.256 1.00 0.00 N ATOM 0 H ASN A 548 0.673 -2.813 -5.376 1.00 0.00 H new ATOM 0 HA ASN A 548 3.070 -3.385 -6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 548 0.995 -1.854 -7.318 1.00 0.00 H new ATOM 0 HB3 ASN A 548 1.843 -0.642 -6.378 1.00 0.00 H new ATOM 0 HD21 ASN A 548 2.607 -0.448 -10.110 1.00 0.00 H new ATOM 0 HD22 ASN A 548 1.102 -0.646 -9.206 1.00 0.00 H new ATOM 178 N MET A 549 3.315 -1.273 -4.241 1.00 0.00 N ATOM 179 CA MET A 549 4.278 -0.658 -3.337 1.00 0.00 C ATOM 180 C MET A 549 5.039 -1.734 -2.575 1.00 0.00 C ATOM 181 O MET A 549 6.255 -1.655 -2.395 1.00 0.00 O ATOM 182 CB MET A 549 3.554 0.257 -2.357 1.00 0.00 C ATOM 183 CG MET A 549 2.653 1.290 -3.017 1.00 0.00 C ATOM 184 SD MET A 549 3.544 2.527 -3.991 1.00 0.00 S ATOM 185 CE MET A 549 3.739 1.677 -5.554 1.00 0.00 C ATOM 0 H MET A 549 2.340 -1.060 -4.030 1.00 0.00 H new ATOM 0 HA MET A 549 4.987 -0.069 -3.920 1.00 0.00 H new ATOM 0 HB2 MET A 549 2.954 -0.354 -1.682 1.00 0.00 H new ATOM 0 HB3 MET A 549 4.294 0.774 -1.746 1.00 0.00 H new ATOM 0 HG2 MET A 549 1.942 0.777 -3.664 1.00 0.00 H new ATOM 0 HG3 MET A 549 2.074 1.798 -2.246 1.00 0.00 H new ATOM 0 HE1 MET A 549 3.565 2.376 -6.372 1.00 0.00 H new ATOM 0 HE2 MET A 549 4.751 1.278 -5.627 1.00 0.00 H new ATOM 0 HE3 MET A 549 3.021 0.859 -5.616 1.00 0.00 H new ATOM 195 N LYS A 550 4.299 -2.745 -2.148 1.00 0.00 N ATOM 196 CA LYS A 550 4.860 -3.888 -1.446 1.00 0.00 C ATOM 197 C LYS A 550 5.873 -4.625 -2.325 1.00 0.00 C ATOM 198 O LYS A 550 6.956 -4.983 -1.868 1.00 0.00 O ATOM 199 CB LYS A 550 3.708 -4.801 -0.997 1.00 0.00 C ATOM 200 CG LYS A 550 4.094 -6.219 -0.627 1.00 0.00 C ATOM 201 CD LYS A 550 2.981 -6.855 0.181 1.00 0.00 C ATOM 202 CE LYS A 550 3.075 -6.466 1.648 1.00 0.00 C ATOM 203 NZ LYS A 550 3.806 -7.491 2.438 1.00 0.00 N ATOM 0 H LYS A 550 3.289 -2.796 -2.279 1.00 0.00 H new ATOM 0 HA LYS A 550 5.406 -3.554 -0.564 1.00 0.00 H new ATOM 0 HB2 LYS A 550 3.220 -4.342 -0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 550 2.970 -4.843 -1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 550 4.282 -6.802 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 550 5.019 -6.216 -0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 550 2.015 -6.546 -0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 550 3.033 -7.940 0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 550 3.582 -5.505 1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 550 2.073 -6.337 2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 3.911 -7.163 3.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 3.273 -8.384 2.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 4.747 -7.644 2.022 1.00 0.00 H new ATOM 217 N SER A 551 5.529 -4.826 -3.586 1.00 0.00 N ATOM 218 CA SER A 551 6.422 -5.461 -4.539 1.00 0.00 C ATOM 219 C SER A 551 7.652 -4.596 -4.826 1.00 0.00 C ATOM 220 O SER A 551 8.752 -5.119 -4.992 1.00 0.00 O ATOM 221 CB SER A 551 5.659 -5.742 -5.833 1.00 0.00 C ATOM 222 OG SER A 551 4.620 -6.687 -5.622 1.00 0.00 O ATOM 0 H SER A 551 4.627 -4.555 -3.976 1.00 0.00 H new ATOM 0 HA SER A 551 6.777 -6.397 -4.107 1.00 0.00 H new ATOM 0 HB2 SER A 551 5.237 -4.814 -6.218 1.00 0.00 H new ATOM 0 HB3 SER A 551 6.348 -6.118 -6.590 1.00 0.00 H new ATOM 0 HG SER A 551 3.841 -6.236 -5.234 1.00 0.00 H new ATOM 228 N ALA A 552 7.457 -3.279 -4.875 1.00 0.00 N ATOM 229 CA ALA A 552 8.529 -2.352 -5.233 1.00 0.00 C ATOM 230 C ALA A 552 9.636 -2.308 -4.182 1.00 0.00 C ATOM 231 O ALA A 552 10.813 -2.377 -4.513 1.00 0.00 O ATOM 232 CB ALA A 552 7.961 -0.962 -5.461 1.00 0.00 C ATOM 0 H ALA A 552 6.564 -2.829 -4.671 1.00 0.00 H new ATOM 0 HA ALA A 552 8.980 -2.717 -6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 552 8.767 -0.279 -5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 552 7.232 -0.995 -6.270 1.00 0.00 H new ATOM 0 HB3 ALA A 552 7.476 -0.613 -4.549 1.00 0.00 H new ATOM 238 N VAL A 553 9.263 -2.211 -2.916 1.00 0.00 N ATOM 239 CA VAL A 553 10.247 -2.130 -1.838 1.00 0.00 C ATOM 240 C VAL A 553 10.888 -3.484 -1.589 1.00 0.00 C ATOM 241 O VAL A 553 12.073 -3.586 -1.275 1.00 0.00 O ATOM 242 CB VAL A 553 9.603 -1.626 -0.540 1.00 0.00 C ATOM 243 CG1 VAL A 553 9.055 -0.234 -0.764 1.00 0.00 C ATOM 244 CG2 VAL A 553 8.500 -2.570 -0.074 1.00 0.00 C ATOM 0 H VAL A 553 8.292 -2.186 -2.606 1.00 0.00 H new ATOM 0 HA VAL A 553 11.015 -1.422 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 553 10.360 -1.595 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 553 8.596 0.129 0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 553 9.866 0.434 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 553 8.307 -0.261 -1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 553 8.060 -2.189 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 553 7.730 -2.637 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 553 8.920 -3.560 0.106 1.00 0.00 H new ATOM 254 N GLU A 554 10.088 -4.521 -1.744 1.00 0.00 N ATOM 255 CA GLU A 554 10.538 -5.880 -1.538 1.00 0.00 C ATOM 256 C GLU A 554 11.226 -6.433 -2.784 1.00 0.00 C ATOM 257 O GLU A 554 11.620 -7.601 -2.822 1.00 0.00 O ATOM 258 CB GLU A 554 9.341 -6.727 -1.136 1.00 0.00 C ATOM 259 CG GLU A 554 9.392 -7.185 0.308 1.00 0.00 C ATOM 260 CD GLU A 554 10.312 -8.369 0.523 1.00 0.00 C ATOM 261 OE1 GLU A 554 9.908 -9.506 0.202 1.00 0.00 O ATOM 262 OE2 GLU A 554 11.444 -8.172 1.014 1.00 0.00 O ATOM 0 H GLU A 554 9.108 -4.443 -2.016 1.00 0.00 H new ATOM 0 HA GLU A 554 11.282 -5.903 -0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 554 8.428 -6.154 -1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 554 9.287 -7.600 -1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 554 9.723 -6.357 0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 554 8.386 -7.450 0.635 1.00 0.00 H new ATOM 269 N ASP A 555 11.366 -5.588 -3.798 1.00 0.00 N ATOM 270 CA ASP A 555 12.114 -5.945 -4.999 1.00 0.00 C ATOM 271 C ASP A 555 13.586 -6.103 -4.665 1.00 0.00 C ATOM 272 O ASP A 555 14.154 -5.298 -3.935 1.00 0.00 O ATOM 273 CB ASP A 555 11.950 -4.883 -6.086 1.00 0.00 C ATOM 274 CG ASP A 555 12.812 -5.162 -7.300 1.00 0.00 C ATOM 275 OD1 ASP A 555 12.488 -6.096 -8.064 1.00 0.00 O ATOM 276 OD2 ASP A 555 13.826 -4.461 -7.483 1.00 0.00 O ATOM 0 H ASP A 555 10.970 -4.648 -3.813 1.00 0.00 H new ATOM 0 HA ASP A 555 11.718 -6.889 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 555 10.904 -4.836 -6.389 1.00 0.00 H new ATOM 0 HB3 ASP A 555 12.208 -3.906 -5.677 1.00 0.00 H new ATOM 281 N GLU A 556 14.194 -7.139 -5.210 1.00 0.00 N ATOM 282 CA GLU A 556 15.573 -7.479 -4.888 1.00 0.00 C ATOM 283 C GLU A 556 16.575 -6.465 -5.439 1.00 0.00 C ATOM 284 O GLU A 556 17.755 -6.499 -5.086 1.00 0.00 O ATOM 285 CB GLU A 556 15.903 -8.893 -5.370 1.00 0.00 C ATOM 286 CG GLU A 556 15.514 -9.190 -6.815 1.00 0.00 C ATOM 287 CD GLU A 556 16.548 -8.740 -7.826 1.00 0.00 C ATOM 288 OE1 GLU A 556 17.512 -9.498 -8.061 1.00 0.00 O ATOM 289 OE2 GLU A 556 16.394 -7.648 -8.408 1.00 0.00 O ATOM 0 H GLU A 556 13.754 -7.766 -5.883 1.00 0.00 H new ATOM 0 HA GLU A 556 15.665 -7.446 -3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 556 16.974 -9.058 -5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 556 15.400 -9.609 -4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 556 15.352 -10.262 -6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 556 14.566 -8.700 -7.035 1.00 0.00 H new ATOM 296 N GLY A 557 16.113 -5.569 -6.295 1.00 0.00 