USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 580 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 539 LYS NZ :NH3+ -129:sc= -4! (180deg=-4.36!) USER MOD Single : A 540 ASN : amide:sc= -0.0286 K(o=-0.029,f=-1.8!) USER MOD Single : A 544 SER OG : rot 85:sc= 0.557 USER MOD Single : A 545 TYR OH : rot -139:sc= 0.749 USER MOD Single : A 548 ASN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 549 MET CE :methyl 146:sc= -2.2! (180deg=-2.95!) USER MOD Single : A 550 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 559 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0815) USER MOD Single : A 561 LYS NZ :NH3+ -157:sc= 0.0418 (180deg=-0.324) USER MOD Single : A 563 SER OG : rot 180:sc= 0 USER MOD Single : A 567 LYS NZ :NH3+ 150:sc= -0.44 (180deg=-0.853!) USER MOD Single : A 568 LYS NZ :NH3+ 141:sc= 1.23 (180deg=0.267) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 573 LYS NZ :NH3+ -172:sc= -1.33 (180deg=-1.51) USER MOD Single : A 574 CYS SG : rot -128:sc= -4.32! USER MOD Single : A 575 GLN : amide:sc= -0.625 X(o=-0.62,f=-0.17) USER MOD Single : A 579 SER OG : rot 82:sc= 0.552 USER MOD Single : A 584 ASN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 585 THR OG1 : rot 180:sc= 0.0525 USER MOD Single : A 589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.8!) USER MOD Single : A 595 LYS NZ :NH3+ -167:sc= 1.29 (180deg=0.897) USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 601 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 603 CYS SG : rot -71:sc= -2.83! USER MOD Single : A 604 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 608 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N ALA A 538 -12.532 0.549 -7.479 1.00 0.00 N ATOM 13 CA ALA A 538 -11.642 1.059 -6.443 1.00 0.00 C ATOM 14 C ALA A 538 -10.952 -0.077 -5.706 1.00 0.00 C ATOM 15 O ALA A 538 -9.777 0.028 -5.389 1.00 0.00 O ATOM 16 CB ALA A 538 -12.386 1.950 -5.454 1.00 0.00 C ATOM 0 HA ALA A 538 -10.883 1.663 -6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -11.691 2.312 -4.696 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -12.820 2.798 -5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -13.180 1.377 -4.974 1.00 0.00 H new ATOM 22 N LYS A 539 -11.673 -1.167 -5.451 1.00 0.00 N ATOM 23 CA LYS A 539 -11.102 -2.318 -4.756 1.00 0.00 C ATOM 24 C LYS A 539 -9.869 -2.817 -5.505 1.00 0.00 C ATOM 25 O LYS A 539 -8.813 -3.036 -4.909 1.00 0.00 O ATOM 26 CB LYS A 539 -12.153 -3.439 -4.636 1.00 0.00 C ATOM 27 CG LYS A 539 -11.808 -4.556 -3.651 1.00 0.00 C ATOM 28 CD LYS A 539 -10.718 -5.459 -4.185 1.00 0.00 C ATOM 29 CE LYS A 539 -10.521 -6.695 -3.324 1.00 0.00 C ATOM 30 NZ LYS A 539 -10.392 -6.375 -1.883 1.00 0.00 N ATOM 0 H LYS A 539 -12.652 -1.277 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 539 -10.803 -2.017 -3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 539 -13.102 -2.994 -4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 539 -12.304 -3.880 -5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 539 -11.488 -4.120 -2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 539 -12.700 -5.147 -3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 539 -10.967 -5.763 -5.202 1.00 0.00 H new ATOM 0 HD3 LYS A 539 -9.782 -4.903 -4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 539 -11.364 -7.371 -3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 539 -9.628 -7.225 -3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 -9.543 -6.837 -1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 -10.311 -5.345 -1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 -11.232 -6.718 -1.375 1.00 0.00 H new ATOM 44 N ASN A 540 -10.011 -2.965 -6.815 1.00 0.00 N ATOM 45 CA ASN A 540 -8.937 -3.476 -7.660 1.00 0.00 C ATOM 46 C ASN A 540 -7.754 -2.515 -7.692 1.00 0.00 C ATOM 47 O ASN A 540 -6.608 -2.923 -7.511 1.00 0.00 O ATOM 48 CB ASN A 540 -9.445 -3.714 -9.085 1.00 0.00 C ATOM 49 CG ASN A 540 -10.433 -4.853 -9.194 1.00 0.00 C ATOM 50 OD1 ASN A 540 -11.123 -5.208 -8.235 1.00 0.00 O ATOM 51 ND2 ASN A 540 -10.522 -5.409 -10.382 1.00 0.00 N ATOM 0 H ASN A 540 -10.867 -2.736 -7.320 1.00 0.00 H new ATOM 0 HA ASN A 540 -8.603 -4.422 -7.233 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -9.914 -2.801 -9.452 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -8.595 -3.919 -9.735 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -11.184 -6.169 -10.541 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -9.930 -5.080 -11.145 1.00 0.00 H new ATOM 58 N ALA A 541 -8.040 -1.236 -7.905 1.00 0.00 N ATOM 59 CA ALA A 541 -6.995 -0.219 -7.953 1.00 0.00 C ATOM 60 C ALA A 541 -6.311 -0.092 -6.603 1.00 0.00 C ATOM 61 O ALA A 541 -5.089 0.036 -6.521 1.00 0.00 O ATOM 62 CB ALA A 541 -7.574 1.122 -8.376 1.00 0.00 C ATOM 0 H ALA A 541 -8.985 -0.878 -8.047 1.00 0.00 H new ATOM 0 HA ALA A 541 -6.254 -0.527 -8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -6.780 1.868 -8.406 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -8.022 1.029 -9.365 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -8.336 1.432 -7.660 1.00 0.00 H new ATOM 68 N LEU A 542 -7.111 -0.148 -5.551 1.00 0.00 N ATOM 69 CA LEU A 542 -6.634 0.014 -4.194 1.00 0.00 C ATOM 70 C LEU A 542 -5.701 -1.125 -3.792 1.00 0.00 C ATOM 71 O LEU A 542 -4.612 -0.887 -3.265 1.00 0.00 O ATOM 72 CB LEU A 542 -7.847 0.086 -3.255 1.00 0.00 C ATOM 73 CG LEU A 542 -7.569 0.578 -1.840 1.00 0.00 C ATOM 74 CD1 LEU A 542 -7.010 -0.527 -0.986 1.00 0.00 C ATOM 75 CD2 LEU A 542 -6.605 1.736 -1.889 1.00 0.00 C ATOM 0 H LEU A 542 -8.116 -0.308 -5.619 1.00 0.00 H new ATOM 0 HA LEU A 542 -6.057 0.936 -4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 542 -8.592 0.741 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 542 -8.292 -0.907 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 542 -8.508 0.906 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 542 -6.820 -0.150 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 542 -7.727 -1.347 -0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 542 -6.077 -0.886 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 542 -6.407 2.087 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 542 -5.672 1.413 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 542 -7.039 2.546 -2.476 1.00 0.00 H new ATOM 87 N GLU A 543 -6.118 -2.356 -4.051 1.00 0.00 N ATOM 88 CA GLU A 543 -5.354 -3.515 -3.644 1.00 0.00 C ATOM 89 C GLU A 543 -4.064 -3.618 -4.441 1.00 0.00 C ATOM 90 O GLU A 543 -2.989 -3.801 -3.871 1.00 0.00 O ATOM 91 CB GLU A 543 -6.186 -4.774 -3.821 1.00 0.00 C ATOM 92 CG GLU A 543 -5.654 -5.956 -3.042 1.00 0.00 C ATOM 93 CD GLU A 543 -6.349 -7.242 -3.423 1.00 0.00 C ATOM 94 OE1 GLU A 543 -7.411 -7.538 -2.833 1.00 0.00 O ATOM 95 OE2 GLU A 543 -5.851 -7.946 -4.328 1.00 0.00 O ATOM 0 H GLU A 543 -6.985 -2.573 -4.543 1.00 0.00 H new ATOM 0 HA GLU A 543 -5.095 -3.406 -2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -7.210 -4.572 -3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -6.222 -5.032 -4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -4.583 -6.056 -3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -5.784 -5.776 -1.975 1.00 0.00 H new ATOM 102 N SER A 544 -4.172 -3.481 -5.758 1.00 0.00 N ATOM 103 CA SER A 544 -3.006 -3.530 -6.622 1.00 0.00 C ATOM 104 C SER A 544 -2.056 -2.382 -6.294 1.00 0.00 C ATOM 105 O SER A 544 -0.852 -2.502 -6.473 1.00 0.00 O ATOM 106 CB SER A 544 -3.415 -3.491 -8.092 1.00 0.00 C ATOM 107 OG SER A 544 -4.345 -4.526 -8.388 1.00 0.00 O ATOM 0 H SER A 544 -5.055 -3.335 -6.247 1.00 0.00 H new ATOM 0 HA SER A 544 -2.486 -4.471 -6.444 1.00 0.00 H new ATOM 0 HB2 SER A 544 -3.857 -2.522 -8.325 1.00 0.00 H new ATOM 0 HB3 SER A 544 -2.532 -3.599 -8.722 1.00 0.00 H new ATOM 0 HG SER A 544 -5.251 -4.225 -8.167 1.00 0.00 H new ATOM 113 N TYR A 545 -2.609 -1.270 -5.815 1.00 0.00 N ATOM 114 CA TYR A 545 -1.796 -0.145 -5.373 1.00 0.00 C ATOM 115 C TYR A 545 -0.911 -0.581 -4.210 1.00 0.00 C ATOM 116 O TYR A 545 0.303 -0.368 -4.223 1.00 0.00 O ATOM 117 CB TYR A 545 -2.699 1.017 -4.936 1.00 0.00 C ATOM 118 CG TYR A 545 -2.001 2.355 -4.841 1.00 0.00 C ATOM 119 CD1 TYR A 545 -0.951 2.552 -3.960 1.00 0.00 C ATOM 120 CD2 TYR A 545 -2.395 3.416 -5.639 1.00 0.00 C ATOM 121 CE1 TYR A 545 -0.308 3.768 -3.874 1.00 0.00 C ATOM 122 CE2 TYR A 545 -1.760 4.642 -5.563 1.00 0.00 C ATOM 123 CZ TYR A 545 -0.713 4.813 -4.681 1.00 0.00 C ATOM 124 OH TYR A 545 -0.065 6.027 -4.610 1.00 0.00 O ATOM 0 H TYR A 545 -3.615 -1.126 -5.724 1.00 0.00 H new ATOM 0 HA TYR A 545 -1.168 0.189 -6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 545 -3.526 1.102 -5.641 1.00 0.00 H new ATOM 0 HB3 TYR A 545 -3.132 0.778 -3.965 1.00 0.00 H new ATOM 0 HD1 TYR A 545 -0.630 1.737 -3.328 1.00 0.00 H new ATOM 0 HD2 TYR A 545 -3.212 3.284 -6.333 1.00 0.00 H new ATOM 