USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 845 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 549 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 550 ASN : amide:sc= -1.85 K(o=-1.8,f=-1.3) USER MOD Single : A 530 SER OG : rot 180:sc= 0 USER MOD Single : A 531 SER OG : rot 180:sc= 0 USER MOD Single : A 533 SER OG : rot 148:sc= 0.0204 USER MOD Single : A 534 SER OG : rot 180:sc= 0 USER MOD Single : A 540 ASN : amide:sc= -0.0619 K(o=-0.062,f=-0.62) USER MOD Single : A 541 SER OG : rot 180:sc= 0 USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 CYS SG : rot -120:sc= -0.427 USER MOD Single : A 547 HIS : no HE2:sc= -5.51! K(o=-5.5!,f=-3.3) USER MOD Single : A 554 SER OG : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0142) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 562 GLN : amide:sc= -0.0402 X(o=-0.04,f=-0.39) USER MOD Single : A 572 ASN : amide:sc= -1.42 K(o=-1.4,f=-5.5!) USER MOD Single : A 575 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-0.047) USER MOD Single : A 580 ASN : amide:sc= -0.393 K(o=-0.39,f=-3.1!) USER MOD Single : A 581 ASN : amide:sc= -0.0602 K(o=-0.06,f=-2!) USER MOD Single : A 583 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 587 GLN : amide:sc= 0 K(o=0,f=-3.5!) USER MOD Single : A 591 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 ASN : amide:sc= -0.0125 X(o=-0.012,f=-0.0037) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 601 SER OG : rot -19:sc= 0.973 USER MOD Single : A 605 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-7!) USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= -0.66 K(o=-0.66,f=-1.9!) USER MOD Single : A 617 HIS : no HD1:sc= -0.176 K(o=-0.18,f=-0.84) USER MOD Single : A 620 THR OG1 : rot 180:sc= 0.00314 USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 630 ASN : amide:sc= -0.787 K(o=-0.79,f=-2.4) USER MOD Single : A 634 GLN : amide:sc= -0.0526 K(o=-0.053,f=-1.5!) USER MOD Single : A 636 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 637 SER OG : rot 180:sc= -0.3 USER MOD Single : A 640 SER OG : rot 180:sc= 0 USER MOD Single : A 641 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 529 -13.952 15.026 8.327 1.00 0.00 N ATOM 2 CA GLY A 529 -13.195 15.066 7.090 1.00 0.00 C ATOM 3 C GLY A 529 -11.742 15.433 7.312 1.00 0.00 C ATOM 4 O GLY A 529 -10.896 14.559 7.506 1.00 0.00 O ATOM 0 HA2 GLY A 529 -13.250 14.093 6.602 1.00 0.00 H new ATOM 0 HA3 GLY A 529 -13.650 15.789 6.412 1.00 0.00 H new ATOM 8 N SER A 530 -11.449 16.729 7.283 1.00 0.00 N ATOM 9 CA SER A 530 -10.087 17.210 7.477 1.00 0.00 C ATOM 10 C SER A 530 -9.876 17.684 8.912 1.00 0.00 C ATOM 11 O SER A 530 -10.326 18.765 9.293 1.00 0.00 O ATOM 12 CB SER A 530 -9.781 18.350 6.502 1.00 0.00 C ATOM 13 OG SER A 530 -8.385 18.534 6.356 1.00 0.00 O ATOM 0 H SER A 530 -12.138 17.465 7.127 1.00 0.00 H new ATOM 0 HA SER A 530 -9.406 16.382 7.282 1.00 0.00 H new ATOM 0 HB2 SER A 530 -10.226 18.132 5.531 1.00 0.00 H new ATOM 0 HB3 SER A 530 -10.237 19.272 6.861 1.00 0.00 H new ATOM 0 HG SER A 530 -8.216 19.266 5.727 1.00 0.00 H new ATOM 19 N SER A 531 -9.190 16.867 9.704 1.00 0.00 N ATOM 20 CA