N ATOM 297 CA GLY A 557 16.972 -4.511 -6.777 1.00 0.00 C ATOM 298 C GLY A 557 16.685 -3.212 -6.064 1.00 0.00 C ATOM 299 O GLY A 557 17.597 -2.489 -5.661 1.00 0.00 O ATOM 0 H GLY A 557 15.162 -5.555 -6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 557 18.015 -4.789 -6.628 1.00 0.00 H new ATOM 0 HA3 GLY A 557 16.827 -4.381 -7.849 1.00 0.00 H new ATOM 303 N LEU A 558 15.405 -2.928 -5.878 1.00 0.00 N ATOM 304 CA LEU A 558 14.976 -1.711 -5.209 1.00 0.00 C ATOM 305 C LEU A 558 15.188 -1.787 -3.707 1.00 0.00 C ATOM 306 O LEU A 558 15.126 -0.772 -3.015 1.00 0.00 O ATOM 307 CB LEU A 558 13.519 -1.414 -5.535 1.00 0.00 C ATOM 308 CG LEU A 558 13.302 -0.701 -6.869 1.00 0.00 C ATOM 309 CD1 LEU A 558 11.909 -0.984 -7.404 1.00 0.00 C ATOM 310 CD2 LEU A 558 13.506 0.794 -6.703 1.00 0.00 C ATOM 0 H LEU A 558 14.640 -3.530 -6.184 1.00 0.00 H new ATOM 0 HA LEU A 558 15.593 -0.893 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 558 12.963 -2.352 -5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 558 13.099 -0.802 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 558 14.031 -1.079 -7.586 1.00 0.00 H new ATOM 0 HD11 LEU A 558 11.773 -0.468 -8.354 1.00 0.00 H new ATOM 0 HD12 LEU A 558 11.787 -2.057 -7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 558 11.166 -0.630 -6.689 1.00 0.00 H new ATOM 0 HD21 LEU A 558 13.349 1.291 -7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 558 12.795 1.179 -5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 558 14.521 0.986 -6.357 1.00 0.00 H new ATOM 322 N LYS A 559 15.471 -2.983 -3.203 1.00 0.00 N ATOM 323 CA LYS A 559 15.786 -3.149 -1.790 1.00 0.00 C ATOM 324 C LYS A 559 17.122 -2.485 -1.460 1.00 0.00 C ATOM 325 O LYS A 559 17.480 -2.331 -0.291 1.00 0.00 O ATOM 326 CB LYS A 559 15.815 -4.633 -1.389 1.00 0.00 C ATOM 327 CG LYS A 559 16.882 -5.462 -2.093 1.00 0.00 C ATOM 328 CD LYS A 559 17.017 -6.842 -1.467 1.00 0.00 C ATOM 329 CE LYS A 559 17.438 -6.754 -0.007 1.00 0.00 C ATOM 330 NZ LYS A 559 17.641 -8.094 0.602 1.00 0.00 N ATOM 0 H LYS A 559 15.489 -3.845 -3.747 1.00 0.00 H new ATOM 0 HA LYS A 559 14.997 -2.663 -1.216 1.00 0.00 H new ATOM 0 HB2 LYS A 559 15.973 -4.701 -0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 559 14.839 -5.071 -1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 559 16.629 -5.563 -3.148 1.00 0.00 H new ATOM 0 HG3 LYS A 559 17.839 -4.943 -2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 559 16.067 -7.371 -1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 559 17.751 -7.425 -2.024 1.00 0.00 H new ATOM 0 HE2 LYS A 559 18.361 -6.179 0.069 1.00 0.00 H new ATOM 0 HE3 LYS A 559 16.678 -6.213 0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 17.927 -7.984 1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 16.754 -8.635 0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 18.385 -8.602 0.082 1.00 0.00 H new ATOM 344 N GLY A 560 17.857 -2.103 -2.501 1.00 0.00 N ATOM 345 CA GLY A 560 19.094 -1.372 -2.318 1.00 0.00 C ATOM 346 C GLY A 560 18.916 0.114 -2.572 1.00 0.00 C ATOM 347 O GLY A 560 19.845 0.900 -2.396 1.00 0.00 O ATOM 0 H GLY A 560 17.613 -2.290 -3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 560 19.460 -1.526 -1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 560 19.853 -1.767 -2.993 1.00 0.00 H new ATOM 351 N LYS A 561 17.714 0.497 -2.989 1.00 0.00 N ATOM 352 CA LYS A 561 17.397 1.900 -3.242 1.00 0.00 C ATOM 353 C LYS A 561 16.629 2.498 -2.071 1.00 0.00 C ATOM 354 O LYS A 561 16.757 3.684 -1.769 1.00 0.00 O ATOM 355 CB LYS A 561 16.576 2.057 -4.525 1.00 0.00 C ATOM 356 CG LYS A 561 17.366 1.838 -5.805 1.00 0.00 C ATOM 357 CD LYS A 561 16.909 0.591 -6.539 1.00 0.00 C ATOM 358 CE LYS A 561 17.483 0.525 -7.939 1.00 0.00 C ATOM 359 NZ LYS A 561 17.238 -0.790 -8.593 1.00 0.00 N ATOM 0 H LYS A 561 16.941 -0.146 -3.160 1.00 0.00 H new ATOM 0 HA LYS A 561 18.340 2.433 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 561 15.746 1.351 -4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 561 16.144 3.057 -4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 561 17.253 2.705 -6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 561 18.427 1.753 -5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 561 17.213 -0.293 -5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 561 15.820 0.577 -6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 561 17.044 1.317 -8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 561 18.556 0.713 -7.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 17.650 -0.785 -9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 17.679 -1.545 -8.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 16.214 -0.960 -8.658 1.00 0.00 H new ATOM 373 N ILE A 562 15.828 1.674 -1.412 1.00 0.00 N ATOM 374 CA ILE A 562 15.022 2.133 -0.296 1.00 0.00 C ATOM 375 C ILE A 562 15.603 1.633 1.025 1.00 0.00 C ATOM 376 O ILE A 562 16.281 0.603 1.068 1.00 0.00 O ATOM 377 CB ILE A 562 13.558 1.671 -0.444 1.00 0.00 C ATOM 378 CG1 ILE A 562 12.662 2.457 0.493 1.00 0.00 C ATOM 379 CG2 ILE A 562 13.410 0.182 -0.170 1.00 0.00 C ATOM 380 CD1 ILE A 562 11.252 1.936 0.526 1.00 0.00 C ATOM 0 H ILE A 562 15.720 0.684 -1.633 1.00 0.00 H new ATOM 0 HA ILE A 562 15.037 3.223 -0.296 1.00 0.00 H new ATOM 0 HB ILE A 562 13.257 1.856 -1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 562 13.080 2.425 1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 562 12.651 3.503 0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 562 12.365 -0.107 -0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 562 14.021 -0.380 -0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 562 13.738 -0.035 0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 562 10.658 2.538 1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 562 10.820 1.993 -0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 562 11.255 0.899 0.861 1.00 0.00 H new ATOM 392 N SER A 563 15.357 2.380 2.092 1.00 0.00 N ATOM 393 CA SER A 563 15.850 2.018 3.409 1.00 0.00 C ATOM 394 C SER A 563 14.934 0.984 4.059 1.00 0.00 C ATOM 395 O SER A 563 13.761 0.880 3.684 1.00 0.00 O ATOM 396 CB SER A 563 15.951 3.264 4.290 1.00 0.00 C ATOM 397 OG SER A 563 16.598 4.323 3.599 1.00 0.00 O ATOM 0 H SER A 563 14.816 3.244 2.068 1.00 0.00 H new ATOM 0 HA SER A 563 16.842 1.579 3.301 1.00 0.00 H new ATOM 0 HB2 SER A 563 14.954 3.580 4.596 1.00 0.00 H new ATOM 0 HB3 SER A 563 16.503 3.027 5.200 1.00 0.00 H new ATOM 0 HG SER A 563 16.650 5.110 4.181 1.00 0.00 H new ATOM 403 N GLU A 564 15.457 0.227 5.018 1.00 0.00 N ATOM 404 CA GLU A 564 14.695 -0.836 5.665 1.00 0.00 C ATOM 405 C GLU A 564 13.387 -0.307 6.222 1.00 0.00 C ATOM 406 O GLU A 564 12.320 -0.855 5.957 1.00 0.00 O ATOM 407 CB GLU A 564 15.509 -1.442 6.805 1.00 0.00 C ATOM 408 CG GLU A 564 16.864 -1.940 6.365 1.00 0.00 C ATOM 409 CD GLU A 564 16.769 -3.158 5.472 1.00 0.00 C ATOM 410 OE1 GLU A 564 16.282 -4.206 5.941 1.00 0.00 O ATOM 411 OE2 GLU A 564 17.198 -3.082 4.300 1.00 0.00 O ATOM 0 H GLU A 564 16.410 0.331 5.366 1.00 0.00 H new ATOM 0 HA GLU A 564 14.479 -1.597 4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 564 15.640 -0.695 7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 564 14.950 -2.268 7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 564 17.386 -1.144 5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 564 17.462 -2.183 7.244 1.00 0.00 H new ATOM 418 N ALA A 565 13.484 0.790 6.957 1.00 