0 HE1 TYR A 545 0.508 3.903 -3.179 1.00 0.00 H new ATOM 0 HE2 TYR A 545 -2.082 5.460 -6.190 1.00 0.00 H new ATOM 0 HH TYR A 545 -0.722 6.752 -4.663 1.00 0.00 H new ATOM 134 N ALA A 546 -1.525 -1.218 -3.218 1.00 0.00 N ATOM 135 CA ALA A 546 -0.797 -1.708 -2.062 1.00 0.00 C ATOM 136 C ALA A 546 0.161 -2.820 -2.471 1.00 0.00 C ATOM 137 O ALA A 546 1.316 -2.847 -2.051 1.00 0.00 O ATOM 138 CB ALA A 546 -1.772 -2.184 -0.993 1.00 0.00 C ATOM 0 H ALA A 546 -2.527 -1.405 -3.195 1.00 0.00 H new ATOM 0 HA ALA A 546 -0.205 -0.895 -1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -1.216 -2.550 -0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -2.411 -1.355 -0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -2.388 -2.988 -1.395 1.00 0.00 H new ATOM 144 N PHE A 547 -0.326 -3.717 -3.322 1.00 0.00 N ATOM 145 CA PHE A 547 0.499 -4.778 -3.884 1.00 0.00 C ATOM 146 C PHE A 547 1.712 -4.198 -4.602 1.00 0.00 C ATOM 147 O PHE A 547 2.813 -4.733 -4.520 1.00 0.00 O ATOM 148 CB PHE A 547 -0.308 -5.609 -4.879 1.00 0.00 C ATOM 149 CG PHE A 547 -0.907 -6.868 -4.318 1.00 0.00 C ATOM 150 CD1 PHE A 547 -1.977 -6.821 -3.441 1.00 0.00 C ATOM 151 CD2 PHE A 547 -0.415 -8.106 -4.700 1.00 0.00 C ATOM 152 CE1 PHE A 547 -2.539 -7.984 -2.948 1.00 0.00 C ATOM 153 CE2 PHE A 547 -0.969 -9.272 -4.208 1.00 0.00 C ATOM 154 CZ PHE A 547 -2.035 -9.211 -3.333 1.00 0.00 C ATOM 0 H PHE A 547 -1.295 -3.729 -3.639 1.00 0.00 H new ATOM 0 HA PHE A 547 0.833 -5.409 -3.060 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -1.111 -4.990 -5.279 1.00 0.00 H new ATOM 0 HB3 PHE A 547 0.338 -5.874 -5.716 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -2.377 -5.865 -3.138 1.00 0.00 H new ATOM 0 HD2 PHE A 547 0.413 -8.160 -5.392 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -3.372 -7.933 -2.262 1.00 0.00 H new ATOM 0 HE2 PHE A 547 -0.569 -10.229 -4.507 1.00 0.00 H new ATOM 0 HZ PHE A 547 -2.474 -10.121 -2.950 1.00 0.00 H new ATOM 164 N ASN A 548 1.492 -3.091 -5.296 1.00 0.00 N ATOM 165 CA ASN A 548 2.521 -2.463 -6.113 1.00 0.00 C ATOM 166 C ASN A 548 3.639 -1.897 -5.247 1.00 0.00 C ATOM 167 O ASN A 548 4.816 -2.149 -5.501 1.00 0.00 O ATOM 168 CB ASN A 548 1.908 -1.349 -6.966 1.00 0.00 C ATOM 169 CG ASN A 548 2.626 -1.165 -8.286 1.00 0.00 C ATOM 170 OD1 ASN A 548 3.618 -0.436 -8.379 1.00 0.00 O ATOM 171 ND2 ASN A 548 2.108 -1.804 -9.324 1.00 0.00 N ATOM 0 H ASN A 548 0.596 -2.603 -5.309 1.00 0.00 H new ATOM 0 HA ASN A 548 2.947 -3.225 -6.766 1.00 0.00 H new ATOM 0 HB2 ASN A 548 0.859 -1.577 -7.156 1.00 0.00 H new ATOM 0 HB3 ASN A 548 1.935 -0.413 -6.408 1.00 0.00 H new ATOM 0 HD21 ASN A 548 2.530 -1.704 -10.247 1.00 0.00 H new ATOM 0 HD22 ASN A 548 1.287 -2.396 -9.200 1.00 0.00 H new ATOM 178 N MET A 549 3.270 -1.139 -4.214 1.00 0.00 N ATOM 179 CA MET A 549 4.255 -0.547 -3.316 1.00 0.00 C ATOM 180 C MET A 549 4.988 -1.641 -2.555 1.00 0.00 C ATOM 181 O MET A 549 6.210 -1.606 -2.397 1.00 0.00 O ATOM 182 CB MET A 549 3.561 0.392 -2.336 1.00 0.00 C ATOM 183 CG MET A 549 2.664 1.431 -2.995 1.00 0.00 C ATOM 184 SD MET A 549 3.558 2.648 -3.989 1.00 0.00 S ATOM 185 CE MET A 549 3.701 1.782 -5.545 1.00 0.00 C ATOM 0 H MET A 549 2.301 -0.923 -3.981 1.00 0.00 H new ATOM 0 HA MET A 549 4.977 0.020 -3.903 1.00 0.00 H new ATOM 0 HB2 MET A 549 2.963 -0.201 -1.644 1.00 0.00 H new ATOM 0 HB3 MET A 549 4.319 0.906 -1.744 1.00 0.00 H new ATOM 0 HG2 MET A 549 1.939 0.921 -3.629 1.00 0.00 H new ATOM 0 HG3 MET A 549 2.100 1.952 -2.222 1.00 0.00 H new ATOM 0 HE1 MET A 549 3.647 2.497 -6.366 1.00 0.00 H new ATOM 0 HE2 MET A 549 4.656 1.258 -5.583 1.00 0.00 H new ATOM 0 HE3 MET A 549 2.888 1.062 -5.637 1.00 0.00 H new ATOM 195 N LYS A 550 4.216 -2.615 -2.102 1.00 0.00 N ATOM 196 CA LYS A 550 4.741 -3.787 -1.423 1.00 0.00 C ATOM 197 C LYS A 550 5.733 -4.538 -2.311 1.00 0.00 C ATOM 198 O LYS A 550 6.824 -4.892 -1.871 1.00 0.00 O ATOM 199 CB LYS A 550 3.564 -4.675 -1.007 1.00 0.00 C ATOM 200 CG LYS A 550 3.897 -6.123 -0.715 1.00 0.00 C ATOM 201 CD LYS A 550 2.754 -6.773 0.041 1.00 0.00 C ATOM 202 CE LYS A 550 2.888 -6.553 1.537 1.00 0.00 C ATOM 203 NZ LYS A 550 3.396 -7.777 2.209 1.00 0.00 N ATOM 0 H LYS A 550 3.200 -2.614 -2.196 1.00 0.00 H new ATOM 0 HA LYS A 550 5.292 -3.484 -0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 550 3.104 -4.242 -0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 550 2.816 -4.647 -1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 550 4.079 -6.658 -1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 550 4.814 -6.183 -0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 550 1.806 -6.363 -0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 550 2.736 -7.842 -0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 550 3.566 -5.721 1.727 1.00 0.00 H new ATOM 0 HE3 LYS A 550 1.920 -6.278 1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 3.479 -7.603 3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 2.735 -8.563 2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 4.330 -8.023 1.822 1.00 0.00 H new ATOM 217 N SER A 551 5.360 -4.750 -3.562 1.00 0.00 N ATOM 218 CA SER A 551 6.218 -5.433 -4.519 1.00 0.00 C ATOM 219 C SER A 551 7.469 -4.612 -4.816 1.00 0.00 C ATOM 220 O SER A 551 8.540 -5.167 -5.025 1.00 0.00 O ATOM 221 CB SER A 551 5.447 -5.692 -5.815 1.00 0.00 C ATOM 222 OG SER A 551 6.176 -6.527 -6.701 1.00 0.00 O ATOM 0 H SER A 551 4.460 -4.456 -3.942 1.00 0.00 H new ATOM 0 HA SER A 551 6.528 -6.383 -4.084 1.00 0.00 H new ATOM 0 HB2 SER A 551 4.489 -6.157 -5.582 1.00 0.00 H new ATOM 0 HB3 SER A 551 5.230 -4.743 -6.305 1.00 0.00 H new ATOM 0 HG SER A 551 5.654 -6.673 -7.517 1.00 0.00 H new ATOM 228 N ALA A 552 7.317 -3.295 -4.855 1.00 0.00 N ATOM 229 CA ALA A 552 8.429 -2.406 -5.176 1.00 0.00 C ATOM 230 C ALA A 552 9.532 -2.479 -4.125 1.00 0.00 C ATOM 231 O ALA A 552 10.705 -2.587 -4.456 1.00 0.00 O ATOM 232 CB ALA A 552 7.939 -0.973 -5.333 1.00 0.00 C ATOM 0 H ALA A 552 6.435 -2.817 -4.669 1.00 0.00 H new ATOM 0 HA ALA A 552 8.853 -2.740 -6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 552 8.782 -0.324 -5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 552 7.205 -0.926 -6.137 1.00 0.00 H new ATOM 0 HB3 ALA A 552 7.479 -0.642 -4.402 1.00 0.00 H new ATOM 238 N VAL A 553 9.154 -2.437 -2.860 1.00 0.00 N ATOM 239 CA VAL A 553 10.130 -2.476 -1.778 1.00 0.00 C ATOM 240 C VAL A 553 10.662 -3.887 -1.558 1.00 0.00 C ATOM 241 O VAL A 553 11.825 -4.081 -1.212 1.00 0.00 O ATOM 242 CB VAL A 553 9.523 -1.951 -0.474 1.00 0.00 C ATOM 243 CG1 VAL A 553 9.095 -0.514 -0.673 1.00 0.00 C ATOM 244 CG2 VAL A 553 8.346 -2.809 -0.025 1.00 0.00 C ATOM 0 H VAL A 553 8.183 -2.376 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 553 10.959 -1.832 -2.072 1.00 0.00 H new ATOM 0 HB VAL A 553 10.276 -2.002 0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 553 8.661 -0.132 0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 553 9.961 0.089 -0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 553 8.353 -0.462 -1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 553 7.938 -2.410 0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 553 7.574 -2.799 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 553 8.683 -3.833 0.138 1.00 0.00 H new ATOM 254 N GLU A 554 9.789 -4.864 -1.745 1.00 0.00 N ATOM 255 CA GLU A 554 10.146 -6.259 -1.582 1.00 0.00 C ATOM 256 C GLU A 554 10.753 -6.848 -2.854 1.00 0.00 C ATOM 257 O GLU A 554 11.045 -8.046 -2.923 1.00 0.00 O ATOM 258 CB GLU A 554 8.911 -7.034 -1.145 1.00 0.00 C ATOM 259 CG GLU A 554 8.961 -7.445 0.313 1.00 0.00 C ATOM 260 CD GLU A 554 9.892 -8.613 0.581 1.00 0.00 C ATOM 261 OE1 GLU A 554 11.113 -8.384 0.732 1.00 0.00 O ATOM 262 OE2 GLU A 554 9.415 -9.760 0.667 1.00 0.00 O ATOM 0 H GLU A 554 8.817 -4.710 -2.013 1.00 0.00 H new ATOM 0 HA GLU A 554 10.916 -6.338 -0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 554 8.025 -6.423 -1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 554 8.808 -7.924 -1.765 1.00 0.00 H new ATOM 0 HG2 GLU A 554 9.279 -6.592 0.912 1.00 0.00 H new ATOM 0 HG3 GLU A 554 7.956 -7.709 0.643 1.00 0.00 H new ATOM 269 N ASP A 555 10.935 -6.003 -3.857 1.00 0.00 N ATOM 270 CA ASP A 555 11.657 -6.383 -5.068 1.00 0.00 C ATOM 271 C ASP A 555 13.105 -6.676 -4.713 1.00 0.00 C ATOM 272 O ASP A 555 13.725 -5.930 -3.960 1.00 0.00 O ATOM 273 CB ASP A 555 11.594 -5.257 -6.103 1.00 0.00 C ATOM 274 CG ASP A 555 12.317 -5.585 -7.391 1.00 0.00 C ATOM 275 OD1 ASP A 555 13.545 -5.368 -7.458 1.00 0.00 O ATOM 276 OD2 ASP A 555 11.658 -6.040 -8.351 1.00 0.00 O ATOM 0 H ASP A 555 10.591 -5.043 -3.858 1.00 0.00 H new ATOM 0 HA ASP A 555 11.195 -7.272 -5.496 1.00 0.00 H new ATOM 0 HB2 ASP A 555 10.550 -5.037 -6.327 1.00 0.00 H new ATOM 0 HB3 ASP A 555 12.025 -4.353 -5.673 1.00 0.00 H new ATOM 281 N GLU A 556 13.642 -7.757 -5.260 1.00 