SER A 531 -8.923 17.199 11.098 1.00 0.00 C ATOM 21 C SER A 531 -8.066 18.456 11.202 1.00 0.00 C ATOM 22 O SER A 531 -8.425 19.412 11.888 1.00 0.00 O ATOM 23 CB SER A 531 -8.225 16.032 11.798 1.00 0.00 C ATOM 24 OG SER A 531 -9.160 15.050 12.209 1.00 0.00 O ATOM 0 H SER A 531 -8.809 15.970 9.404 1.00 0.00 H new ATOM 0 HA SER A 531 -9.877 17.389 11.590 1.00 0.00 H new ATOM 0 HB2 SER A 531 -7.495 15.584 11.124 1.00 0.00 H new ATOM 0 HB3 SER A 531 -7.675 16.400 12.664 1.00 0.00 H new ATOM 0 HG SER A 531 -8.688 14.314 12.652 1.00 0.00 H new ATOM 30 N GLY A 532 -6.927 18.447 10.516 1.00 0.00 N ATOM 31 CA GLY A 532 -6.034 19.591 10.544 1.00 0.00 C ATOM 32 C GLY A 532 -4.712 19.312 9.856 1.00 0.00 C ATOM 33 O GLY A 532 -3.941 18.462 10.301 1.00 0.00 O ATOM 0 H GLY A 532 -6.607 17.668 9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -6.520 20.439 10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -5.848 19.878 11.579 1.00 0.00 H new ATOM 37 N SER A 533 -4.451 20.029 8.768 1.00 0.00 N ATOM 38 CA SER A 533 -3.216 19.850 8.013 1.00 0.00 C ATOM 39 C SER A 533 -2.997 21.010 7.047 1.00 0.00 C ATOM 40 O SER A 533 -3.950 21.562 6.497 1.00 0.00 O ATOM 41 CB SER A 533 -3.250 18.529 7.244 1.00 0.00 C ATOM 42 OG SER A 533 -4.268 18.538 6.259 1.00 0.00 O ATOM 0 H SER A 533 -5.078 20.739 8.389 1.00 0.00 H new ATOM 0 HA SER A 533 -2.387 19.828 8.720 1.00 0.00 H new ATOM 0 HB2 SER A 533 -2.284 18.355 6.771 1.00 0.00 H new ATOM 0 HB3 SER A 533 -3.418 17.705 7.938 1.00 0.00 H new ATOM 0 HG SER A 533 -3.985 17.998 5.491 1.00 0.00 H new ATOM 48 N SER A 534 -1.735 21.373 6.844 1.00 0.00 N ATOM 49 CA SER A 534 -1.390 22.470 5.946 1.00 0.00 C ATOM 50 C SER A 534 0.033 22.311 5.417 1.00 0.00 C ATOM 51 O SER A 534 0.920 21.836 6.123 1.00 0.00 O ATOM 52 CB SER A 534 -1.531 23.812 6.667 1.00 0.00 C ATOM 53 OG SER A 534 -0.560 23.945 7.691 1.00 0.00 O ATOM 0 H SER A 534 -0.934 20.924 7.289 1.00 0.00 H new ATOM 0 HA SER A 534 -2.079 22.446 5.101 1.00 0.00 H new ATOM 0 HB2 SER A 534 -1.423 24.626 5.951 1.00 0.00 H new ATOM 0 HB3 SER A 534 -2.530 23.895 7.095 1.00 0.00 H new ATOM 0 HG SER A 534 -0.670 24.811 8.136 1.00 0.00 H new ATOM 59 N GLY A 535 0.242 22.715 4.167 1.00 0.00 N ATOM 60 CA GLY A 535 1.556 22.611 3.564 1.00 0.00 C ATOM 61 C GLY A 535 1.548 22.965 2.090 1.00 0.00 C ATOM 62 O GLY A 535 1.117 22.169 1.257 1.00 0.00 O ATOM 0 H GLY A 535 -0.477 23.112 3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 535 2.246 23.271 4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 535 1.930 21.595 3.688 1.00 0.00 H new ATOM 66 N GLU A 536 2.024 24.165 1.769 1.00 0.00 N ATOM 67 CA GLU A 536 2.067 24.623 0.386 1.00 0.00 C ATOM 68 C GLU A 536 3.497 24.614 -0.147 1.00 0.00 C ATOM 69 O GLU A 536 4.163 25.647 -0.186 1.00 0.00 O ATOM 70 CB GLU A 536 1.479 26.032 0.273 1.00 0.00 C ATOM 71 CG GLU A 536 -0.040 26.060 0.304 1.00 0.00 C ATOM 72 CD GLU A 536 -0.606 25.604 1.635 1.00 0.00 C ATOM 73 OE1 GLU A 536 -0.465 26.350 2.626 1.00 0.00 O ATOM 74 OE2 GLU A 536 -1.190 24.500 1.685 1.00 0.00 O ATOM 0 H GLU A 536 2.385 24.836 2.448 1.00 0.00 H new ATOM 0 HA GLU A 536 1.469 23.937 -0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 