0.00 N ATOM 419 CA ALA A 565 12.338 1.364 7.648 1.00 0.00 C ATOM 420 C ALA A 565 11.199 1.697 6.690 1.00 0.00 C ATOM 421 O ALA A 565 10.038 1.412 6.983 1.00 0.00 O ATOM 422 CB ALA A 565 12.762 2.610 8.401 1.00 0.00 C ATOM 0 H ALA A 565 14.354 1.306 7.091 1.00 0.00 H new ATOM 0 HA ALA A 565 11.968 0.616 8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 565 11.900 3.035 8.916 1.00 0.00 H new ATOM 0 HB2 ALA A 565 13.529 2.351 9.131 1.00 0.00 H new ATOM 0 HB3 ALA A 565 13.162 3.341 7.699 1.00 0.00 H new ATOM 428 N ASP A 566 11.533 2.282 5.544 1.00 0.00 N ATOM 429 CA ASP A 566 10.528 2.652 4.550 1.00 0.00 C ATOM 430 C ASP A 566 9.932 1.411 3.924 1.00 0.00 C ATOM 431 O ASP A 566 8.715 1.273 3.817 1.00 0.00 O ATOM 432 CB ASP A 566 11.136 3.519 3.450 1.00 0.00 C ATOM 433 CG ASP A 566 11.804 4.763 3.989 1.00 0.00 C ATOM 434 OD1 ASP A 566 11.096 5.728 4.343 1.00 0.00 O ATOM 435 OD2 ASP A 566 13.047 4.774 4.074 1.00 0.00 O ATOM 0 H ASP A 566 12.491 2.511 5.279 1.00 0.00 H new ATOM 0 HA ASP A 566 9.751 3.221 5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 566 11.866 2.932 2.893 1.00 0.00 H new ATOM 0 HB3 ASP A 566 10.355 3.807 2.747 1.00 0.00 H new ATOM 440 N LYS A 567 10.812 0.512 3.517 1.00 0.00 N ATOM 441 CA LYS A 567 10.427 -0.767 2.955 1.00 0.00 C ATOM 442 C LYS A 567 9.491 -1.518 3.900 1.00 0.00 C ATOM 443 O LYS A 567 8.436 -1.996 3.496 1.00 0.00 O ATOM 444 CB LYS A 567 11.702 -1.569 2.729 1.00 0.00 C ATOM 445 CG LYS A 567 11.503 -2.927 2.110 1.00 0.00 C ATOM 446 CD LYS A 567 12.815 -3.680 2.094 1.00 0.00 C ATOM 447 CE LYS A 567 12.687 -5.008 1.388 1.00 0.00 C ATOM 448 NZ LYS A 567 13.938 -5.804 1.489 1.00 0.00 N ATOM 0 H LYS A 567 11.821 0.652 3.569 1.00 0.00 H new ATOM 0 HA LYS A 567 9.892 -0.619 2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 567 12.368 -0.990 2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 567 12.208 -1.694 3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 567 10.758 -3.488 2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 567 11.121 -2.822 1.094 1.00 0.00 H new ATOM 0 HD2 LYS A 567 13.575 -3.076 1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 567 13.154 -3.843 3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 567 11.860 -5.572 1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 567 12.445 -4.841 0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 13.967 -6.504 0.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 14.759 -5.171 1.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 13.964 -6.295 2.405 1.00 0.00 H new ATOM 462 N LYS A 568 9.875 -1.582 5.165 1.00 0.00 N ATOM 463 CA LYS A 568 9.101 -2.286 6.175 1.00 0.00 C ATOM 464 C LYS A 568 7.761 -1.606 6.433 1.00 0.00 C ATOM 465 O LYS A 568 6.731 -2.272 6.530 1.00 0.00 O ATOM 466 CB LYS A 568 9.888 -2.361 7.476 1.00 0.00 C ATOM 467 CG LYS A 568 11.126 -3.233 7.386 1.00 0.00 C ATOM 468 CD LYS A 568 11.968 -3.116 8.640 1.00 0.00 C ATOM 469 CE LYS A 568 11.203 -3.557 9.877 1.00 0.00 C ATOM 470 NZ LYS A 568 10.882 -5.010 9.855 1.00 0.00 N ATOM 0 H LYS A 568 10.728 -1.150 5.519 1.00 0.00 H new ATOM 0 HA LYS A 568 8.907 -3.291 5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 568 10.183 -1.354 7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 568 9.239 -2.746 8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 568 10.833 -4.272 7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 568 11.718 -2.941 6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 568 12.866 -3.724 8.532 1.00 0.00 H new ATOM 0 HD3 LYS A 568 12.294 -2.083 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 568 11.792 -3.331 10.766 1.00 0.00 H new ATOM 0 HE3 LYS A 568 10.279 -2.984 9.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 10.467 -5.288 10.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 10.202 -5.204 9.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 11.752 -5.555 9.690 1.00 0.00 H new ATOM 484 N LYS A 569 7.775 -0.279 6.542 1.00 0.00 N ATOM 485 CA LYS A 569 6.572 0.459 6.901 1.00 0.00 C ATOM 486 C LYS A 569 5.526 0.320 5.808 1.00 0.00 C ATOM 487 O LYS A 569 4.352 0.101 6.090 1.00 0.00 O ATOM 488 CB LYS A 569 6.897 1.943 7.161 1.00 0.00 C ATOM 489 CG LYS A 569 7.171 2.759 5.911 1.00 0.00 C ATOM 490 CD LYS A 569 7.698 4.136 6.259 1.00 0.00 C ATOM 491 CE LYS A 569 6.584 5.091 6.648 1.00 0.00 C ATOM 492 NZ LYS A 569 7.119 6.434 6.983 1.00 0.00 N ATOM 0 H LYS A 569 8.600 0.301 6.388 1.00 0.00 H new ATOM 0 HA LYS A 569 6.169 0.038 7.822 1.00 0.00 H new ATOM 0 HB2 LYS A 569 6.063 2.395 7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 569 7.767 2.001 7.815 1.00 0.00 H new ATOM 0 HG2 LYS A 569 7.895 2.237 5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 569 6.255 2.854 5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 569 8.409 4.055 7.081 1.00 0.00 H new ATOM 0 HD3 LYS A 569 8.242 4.542 5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 569 5.871 5.175 5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 569 6.040 4.690 7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 569 6.335 7.065 7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 569 7.781 6.355 7.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 569 7.617 6.825 6.158 1.00 0.00 H new ATOM 506 N VAL A 570 5.961 0.428 4.561 1.00 0.00 N ATOM 507 CA VAL A 570 5.051 0.327 3.444 1.00 0.00 C ATOM 508 C VAL A 570 4.545 -1.109 3.282 1.00 0.00 C ATOM 509 O VAL A 570 3.368 -1.312 3.037 1.00 0.00 O ATOM 510 CB VAL A 570 5.678 0.849 2.131 1.00 0.00 C ATOM 511 CG1 VAL A 570 6.838 -0.019 1.698 1.00 0.00 C ATOM 512 CG2 VAL A 570 4.626 0.931 1.035 1.00 0.00 C ATOM 0 H VAL A 570 6.936 0.585 4.304 1.00 0.00 H new ATOM 0 HA VAL A 570 4.198 0.969 3.664 1.00 0.00 H new ATOM 0 HB VAL A 570 6.064 1.852 2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 570 7.259 0.372 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 570 7.603 -0.017 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 570 6.489 -1.039 1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 570 5.084 1.300 0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 570 4.207 -0.060 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 570 3.832 1.611 1.343 1.00 0.00 H new ATOM 522 N LEU A 571 5.422 -2.100 3.455 1.00 0.00 N ATOM 523 CA LEU A 571 5.014 -3.506 3.367 1.00 0.00 C ATOM 524 C LEU A 571 3.951 -3.826 4.413 1.00 0.00 C ATOM 525 O LEU A 571 2.912 -4.410 4.099 1.00 0.00 O ATOM 526 CB LEU A 571 6.211 -4.440 3.579 1.00 0.00 C ATOM 527 CG LEU A 571 7.211 -4.537 2.430 1.00 0.00 C ATOM 528 CD1 LEU A 571 8.539 -5.070 2.942 1.00 0.00 C ATOM 529 CD2 LEU A 571 6.684 -5.444 1.336 1.00 0.00 C ATOM 0 H LEU A 571 6.412 -1.958 3.655 1.00 0.00 H new ATOM 0 HA LEU A 571 4.605 -3.664 2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 571 6.746 -4.112 4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 571 5.831 -5.440 3.786 1.00 0.00 H new ATOM 0 HG LEU A 571 7.356 -3.539 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 571 9.247 -5.136 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 571 8.932 -4.397 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 571 8.392 -6.060 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 571 7.412 -5.499 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 571 6.515 -6.442 1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 571 5.745 -5.044 0.953 1.00 0.00 H new ATOM 541 N ASP A 572 4.224 -3.431 5.649 1.00 0.00 N ATOM 542 CA