0.00 N ATOM 282 CA GLU A 556 14.966 -8.225 -4.879 1.00 0.00 C ATOM 283 C GLU A 556 16.071 -7.293 -5.357 1.00 0.00 C ATOM 284 O GLU A 556 17.219 -7.424 -4.933 1.00 0.00 O ATOM 285 CB GLU A 556 15.230 -9.643 -5.385 1.00 0.00 C ATOM 286 CG GLU A 556 14.928 -9.854 -6.859 1.00 0.00 C ATOM 287 CD GLU A 556 13.487 -10.255 -7.093 1.00 0.00 C ATOM 288 OE1 GLU A 556 12.607 -9.370 -7.087 1.00 0.00 O ATOM 289 OE2 GLU A 556 13.224 -11.464 -7.262 1.00 0.00 O ATOM 0 H GLU A 556 13.181 -8.326 -5.969 1.00 0.00 H new ATOM 0 HA GLU A 556 14.980 -8.232 -3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 556 16.276 -9.891 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 556 14.630 -10.341 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 556 15.142 -8.937 -7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 556 15.588 -10.625 -7.257 1.00 0.00 H new ATOM 296 N GLY A 557 15.737 -6.358 -6.231 1.00 0.00 N ATOM 297 CA GLY A 557 16.726 -5.404 -6.682 1.00 0.00 C ATOM 298 C GLY A 557 16.561 -4.081 -5.980 1.00 0.00 C ATOM 299 O GLY A 557 17.541 -3.400 -5.665 1.00 0.00 O ATOM 0 H GLY A 557 14.807 -6.243 -6.633 1.00 0.00 H new ATOM 0 HA2 GLY A 557 17.726 -5.796 -6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 557 16.635 -5.262 -7.759 1.00 0.00 H new ATOM 303 N LEU A 558 15.311 -3.729 -5.710 1.00 0.00 N ATOM 304 CA LEU A 558 15.000 -2.490 -5.024 1.00 0.00 C ATOM 305 C LEU A 558 15.238 -2.608 -3.524 1.00 0.00 C ATOM 306 O LEU A 558 15.340 -1.597 -2.826 1.00 0.00 O ATOM 307 CB LEU A 558 13.568 -2.062 -5.310 1.00 0.00 C ATOM 308 CG LEU A 558 13.370 -1.360 -6.653 1.00 0.00 C ATOM 309 CD1 LEU A 558 11.896 -1.256 -6.982 1.00 0.00 C ATOM 310 CD2 LEU A 558 14.008 0.023 -6.632 1.00 0.00 C ATOM 0 H LEU A 558 14.496 -4.289 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 558 15.673 -1.722 -5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 558 12.926 -2.942 -5.277 1.00 0.00 H new ATOM 0 HB3 LEU A 558 13.236 -1.395 -4.514 1.00 0.00 H new ATOM 0 HG LEU A 558 13.857 -1.953 -7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 558 11.772 -0.754 -7.941 1.00 0.00 H new ATOM 0 HD12 LEU A 558 11.464 -2.255 -7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 558 11.389 -0.684 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 558 13.857 0.508 -7.596 1.00 0.00 H new ATOM 0 HD22 LEU A 558 13.548 0.624 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 558 15.076 -0.072 -6.437 1.00 0.00 H new ATOM 322 N LYS A 559 15.333 -3.834 -3.019 1.00 0.00 N ATOM 323 CA LYS A 559 15.703 -4.034 -1.627 1.00 0.00 C ATOM 324 C LYS A 559 17.183 -3.707 -1.440 1.00 0.00 C ATOM 325 O LYS A 559 18.069 -4.509 -1.738 1.00 0.00 O ATOM 326 CB LYS A 559 15.360 -5.452 -1.132 1.00 0.00 C ATOM 327 CG LYS A 559 16.007 -6.601 -1.900 1.00 0.00 C ATOM 328 CD LYS A 559 15.661 -7.932 -1.249 1.00 0.00 C ATOM 329 CE LYS A 559 16.350 -9.105 -1.930 1.00 0.00 C ATOM 330 NZ LYS A 559 17.823 -9.073 -1.745 1.00 0.00 N ATOM 0 H LYS A 559 15.161 -4.691 -3.545 1.00 0.00 H new ATOM 0 HA LYS A 559 15.114 -3.353 -1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 559 15.652 -5.531 -0.085 1.00 0.00 H new ATOM 0 HB3 LYS A 559 14.278 -5.578 -1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 559 15.664 -6.594 -2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 559 17.089 -6.469 -1.922 1.00 0.00 H new ATOM 0 HD2 LYS A 559 15.948 -7.905 -0.198 1.00 0.00 H new ATOM 0 HD3 LYS A 559 14.581 -8.080 -1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 559 15.955 -10.039 -1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 559 16.119 -9.092 -2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 18.236 -9.963 -2.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 18.223 -8.275 -2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 18.044 -8.958 -0.735 1.00 0.00 H new ATOM 344 N GLY A 560 17.431 -2.500 -0.961 1.00 0.00 N ATOM 345 CA GLY A 560 18.776 -1.964 -0.913 1.00 0.00 C ATOM 346 C GLY A 560 18.815 -0.600 -1.566 1.00 0.00 C ATOM 347 O GLY A 560 19.622 0.255 -1.210 1.00 0.00 O ATOM 0 H GLY A 560 16.713 -1.872 -0.599 1.00 0.00 H new ATOM 0 HA2 GLY A 560 19.110 -1.890 0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 560 19.464 -2.639 -1.422 1.00 0.00 H new ATOM 351 N LYS A 561 17.926 -0.411 -2.535 1.00 0.00 N ATOM 352 CA LYS A 561 17.709 0.893 -3.153 1.00 0.00 C ATOM 353 C LYS A 561 16.945 1.767 -2.174 1.00 0.00 C ATOM 354 O LYS A 561 17.184 2.968 -2.057 1.00 0.00 O ATOM 355 CB LYS A 561 16.891 0.737 -4.438 1.00 0.00 C ATOM 356 CG LYS A 561 17.485 -0.244 -5.437 1.00 0.00 C ATOM 357 CD LYS A 561 18.428 0.429 -6.404 1.00 0.00 C ATOM 358 CE LYS A 561 19.090 -0.597 -7.304 1.00 0.00 C ATOM 359 NZ LYS A 561 19.976 -1.527 -6.550 1.00 0.00 N ATOM 0 H LYS A 561 17.338 -1.153 -2.913 1.00 0.00 H new ATOM 0 HA LYS A 561 18.669 1.347 -3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 561 15.885 0.409 -4.178 1.00 0.00 H new ATOM 0 HB3 LYS A 561 16.795 1.712 -4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 561 18.017 -1.029 -4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 561 16.681 -0.726 -5.992 1.00 0.00 H new ATOM 0 HD2 LYS A 561 17.882 1.153 -7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 561 19.189 0.983 -5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 561 18.322 -1.171 -7.822 1.00 0.00 H new ATOM 0 HE3 LYS A 561 19.673 -0.083 -8.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 20.682 -1.934 -7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 20.460 -1.006 -5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 19.405 -2.291 -6.136 1.00 0.00 H new ATOM 373 N ILE A 562 16.028 1.125 -1.468 1.00 0.00 N ATOM 374 CA ILE A 562 15.233 1.767 -0.441 1.00 0.00 C ATOM 375 C ILE A 562 15.732 1.327 0.934 1.00 0.00 C ATOM 376 O ILE A 562 16.291 0.232 1.074 1.00 0.00 O ATOM 377 CB ILE A 562 13.744 1.398 -0.600 1.00 0.00 C ATOM 378 CG1 ILE A 562 12.882 2.247 0.319 1.00 0.00 C ATOM 379 CG2 ILE A 562 13.506 -0.078 -0.318 1.00 0.00 C ATOM 380 CD1 ILE A 562 11.444 1.807 0.334 1.00 0.00 C ATOM 0 H ILE A 562 15.815 0.136 -1.595 1.00 0.00 H new ATOM 0 HA ILE A 562 15.333 2.848 -0.539 1.00 0.00 H new ATOM 0 HB ILE A 562 13.464 1.597 -1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 562 13.283 2.201 1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 562 12.936 3.288 0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 562 12.447 -0.305 -0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 562 14.088 -0.680 -1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 562 13.812 -0.307 0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 562 10.874 2.448 1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 562 11.031 1.879 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 562 11.383 0.775 0.678 1.00 0.00 H new ATOM 392 N SER A 563 15.554 2.175 1.940 1.00 0.00 N ATOM 393 CA SER A 563 15.947 1.832 3.292 1.00 0.00 C ATOM 394 C SER A 563 14.995 0.776 3.832 1.00 0.00 C ATOM 395 O SER A 563 13.816 0.759 3.467 1.00 0.00 O ATOM 396 CB SER A 563 15.938 3.075 4.184 1.00 0.00 C ATOM 397 OG SER A 563 16.406 2.777 5.488 1.00 0.00 O ATOM 0 H SER A 563 15.141 3.102 1.841 1.00 0.00 H new ATOM 0 HA SER A 563 16.961 1.433 3.286 1.00 0.00 H new ATOM 0 HB2 SER A 563 16.563 3.849 3.739 1.00 0.00 H new ATOM 0 HB3 SER A 563 14.926 3.477 4.241 1.00 0.00 H new ATOM 0 HG SER A 563 16.391 3.590 6.035 1.00 0.00 H new ATOM 403 N GLU A 564 15.498 -0.110 4.685 1.00 0.00 N ATOM 404 CA GLU A 564 14.679 -1.188 5.217 1.00 0.00 C ATOM 405 C GLU A 564 13.465 -0.645 5.956 1.00 0.00 C ATOM 406 O GLU A 564 12.387 -1.219 5.884 1.00 0.00 O ATOM 407 CB GLU A 564 15.508 -2.118 6.108 1.00 0.00 C ATOM 408 CG GLU A 564 16.435 -1.416 7.091 1.00 0.00 C ATOM 409 CD GLU A 564 15.723 -0.788 8.273 1.00 0.00 C ATOM 410 OE1 GLU A 564 14.985 -1.501 8.987 1.00 0.00 O ATOM 411 OE2 GLU A 564 15.895 0.429 8.484 1.00 0.00 O ATOM 0 H GLU A 564 16.462 -0.102 5.020 1.00 0.00 H new ATOM 0 HA GLU A 564 14.312 -1.776 4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 564 14.828 -2.759 6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 564 16.106 -2.768 5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 564 17.166 -2.135 7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 564 16.989 -0.641 6.561 1.00 0.00 H new ATOM 418 N ALA A 565 13.644 0.480 6.633 1.00 0.00 N ATOM 419 CA ALA A 565 12.564 1.107 7.386 1.00 0.00 C ATOM 420 C ALA A 565 11.399 1.490 6.481 1.00 0.00 C ATOM 421 O ALA A 565 10.237 1.260 6.821 1.00 0.00 O ATOM 422 CB ALA A 565 13.078 2.332 8.124 1.00 0.00 C ATOM 0 H ALA A 565 14.532 0.981 6.677 1.00 0.00 H new ATOM 0 HA ALA A 565 12.199 0.379 8.111 1.00 0.00 H new ATOM 0 HB1 ALA A 565 12.261 2.790 8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 565 13.868 2.036 8.814 1.00 0.00 H new ATOM 0 HB3 ALA A 565 13.474 3.050 7.406 