536 1.862 26.644 1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 536 1.824 26.488 -0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 536 -0.385 27.073 0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 536 -0.428 25.421 -0.489 1.00 0.00 H new ATOM 81 N GLY A 537 3.962 23.438 -0.556 1.00 0.00 N ATOM 82 CA GLY A 537 5.311 23.315 -1.080 1.00 0.00 C ATOM 83 C GLY A 537 5.416 22.263 -2.166 1.00 0.00 C ATOM 84 O GLY A 537 4.436 21.965 -2.849 1.00 0.00 O ATOM 0 H GLY A 537 3.430 22.568 -0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 537 5.632 24.277 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 537 5.992 23.063 -0.267 1.00 0.00 H new ATOM 88 N ASP A 538 6.609 21.701 -2.329 1.00 0.00 N ATOM 89 CA ASP A 538 6.840 20.677 -3.341 1.00 0.00 C ATOM 90 C ASP A 538 7.397 19.405 -2.710 1.00 0.00 C ATOM 91 O ASP A 538 7.082 18.296 -3.142 1.00 0.00 O ATOM 92 CB ASP A 538 7.803 21.195 -4.410 1.00 0.00 C ATOM 93 CG ASP A 538 8.016 20.196 -5.530 1.00 0.00 C ATOM 94 OD1 ASP A 538 7.156 20.125 -6.433 1.00 0.00 O ATOM 95 OD2 ASP A 538 9.042 19.486 -5.504 1.00 0.00 O ATOM 0 H ASP A 538 7.431 21.937 -1.773 1.00 0.00 H new ATOM 0 HA ASP A 538 5.884 20.440 -3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 538 7.414 22.125 -4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 538 8.762 21.429 -3.948 1.00 0.00 H new ATOM 100 N VAL A 539 8.227 19.574 -1.685 1.00 0.00 N ATOM 101 CA VAL A 539 8.828 18.439 -0.994 1.00 0.00 C ATOM 102 C VAL A 539 8.023 18.060 0.244 1.00 0.00 C ATOM 103 O VAL A 539 8.583 17.630 1.252 1.00 0.00 O ATOM 104 CB VAL A 539 10.279 18.740 -0.578 1.00 0.00 C ATOM 105 CG1 VAL A 539 11.166 18.895 -1.804 1.00 0.00 C ATOM 106 CG2 VAL A 539 10.336 19.988 0.292 1.00 0.00 C ATOM 0 H VAL A 539 8.498 20.485 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 539 8.825 17.604 -1.695 1.00 0.00 H new ATOM 0 HB VAL A 539 10.652 17.899 0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 539 12.188 19.107 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 539 11.149 17.972 -2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 539 10.797 19.717 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 539 11.369 20.186 0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 539 9.944 20.839 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 539 9.735 19.834 1.189 1.00 0.00 H new ATOM 116 N ASN A 540 6.707 18.224 0.161 1.00 0.00 N ATOM 117 CA ASN A 540 5.824 17.899 1.275 1.00 0.00 C ATOM 118 C ASN A 540 4.698 16.974 0.826 1.00 0.00 C ATOM 119 O ASN A 540 4.338 16.031 1.531 1.00 0.00 O ATOM 120 CB ASN A 540 5.239 19.179 1.879 1.00 0.00 C ATOM 121 CG ASN A 540 6.291 20.246 2.104 1.00 0.00 C ATOM 122 OD1 ASN A 540 6.412 21.189 1.321 1.00 0.00 O ATOM 123 ND2 ASN A 540 7.060 20.102 3.177 1.00 0.00 N ATOM 0 H ASN A 540 6.228 18.580 -0.666 1.00 0.00 H new ATOM 0 HA ASN A 540 6.412 17.383 2.034 1.00 0.00 H new ATOM 0 HB2 ASN A 540 4.466 19.569 1.217 1.00 0.00 H new ATOM 0 HB3 ASN A 540 4.757 18.942 2.828 1.00 0.00 H new ATOM 0 HD21 ASN A 540 7.786 20.789 3.380 1.00 0.00 H new ATOM 0 HD22 ASN A 540 6.924 19.305 3.798 1.00 0.00 H new ATOM 