ASP A 572 3.314 -3.672 6.763 1.00 0.00 C ATOM 543 C ASP A 572 2.000 -2.939 6.528 1.00 0.00 C ATOM 544 O ASP A 572 0.916 -3.495 6.702 1.00 0.00 O ATOM 545 CB ASP A 572 3.955 -3.197 8.070 1.00 0.00 C ATOM 546 CG ASP A 572 3.255 -3.742 9.300 1.00 0.00 C ATOM 547 OD1 ASP A 572 2.319 -3.084 9.798 1.00 0.00 O ATOM 548 OD2 ASP A 572 3.653 -4.827 9.784 1.00 0.00 O ATOM 0 H ASP A 572 5.078 -2.937 5.908 1.00 0.00 H new ATOM 0 HA ASP A 572 3.113 -4.741 6.835 1.00 0.00 H new ATOM 0 HB2 ASP A 572 5.001 -3.502 8.088 1.00 0.00 H new ATOM 0 HB3 ASP A 572 3.940 -2.108 8.102 1.00 0.00 H new ATOM 553 N LYS A 573 2.116 -1.691 6.098 1.00 0.00 N ATOM 554 CA LYS A 573 0.966 -0.870 5.767 1.00 0.00 C ATOM 555 C LYS A 573 0.178 -1.475 4.606 1.00 0.00 C ATOM 556 O LYS A 573 -1.054 -1.505 4.631 1.00 0.00 O ATOM 557 CB LYS A 573 1.442 0.541 5.429 1.00 0.00 C ATOM 558 CG LYS A 573 0.396 1.418 4.772 1.00 0.00 C ATOM 559 CD LYS A 573 -0.846 1.562 5.614 1.00 0.00 C ATOM 560 CE LYS A 573 -1.783 2.588 5.021 1.00 0.00 C ATOM 561 NZ LYS A 573 -2.983 2.776 5.877 1.00 0.00 N ATOM 0 H LYS A 573 3.012 -1.221 5.969 1.00 0.00 H new ATOM 0 HA LYS A 573 0.295 -0.827 6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 573 1.780 1.025 6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 573 2.306 0.470 4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 573 0.820 2.404 4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 573 0.128 0.995 3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 573 -1.353 0.600 5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 573 -0.571 1.857 6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 573 -1.261 3.538 4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 573 -2.090 2.271 4.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 573 -3.836 2.790 5.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 573 -3.049 1.993 6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 573 -2.905 3.677 6.391 1.00 0.00 H new ATOM 575 N CYS A 574 0.892 -1.947 3.590 1.00 0.00 N ATOM 576 CA CYS A 574 0.271 -2.628 2.459 1.00 0.00 C ATOM 577 C CYS A 574 -0.517 -3.851 2.927 1.00 0.00 C ATOM 578 O CYS A 574 -1.596 -4.140 2.418 1.00 0.00 O ATOM 579 CB CYS A 574 1.324 -3.035 1.421 1.00 0.00 C ATOM 580 SG CYS A 574 1.978 -1.657 0.449 1.00 0.00 S ATOM 0 H CYS A 574 1.907 -1.870 3.526 1.00 0.00 H new ATOM 0 HA CYS A 574 -0.423 -1.932 1.988 1.00 0.00 H new ATOM 0 HB2 CYS A 574 2.150 -3.529 1.932 1.00 0.00 H new ATOM 0 HB3 CYS A 574 0.886 -3.767 0.743 1.00 0.00 H new ATOM 0 HG CYS A 574 1.731 -1.859 -0.811 1.00 0.00 H new ATOM 586 N GLN A 575 0.025 -4.567 3.900 1.00 0.00 N ATOM 587 CA GLN A 575 -0.667 -5.709 4.483 1.00 0.00 C ATOM 588 C GLN A 575 -1.924 -5.261 5.227 1.00 0.00 C ATOM 589 O GLN A 575 -2.943 -5.952 5.206 1.00 0.00 O ATOM 590 CB GLN A 575 0.264 -6.462 5.429 1.00 0.00 C ATOM 591 CG GLN A 575 0.605 -7.866 4.957 1.00 0.00 C ATOM 592 CD GLN A 575 -0.615 -8.764 4.882 1.00 0.00 C ATOM 593 OE1 GLN A 575 -0.990 -9.398 5.864 1.00 0.00 O ATOM 594 NE2 GLN A 575 -1.230 -8.842 3.712 1.00 0.00 N ATOM 0 H GLN A 575 0.943 -4.378 4.304 1.00 0.00 H new ATOM 0 HA GLN A 575 -0.967 -6.376 3.675 1.00 0.00 H new ATOM 0 HB2 GLN A 575 1.186 -5.893 5.547 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -0.202 -6.521 6.413 1.00 0.00 H new ATOM 0 HG2 GLN A 575 1.074 -7.812 3.974 1.00 0.00 H new ATOM 0 HG3 GLN A 575 1.336 -8.307 5.635 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -0.888 -8.299 2.919 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -2.046 -9.445 3.604 1.00 0.00 H new ATOM 603 N GLU A 576 -1.849 -4.102 5.878 1.00 0.00 N ATOM 604 CA GLU A 576 -3.001 -3.534 6.573 1.00 0.00 C ATOM 605 C GLU A 576 -4.150 -3.295 5.603 1.00 0.00 C ATOM 606 O GLU A 576 -5.253 -3.817 5.787 1.00 0.00 O ATOM 607 CB GLU A 576 -2.622 -2.230 7.262 1.00 0.00 C ATOM 608 CG GLU A 576 -3.778 -1.593 8.012 1.00 0.00 C ATOM 609 CD GLU A 576 -4.432 -0.453 7.250 1.00 0.00 C ATOM 610 OE1 GLU A 576 -3.785 0.600 7.077 1.00 0.00 O ATOM 611 OE2 GLU A 576 -5.600 -0.600 6.829 1.00 0.00 O ATOM 0 H GLU A 576 -1.001 -3.538 5.938 1.00 0.00 H new ATOM 0 HA GLU A 576 -3.325 -4.249 7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 576 -1.805 -2.419 7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 576 -2.250 -1.527 6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 576 -4.527 -2.355 8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 576 -3.419 -1.221 8.971 1.00 0.00 H new ATOM 618 N VAL A 577 -3.876 -2.522 4.560 1.00 0.00 N ATOM 619 CA VAL A 577 -4.885 -2.204 3.558 1.00 0.00 C ATOM 620 C VAL A 577 -5.377 -3.465 2.855 1.00 0.00 C ATOM 621 O VAL A 577 -6.577 -3.664 2.710 1.00 0.00 O ATOM 622 CB VAL A 577 -4.367 -1.178 2.517 1.00 0.00 C ATOM 623 CG1 VAL A 577 -2.916 -1.423 2.174 1.00 0.00 C ATOM 624 CG2 VAL A 577 -5.201 -1.208 1.248 1.00 0.00 C ATOM 0 H VAL A 577 -2.962 -2.103 4.386 1.00 0.00 H new ATOM 0 HA VAL A 577 -5.722 -1.748 4.087 1.00 0.00 H new ATOM 0 HB VAL A 577 -4.457 -0.193 2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 577 -2.586 -0.686 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 577 -2.309 -1.336 3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 577 -2.805 -2.424 1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 577 -4.811 -0.477 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 577 -5.155 -2.203 0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 577 -6.236 -0.965 1.487 1.00 0.00 H new ATOM 634 N ILE A 578 -4.449 -4.327 2.458 1.00 0.00 N ATOM 635 CA ILE A 578 -4.792 -5.551 1.748 1.00 0.00 C ATOM 636 C ILE A 578 -5.704 -6.448 2.596 1.00 0.00 C ATOM 637 O ILE A 578 -6.688 -7.001 2.094 1.00 0.00 O ATOM 638 CB ILE A 578 -3.515 -6.297 1.303 1.00 0.00 C ATOM 639 CG1 ILE A 578 -2.965 -5.640 0.030 1.00 0.00 C ATOM 640 CG2 ILE A 578 -3.792 -7.774 1.078 1.00 0.00 C ATOM 641 CD1 ILE A 578 -1.577 -6.086 -0.345 1.00 0.00 C ATOM 0 H ILE A 578 -3.450 -4.199 2.617 1.00 0.00 H new ATOM 0 HA ILE A 578 -5.350 -5.281 0.852 1.00 0.00 H new ATOM 0 HB ILE A 578 -2.768 -6.227 2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 578 -3.640 -5.857 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 578 -2.963 -4.558 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 578 -2.875 -8.273 0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 578 -4.151 -8.222 2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 578 -4.549 -7.888 0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 578 -1.264 -5.574 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 578 -0.886 -5.844 0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 578 -1.574 -7.163 -0.515 1.00 0.00 H new ATOM 653 N SER A 579 -5.409 -6.546 3.887 1.00 0.00 N ATOM 654 CA SER A 579 -6.247 -7.309 4.806 1.00 0.00 C ATOM 655 C SER A 579 -7.628 -6.663 4.936 1.00 0.00 C ATOM 656 O SER A 579 -8.644 -7.351 5.060 1.00 0.00 O ATOM 657 CB SER A 579 -5.573 -7.403 6.181 1.00 0.00 C ATOM 658 OG SER A 579 -6.364 -8.142 7.098 1.00 0.00 O ATOM 0 H SER A 579 -4.597 -6.107 4.321 1.00 0.00 H new ATOM 0 HA SER A 579 -6.373 -8.315 4.406 1.00 0.00 H new ATOM 0 HB2 SER A 579 -4.597 -7.876 6.077 1.00 0.00 H new ATOM 0 HB3 SER A 579 -5.401 -6.400 6.573 1.00 0.00 H new ATOM 0 HG SER A 579 -5.907 -8.185 7.964 1.00 0.00 H new ATOM 664 N TRP A 580 -7.654 -5.338 4.879 1.00 0.00 N ATOM 665 CA TRP A 580 -8.889 -4.578 5.009 1.00 0.00 C ATOM 666 C TRP A 580 -9.714 -4.700 3.736 1.00 0.00 C ATOM 667 O TRP A 580 -10.937 -4.761 3.778 1.00 0.00 O ATOM 668 CB TRP A 580 -8.559 -3.110 5.302 1.00 0.00 C ATOM 669 CG TRP A 580 -9.760 -2.213 5.370 1.00 0.00 C ATOM 670 CD1 TRP A 580 -10.524 -1.939 6.468 1.00 0.00 C ATOM 671 CD2 TRP A 580 -10.333 -1.471 4.287 1.00 0.00 C ATOM 672 NE1 TRP A 580 -11.537 -1.072 6.132 1.00 0.00 N ATOM 673 CE2 TRP A 580 -11.440 -0.770 4.800 1.00 0.00 C ATOM 674 CE3 TRP A 580 -10.014 -1.333 2.933 1.00 0.00 C ATOM 675 CZ2 TRP A 580 -12.230 0.057 4.002 1.00 0.00 C ATOM 676 CZ3 TRP A 580 -10.795 -0.515 2.145 1.00 0.00 C ATOM 677 CH2 TRP A 580 -11.891 0.173 2.681 1.00 0.00 C ATOM 0 H TRP A 580 -6.823 -4.762 4.742 1.00 0.00 H new ATOM 0 HA TRP A 580 -9.476 -4.978 5.836 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -8.021 -3.052 6.248 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -7.885 -2.739 4.529 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -10.357 -2.344 7.455 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -12.246 -0.712 6.771 1.00 0.00 H new ATOM 0 HE3 TRP A 580 -9.170 -1.858 2.