1.00 0.00 H new ATOM 428 N ASP A 566 11.713 2.057 5.321 1.00 0.00 N ATOM 429 CA ASP A 566 10.685 2.458 4.366 1.00 0.00 C ATOM 430 C ASP A 566 10.035 1.226 3.755 1.00 0.00 C ATOM 431 O ASP A 566 8.814 1.142 3.644 1.00 0.00 O ATOM 432 CB ASP A 566 11.282 3.337 3.264 1.00 0.00 C ATOM 433 CG ASP A 566 11.898 4.616 3.797 1.00 0.00 C ATOM 434 OD1 ASP A 566 13.091 4.596 4.175 1.00 0.00 O ATOM 435 OD2 ASP A 566 11.195 5.647 3.849 1.00 0.00 O ATOM 0 H ASP A 566 12.668 2.249 5.019 1.00 0.00 H new ATOM 0 HA ASP A 566 9.929 3.037 4.896 1.00 0.00 H new ATOM 0 HB2 ASP A 566 12.042 2.770 2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 566 10.503 3.588 2.544 1.00 0.00 H new ATOM 440 N LYS A 567 10.872 0.271 3.373 1.00 0.00 N ATOM 441 CA LYS A 567 10.423 -1.018 2.868 1.00 0.00 C ATOM 442 C LYS A 567 9.475 -1.695 3.861 1.00 0.00 C ATOM 443 O LYS A 567 8.398 -2.156 3.492 1.00 0.00 O ATOM 444 CB LYS A 567 11.656 -1.889 2.637 1.00 0.00 C ATOM 445 CG LYS A 567 11.381 -3.299 2.181 1.00 0.00 C ATOM 446 CD LYS A 567 12.657 -4.114 2.238 1.00 0.00 C ATOM 447 CE LYS A 567 12.480 -5.457 1.575 1.00 0.00 C ATOM 448 NZ LYS A 567 11.562 -6.344 2.334 1.00 0.00 N ATOM 0 H LYS A 567 11.887 0.370 3.405 1.00 0.00 H new ATOM 0 HA LYS A 567 9.875 -0.878 1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 567 12.288 -1.403 1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 567 12.228 -1.931 3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 567 10.619 -3.754 2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 567 10.988 -3.292 1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 567 13.462 -3.567 1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 567 12.955 -4.255 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 567 12.092 -5.313 0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 567 13.451 -5.942 1.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 11.075 -6.985 1.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 12.108 -6.903 3.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 10.859 -5.766 2.838 1.00 0.00 H new ATOM 462 N LYS A 568 9.878 -1.722 5.122 1.00 0.00 N ATOM 463 CA LYS A 568 9.097 -2.349 6.183 1.00 0.00 C ATOM 464 C LYS A 568 7.782 -1.623 6.423 1.00 0.00 C ATOM 465 O LYS A 568 6.725 -2.250 6.471 1.00 0.00 O ATOM 466 CB LYS A 568 9.903 -2.379 7.477 1.00 0.00 C ATOM 467 CG LYS A 568 10.969 -3.461 7.510 1.00 0.00 C ATOM 468 CD LYS A 568 12.126 -3.071 8.414 1.00 0.00 C ATOM 469 CE LYS A 568 11.650 -2.576 9.770 1.00 0.00 C ATOM 470 NZ LYS A 568 12.778 -2.091 10.604 1.00 0.00 N ATOM 0 H LYS A 568 10.755 -1.311 5.441 1.00 0.00 H new ATOM 0 HA LYS A 568 8.869 -3.366 5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 568 10.379 -1.409 7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 568 9.222 -2.527 8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 568 10.531 -4.395 7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 568 11.339 -3.641 6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 568 12.783 -3.930 8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 568 12.716 -2.292 7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 568 10.928 -1.771 9.631 1.00 0.00 H new ATOM 0 HE3 LYS A 568 11.133 -3.382 10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 12.483 -1.243 11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 13.057 -2.834 11.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 13.586 -1.856 9.993 1.00 0.00 H new ATOM 484 N LYS A 569 7.849 -0.302 6.564 1.00 0.00 N ATOM 485 CA LYS A 569 6.675 0.483 6.913 1.00 0.00 C ATOM 486 C LYS A 569 5.606 0.347 5.836 1.00 0.00 C ATOM 487 O LYS A 569 4.425 0.182 6.141 1.00 0.00 O ATOM 488 CB LYS A 569 7.047 1.961 7.126 1.00 0.00 C ATOM 489 CG LYS A 569 7.291 2.739 5.842 1.00 0.00 C ATOM 490 CD LYS A 569 7.778 4.146 6.128 1.00 0.00 C ATOM 491 CE LYS A 569 6.631 5.081 6.456 1.00 0.00 C ATOM 492 NZ LYS A 569 7.106 6.465 6.716 1.00 0.00 N ATOM 0 H LYS A 569 8.702 0.243 6.442 1.00 0.00 H new ATOM 0 HA LYS A 569 6.273 0.099 7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 569 6.247 2.447 7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 569 7.944 2.012 7.743 1.00 0.00 H new ATOM 0 HG2 LYS A 569 8.027 2.215 5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 569 6.370 2.783 5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 569 8.480 4.126 6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 569 8.321 4.526 5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 569 5.921 5.089 5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 569 6.097 4.709 7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 569 6.293 7.075 6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 569 7.764 6.461 7.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 569 7.593 6.829 5.872 1.00 0.00 H new ATOM 506 N VAL A 570 6.023 0.410 4.577 1.00 0.00 N ATOM 507 CA VAL A 570 5.090 0.312 3.479 1.00 0.00 C ATOM 508 C VAL A 570 4.540 -1.110 3.356 1.00 0.00 C ATOM 509 O VAL A 570 3.354 -1.284 3.120 1.00 0.00 O ATOM 510 CB VAL A 570 5.700 0.790 2.146 1.00 0.00 C ATOM 511 CG1 VAL A 570 6.813 -0.123 1.688 1.00 0.00 C ATOM 512 CG2 VAL A 570 4.624 0.904 1.081 1.00 0.00 C ATOM 0 H VAL A 570 6.997 0.528 4.300 1.00 0.00 H new ATOM 0 HA VAL A 570 4.261 0.983 3.703 1.00 0.00 H new ATOM 0 HB VAL A 570 6.132 1.777 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 570 7.220 0.244 0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 570 7.601 -0.142 2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 570 6.422 -1.131 1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 570 5.071 1.243 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 570 4.158 -0.070 0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 570 3.869 1.621 1.402 1.00 0.00 H new ATOM 522 N LEU A 571 5.392 -2.123 3.540 1.00 0.00 N ATOM 523 CA LEU A 571 4.937 -3.514 3.497 1.00 0.00 C ATOM 524 C LEU A 571 3.896 -3.767 4.581 1.00 0.00 C ATOM 525 O LEU A 571 2.842 -4.353 4.319 1.00 0.00 O ATOM 526 CB LEU A 571 6.103 -4.491 3.695 1.00 0.00 C ATOM 527 CG LEU A 571 7.044 -4.682 2.509 1.00 0.00 C ATOM 528 CD1 LEU A 571 8.353 -5.290 2.979 1.00 0.00 C ATOM 529 CD2 LEU A 571 6.407 -5.579 1.460 1.00 0.00 C ATOM 0 H LEU A 571 6.390 -2.007 3.718 1.00 0.00 H new ATOM 0 HA LEU A 571 4.498 -3.680 2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 571 6.693 -4.150 4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 571 5.691 -5.464 3.963 1.00 0.00 H new ATOM 0 HG LEU A 571 7.239 -3.707 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 571 9.019 -5.423 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 571 8.822 -4.627 3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 571 8.159 -6.257 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 571 7.093 -5.703 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 571 6.189 -6.553 1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 571 5.481 -5.125 1.106 1.00 0.00 H new ATOM 541 N ASP A 572 4.206 -3.316 5.795 1.00 0.00 N ATOM 542 CA ASP A 572 3.305 -3.454 6.938 1.00 0.00 C ATOM 543 C ASP A 572 1.985 -2.754 6.660 1.00 0.00 C ATOM 544 O ASP A 572 0.907 -3.312 6.866 1.00 0.00 O ATOM 545 CB ASP A 572 3.953 -2.849 8.187 1.00 0.00 C ATOM 546 CG ASP A 572 3.093 -2.991 9.429 1.00 0.00 C ATOM 547 OD1 ASP A 572 2.232 -2.119 9.670 1.00 0.00 O ATOM 548 OD2 ASP A 572 3.291 -3.967 10.186 1.00 0.00 O ATOM 0 H ASP A 572 5.085 -2.847 6.014 1.00 0.00 H new ATOM 0 HA ASP A 572 3.114 -4.514 7.105 1.00 0.00 H new ATOM 0 HB2 ASP A 572 4.915 -3.332 8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 572 4.154 -1.792 8.010 1.00 0.00 H new ATOM 553 N LYS A 573 2.087 -1.533 6.168 1.00 0.00 N ATOM 554 CA LYS A 573 0.927 -0.740 5.827 1.00 0.00 C ATOM 555 C LYS A 573 0.147 -1.383 4.682 1.00 0.00 C ATOM 556 O LYS A 573 -1.081 -1.430 4.710 1.00 0.00 O ATOM 557 CB LYS A 573 1.375 0.676 5.472 1.00 0.00 C ATOM 558 CG LYS A 573 0.319 1.521 4.792 1.00 0.00 C ATOM 559 CD LYS A 573 -0.957 1.595 5.586 1.00 0.00 C ATOM 560 CE LYS A 573 -1.943 2.526 4.929 1.00 0.00 C ATOM 561 NZ LYS A 573 -3.253 2.505 5.631 1.00 0.00 N ATOM 0 H LYS A 573 2.977 -1.066 5.995 1.00 0.00 H new ATOM 0 HA LYS A 573 0.255 -0.692 6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 573 1.694 1.181 6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 573 2.247 0.614 4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 573 0.707 2.528 4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 573 0.107 1.108 3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 573 -1.393 0.600 5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 573 -0.742 1.941 6.597 1.00 0.00 H new ATOM 0 HE2 LYS A 573 -1.544 3.540 4.928 1.00 0.00 H new ATOM 0 HE3 LYS A 573 -2.081 2.237 3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 573 -3.950 3.047 5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 573 -3.579 1.522 5.