130 N SER A 541 4.147 17.250 -0.351 1.00 0.00 N ATOM 131 CA SER A 541 3.060 16.443 -0.894 1.00 0.00 C ATOM 132 C SER A 541 3.585 15.442 -1.918 1.00 0.00 C ATOM 133 O SER A 541 2.991 15.253 -2.979 1.00 0.00 O ATOM 134 CB SER A 541 2.003 17.343 -1.539 1.00 0.00 C ATOM 135 OG SER A 541 2.574 18.158 -2.549 1.00 0.00 O ATOM 0 H SER A 541 4.435 18.026 -0.947 1.00 0.00 H new ATOM 0 HA SER A 541 2.605 15.890 -0.072 1.00 0.00 H new ATOM 0 HB2 SER A 541 1.211 16.729 -1.967 1.00 0.00 H new ATOM 0 HB3 SER A 541 1.542 17.972 -0.777 1.00 0.00 H new ATOM 0 HG SER A 541 1.878 18.722 -2.946 1.00 0.00 H new ATOM 141 N ALA A 542 4.703 14.803 -1.591 1.00 0.00 N ATOM 142 CA ALA A 542 5.309 13.819 -2.481 1.00 0.00 C ATOM 143 C ALA A 542 4.672 12.446 -2.294 1.00 0.00 C ATOM 144 O ALA A 542 4.464 11.993 -1.168 1.00 0.00 O ATOM 145 CB ALA A 542 6.810 13.744 -2.242 1.00 0.00 C ATOM 0 H ALA A 542 5.208 14.949 -0.717 1.00 0.00 H new ATOM 0 HA ALA A 542 5.132 14.137 -3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 542 7.249 13.006 -2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 542 7.258 14.719 -2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 542 7.000 13.453 -1.209 1.00 0.00 H new ATOM 151 N LYS A 543 4.363 11.785 -3.405 1.00 0.00 N ATOM 152 CA LYS A 543 3.751 10.463 -3.366 1.00 0.00 C ATOM 153 C LYS A 543 4.764 9.408 -2.934 1.00 0.00 C ATOM 154 O LYS A 543 5.274 8.649 -3.759 1.00 0.00 O ATOM 155 CB LYS A 543 3.176 10.103 -4.737 1.00 0.00 C ATOM 156 CG LYS A 543 1.753 10.593 -4.948 1.00 0.00 C ATOM 157 CD LYS A 543 1.476 10.889 -6.412 1.00 0.00 C ATOM 158 CE LYS A 543 2.029 12.246 -6.819 1.00 0.00 C ATOM 159 NZ LYS A 543 1.300 12.815 -7.987 1.00 0.00 N ATOM 0 H LYS A 543 4.527 12.145 -4.345 1.00 0.00 H new ATOM 0 HA LYS A 543 2.942 10.486 -2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.815 10.525 -5.512 1.00 0.00 H new ATOM 0 HB3 LYS A 543 3.200 9.020 -4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 543 1.051 9.840 -4.589 1.00 0.00 H new ATOM 0 HG3 LYS A 543 1.586 11.493 -4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 543 1.922 10.112 -7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 543 0.401 10.863 -6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 543 1.959 12.934 -5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 543 3.087 12.149 -7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 1.707 13.740 -8.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 1.388 12.171 -8.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 0.295 12.932 -7.746 1.00 0.00 H new ATOM 173 N VAL A 544 5.050 9.363 -1.637 1.00 0.00 N ATOM 174 CA VAL A 544 6.000 8.397 -1.097 1.00 0.00 C ATOM 175 C VAL A 544 5.284 7.299 -0.319 1.00 0.00 C ATOM 176 O VAL A 544 5.859 6.686 0.581 1.00 0.00 O ATOM 177 CB VAL A 544 7.027 9.078 -0.172 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.907 10.034 -0.965 1.00 0.00 C ATOM 179 CG2 VAL A 544 6.323 9.806 0.962 1.00 0.00 C ATOM 0 H VAL A 544 4.638 9.984 -0.941 1.00 0.00 H new ATOM 0 HA VAL A 544 6.522 7.956 -1.947 1.00 0.00 H new ATOM 0 HB VAL A 544 7.665 8.309 0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 544 8.626 