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -13.078 0.586 4.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 -10.558 -0.403 1.097 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -12.481 0.809 2.038 1.00 0.00 H new ATOM 688 N LEU A 581 -9.031 -4.744 2.606 1.00 0.00 N ATOM 689 CA LEU A 581 -9.678 -4.893 1.310 1.00 0.00 C ATOM 690 C LEU A 581 -10.483 -6.178 1.249 1.00 0.00 C ATOM 691 O LEU A 581 -11.621 -6.198 0.776 1.00 0.00 O ATOM 692 CB LEU A 581 -8.626 -4.911 0.216 1.00 0.00 C ATOM 693 CG LEU A 581 -7.835 -3.627 0.067 1.00 0.00 C ATOM 694 CD1 LEU A 581 -6.567 -3.901 -0.707 1.00 0.00 C ATOM 695 CD2 LEU A 581 -8.676 -2.579 -0.620 1.00 0.00 C ATOM 0 H LEU A 581 -8.014 -4.678 2.558 1.00 0.00 H new ATOM 0 HA LEU A 581 -10.354 -4.050 1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 581 -7.931 -5.727 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 581 -9.114 -5.132 -0.733 1.00 0.00 H new ATOM 0 HG LEU A 581 -7.563 -3.248 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 581 -5.999 -2.977 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 581 -5.966 -4.637 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 581 -6.820 -4.287 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 581 -8.099 -1.660 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 581 -8.968 -2.937 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 581 -9.569 -2.383 -0.027 1.00 0.00 H new ATOM 707 N ASP A 582 -9.879 -7.254 1.720 1.00 0.00 N ATOM 708 CA ASP A 582 -10.546 -8.549 1.740 1.00 0.00 C ATOM 709 C ASP A 582 -11.652 -8.573 2.793 1.00 0.00 C ATOM 710 O ASP A 582 -12.629 -9.311 2.671 1.00 0.00 O ATOM 711 CB ASP A 582 -9.538 -9.664 2.017 1.00 0.00 C ATOM 712 CG ASP A 582 -10.144 -11.041 1.839 1.00 0.00 C ATOM 713 OD1 ASP A 582 -10.522 -11.384 0.698 1.00 0.00 O ATOM 714 OD2 ASP A 582 -10.260 -11.780 2.835 1.00 0.00 O ATOM 0 H ASP A 582 -8.930 -7.260 2.094 1.00 0.00 H new ATOM 0 HA ASP A 582 -10.995 -8.713 0.761 1.00 0.00 H new ATOM 0 HB2 ASP A 582 -8.685 -9.555 1.347 1.00 0.00 H new ATOM 0 HB3 ASP A 582 -9.159 -9.564 3.034 1.00 0.00 H new ATOM 719 N ALA A 583 -11.502 -7.739 3.810 1.00 0.00 N ATOM 720 CA ALA A 583 -12.435 -7.710 4.927 1.00 0.00 C ATOM 721 C ALA A 583 -13.620 -6.785 4.660 1.00 0.00 C ATOM 722 O ALA A 583 -14.737 -7.037 5.114 1.00 0.00 O ATOM 723 CB ALA A 583 -11.692 -7.273 6.177 1.00 0.00 C ATOM 0 H ALA A 583 -10.737 -7.068 3.885 1.00 0.00 H new ATOM 0 HA ALA A 583 -12.841 -8.712 5.063 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -12.382 -7.248 7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -10.888 -7.978 6.387 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -11.272 -6.279 6.022 1.00 0.00 H new ATOM 729 N ASN A 584 -13.375 -5.725 3.908 1.00 0.00 N ATOM 730 CA ASN A 584 -14.402 -4.744 3.585 1.00 0.00 C ATOM 731 C ASN A 584 -14.535 -4.602 2.078 1.00 0.00 C ATOM 732 O ASN A 584 -14.543 -3.497 1.544 1.00 0.00 O ATOM 733 CB ASN A 584 -14.074 -3.386 4.212 1.00 0.00 C ATOM 734 CG ASN A 584 -14.266 -3.369 5.716 1.00 0.00 C ATOM 735 OD1 ASN A 584 -13.361 -3.716 6.477 1.00 0.00 O ATOM 736 ND2 ASN A 584 -15.447 -2.964 6.156 1.00 0.00 N ATOM 0 H ASN A 584 -12.461 -5.519 3.504 1.00 0.00 H new ATOM 0 HA ASN A 584 -15.349 -5.093 3.996 1.00 0.00 H new ATOM 0 HB2 ASN A 584 -13.042 -3.124 3.980 1.00 0.00 H new ATOM 0 HB3 ASN A 584 -14.706 -2.621 3.761 1.00 0.00 H new ATOM 0 HD21 ASN A 584 -15.634 -2.931 7.158 1.00 0.00 H new ATOM 0 HD22 ASN A 584 -16.170 -2.685 5.493 1.00 0.00 H new ATOM 743 N THR A 585 -14.631 -5.732 1.399 1.00 0.00 N ATOM 744 CA THR A 585 -14.789 -5.761 -0.042 1.00 0.00 C ATOM 745 C THR A 585 -16.072 -5.054 -0.483 1.00 0.00 C ATOM 746 O THR A 585 -16.176 -4.566 -1.609 1.00 0.00 O ATOM 747 CB THR A 585 -14.827 -7.216 -0.518 1.00 0.00 C ATOM 748 OG1 THR A 585 -14.222 -8.058 0.478 1.00 0.00 O ATOM 749 CG2 THR A 585 -14.072 -7.364 -1.817 1.00 0.00 C ATOM 0 H THR A 585 -14.601 -6.655 1.833 1.00 0.00 H new ATOM 0 HA THR A 585 -13.943 -5.236 -0.485 1.00 0.00 H new ATOM 0 HB THR A 585 -15.865 -7.509 -0.675 1.00 0.00 H new ATOM 0 HG1 THR A 585 -13.326 -7.723 0.689 1.00 0.00 H new ATOM 0 HG21 THR A 585 -14.108 -8.404 -2.142 1.00 0.00 H new ATOM 0 HG22 THR A 585 -14.528 -6.730 -2.577 1.00 0.00 H new ATOM 0 HG23 THR A 585 -13.034 -7.065 -1.671 1.00 0.00 H new ATOM 757 N LEU A 586 -17.035 -4.985 0.424 1.00 0.00 N ATOM 758 CA LEU A 586 -18.342 -4.424 0.118 1.00 0.00 C ATOM 759 C LEU A 586 -18.385 -2.940 0.458 1.00 0.00 C ATOM 760 O LEU A 586 -19.438 -2.306 0.392 1.00 0.00 O ATOM 761 CB LEU A 586 -19.448 -5.171 0.870 1.00 0.00 C ATOM 762 CG LEU A 586 -19.548 -6.680 0.596 1.00 0.00 C ATOM 763 CD1 LEU A 586 -19.370 -6.987 -0.879 1.00 0.00 C ATOM 764 CD2 LEU A 586 -18.543 -7.461 1.415 1.00 0.00 C ATOM 0 H LEU A 586 -16.934 -5.313 1.384 1.00 0.00 H new ATOM 0 HA LEU A 586 -18.513 -4.541 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 586 -19.295 -5.025 1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 586 -20.404 -4.712 0.619 1.00 0.00 H new ATOM 0 HG LEU A 586 -20.549 -6.992 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 586 -19.446 -8.063 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 586 -20.145 -6.479 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 586 -18.390 -6.640 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 586 -18.642 -8.524 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 586 -17.535 -7.132 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 586 -18.727 -7.291 2.476 1.00 0.00 H new ATOM 776 N ALA A 587 -17.240 -2.391 0.840 1.00 0.00 N ATOM 777 CA ALA A 587 -17.135 -0.965 1.126 1.00 0.00 C ATOM 778 C ALA A 587 -17.416 -0.151 -0.129 1.00 0.00 C ATOM 779 O ALA A 587 -17.301 -0.650 -1.253 1.00 0.00 O ATOM 780 CB ALA A 587 -15.751 -0.621 1.659 1.00 0.00 C ATOM 0 H ALA A 587 -16.370 -2.911 0.959 1.00 0.00 H new ATOM 0 HA ALA A 587 -17.875 -0.719 1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 587 -15.696 0.448 1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 587 -15.566 -1.178 2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 587 -14.999 -0.886 0.916 1.00 0.00 H new ATOM 786 N GLU A 588 -17.791 1.099 0.066 1.00 0.00 N ATOM 787 CA GLU A 588 -18.018 2.002 -1.051 1.00 0.00 C ATOM 788 C GLU A 588 -16.697 2.619 -1.487 1.00 0.00 C ATOM 789 O GLU A 588 -15.688 2.463 -0.797 1.00 0.00 O ATOM 790 CB GLU A 588 -19.024 3.085 -0.677 1.00 0.00 C