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 573 -3.148 2.931 6.574 1.00 0.00 H new ATOM 575 N CYS A 574 0.865 -1.890 3.687 1.00 0.00 N ATOM 576 CA CYS A 574 0.242 -2.576 2.562 1.00 0.00 C ATOM 577 C CYS A 574 -0.519 -3.809 3.044 1.00 0.00 C ATOM 578 O CYS A 574 -1.592 -4.124 2.540 1.00 0.00 O ATOM 579 CB CYS A 574 1.285 -2.959 1.507 1.00 0.00 C ATOM 580 SG CYS A 574 1.990 -1.548 0.625 1.00 0.00 S ATOM 0 H CYS A 574 1.882 -1.839 3.637 1.00 0.00 H new ATOM 0 HA CYS A 574 -0.468 -1.892 2.097 1.00 0.00 H new ATOM 0 HB2 CYS A 574 2.091 -3.511 1.991 1.00 0.00 H new ATOM 0 HB3 CYS A 574 0.825 -3.633 0.784 1.00 0.00 H new ATOM 0 HG CYS A 574 1.886 -1.741 -0.656 1.00 0.00 H new ATOM 586 N GLN A 575 0.046 -4.505 4.017 1.00 0.00 N ATOM 587 CA GLN A 575 -0.619 -5.646 4.627 1.00 0.00 C ATOM 588 C GLN A 575 -1.857 -5.208 5.402 1.00 0.00 C ATOM 589 O GLN A 575 -2.872 -5.902 5.404 1.00 0.00 O ATOM 590 CB GLN A 575 0.348 -6.377 5.549 1.00 0.00 C ATOM 591 CG GLN A 575 0.870 -7.682 4.972 1.00 0.00 C ATOM 592 CD GLN A 575 -0.213 -8.733 4.840 1.00 0.00 C ATOM 593 OE1 GLN A 575 -0.465 -9.503 5.766 1.00 0.00 O ATOM 594 NE2 GLN A 575 -0.854 -8.779 3.684 1.00 0.00 N ATOM 0 H GLN A 575 0.967 -4.299 4.403 1.00 0.00 H new ATOM 0 HA GLN A 575 -0.939 -6.322 3.834 1.00 0.00 H new ATOM 0 HB2 GLN A 575 1.192 -5.723 5.768 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -0.151 -6.582 6.496 1.00 0.00 H new ATOM 0 HG2 GLN A 575 1.309 -7.492 3.992 1.00 0.00 H new ATOM 0 HG3 GLN A 575 1.667 -8.064 5.610 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -0.614 -8.122 2.941 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -1.588 -9.471 3.535 1.00 0.00 H new ATOM 603 N GLU A 576 -1.769 -4.052 6.047 1.00 0.00 N ATOM 604 CA GLU A 576 -2.908 -3.480 6.761 1.00 0.00 C ATOM 605 C GLU A 576 -4.075 -3.267 5.807 1.00 0.00 C ATOM 606 O GLU A 576 -5.179 -3.775 6.030 1.00 0.00 O ATOM 607 CB GLU A 576 -2.523 -2.144 7.399 1.00 0.00 C ATOM 608 CG GLU A 576 -3.702 -1.385 7.995 1.00 0.00 C ATOM 609 CD GLU A 576 -3.834 0.023 7.436 1.00 0.00 C ATOM 610 OE1 GLU A 576 -4.283 0.171 6.278 1.00 0.00 O ATOM 611 OE2 GLU A 576 -3.489 0.991 8.145 1.00 0.00 O ATOM 0 H GLU A 576 -0.919 -3.489 6.092 1.00 0.00 H new ATOM 0 HA GLU A 576 -3.205 -4.177 7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 576 -1.786 -2.325 8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 576 -2.042 -1.518 6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 576 -4.621 -1.937 7.799 1.00 0.00 H new ATOM 0 HG3 GLU A 576 -3.586 -1.333 9.078 1.00 0.00 H new ATOM 618 N VAL A 577 -3.813 -2.534 4.739 1.00 0.00 N ATOM 619 CA VAL A 577 -4.835 -2.220 3.755 1.00 0.00 C ATOM 620 C VAL A 577 -5.310 -3.470 3.013 1.00 0.00 C ATOM 621 O VAL A 577 -6.504 -3.643 2.790 1.00 0.00 O ATOM 622 CB VAL A 577 -4.345 -1.150 2.749 1.00 0.00 C ATOM 623 CG1 VAL A 577 -2.914 -1.391 2.341 1.00 0.00 C ATOM 624 CG2 VAL A 577 -5.215 -1.126 1.517 1.00 0.00 C ATOM 0 H VAL A 577 -2.895 -2.143 4.530 1.00 0.00 H new ATOM 0 HA VAL A 577 -5.684 -1.810 4.303 1.00 0.00 H new ATOM 0 HB VAL A 577 -4.410 -0.186 3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 577 -2.603 -0.622 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 577 -2.273 -1.355 3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 577 -2.830 -2.371 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 577 -4.848 -0.366 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 577 -5.185 -2.101 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 577 -6.241 -0.894 1.801 1.00 0.00 H new ATOM 634 N ILE A 578 -4.382 -4.343 2.647 1.00 0.00 N ATOM 635 CA ILE A 578 -4.730 -5.559 1.921 1.00 0.00 C ATOM 636 C ILE A 578 -5.631 -6.477 2.759 1.00 0.00 C ATOM 637 O ILE A 578 -6.595 -7.044 2.245 1.00 0.00 O ATOM 638 CB ILE A 578 -3.464 -6.291 1.426 1.00 0.00 C ATOM 639 CG1 ILE A 578 -2.968 -5.635 0.130 1.00 0.00 C ATOM 640 CG2 ILE A 578 -3.728 -7.772 1.213 1.00 0.00 C ATOM 641 CD1 ILE A 578 -1.588 -6.069 -0.279 1.00 0.00 C ATOM 0 H ILE A 578 -3.386 -4.234 2.839 1.00 0.00 H new ATOM 0 HA ILE A 578 -5.304 -5.269 1.041 1.00 0.00 H new ATOM 0 HB ILE A 578 -2.692 -6.207 2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 578 -3.666 -5.868 -0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 578 -2.976 -4.552 0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 578 -2.816 -8.258 0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 578 -4.044 -8.224 2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 578 -4.514 -7.898 0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 578 -1.307 -5.564 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 578 -0.878 -5.811 0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 578 -1.578 -7.147 -0.438 1.00 0.00 H new ATOM 653 N SER A 579 -5.346 -6.589 4.053 1.00 0.00 N ATOM 654 CA SER A 579 -6.203 -7.360 4.948 1.00 0.00 C ATOM 655 C SER A 579 -7.538 -6.642 5.165 1.00 0.00 C ATOM 656 O SER A 579 -8.575 -7.280 5.351 1.00 0.00 O ATOM 657 CB SER A 579 -5.501 -7.603 6.284 1.00 0.00 C ATOM 658 OG SER A 579 -4.297 -8.332 6.099 1.00 0.00 O ATOM 0 H SER A 579 -4.537 -6.160 4.502 1.00 0.00 H new ATOM 0 HA SER A 579 -6.404 -8.326 4.484 1.00 0.00 H new ATOM 0 HB2 SER A 579 -5.283 -6.649 6.763 1.00 0.00 H new ATOM 0 HB3 SER A 579 -6.164 -8.152 6.953 1.00 0.00 H new ATOM 0 HG SER A 579 -3.580 -7.718 5.836 1.00 0.00 H new ATOM 664 N TRP A 580 -7.501 -5.314 5.111 1.00 0.00 N ATOM 665 CA TRP A 580 -8.700 -4.497 5.234 1.00 0.00 C ATOM 666 C TRP A 580 -9.570 -4.697 4.003 1.00 0.00 C ATOM 667 O TRP A 580 -10.788 -4.737 4.089 1.00 0.00 O ATOM 668 CB TRP A 580 -8.309 -3.019 5.387 1.00 0.00 C ATOM 669 CG TRP A 580 -9.457 -2.057 5.267 1.00 0.00 C ATOM 670 CD1 TRP A 580 -10.227 -1.564 6.279 1.00 0.00 C ATOM 671 CD2 TRP A 580 -9.959 -1.472 4.058 1.00 0.00 C ATOM 672 NE1 TRP A 580 -11.178 -0.708 5.772 1.00 0.00 N ATOM 673 CE2 TRP A 580 -11.033 -0.639 4.412 1.00 0.00 C ATOM 674 CE3 TRP A 580 -9.601 -1.574 2.712 1.00 0.00 C ATOM 675 CZ2 TRP A 580 -11.756 0.085 3.465 1.00 0.00 C ATOM 676 CZ3 TRP A 580 -10.317 -0.858 1.773 1.00 0.00 C ATOM 677 CH2 TRP A 580 -11.384 -0.036 2.155 1.00 0.00 C ATOM 0 H TRP A 580 -6.643 -4.778 4.981 1.00 0.00 H new ATOM 0 HA TRP A 580 -9.263 -4.797 6.118 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -7.835 -2.880 6.358 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -7.564 -2.773 4.630 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -10.108 -1.809 7.324 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -11.877 -0.207 6.320 1.00 0.00 H new ATOM 0 HE3 TRP A 580 -8.777 -2.203 2.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -12.581 0.719 3.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 -10.050 -0.933 0.729 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -11.925 0.514 1.399 1.00 0.00 H new ATOM 688 N LEU A 581 -8.916 -4.821 2.862 1.00 0.00 N ATOM 689 CA LEU A 581 -9.586 -5.089 1.598 1.00 0.00 C ATOM 690 C LEU A 581 -10.358 -6.390 1.652 1.00 0.00 C ATOM 691 O LEU A 581 -11.515 -6.458 1.246 1.00 0.00 O ATOM 692 CB LEU A 581 -8.553 -5.185 0.497 1.00 0.00 C ATOM 693 CG LEU A 581 -8.032 -3.859 -0.009 1.00 0.00 C ATOM 694 CD1 LEU A 581 -6.675 -4.064 -0.631 1.00 0.00 C ATOM 695 CD2 LEU A 581 -9.012 -3.273 -1.005 1.00 0.00 C ATOM 0 H LEU A 581 -7.902 -4.739 2.784 1.00 0.00 H new ATOM 0 HA LEU A 581 -10.284 -4.275 1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 581 -7.711 -5.774 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 581 -8.987 -5.731 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 581 -7.930 -3.155 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 581 -6.295 -3.110 -0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 581 -5.989 -4.465 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 581 -6.758 -4.765 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 581 -8.634 -2.317 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 581 -9.132 -3.958 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 581 -9.976 -3.121 -0.520 1.00 0.00 H new ATOM 707 N ASP A 582 -9.686 -7.418 2.141 1.00 0.00 N ATOM 708 CA ASP A 582 -10.268 -8.749 2.252 1.00 0.00 C ATOM 709 C ASP A 582 -11.423 -8.743 3.240 1.00 0.00 C ATOM 710 O ASP A 582 -12.417 -9.448 3.067 1.00 0.00 O ATOM 711 CB ASP A 582 -9.192 -9.741 2.700 1.00 0.00 C ATOM 712 CG ASP A 582 -9.724 -11.146 2.895 1.00 0.00 C ATOM 713 OD1 ASP A 582 -10.018 -11.821 1.887 1.00 0.00 O ATOM 714 OD2 ASP A 582 -9.839 -11.586 4.058 1.00 0.00 O ATOM 0 H ASP A 582 -8.723 -7.356 2.472 1.00 0.00 H new ATOM 0 HA ASP A 582 -10.653 -9.052 1.278 1.00 0.00 H new ATOM 0 HB2 ASP A 582 -8.393 -9.761 1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 582 -8.751 -9.393 3.634 1.00 0.00 H new ATOM 719 N ALA A 583 -11.279 -7.918 4.264 1.00 0.00 N