10.506 -0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 544 8.440 9.481 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 544 7.286 10.800 -1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 544 7.064 10.281 1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 544 5.660 10.566 0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.740 9.093 1.545 1.00 0.00 H new ATOM 189 N CYS A 545 4.027 7.054 -0.673 1.00 0.00 N ATOM 190 CA CYS A 545 3.232 6.027 -0.008 1.00 0.00 C ATOM 191 C CYS A 545 2.355 5.284 -1.010 1.00 0.00 C ATOM 192 O CYS A 545 1.951 5.843 -2.030 1.00 0.00 O ATOM 193 CB CYS A 545 2.362 6.654 1.082 1.00 0.00 C ATOM 194 SG CYS A 545 3.289 7.247 2.517 1.00 0.00 S ATOM 0 H CYS A 545 3.537 7.552 -1.416 1.00 0.00 H new ATOM 0 HA CYS A 545 3.916 5.312 0.449 1.00 0.00 H new ATOM 0 HB2 CYS A 545 1.805 7.487 0.653 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.629 5.919 1.415 1.00 0.00 H new ATOM 0 HG CYS A 545 2.885 6.623 3.583 1.00 0.00 H new ATOM 200 N ALA A 546 2.066 4.022 -0.715 1.00 0.00 N ATOM 201 CA ALA A 546 1.238 3.202 -1.589 1.00 0.00 C ATOM 202 C ALA A 546 0.383 2.229 -0.783 1.00 0.00 C ATOM 203 O ALA A 546 0.857 1.617 0.173 1.00 0.00 O ATOM 204 CB ALA A 546 2.107 2.446 -2.584 1.00 0.00 C ATOM 0 H ALA A 546 2.394 3.544 0.124 1.00 0.00 H new ATOM 0 HA ALA A 546 0.568 3.863 -2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.475 1.837 -3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.668 3.157 -3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 546 2.801 1.802 -2.045 1.00 0.00 H new ATOM 210 N HIS A 547 -0.880 2.093 -1.176 1.00 0.00 N ATOM 211 CA HIS A 547 -1.801 1.194 -0.490 1.00 0.00 C ATOM 212 C HIS A 547 -2.041 -0.069 -1.311 1.00 0.00 C ATOM 213 O HIS A 547 -2.048 -0.028 -2.542 1.00 0.00 O ATOM 214 CB HIS A 547 -3.130 1.901 -0.219 1.00 0.00 C ATOM 215 CG HIS A 547 -4.069 1.103 0.632 1.00 0.00 C ATOM 216 ND1 HIS A 547 -5.437 1.114 0.455 1.00 0.00 N ATOM 217 CD2 HIS A 547 -3.832 0.267 1.669 1.00 0.00 C ATOM 218 CE1 HIS A 547 -5.999 0.318 1.348 1.00 0.00 C ATOM 219 NE2 HIS A 547 -5.047 -0.207 2.096 1.00 0.00 N ATOM 0 H HIS A 547 -1.288 2.594 -1.965 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.350 0.908 0.460 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -2.932 2.855 0.269 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.614 2.124 -1.170 1.00 0.00 H new ATOM 0 HD1 HIS A 547 -5.936 1.652 -0.253 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -2.866 0.019 2.084 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -7.058 0.129 1.448 1.00 0.00 H new ATOM 227 N ILE A 548 -2.236 -1.189 -0.623 1.00 0.00 N ATOM 228 CA ILE A 548 -2.477 -2.462 -1.289 1.00 0.00 C ATOM 229 C ILE A 548 -3.747 -3.126 -0.765 1.00 0.00 C ATOM 230 O ILE A 548 -3.842 -3.465 0.415 1.00 0.00 O ATOM 231 CB ILE A 548 -1.292 -3.428 -1.102 1.00 0.00 C ATOM 232 CG1 ILE A 548 0.028 -2.716 -1.404 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.457 -4.648 -1.994 1.00 0.00 C ATOM 234 CD1 ILE A 548 1.237 -3.408 -0.818 1.00 0.00 C ATOM 0 H ILE A 548 -2.232 -1.240 0.396 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.595 -2.245 -2.351 