ATOM 791 CG GLU A 588 -20.415 2.547 -0.406 1.00 0.00 C ATOM 792 CD GLU A 588 -21.400 3.646 -0.082 1.00 0.00 C ATOM 793 OE1 GLU A 588 -21.528 3.998 1.105 1.00 0.00 O ATOM 794 OE2 GLU A 588 -22.042 4.168 -1.017 1.00 0.00 O ATOM 0 H GLU A 588 -17.945 1.514 0.985 1.00 0.00 H new ATOM 0 HA GLU A 588 -18.435 1.435 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -18.667 3.612 0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -19.076 3.816 -1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -20.765 1.994 -1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -20.374 1.842 0.424 1.00 0.00 H new ATOM 801 N LYS A 589 -16.708 3.333 -2.606 1.00 0.00 N ATOM 802 CA LYS A 589 -15.470 3.791 -3.231 1.00 0.00 C ATOM 803 C LYS A 589 -14.639 4.623 -2.264 1.00 0.00 C ATOM 804 O LYS A 589 -13.437 4.422 -2.142 1.00 0.00 O ATOM 805 CB LYS A 589 -15.766 4.601 -4.503 1.00 0.00 C ATOM 806 CG LYS A 589 -15.975 6.089 -4.272 1.00 0.00 C ATOM 807 CD LYS A 589 -15.683 6.917 -5.503 1.00 0.00 C ATOM 808 CE LYS A 589 -15.934 8.382 -5.212 1.00 0.00 C ATOM 809 NZ LYS A 589 -15.548 9.260 -6.346 1.00 0.00 N ATOM 0 H LYS A 589 -17.557 3.608 -3.099 1.00 0.00 H new ATOM 0 HA LYS A 589 -14.895 2.907 -3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 589 -14.941 4.468 -5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 589 -16.657 4.192 -4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 589 -17.004 6.263 -3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 589 -15.333 6.420 -3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 589 -14.648 6.771 -5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 589 -16.312 6.589 -6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 589 -16.990 8.529 -4.986 1.00 0.00 H new ATOM 0 HE3 LYS A 589 -15.374 8.674 -4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 -15.739 10.252 -6.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 -14.534 9.142 -6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 -16.100 9.002 -7.189 1.00 0.00 H new ATOM 823 N ASP A 590 -15.304 5.522 -1.551 1.00 0.00 N ATOM 824 CA ASP A 590 -14.615 6.489 -0.692 1.00 0.00 C ATOM 825 C ASP A 590 -13.859 5.812 0.442 1.00 0.00 C ATOM 826 O ASP A 590 -12.858 6.344 0.924 1.00 0.00 O ATOM 827 CB ASP A 590 -15.582 7.525 -0.119 1.00 0.00 C ATOM 828 CG ASP A 590 -16.293 8.327 -1.188 1.00 0.00 C ATOM 829 OD1 ASP A 590 -15.733 9.339 -1.651 1.00 0.00 O ATOM 830 OD2 ASP A 590 -17.425 7.955 -1.561 1.00 0.00 O ATOM 0 H ASP A 590 -16.321 5.606 -1.547 1.00 0.00 H new ATOM 0 HA ASP A 590 -13.892 6.998 -1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 590 -16.323 7.019 0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 590 -15.033 8.205 0.532 1.00 0.00 H new ATOM 835 N GLU A 591 -14.323 4.641 0.865 1.00 0.00 N ATOM 836 CA GLU A 591 -13.634 3.897 1.905 1.00 0.00 C ATOM 837 C GLU A 591 -12.273 3.459 1.384 1.00 0.00 C ATOM 838 O GLU A 591 -11.254 3.592 2.063 1.00 0.00 O ATOM 839 CB GLU A 591 -14.456 2.678 2.339 1.00 0.00 C ATOM 840 CG GLU A 591 -15.869 3.010 2.796 1.00 0.00 C ATOM 841 CD GLU A 591 -15.903 4.057 3.888 1.00 0.00 C ATOM 842 OE1 GLU A 591 -15.595 3.721 5.045 1.00 0.00 O ATOM 843 OE2 GLU A 591 -16.246 5.223 3.594 1.00 0.00 O ATOM 0 H GLU A 591 -15.166 4.192 0.506 1.00 0.00 H new ATOM 0 HA GLU A 591 -13.503 4.539 2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -14.511 1.976 1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -13.933 2.171 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -16.448 3.363 1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -16.352 2.101 3.155 1.00 0.00 H new ATOM 850 N PHE A 592 -12.264 2.970 0.152 1.00 0.00 N ATOM 851 CA PHE A 592 -11.029 2.575 -0.500 1.00 0.00 C ATOM 852 C PHE A 592 -10.229 3.804 -0.896 1.00 0.00 C ATOM 853 O PHE A 592 -9.017 3.815 -0.796 1.00 0.00 O ATOM 854 CB PHE A 592 -11.309 1.741 -1.746 1.00 0.00 C ATOM 855 CG PHE A 592 -12.120 0.512 -1.489 1.00 0.00 C ATOM 856 CD1 PHE A 592 -11.505 -0.655 -1.094 1.00 0.00 C ATOM 857 CD2 PHE A 592 -13.491 0.526 -1.643 1.00 0.00 C ATOM 858 CE1 PHE A 592 -12.247 -1.797 -0.851 1.00 0.00 C ATOM 859 CE2 PHE A 592 -14.238 -0.607 -1.406 1.00 0.00 C ATOM 860 CZ PHE A 592 -13.617 -1.770 -1.008 1.00 0.00 C ATOM 0 H PHE A 592 -13.101 2.838 -0.415 1.00 0.00 H new ATOM 0 HA PHE A 592 -10.458 1.974 0.207 1.00 0.00 H new ATOM 0 HB2 PHE A 592 -11.830 2.361 -2.475 1.00 0.00 H new ATOM 0 HB3 PHE A 592 -10.360 1.449 -2.196 1.00 0.00 H new ATOM 0 HD1 PHE A 592 -10.432 -0.679 -0.973 1.00 0.00 H new ATOM 0 HD2 PHE A 592 -13.984 1.435 -1.953 1.00 0.00 H new ATOM 0 HE1 PHE A 592 -11.755 -2.707 -0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 592 -15.310 -0.583 -1.532 1.00 0.00 H new ATOM 0 HZ PHE A 592 -14.201 -2.659 -0.819 1.00 0.00 H new ATOM 870 N GLU A 593 -10.924 4.843 -1.330 1.00 0.00 N ATOM 871 CA GLU A 593 -10.278 6.071 -1.776 1.00 0.00 C ATOM 872 C GLU A 593 -9.440 6.686 -0.662 1.00 0.00 C ATOM 873 O GLU A 593 -8.346 7.203 -0.902 1.00 0.00 O ATOM 874 CB GLU A 593 -11.339 7.057 -2.270 1.00 0.00 C ATOM 875 CG GLU A 593 -11.937 6.665 -3.614 1.00 0.00 C ATOM 876 CD GLU A 593 -10.909 6.651 -4.726 1.00 0.00 C ATOM 877 OE1 GLU A 593 -10.091 5.712 -4.778 1.00 0.00 O ATOM 878 OE2 GLU A 593 -10.906 7.588 -5.551 1.00 0.00 O ATOM 0 H GLU A 593 -11.942 4.862 -1.384 1.00 0.00 H new ATOM 0 HA GLU A 593 -9.603 5.835 -2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 593 -12.136 7.125 -1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 593 -10.895 8.049 -2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 593 -12.391 5.678 -3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 593 -12.735 7.362 -3.870 1.00 0.00 H new ATOM 885 N HIS A 594 -9.941 6.614 0.560 1.00 0.00 N ATOM 886 CA HIS A 594 -9.173 7.055 1.714 1.00 0.00 C ATOM 887 C HIS A 594 -8.050 6.074 2.011 1.00 0.00 C ATOM 888 O HIS A 594 -6.941 6.478 2.350 1.00 0.00 O ATOM 889 CB HIS A 594 -10.071 7.221 2.942 1.00 0.00 C ATOM 890 CG HIS A 594 -11.016 8.374 2.844 1.00 0.00 C ATOM 891 ND1 HIS A 594 -12.273 8.369 3.408 1.00 0.00 N ATOM 892 CD2 HIS A 594 -10.880 9.578 2.245 1.00 0.00 C ATOM 893 CE1 HIS A 594 -12.869 9.520 3.158 1.00 0.00 C ATOM 894 NE2 HIS A 594 -12.044 10.271 2.454 1.00 0.00 N ATOM 0 H HIS A 594 -10.871 6.257 0.779 1.00 0.00 H new ATOM 0 HA HIS A 594 -8.738 8.026 1.478 1.00 0.00 H new ATOM 0 HB2 HIS A 594 -10.643 6.305 3.089 1.00 0.00 H new ATOM 0 HB3 HIS A 594 -9.444 7.350 3.824 1.00 0.00 H new ATOM 0 HD2 HIS A 594 -10.015 9.929 1.702 1.00 0.00 H new ATOM 0 HE1 HIS A 594 -13.863 9.799 3.476 1.00 0.00 H new ATOM 0 HE2 HIS A 594 -12.240 11.214 2.119 1.00 0.00 H new ATOM 903 N LYS A 595 -8.337 4.783 1.873 1.00 0.00 N ATOM 904 CA LYS A 595 -7.323 3.756 2.032 1.00 0.00 C ATOM 905 C LYS A 595 -6.203 3.981 1.026 1.00 0.00 C ATOM 906 O LYS A 595 -5.027 3.761 1.322 1.00 0.00 O ATOM 907 CB LYS A 595 -7.936 2.379 1.806 1.00 0.00 C ATOM 908 CG LYS A 595 -7.122 1.235 2.387 1.00 0.00 C ATOM 909 CD LYS A 595 -7.448 0.978 3.854 1.00 0.00 C ATOM 910 CE LYS A 595 -6.762 1.955 4.790 1.00 0.00 C ATOM 911 NZ LYS A 595 -6.999 1.614 6.218 1.00 0.00 N ATOM 0 H LYS A 595 -9.267 4.427 1.651 1.00 0.00 H new ATOM 0 HA LYS A 595 -6.921 3.809 3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 595 -8.934 2.361 2.245 1.00 0.00 H new ATOM 0 HB3 LYS A 595 -8.056 2.218 0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 595 -7.311 0.329 1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 595 -6.060 1.461 2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 595 -8.527 1.041 3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 595 -7.150 -0.038 4.115 1.00 0.00 H new ATOM 0 HE2 LYS A 595 -5.690 1.958 4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 595 -7.126 2.963 4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 -6.395 2.208 6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 -7.998 1.783 6.