ATOM 720 CA ALA A 583 -12.267 -7.814 5.323 1.00 0.00 C ATOM 721 C ALA A 583 -13.425 -6.901 4.924 1.00 0.00 C ATOM 722 O ALA A 583 -14.568 -7.104 5.336 1.00 0.00 O ATOM 723 CB ALA A 583 -11.586 -7.297 6.577 1.00 0.00 C ATOM 0 H ALA A 583 -10.475 -7.302 4.384 1.00 0.00 H new ATOM 0 HA ALA A 583 -12.690 -8.801 5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -12.318 -7.214 7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -10.797 -7.988 6.874 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -11.153 -6.317 6.378 1.00 0.00 H new ATOM 729 N ASN A 584 -13.122 -5.905 4.106 1.00 0.00 N ATOM 730 CA ASN A 584 -14.105 -4.912 3.698 1.00 0.00 C ATOM 731 C ASN A 584 -14.299 -4.912 2.192 1.00 0.00 C ATOM 732 O ASN A 584 -14.196 -3.874 1.542 1.00 0.00 O ATOM 733 CB ASN A 584 -13.685 -3.510 4.158 1.00 0.00 C ATOM 734 CG ASN A 584 -13.921 -3.266 5.636 1.00 0.00 C ATOM 735 OD1 ASN A 584 -13.855 -4.180 6.459 1.00 0.00 O ATOM 736 ND2 ASN A 584 -14.200 -2.019 5.983 1.00 0.00 N ATOM 0 H ASN A 584 -12.194 -5.762 3.708 1.00 0.00 H new ATOM 0 HA ASN A 584 -15.050 -5.179 4.172 1.00 0.00 H new ATOM 0 HB2 ASN A 584 -12.627 -3.365 3.938 1.00 0.00 H new ATOM 0 HB3 ASN A 584 -14.236 -2.766 3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 584 -14.369 -1.788 6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 584 -14.246 -1.290 5.271 1.00 0.00 H new ATOM 743 N THR A 585 -14.579 -6.077 1.637 1.00 0.00 N ATOM 744 CA THR A 585 -14.923 -6.190 0.232 1.00 0.00 C ATOM 745 C THR A 585 -16.263 -5.525 -0.051 1.00 0.00 C ATOM 746 O THR A 585 -16.580 -5.168 -1.185 1.00 0.00 O ATOM 747 CB THR A 585 -14.972 -7.657 -0.170 1.00 0.00 C ATOM 748 OG1 THR A 585 -15.497 -8.437 0.915 1.00 0.00 O ATOM 749 CG2 THR A 585 -13.583 -8.126 -0.525 1.00 0.00 C ATOM 0 H THR A 585 -14.575 -6.963 2.142 1.00 0.00 H new ATOM 0 HA THR A 585 -14.158 -5.681 -0.355 1.00 0.00 H new ATOM 0 HB THR A 585 -15.621 -7.778 -1.037 1.00 0.00 H new ATOM 0 HG1 THR A 585 -15.529 -9.381 0.654 1.00 0.00 H new ATOM 0 HG21 THR A 585 -13.616 -9.177 -0.813 1.00 0.00 H new ATOM 0 HG22 THR A 585 -13.200 -7.534 -1.356 1.00 0.00 H new ATOM 0 HG23 THR A 585 -12.927 -8.007 0.338 1.00 0.00 H new ATOM 757 N LEU A 586 -17.038 -5.351 1.011 1.00 0.00 N ATOM 758 CA LEU A 586 -18.352 -4.734 0.919 1.00 0.00 C ATOM 759 C LEU A 586 -18.254 -3.223 1.106 1.00 0.00 C ATOM 760 O LEU A 586 -19.268 -2.525 1.165 1.00 0.00 O ATOM 761 CB LEU A 586 -19.310 -5.323 1.965 1.00 0.00 C ATOM 762 CG LEU A 586 -19.527 -6.845 1.914 1.00 0.00 C ATOM 763 CD1 LEU A 586 -19.652 -7.333 0.480 1.00 0.00 C ATOM 764 CD2 LEU A 586 -18.405 -7.577 2.619 1.00 0.00 C ATOM 0 H LEU A 586 -16.774 -5.632 1.955 1.00 0.00 H new ATOM 0 HA LEU A 586 -18.746 -4.944 -0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 586 -18.935 -5.064 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 586 -20.279 -4.836 1.854 1.00 0.00 H new ATOM 0 HG LEU A 586 -20.461 -7.061 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 586 -19.805 -8.412 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 586 -20.501 -6.844 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 586 -18.740 -7.093 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 586 -18.583 -8.651 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 586 -17.457 -7.343 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 586 -18.366 -7.265 3.663 1.00 0.00 H new ATOM 776 N ALA A 587 -17.028 -2.725 1.207 1.00 0.00 N ATOM 777 CA ALA A 587 -16.796 -1.293 1.341 1.00 0.00 C ATOM 778 C ALA A 587 -17.195 -0.572 0.065 1.00 0.00 C ATOM 779 O ALA A 587 -17.159 -1.145 -1.026 1.00 0.00 O ATOM 780 CB ALA A 587 -15.336 -1.000 1.663 1.00 0.00 C ATOM 0 H ALA A 587 -16.180 -3.291 1.199 1.00 0.00 H new ATOM 0 HA ALA A 587 -17.410 -0.931 2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 587 -15.193 0.076 1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 587 -15.066 -1.485 2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 587 -14.703 -1.381 0.862 1.00 0.00 H new ATOM 786 N GLU A 588 -17.593 0.677 0.210 1.00 0.00 N ATOM 787 CA GLU A 588 -17.950 1.497 -0.932 1.00 0.00 C ATOM 788 C GLU A 588 -16.707 2.171 -1.499 1.00 0.00 C ATOM 789 O GLU A 588 -15.644 2.130 -0.876 1.00 0.00 O ATOM 790 CB GLU A 588 -19.000 2.536 -0.541 1.00 0.00 C ATOM 791 CG GLU A 588 -20.266 1.917 0.032 1.00 0.00 C ATOM 792 CD GLU A 588 -21.357 2.936 0.278 1.00 0.00 C ATOM 793 OE1 GLU A 588 -21.150 3.845 1.108 1.00 0.00 O ATOM 794 OE2 GLU A 588 -22.433 2.821 -0.349 1.00 0.00 O ATOM 0 H GLU A 588 -17.678 1.148 1.111 1.00 0.00 H new ATOM 0 HA GLU A 588 -18.380 0.857 -1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -18.572 3.218 0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -19.258 3.131 -1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -20.635 1.155 -0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -20.027 1.414 0.969 1.00 0.00 H new ATOM 801 N LYS A 589 -16.849 2.811 -2.653 1.00 0.00 N ATOM 802 CA LYS A 589 -15.704 3.333 -3.399 1.00 0.00 C ATOM 803 C LYS A 589 -14.837 4.260 -2.551 1.00 0.00 C ATOM 804 O LYS A 589 -13.609 4.147 -2.548 1.00 0.00 O ATOM 805 CB LYS A 589 -16.191 4.087 -4.639 1.00 0.00 C ATOM 806 CG LYS A 589 -17.262 5.123 -4.345 1.00 0.00 C ATOM 807 CD LYS A 589 -17.675 5.883 -5.586 1.00 0.00 C ATOM 808 CE LYS A 589 -18.748 6.898 -5.246 1.00 0.00 C ATOM 809 NZ LYS A 589 -19.258 7.612 -6.445 1.00 0.00 N ATOM 0 H LYS A 589 -17.751 2.983 -3.097 1.00 0.00 H new ATOM 0 HA LYS A 589 -15.092 2.480 -3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 589 -15.341 4.580 -5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 589 -16.582 3.368 -5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 589 -18.134 4.630 -3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 589 -16.892 5.824 -3.597 1.00 0.00 H new ATOM 0 HD2 LYS A 589 -16.810 6.388 -6.017 1.00 0.00 H new ATOM 0 HD3 LYS A 589 -18.047 5.189 -6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 589 -19.576 6.393 -4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 589 -18.346 7.624 -4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 -19.989 8.294 -6.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 -18.475 8.117 -6.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 -19.667 6.925 -7.110 1.00 0.00 H new ATOM 823 N ASP A 590 -15.482 5.154 -1.825 1.00 0.00 N ATOM 824 CA ASP A 590 -14.781 6.145 -1.016 1.00 0.00 C ATOM 825 C ASP A 590 -13.912 5.504 0.061 1.00 0.00 C ATOM 826 O ASP A 590 -12.894 6.074 0.438 1.00 0.00 O ATOM 827 CB ASP A 590 -15.762 7.124 -0.372 1.00 0.00 C ATOM 828 CG ASP A 590 -16.421 8.045 -1.381 1.00 0.00 C ATOM 829 OD1 ASP A 590 -17.325 7.589 -2.111 1.00 0.00 O ATOM 830 OD2 ASP A 590 -16.050 9.235 -1.439 1.00 0.00 O ATOM 0 H ASP A 590 -16.499 5.217 -1.776 1.00 0.00 H new ATOM 0 HA ASP A 590 -14.125 6.689 -1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 590 -16.532 6.564 0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 590 -15.235 7.723 0.370 1.00 0.00 H new ATOM 835 N GLU A 591 -14.291 4.329 0.553 1.00 0.00 N ATOM 836 CA GLU A 591 -13.481 3.649 1.561 1.00 0.00 C ATOM 837 C GLU A 591 -12.130 3.264 0.989 1.00 0.00 C ATOM 838 O GLU A 591 -11.092 3.470 1.622 1.00 0.00 O ATOM 839 CB GLU A 591 -14.189 2.415 2.120 1.00 0.00 C ATOM 840 CG GLU A 591 -15.098 2.728 3.293 1.00 0.00 C ATOM 841 CD GLU A 591 -14.360 3.417 4.427 1.00 0.00 C ATOM 842 OE1 GLU A 591 -13.996 4.605 4.280 1.00 0.00 O ATOM 843 OE2 GLU A 591 -14.145 2.773 5.479 1.00 0.00 O ATOM 0 H GLU A 591 -15.139 3.833 0.277 1.00 0.00 H new ATOM 0 HA GLU A 591 -13.332 4.348 2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -14.776 1.951 1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -13.442 1.686 2.432 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -15.916 3.364 2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -15.544 1.804 3.661 1.00 0.00 H new ATOM 850 N PHE A 592 -12.147 2.725 -0.220 1.00 0.00 N ATOM 851 CA PHE A 592 -10.917 2.381 -0.913 1.00 0.00 C ATOM 852 C PHE A 592 -10.138 3.646 -1.214 1.00 0.00 C ATOM 853 O PHE A 592 -8.920 3.682 -1.097 1.00 0.00 O ATOM 854 CB PHE A 592 -11.222 1.636 -2.212 1.00 0.00 C ATOM 855 CG PHE A 592 -12.061 0.416 -2.009 1.00 0.00 C ATOM 856 CD1 PHE A 592 -11.479 -0.770 -1.624 1.00 0.00 C ATOM 857 CD2 PHE A 592 -13.430 0.459 -2.194 1.00 0.00 C ATOM 858 CE1 PHE A 592 -12.246 -1.901 -1.418 1.00 0.00 C ATOM 859 CE2 PHE A 592 -14.204 -0.666 -1.996 1.00 0.00 C ATOM 860 CZ PHE A 592 -13.611 -1.849 -1.608 1.00 0.00 C ATOM 0 H PHE A 592 -12.999 2.517 -0.741 1.00 0.00 H new ATOM 0 HA PHE A 592 -10.322 1.728 -0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 592 -11.734 2.311 -2.898 1.00 0.00 H new ATOM 0 HB3 PHE A 592 -10.284 1.349 -2.687 1.00 0.00 H new ATOM 0 HD1 PHE A 592 -10.410 -0.818 -1.481 1.00 0.00 H new ATOM 0 HD2 PHE A 592 -13.899 1.383 -2.497 1.00 0.00 H new ATOM 0 HE1 PHE A 592 -11.777 -2.824 -1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 592 -15.273 -0.620 -2.145 1.00 0.00 H new ATOM 0 HZ PHE A 592 -14.214 -2.732 -1.453 1.00 0.00 H new ATOM 870 N GLU A 593 -10.869 4.686 -1.581 1.00 0.00 N ATOM 871 CA GLU A 593 -10.287 5.989 -1.856 1.00 0.00 C ATOM 872 C GLU A 593 -9.573 6.548 -0.625 1.00 0.00 C ATOM 873 O GLU A 593 -8.458 7.057 -0.728 1.00 0.00 O ATOM 874 CB GLU A 593 -11.381 6.945 -2.337 1.00 0.00 C ATOM 875 CG GLU A 593 -11.828 6.662 -3.761 1.00 0.00 C ATOM 876 CD GLU A 593 -10.694 6.835 -4.749 1.00 0.00 C ATOM 877 OE1 GLU A 593 -10.458 7.976 -5.195 1.00 0.00 O ATOM 878 OE2 GLU A 593 -10.023 5.836 -5.075 1.00 0.00 O ATOM 0 H GLU A 593 -11.882 4.651 -1.697 1.00 0.00 H new ATOM 0 HA GLU A 593 -9.539 5.881 -2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 593 -12.240 6.871 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 593 -11.015 7.970 -2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 593 -12.215 5.645 -3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 593 -12.646 7.332 -4.025 1.00 0.00 H new ATOM 885 N HIS A 594 -10.210 6.433 0.538 1.00 0.00 N ATOM 886 CA HIS A 594 -9.611 6.893 1.790 1.00 0.00 C ATOM 887 C HIS A 594 -8.345 6.106 2.089 1.00 0.00 C ATOM 888 O HIS A 594 -7.301 6.678 2.401 1.00 0.00 O ATOM 889 CB HIS A 594 -10.583 6.735 2.968 1.00 0.00 C ATOM 890 CG HIS A 594 -11.856 7.513 2.844 1.00 0.00 C ATOM 891 ND1 HIS A 594 -13.078 7.033 3.271 1.00 0.00 N ATOM 892 CD2 HIS A 594 -12.097 8.743 2.336 1.00 0.00 C ATOM 893 CE1 HIS A 594 -14.010 7.935 3.029 1.00 0.00 C ATOM 894 NE2 HIS A 594 -13.444 8.983 2.459 1.00 0.00 N ATOM 0 H HIS A 594 -11.140 6.026 0.640 1.00 0.00 H new ATOM 0 HA HIS A 594 -9.374 7.950 1.668 1.00 0.00 H new ATOM 0 HB2 HIS A 594 -10.829 5.679 3.078 1.00 0.00 H new ATOM 0 HB3 HIS A 594 -10.075 7.041 3.883 1.00 0.00 H new ATOM 0 HD1 HIS A 594 -13.236 6.124 3.705 1.00 0.00 H new ATOM 0 HD2 HIS A 594 -11.365 9.414 1.911 1.00 0.00 H new ATOM 0 HE1 HIS A 594 -15.060 7.833 3.259 1.00 0.00 H new ATOM 903 N LYS A 595 -8.448 4.788 1.981 1.00 0.00 N ATOM 904 CA LYS A 595 -7.324 3.907 2.230 1.00 0.00 C ATOM 905 C LYS A 595 -6.208 4.171 1.225 1.00 0.00 C ATOM 906 O LYS A 595 -5.025 4.043 1.544 1.00 0.00 O ATOM 907 CB LYS A 595 -7.770 2.454 2.125 1.00 0.00 C ATOM 908 CG LYS A 595 -6.820 1.497 2.816 1.00 0.00 C ATOM 909 CD LYS A 595 -6.676 1.841 4.287 1.00 0.00 C ATOM 910 CE LYS A 595 -7.986 1.681 5.032 1.00 0.00 C ATOM 911 NZ LYS A 595 -7.889 2.159 6.436 1.00 0.00 N ATOM 0 H LYS A 595 -9.308 4.306 1.720 1.00 0.00 H new ATOM 0 HA LYS A 595 -6.948 4.100 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 595 -8.763 2.351 2.562 1.00 0.00 H new ATOM 0 HB3 LYS A 595 -7.854 2.180 1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 595 -7.187 0.476 2.712 1.00 0.00 H new ATOM 0 HG3 LYS A 595 -5.844 1.536 2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 595 -5.920 1.198 4.738 1.00 0.00 H new ATOM 0 HD3 LYS A 595 -6.323 2.867 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 595 -8.768 2.235 4.513 1.00 0.00 H new ATOM 0 HE3 LYS A 595 -8.281 0.632 5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 -8.720 1.836 6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 -7.026 1.778 6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 -7.852 3.198 6.447 1.00 0.00 H new ATOM 925 N ARG A 596 -6.601 4.512 0.006 1.00 0.00 N ATOM 926 CA ARG A 596 -5.654 4.824 -1.055 1.00 0.00 C ATOM 927 C ARG A 596 -4.812 6.033 -0.673 1.00 0.00 C ATOM 928 O ARG A 596 -3.623 6.080 -0.967 1.00 0.00 O ATOM 929 CB ARG A 596 -6.392 5.061 -2.381 1.00 0.00 C ATOM 930 CG ARG A 596 -5.508 4.935 -3.612 1.00 0.00 C ATOM 931 CD ARG A 596 -6.327 4.663 -4.870 1.00 0.00 C ATOM 932 NE ARG A 596 -7.266 5.742 -5.182 1.00 0.00 N ATOM 933 CZ ARG A 596 -6.958 6.816 -5.909 1.00 0.00 C ATOM 934 NH1 ARG A 596 -5.718 6.990 -6.353 1.00 0.00 N ATOM 935 NH2 ARG A 596 -7.898 7.713 -6.185 1.00 0.00 N ATOM 0 H ARG A 596 -7.579 4.580 -0.274 1.00 0.00 H new ATOM 0 HA ARG A 596 -4.985 3.974 -1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 596 -7.212 4.348 -2.461 1.00 0.00 H new ATOM 0 HB3 ARG A 596 -6.836 6.057 -2.365 1.00 0.00 H new ATOM 0 HG2 ARG A 596 -4.934 5.852 -3.743 1.00 0.00 H new ATOM 0 HG3 ARG A 596 -4.790 4.128 -3.464 1.00 0.00 H new ATOM 0 HD2 ARG A 596 -5.652 4.521 -5.714 1.00 0.00 H new ATOM 0 HD3 ARG A 596 -6.880 3.732 -4.744 1.00 0.00 H new ATOM 0 HE ARG A 596 -8.217 5.667 -4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 596 -4.998 6.300 -6.138 1.00 0.00 H new ATOM 0 HH12 ARG A 596 -5.486 7.813 -6.909 1.00 0.00 H new ATOM 0 HH21 ARG A 596 -8.849 7.578 -5.841 1.00 0.00 H new ATOM 0 HH22 ARG A 596 -7.669 8.537 -6.741 1.00 0.00 H new ATOM 949 N LYS A 597 -5.436 6.998 0.003 1.00 0.00 N ATOM 950 CA LYS A 597 -4.714 8.161 0.517 1.00 0.00 C ATOM 951 C LYS A 597 -3.715 7.716 1.578 1.00 0.00 C ATOM 952 O LYS A 597 -2.568 8.157 1.600 1.00 0.00 O ATOM 953 CB LYS A 597 -5.677 9.186 1.128 1.00 0.00 C ATOM 954 CG LYS A 597 -6.879 9.511 0.263 1.00 0.00 C ATOM 955 CD LYS A 597 -6.466 9.896 -1.138 1.00 0.00 C ATOM 956 CE LYS A 597 -7.670 10.211 -1.994 1.00 0.00 C ATOM 957 NZ LYS A 597 -7.277 10.777 -3.314 1.00 0.00 N ATOM 0 H LYS A 597 -6.435 6.997 0.207 1.00 0.00 H new ATOM 0 HA LYS A 597 -4.191 8.631 -0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -6.028 8.809 2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -5.129 10.107 1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -7.544 8.648 0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -7.443 10.327 0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -5.806 10.763 -1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -5.898 9.082 -1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -8.255 9.304 -2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -8.312 10.920 -1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -8.130 10.980 -3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -6.741 11.656 -3.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -6.685 10.090 -3.824 1.00 0.00 H new ATOM 971 N GLU A 598 -4.172 6.822 2.445 1.00 0.00 N ATOM 972 CA GLU A 598 -3.354 6.291 3.530 1.00 0.00 C ATOM 973 C GLU A 598 -2.118 5.575 2.995 1.00 0.00 C ATOM 974 O GLU A 598 -0.981 5.898 3.350 1.00 0.00 O ATOM 975 CB GLU A 598 -4.160 5.290 4.348 1.00 0.00 C ATOM 976 CG GLU A 598 -5.416 5.849 4.989 1.00 0.00 C ATOM 977 CD GLU A 598 -6.049 4.855 5.936 1.00 0.00 C ATOM 978 OE1 GLU A 598 -5.300 4.194 6.686 1.00 0.00 O ATOM 979 OE2 GLU A 598 -7.285 4.701 5.914 1.00 0.00 O ATOM 0 H GLU A 598 -5.119 6.444 2.417 1.00 0.00 H new ATOM 0 HA GLU A 598 -3.045 7.135 4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -4.439 4.457 3.702 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -3.520 4.885 5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -5.173 6.763 5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -6.132 6.119 4.213 1.00 0.00 H new ATOM 986 N LEU A 599 -2.366 4.585 2.150 1.00 0.00 N ATOM 987 CA LEU A 599 -1.307 3.762 1.582 1.00 0.00 C ATOM 988 C LEU A 599 -0.329 4.648 0.813 1.00 0.00 C ATOM 989 O LEU A 599 0.884 4.499 0.930 1.00 0.00 O ATOM 990 CB LEU A 599 -1.931 2.699 0.664 1.00 0.00 C ATOM 991 CG LEU A 599 -1.034 1.521 0.254 1.00 0.00 C ATOM 992 CD1 LEU A 599 0.052 1.956 -0.711 1.00 0.00 C ATOM 993 CD2 LEU A 599 -0.426 0.846 1.471 1.00 0.00 C ATOM 0 H LEU A 599 -3.303 4.330 1.839 1.00 0.00 H new ATOM 0 HA LEU A 599 -0.757 3.256 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -2.813 2.296 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -2.276 3.195 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 599 -1.667 0.797 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.667 1.096 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -0.405 2.370 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 599 0.676 2.715 -0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 599 0.204 0.016 1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 599 0.177 1.567 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -1.222 0.470 2.114 1.00 0.00 H new ATOM 1005 N GLU A 600 -0.873 5.588 0.062 1.00 0.00 N ATOM 1006 CA GLU A 600 -0.071 6.513 -0.720 1.00 0.00 C ATOM 1007 C GLU A 600 0.898 7.286 0.172 1.00 0.00 C ATOM 1008 O GLU A 600 2.077 7.406 -0.151 1.00 0.00 O ATOM 1009 CB GLU A 600 -0.995 7.466 -1.478 1.00 0.00 C ATOM 1010 CG GLU A 600 -0.297 8.347 -2.493 1.00 0.00 C ATOM 1011 CD GLU A 600 -1.277 8.962 -3.472 1.00 0.00 C ATOM 1012 OE1 GLU A 600 -1.977 9.923 -3.099 1.00 0.00 O ATOM 1013 OE2 GLU A 600 -1.361 8.475 -4.621 1.00 0.00 O ATOM 0 H GLU A 600 -1.879 5.732 -0.024 1.00 0.00 H new ATOM 0 HA GLU A 600 0.526 5.949 -1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 600 -1.759 6.880 -1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 