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 -6.771 0.612 6.378 1.00 0.00 H new ATOM 925 N ARG A 596 -6.594 4.424 -0.164 1.00 0.00 N ATOM 926 CA ARG A 596 -5.664 4.742 -1.228 1.00 0.00 C ATOM 927 C ARG A 596 -4.738 5.855 -0.776 1.00 0.00 C ATOM 928 O ARG A 596 -3.530 5.763 -0.947 1.00 0.00 O ATOM 929 CB ARG A 596 -6.428 5.146 -2.500 1.00 0.00 C ATOM 930 CG ARG A 596 -5.568 5.176 -3.753 1.00 0.00 C ATOM 931 CD ARG A 596 -6.379 4.878 -5.013 1.00 0.00 C ATOM 932 NE ARG A 596 -7.414 5.880 -5.293 1.00 0.00 N ATOM 933 CZ ARG A 596 -7.352 6.766 -6.294 1.00 0.00 C ATOM 934 NH1 ARG A 596 -6.251 6.876 -7.029 1.00 0.00 N ATOM 935 NH2 ARG A 596 -8.388 7.558 -6.548 1.00 0.00 N ATOM 0 H ARG A 596 -7.572 4.572 -0.413 1.00 0.00 H new ATOM 0 HA ARG A 596 -5.065 3.861 -1.461 1.00 0.00 H new ATOM 0 HB2 ARG A 596 -7.252 4.449 -2.654 1.00 0.00 H new ATOM 0 HB3 ARG A 596 -6.868 6.132 -2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 596 -5.099 6.156 -3.847 1.00 0.00 H new ATOM 0 HG3 ARG A 596 -4.764 4.446 -3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 596 -5.702 4.818 -5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 596 -6.849 3.900 -4.910 1.00 0.00 H new ATOM 0 HE ARG A 596 -8.233 5.903 -4.686 1.00 0.00 H new ATOM 0 HH11 ARG A 596 -5.445 6.283 -6.832 1.00 0.00 H new ATOM 0 HH12 ARG A 596 -6.212 7.554 -7.790 1.00 0.00 H new ATOM 0 HH21 ARG A 596 -9.232 7.491 -5.980 1.00 0.00 H new ATOM 0 HH22 ARG A 596 -8.339 8.233 -7.311 1.00 0.00 H new ATOM 949 N LYS A 597 -5.313 6.890 -0.166 1.00 0.00 N ATOM 950 CA LYS A 597 -4.527 7.997 0.365 1.00 0.00 C ATOM 951 C LYS A 597 -3.654 7.550 1.525 1.00 0.00 C ATOM 952 O LYS A 597 -2.506 7.964 1.639 1.00 0.00 O ATOM 953 CB LYS A 597 -5.438 9.149 0.792 1.00 0.00 C ATOM 954 CG LYS A 597 -6.211 9.724 -0.368 1.00 0.00 C ATOM 955 CD LYS A 597 -5.322 9.766 -1.583 1.00 0.00 C ATOM 956 CE LYS A 597 -5.959 10.480 -2.743 1.00 0.00 C ATOM 957 NZ LYS A 597 -4.960 10.763 -3.806 1.00 0.00 N ATOM 0 H LYS A 597 -6.319 6.983 -0.028 1.00 0.00 H new ATOM 0 HA LYS A 597 -3.870 8.349 -0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -6.135 8.796 1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -4.837 9.934 1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -7.094 9.117 -0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -6.563 10.727 -0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -4.386 10.262 -1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -5.072 8.748 -1.881 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -6.767 9.872 -3.150 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -6.405 11.414 -2.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -5.369 10.537 -4.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -4.699 11.769 -3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -4.112 10.181 -3.650 1.00 0.00 H new ATOM 971 N GLU A 598 -4.197 6.693 2.367 1.00 0.00 N ATOM 972 CA GLU A 598 -3.448 6.145 3.486 1.00 0.00 C ATOM 973 C GLU A 598 -2.215 5.389 2.998 1.00 0.00 C ATOM 974 O GLU A 598 -1.092 5.638 3.447 1.00 0.00 O ATOM 975 CB GLU A 598 -4.348 5.218 4.294 1.00 0.00 C ATOM 976 CG GLU A 598 -5.275 5.958 5.231 1.00 0.00 C ATOM 977 CD GLU A 598 -4.524 6.598 6.374 1.00 0.00 C ATOM 978 OE1 GLU A 598 -4.065 5.852 7.266 1.00 0.00 O ATOM 979 OE2 GLU A 598 -4.365 7.833 6.377 1.00 0.00 O ATOM 0 H GLU A 598 -5.158 6.359 2.299 1.00 0.00 H new ATOM 0 HA GLU A 598 -3.111 6.967 4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -4.941 4.611 3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -3.728 4.533 4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -5.816 6.725 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -6.019 5.267 5.627 1.00 0.00 H new ATOM 986 N LEU A 599 -2.437 4.476 2.069 1.00 0.00 N ATOM 987 CA LEU A 599 -1.364 3.673 1.511 1.00 0.00 C ATOM 988 C LEU A 599 -0.415 4.569 0.719 1.00 0.00 C ATOM 989 O LEU A 599 0.800 4.443 0.819 1.00 0.00 O ATOM 990 CB LEU A 599 -1.967 2.574 0.626 1.00 0.00 C ATOM 991 CG LEU A 599 -1.063 1.381 0.290 1.00 0.00 C ATOM 992 CD1 LEU A 599 0.004 1.767 -0.715 1.00 0.00 C ATOM 993 CD2 LEU A 599 -0.427 0.804 1.542 1.00 0.00 C ATOM 0 H LEU A 599 -3.359 4.271 1.683 1.00 0.00 H new ATOM 0 HA LEU A 599 -0.792 3.198 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -2.862 2.194 1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -2.289 3.030 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 599 -1.692 0.612 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.629 0.901 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -0.470 2.113 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 599 0.621 2.565 -0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 599 0.208 -0.040 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 599 0.176 1.570 2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -1.207 0.467 2.224 1.00 0.00 H new ATOM 1005 N GLU A 600 -0.986 5.495 -0.036 1.00 0.00 N ATOM 1006 CA GLU A 600 -0.214 6.451 -0.819 1.00 0.00 C ATOM 1007 C GLU A 600 0.754 7.213 0.076 1.00 0.00 C ATOM 1008 O GLU A 600 1.936 7.316 -0.229 1.00 0.00 O ATOM 1009 CB GLU A 600 -1.165 7.435 -1.511 1.00 0.00 C ATOM 1010 CG GLU A 600 -0.488 8.470 -2.397 1.00 0.00 C ATOM 1011 CD GLU A 600 -1.456 9.538 -2.873 1.00 0.00 C ATOM 1012 OE1 GLU A 600 -2.292 9.246 -3.758 1.00 0.00 O ATOM 1013 OE2 GLU A 600 -1.388 10.675 -2.363 1.00 0.00 O ATOM 0 H GLU A 600 -1.996 5.606 -0.124 1.00 0.00 H new ATOM 0 HA GLU A 600 0.360 5.909 -1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 600 -1.873 6.868 -2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 600 -1.744 7.955 -0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 600 0.327 8.940 -1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 600 -0.045 7.973 -3.260 1.00 0.00 H new ATOM 1020 N GLN A 601 0.255 7.727 1.187 1.00 0.00 N ATOM 1021 CA GLN A 601 1.076 8.517 2.091 1.00 0.00 C ATOM 1022 C GLN A 601 2.126 7.675 2.823 1.00 0.00 C ATOM 1023 O GLN A 601 3.126 8.216 3.290 1.00 0.00 O ATOM 1024 CB GLN A 601 0.200 9.288 3.077 1.00 0.00 C ATOM 1025 CG GLN A 601 -0.746 10.252 2.379 1.00 0.00 C ATOM 1026 CD GLN A 601 -1.465 11.186 3.328 1.00 0.00 C ATOM 1027 OE1 GLN A 601 -1.705 10.856 4.490 1.00 0.00 O ATOM 1028 NE2 GLN A 601 -1.829 12.356 2.827 1.00 0.00 N ATOM 0 H GLN A 601 -0.714 7.612 1.485 1.00 0.00 H new ATOM 0 HA GLN A 601 1.627 9.233 1.481 1.00 0.00 H new ATOM 0 HB2 GLN A 601 -0.379 8.583 3.673 1.00 0.00 H new ATOM 0 HB3 GLN A 601 0.836 9.843 3.767 1.00 0.00 H new ATOM 0 HG2 GLN A 601 -0.182 10.843 1.658 1.00 0.00 H new ATOM 0 HG3 GLN A 601 -1.484 9.681 1.816 1.00 0.00 H new ATOM 0 HE21 GLN A 601 -1.609 12.587 1.858 1.00 0.00 H new ATOM 0 HE22 GLN A 601 -2.330 13.027 3.410 1.00 0.00 H new ATOM 1037 N VAL A 602 1.912 6.362 2.941 1.00 0.00 N ATOM 1038 CA VAL A 602 2.940 5.495 3.523 1.00 0.00 C ATOM 1039 C VAL A 602 4.073 5.262 2.516 1.00 0.00 C ATOM 1040 O VAL A 602 5.249 5.283 2.876 1.00 0.00 O ATOM 1041 CB VAL A 602 2.381 4.128 4.015 1.00 0.00 C ATOM 1042 CG1 VAL A 602 2.341 3.092 2.906 1.00 0.00 C ATOM 1043 CG2 VAL A 602 3.207 3.593 5.175 1.00 0.00 C ATOM 0 H VAL A 602 1.059 5.885 2.650 1.00 0.00 H new ATOM 0 HA VAL A 602 3.323 6.016 4.400 1.00 0.00 H new ATOM 0 HB VAL A 602 1.359 4.310 4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 602 1.944 2.155 3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 602 1.701 3.448 2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 602 3.349 2.928 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 602 2.798 2.637 5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 602 4.239 3.455 4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 602 3.176 4.303 6.002 1.00 0.00 H new ATOM 1053 N CYS A 603 3.705 5.051 1.253 1.00 0.00 N ATOM 1054 CA CYS A 603 4.675 4.770 0.200 1.00 0.00 C ATOM 1055 C CYS A 603 5.298 6.053 -0.350 1.00 0.00 C ATOM 1056 O CYS A 603 6.414 6.036 -0.839 1.00 0.00 O ATOM 1057 CB CYS A 603 4.019 3.974 -0.933 1.00 0.00 C ATOM 1058 SG CYS A 603 2.519 4.718 -1.607 1.00 0.00 S ATOM 0 H CYS A 603 2.736 5.070 0.935 1.00 0.00 H new ATOM 0 HA CYS A 603 5.474 4.173 0.640 1.00 0.00 H new ATOM 0 HB2 CYS A 603 4.742 3.853 -1.740 1.00 0.00 H new ATOM 0 HB3 CYS A 603 3.780 2.976 -0.566 1.00 0.00 H new ATOM 0 HG CYS A 603 1.518 4.469 -0.816 1.00 0.00 H new ATOM 1064 N ASN A 604 4.567 7.159 -0.269 1.00 0.00 N ATOM 1065 CA ASN A 604 5.012 8.437 -0.844 1.00 0.00 C ATOM 1066 C ASN A 604 6.442 8.815 -0.420 1.00 0.00 C ATOM 1067 O ASN A 604 7.272 9.103 -1.282 1.00 0.00 O ATOM 1068 CB ASN A 604 4.041 9.562 -0.465 1.00 0.00 C ATOM 1069 CG ASN A 604 4.441 10.903 -1.048 1.00 0.00 C ATOM 1070 OD1 ASN A 604 4.890 10.995 -2.192 1.00 0.00 O ATOM 1071 ND2 ASN A 604 4.308 11.949 -0.251 1.00 0.00 N ATOM 0 H ASN A 604 3.658 7.203 0.191 1.00 0.00 H new ATOM 0 HA ASN A 604 5.020 8.307 -1.926 1.00 0.00 H new ATOM 0 HB2 ASN A 604 3.040 9.304 -0.811 1.00 0.00 H new ATOM 0 HB3 ASN A 604 3.992 9.643 0.621 1.00 0.00 H new ATOM 0 HD21 ASN A 604 4.582 12.876 -0.576 1.00 0.00 H new ATOM 0 HD22 ASN A 604 3.932 11.829 0.689 1.00 0.00 H new ATOM 1078 N PRO A 605 6.773 8.815 0.894 1.00 0.00 N ATOM 1079 CA PRO A 605 8.128 9.153 1.361 1.00 0.00 C ATOM 1080 C PRO A 605 9.179 8.205 0.799 1.00 0.00 C ATOM 1081 O PRO A 605 10.324 8.586 0.560 1.00 0.00 O ATOM 1082 CB PRO A 605 8.031 9.009 2.882 1.00 0.00 C ATOM 1083 CG PRO A 605 6.586 9.186 3.165 1.00 0.00 C ATOM 1084 CD PRO A 605 5.889 8.505 2.031 1.00 0.00 C ATOM 0 HA PRO A 605 8.436 10.147 1.038 1.00 0.00 H new ATOM 0 HB2 PRO A 605 8.387 8.034 3.215 1.00 0.00 H new ATOM 0 HB3 PRO A 605 8.633 9.760 3.394 1.00 0.00 H new ATOM 0 HG2 PRO A 605 6.313 8.741 4.122 1.00 0.00 H new ATOM 0 HG3 PRO A 605 6.319 10.242 3.217 1.00 0.00 H new ATOM 0 HD2 PRO A 605 5.797 7.431 2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 605 4.881 8.892 1.881 1.00 0.00 H new ATOM 1092 N ILE A 606 8.761 6.975 0.564 1.00 0.00 N ATOM 1093 CA ILE A 606 9.641 5.945 0.055 1.00 0.00 C ATOM 1094 C ILE A 606 9.770 6.074 -1.467 1.00 0.00 C ATOM 1095 O ILE A 606 10.859 5.947 -2.019 1.00 0.00 O ATOM 1096 CB ILE A 606 9.132 4.540 0.468 1.00 0.00 C ATOM 1097 CG1 ILE A 606 8.500 3.811 -0.716 1.00 0.00 C ATOM 1098 CG2 ILE A 606 8.139 4.646 1.622 1.00 0.00 C ATOM 1099 CD1 ILE A 606 7.580 2.684 -0.321 1.00 0.00 C ATOM 0 H ILE A 606 7.802 6.664 0.721 1.00 0.00 H new ATOM 0 HA ILE A 606 10.632 6.073 0.491 1.00 0.00 H new ATOM 0 HB ILE A 606 9.991 3.958 0.801 1.00 0.00 H new ATOM 0 HG12 ILE A 606 7.941 4.529 -1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 606 9.293 3.414 -1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 606 7.793 3.650 1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 606 8.626 5.111 2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 606 7.288 5.253 1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 606 7.171 2.217 -1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 606 8.137 1.943 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 606 6.765 3.076 0.288 1.00 0.00 H new ATOM 1111 N ILE A 607 8.650 6.365 -2.126 1.00 0.00 N ATOM 1112 CA ILE A 607 8.606 6.547 -3.571 1.00 0.00 C ATOM 1113 C ILE A 607 9.387 7.795 -3.974 1.00 0.00 C ATOM 1114 O ILE A 607 10.004 7.839 -5.035 1.00 0.00 O ATOM 1115 CB ILE A 607 7.132 6.621 -4.073 1.00 0.00 C ATOM 1116 CG1 ILE A 607 6.680 5.265 -4.627 1.00 0.00 C ATOM 1117 CG2 ILE A 607 6.935 7.708 -5.118 1.00 0.00 C ATOM 1118 CD1 ILE A 607 6.670 4.152 -3.604 1.00 0.00 C ATOM 0 H ILE A 607 7.746 6.481 -1.669 1.00 0.00 H new ATOM 0 HA ILE A 607 9.076 5.685 -4.044 1.00 0.00 H new ATOM 0 HB ILE A 607 6.515 6.878 -3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 607 5.678 5.370 -5.043 1.00 0.00 H new ATOM 0 HG13 ILE A 607 7.338 4.983 -5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 607 5.893 7.721 -5.437 1.00 0.00 H new ATOM 0 HG22 ILE A 607 7.196 8.676 -4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 607 7.575 7.507 -5.977 1.00 0.00 H new ATOM 0 HD11 ILE A 607 6.339 3.227 -4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 607 7.675 4.016 -3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 607 5.989 4.410 -2.793 1.00 0.00 H new ATOM 1130 N SER A 608 9.386 8.794 -3.100 1.00 0.00 N ATOM 1131 CA SER A 608 10.140 10.015 -3.338 1.00 0.00 C ATOM 1132 C SER A 608 11.639 9.721 -3.327 1.00 0.00 C ATOM 1133 O SER A 608 12.439 10.519 -3.813 1.00 0.00 O ATOM 1134 CB SER A 608 9.798 11.071 -2.281 1.00 0.00 C ATOM 1135 OG SER A 608 10.399 12.321 -2.586 1.00 0.00 O ATOM 0 H SER A 608 8.871 8.781 -2.220 1.00 0.00 H new ATOM 0 HA SER A 608 9.867 10.406 -4.318 1.00 0.00 H new ATOM 0 HB2 SER A 608 8.716 11.191 -2.220 1.00 0.00 H new ATOM 0 HB3 SER A 608 10.137 10.732 -1.302 1.00 0.00 H new ATOM 0 HG SER A 608 10.162 12.975 -1.896 1.00 0.00 H new ATOM 1141 N GLY A 609 12.011 8.575 -2.763 1.00 0.00 N ATOM 1142 CA GLY A 609 13.400 8.163 -2.749 1.00 0.00 C ATOM 1143 C GLY A 609 13.665 7.012 -3.703 1.00 0.00 C ATOM 1144 O GLY A 609 14.783 6.505 -3.780 1.00 0.00 O ATOM 0 H GLY A 609 11.369 7.922 -2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 609 14.031 9.010 -3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 609 13.679 7.867 -1.738 1.00 0.00 H new ATOM 1148 N LEU A 610 12.633 6.607 -4.430 1.00 0.00 N ATOM 1149 CA LEU A 610 12.742 5.519 -5.389 1.00 0.00 C ATOM 1150 C LEU A 610 12.707 6.064 -6.809 1.00 0.00 C ATOM 1151 O LEU A 610 11.609 6.168 -7.390 1.00 0.00 O ATOM 1152 CB LEU A 610 11.611 4.504 -5.184 1.00 0.00 C ATOM 1153 CG LEU A 610 11.682 3.699 -3.883 1.00 0.00 C ATOM 1154 CD1 LEU A 610 10.537 2.702 -3.811 1.00 0.00 C ATOM 1155 CD2 LEU A 610 13.019 2.982 -3.768 1.00 0.00 C ATOM 1156 OXT LEU A 610 13.785 6.407 -7.336 1.00 0.00 O ATOM 0 H LEU A 610 11.703 7.021 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 610 13.694 5.013 -5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 610 10.659 5.035 -5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 610 11.613 3.808 -6.023 1.00 0.00 H new ATOM 0 HG LEU A 610 11.591 4.392 -3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 610 10.603 2.139 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 610 9.587 3.236 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 610 10.599 2.016 -4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 610 13.049 2.416 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 610 13.141 2.301 -4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 610 13.826 3.714 -3.774 1.00 0.00 H new TER 1168 LEU A 610