600 -1.510 8.102 -0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 600 0.245 9.139 -1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 600 0.441 7.759 -3.038 1.00 0.00 H new ATOM 1020 N GLN A 601 0.416 7.780 1.309 1.00 0.00 N ATOM 1021 CA GLN A 601 1.262 8.536 2.225 1.00 0.00 C ATOM 1022 C GLN A 601 2.324 7.660 2.897 1.00 0.00 C ATOM 1023 O GLN A 601 3.361 8.172 3.316 1.00 0.00 O ATOM 1024 CB GLN A 601 0.429 9.245 3.291 1.00 0.00 C ATOM 1025 CG GLN A 601 -0.570 10.239 2.724 1.00 0.00 C ATOM 1026 CD GLN A 601 -1.293 11.026 3.800 1.00 0.00 C ATOM 1027 OE1 GLN A 601 -2.352 10.618 4.282 1.00 0.00 O ATOM 1028 NE2 GLN A 601 -0.729 12.159 4.190 1.00 0.00 N ATOM 0 H GLN A 601 -0.550 7.671 1.616 1.00 0.00 H new ATOM 0 HA GLN A 601 1.777 9.282 1.619 1.00 0.00 H new ATOM 0 HB2 GLN A 601 -0.107 8.498 3.877 1.00 0.00 H new ATOM 0 HB3 GLN A 601 1.098 9.766 3.975 1.00 0.00 H new ATOM 0 HG2 GLN A 601 -0.050 10.931 2.061 1.00 0.00 H new ATOM 0 HG3 GLN A 601 -1.302 9.706 2.117 1.00 0.00 H new ATOM 0 HE21 GLN A 601 0.148 12.464 3.768 1.00 0.00 H new ATOM 0 HE22 GLN A 601 -1.172 12.727 4.913 1.00 0.00 H new ATOM 1037 N VAL A 602 2.078 6.355 3.025 1.00 0.00 N ATOM 1038 CA VAL A 602 3.087 5.470 3.612 1.00 0.00 C ATOM 1039 C VAL A 602 4.210 5.202 2.607 1.00 0.00 C ATOM 1040 O VAL A 602 5.384 5.168 2.971 1.00 0.00 O ATOM 1041 CB VAL A 602 2.499 4.123 4.119 1.00 0.00 C ATOM 1042 CG1 VAL A 602 2.384 3.098 3.009 1.00 0.00 C ATOM 1043 CG2 VAL A 602 3.342 3.557 5.250 1.00 0.00 C ATOM 0 H VAL A 602 1.213 5.896 2.739 1.00 0.00 H new ATOM 0 HA VAL A 602 3.484 5.991 4.483 1.00 0.00 H new ATOM 0 HB VAL A 602 1.496 4.337 4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 602 1.969 2.173 3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 602 1.729 3.481 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 602 3.372 2.901 2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 602 2.911 2.615 5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 602 4.358 3.385 4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 602 3.362 4.265 6.078 1.00 0.00 H new ATOM 1053 N CYS A 603 3.840 5.025 1.341 1.00 0.00 N ATOM 1054 CA CYS A 603 4.804 4.740 0.285 1.00 0.00 C ATOM 1055 C CYS A 603 5.464 6.021 -0.225 1.00 0.00 C ATOM 1056 O CYS A 603 6.577 5.986 -0.725 1.00 0.00 O ATOM 1057 CB CYS A 603 4.133 3.995 -0.871 1.00 0.00 C ATOM 1058 SG CYS A 603 2.663 4.807 -1.535 1.00 0.00 S ATOM 0 H CYS A 603 2.873 5.075 1.022 1.00 0.00 H new ATOM 0 HA CYS A 603 5.581 4.104 0.709 1.00 0.00 H new ATOM 0 HB2 CYS A 603 4.858 3.870 -1.675 1.00 0.00 H new ATOM 0 HB3 CYS A 603 3.859 2.996 -0.532 1.00 0.00 H new ATOM 0 HG CYS A 603 1.689 4.710 -0.679 1.00 0.00 H new ATOM 1064 N ASN A 604 4.764 7.144 -0.100 1.00 0.00 N ATOM 1065 CA ASN A 604 5.235 8.437 -0.624 1.00 0.00 C ATOM 1066 C ASN A 604 6.680 8.773 -0.204 1.00 0.00 C ATOM 1067 O ASN A 604 7.506 9.074 -1.066 1.00 0.00 O ATOM 1068 CB ASN A 604 4.260 9.551 -0.204 1.00 0.00 C ATOM 1069 CG ASN A 604 4.811 10.952 -0.405 1.00 0.00 C ATOM 1070 OD1 ASN A 604 4.802 11.486 -1.512 1.00 0.00 O ATOM 1071 ND2 ASN A 604 5.237 11.575 0.682 1.00 0.00 N ATOM 0 H ASN A 604 3.857 7.192 0.364 1.00 0.00 H new ATOM 0 HA ASN A 604 5.255 8.360 -1.711 1.00 0.00 H new ATOM 0 HB2 ASN A 604 3.337 9.448 -0.774 1.00 0.00 H new ATOM 0 HB3 ASN A 604 4.002 9.419 0.847 1.00 0.00 H new ATOM 0 HD21 ASN A 604 5.575 12.535 0.620 1.00 0.00 H new ATOM 0 HD22 ASN A 604 5.228 11.095 1.582 1.00 0.00 H new ATOM 1078 N PRO A 605 7.028 8.729 1.104 1.00 0.00 N ATOM 1079 CA PRO A 605 8.403 9.003 1.556 1.00 0.00 C ATOM 1080 C PRO A 605 9.417 8.038 0.953 1.00 0.00 C ATOM 1081 O PRO A 605 10.566 8.396 0.699 1.00 0.00 O ATOM 1082 CB PRO A 605 8.328 8.816 3.071 1.00 0.00 C ATOM 1083 CG PRO A 605 6.898 9.031 3.395 1.00 0.00 C ATOM 1084 CD PRO A 605 6.143 8.442 2.242 1.00 0.00 C ATOM 0 HA PRO A 605 8.737 9.995 1.252 1.00 0.00 H new ATOM 0 HB2 PRO A 605 8.657 7.820 3.366 1.00 0.00 H new ATOM 0 HB3 PRO A 605 8.966 9.530 3.592 1.00 0.00 H new ATOM 0 HG2 PRO A 605 6.629 8.544 4.332 1.00 0.00 H new ATOM 0 HG3 PRO A 605 6.675 10.092 3.511 1.00 0.00 H new ATOM 0 HD2 PRO A 605 5.978 7.372 2.369 1.00 0.00 H new ATOM 0 HD3 PRO A 605 5.163 8.903 2.120 1.00 0.00 H new ATOM 1092 N ILE A 606 8.963 6.820 0.705 1.00 0.00 N ATOM 1093 CA ILE A 606 9.813 5.766 0.177 1.00 0.00 C ATOM 1094 C ILE A 606 9.956 5.913 -1.341 1.00 0.00 C ATOM 1095 O ILE A 606 11.039 5.740 -1.894 1.00 0.00 O ATOM 1096 CB ILE A 606 9.252 4.371 0.557 1.00 0.00 C ATOM 1097 CG1 ILE A 606 8.627 3.671 -0.651 1.00 0.00 C ATOM 1098 CG2 ILE A 606 8.239 4.496 1.690 1.00 0.00 C ATOM 1099 CD1 ILE A 606 7.680 2.552 -0.296 1.00 0.00 C ATOM 0 H ILE A 606 7.997 6.535 0.864 1.00 0.00 H new ATOM 0 HA ILE A 606 10.804 5.857 0.621 1.00 0.00 H new ATOM 0 HB ILE A 606 10.085 3.757 0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 606 8.091 4.409 -1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 606 9.424 3.272 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 606 7.855 3.508 1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 606 8.722 4.934 2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 606 7.415 5.135 1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 606 7.281 2.109 -1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 606 8.213 1.791 0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 606 6.860 2.946 0.304 1.00 0.00 H new ATOM 1111 N ILE A 607 8.849 6.258 -1.995 1.00 0.00 N ATOM 1112 CA ILE A 607 8.815 6.483 -3.434 1.00 0.00 C ATOM 1113 C ILE A 607 9.652 7.710 -3.793 1.00 0.00 C ATOM 1114 O ILE A 607 10.234 7.792 -4.877 1.00 0.00 O ATOM 1115 CB ILE A 607 7.340 6.631 -3.921 1.00 0.00 C ATOM 1116 CG1 ILE A 607 6.829 5.313 -4.526 1.00 0.00 C ATOM 1117 CG2 ILE A 607 7.176 7.768 -4.914 1.00 0.00 C ATOM 1118 CD1 ILE A 607 6.774 4.160 -3.546 1.00 0.00 C ATOM 0 H ILE A 607 7.947 6.389 -1.537 1.00 0.00 H new ATOM 0 HA ILE A 607 9.248 5.623 -3.944 1.00 0.00 H new ATOM 0 HB ILE A 607 6.738 6.873 -3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 607 5.831 5.476 -4.934 1.00 0.00 H new ATOM 0 HG13 ILE A 607 7.473 5.035 -5.360 1.00 0.00 H new ATOM 0 HG21 ILE A 607 6.133 7.832 -5.225 1.00 0.00 H new ATOM 0 HG22 ILE A 607 7.474 8.706 -4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 607 7.803 7.583 -5.786 1.00 0.00 H new ATOM 0 HD11 ILE A 607 6.403 3.269 -4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 607 7.773 3.966 -3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 607 6.106 4.414 -2.723 1.00 0.00 H new ATOM 1130 N SER A 608 9.740 8.642 -2.854 1.00 0.00 N ATOM 1131 CA SER A 608 10.582 9.819 -3.010 1.00 0.00 C ATOM 1132 C SER A 608 12.053 9.412 -3.113 1.00 0.00 C ATOM 1133 O SER A 608 12.872 10.143 -3.668 1.00 0.00 O ATOM 1134 CB SER A 608 10.368 10.770 -1.825 1.00 0.00 C ATOM 1135 OG SER A 608 11.182 11.929 -1.927 1.00 0.00 O ATOM 0 H SER A 608 9.234 8.604 -1.969 1.00 0.00 H new ATOM 0 HA SER A 608 10.306 10.334 -3.930 1.00 0.00 H new ATOM 0 HB2 SER A 608 9.320 11.065 -1.780 1.00 0.00 H new ATOM 0 HB3 SER A 608 10.593 10.248 -0.895 1.00 0.00 H new ATOM 0 HG SER A 608 11.018 12.512 -1.157 1.00 0.00 H new ATOM 1141 N GLY A 609 12.383 8.235 -2.589 1.00 0.00 N ATOM 1142 CA GLY A 609 13.746 7.751 -2.662 1.00 0.00 C ATOM 1143 C GLY A 609 13.916 6.683 -3.723 1.00 0.00 C ATOM 1144 O GLY A 609 15.019 6.186 -3.942 1.00 0.00 O ATOM 0 H GLY A 609 11.730 7.610 -2.116 1.00 0.00 H new ATOM 0 HA2 GLY A 609 14.415 8.584 -2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 609 14.040 7.348 -1.693 1.00 0.00 H new ATOM 1148 N LEU A 610 12.823 6.342 -4.392 1.00 0.00 N ATOM 1149 CA LEU A 610 12.837 5.302 -5.410 1.00 0.00 C ATOM 1150 C LEU A 610 12.750 5.914 -6.800 1.00 0.00 C ATOM 1151 O LEU A 610 13.808 6.082 -7.444 1.00 0.00 O ATOM 1152 CB LEU A 610 11.685 4.317 -5.187 1.00 0.00 C ATOM 1153 CG LEU A 610 11.813 3.433 -3.944 1.00 0.00 C ATOM 1154 CD1 LEU A 610 10.612 2.507 -3.826 1.00 0.00 C ATOM 1155 CD2 LEU A 610 13.104 2.629 -3.991 1.00 0.00 C ATOM 1156 OXT LEU A 610 11.633 6.232 -7.243 1.00 0.00 O ATOM 0 H LEU A 610 11.911 6.774 -4.246 1.00 0.00 H new ATOM 0 HA LEU A 610 13.778 4.757 -5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 610 10.755 4.881 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 610 11.603 3.674 -6.063 1.00 0.00 H new ATOM 0 HG LEU A 610 11.841 4.076 -3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 610 10.718 1.885 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 610 9.701 3.101 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 610 10.555 1.871 -4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 610 13.178 2.007 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 610 13.106 1.995 -4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 610 13.955 3.309 -4.030 1.00 0.00 H new