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.275 -3.760 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 548 0.151 -2.640 -2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 548 -0.021 -1.698 -1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -0.612 -5.321 -1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.381 -5.166 -1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.497 -4.333 -3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 548 2.136 -2.847 -1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 548 1.136 -3.460 0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 548 1.311 -4.417 -1.224 1.00 0.00 H new ATOM 246 N THR A 549 -4.720 -3.309 -1.651 1.00 0.00 N ATOM 247 CA THR A 549 -5.984 -3.933 -1.279 1.00 0.00 C ATOM 248 C THR A 549 -6.271 -5.154 -2.146 1.00 0.00 C ATOM 249 O THR A 549 -5.493 -5.490 -3.037 1.00 0.00 O ATOM 250 CB THR A 549 -7.157 -2.942 -1.403 1.00 0.00 C ATOM 251 OG1 THR A 549 -7.379 -2.614 -2.780 1.00 0.00 O ATOM 252 CG2 THR A 549 -6.879 -1.672 -0.613 1.00 0.00 C ATOM 0 H THR A 549 -4.657 -3.034 -2.631 1.00 0.00 H new ATOM 0 HA THR A 549 -5.889 -4.244 -0.239 1.00 0.00 H new ATOM 0 HB THR A 549 -8.049 -3.417 -0.995 1.00 0.00 H new ATOM 0 HG1 THR A 549 -8.127 -1.985 -2.850 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.721 -0.988 -0.716 1.00 0.00 H new ATOM 0 HG22 THR A 549 -6.740 -1.921 0.439 1.00 0.00 H new ATOM 0 HG23 THR A 549 -5.976 -1.196 -0.995 1.00 0.00 H new ATOM 260 N ASN A 550 -7.394 -5.812 -1.879 1.00 0.00 N ATOM 261 CA ASN A 550 -7.784 -6.996 -2.636 1.00 0.00 C ATOM 262 C ASN A 550 -6.766 -8.118 -2.453 1.00 0.00 C ATOM 263 O ASN A 550 -6.355 -8.761 -3.419 1.00 0.00 O ATOM 264 CB ASN A 550 -7.922 -6.656 -4.120 1.00 0.00 C ATOM 265 CG ASN A 550 -9.320 -6.188 -4.479 1.00 0.00 C ATOM 266 OD1 ASN A 550 -9.799 -5.177 -3.966 1.00 0.00 O ATOM 267 ND2 ASN A 550 -9.981 -6.925 -5.364 1.00 0.00 N ATOM 0 H ASN A 550 -8.050 -5.546 -1.145 1.00 0.00 H new ATOM 0 HA ASN A 550 -8.747 -7.337 -2.257 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -7.204 -5.879 -4.380 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -7.671 -7.534 -4.716 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -10.925 -6.660 -5.644 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -9.544 -7.756 -5.764 1.00 0.00 H new ATOM 274 N ILE A 551 -6.365 -8.348 -1.207 1.00 0.00 N ATOM 275 CA ILE A 551 -5.396 -9.392 -0.898 1.00 0.00 C ATOM 276 C ILE A 551 -5.982 -10.414 0.073 1.00 0.00 C ATOM 277 O ILE A 551 -6.907 -10.126 0.832 1.00 0.00 O ATOM 278 CB ILE A 551 -4.108 -8.805 -0.292 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.449 -7.722 0.733 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.216 -8.244 -1.388 1.00 0.00 C ATOM 281 CD1 ILE A 551 -3.268 -7.296 1.577 1.00 0.00 C ATOM 0 H ILE A 551 -6.696 -7.826 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.152 -9.885 -1.839 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.566 -9.602 0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -4.845 -6.851 0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -5.240 -8.089 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.309 -7.833 -0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -2.951 -9.040 -2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -3.748 -7.457 -1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -3.583 -6.526 2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -2.885 -8.156 2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.484 -6.899 0.932 1.00 0.00 H new ATOM 293 N PRO A 552 -5.429 -11.636 0.050 1.00 0.00 N ATOM 294 CA PRO A 552 -5.878 -12.724 0.923 1.00 0.00 C ATOM 295 C PRO A 552 -5.408 -12.544 2.363 1.00 0.00 C ATOM 296 O PRO A 552 -4.210 -12.446 2.626 1.00 0.00 O ATOM 297 CB PRO A 552 -5.235 -13.966 0.302 1.00 0.00 C ATOM 298 CG PRO A 552 -4.011 -13.458 -0.379 1.00 0.00 C ATOM 299 CD PRO A 552 -4.322 -12.048 -0.829 1.00 0.00 C ATOM 0 HA PRO A 552 -6.965 -12.775 0.983 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -4.987 -14.706 1.063 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -5.909 -14.450 -0.405 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -3.157 -13.469 0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -3.751 -14.088 -1.230 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -3.458 -11.393 -0.718 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -4.612 -12.018 -1.879 1.00 0.00 H new ATOM 307 N PHE A 553 -6.359 -12.502 3.290 1.00 0.00 N ATOM 308 CA PHE A 553 -6.042 -12.333 4.703 1.00 0.00 C ATOM 309 C PHE A 553 -5.270 -13.537 5.234 1.00 0.00 C ATOM 310 O PHE A 553 -4.823 -13.544 6.381 1.00 0.00 O ATOM 311 CB PHE A 553 -7.323 -12.136 5.515 1.00 0.00 C ATOM 312 CG PHE A 553 -8.457 -13.014 5.068 1.00 0.00 C ATOM 313 CD1 PHE A 553 -8.629 -14.276 5.612 1.00 0.00 C ATOM 314 CD2 PHE A 553 -9.351 -12.576 4.104 1.00 0.00 C ATOM 315 CE1 PHE A 553 -9.672 -15.086 5.204 1.00 0.00 C ATOM 316 CE2 PHE A 553 -10.396 -13.382 3.691 1.00 0.00 C ATOM 317 CZ PHE A 553 -10.556 -14.639 4.241 1.00 0.00 C ATOM 0 H PHE A 553 -7.356 -12.583 3.088 1.00 0.00 H new ATOM 0 HA PHE A 553 -5.415 -11.447 4.806 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -7.112 -12.335 6.566 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -7.632 -11.093 5.444 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -7.940 -14.631 6.364 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -9.230 -11.594 3.670 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -9.796 -16.067 5.638 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -11.086 -13.029 2.939 1.00 0.00 H new ATOM 0 HZ PHE A 553 -11.370 -15.271 3.919 1.00 0.00 H new ATOM 327 N SER A 554 -5.117 -14.554 4.392 1.00 0.00 N ATOM 328 CA SER A 554 -4.404 -15.766 4.778 1.00 0.00 C ATOM 329 C SER A 554 -2.915 -15.485 4.957 1.00 0.00 C ATOM 330 O SER A 554 -2.279 -16.014 5.869 1.00 0.00 O ATOM 331 CB SER A 554 -4.605 -16.858 3.725 1.00 0.00 C ATOM 332 OG SER A 554 -5.924 -17.375 3.773 1.00 0.00 O ATOM 0 H SER A 554 -5.477 -14.563 3.438 1.00 0.00 H new ATOM 0 HA SER A 554 -4.809 -16.110 5.730 1.00 0.00 H new ATOM 0 HB2 SER A 554 -4.406 -16.452 2.733 1.00 0.00 H new ATOM 0 HB3 SER A 554 -3.889 -17.663 3.890 1.00 0.00 H new ATOM 0 HG SER A 554 -6.028 -18.070 3.090 1.00 0.00 H new ATOM 338 N ILE A 555 -2.367 -14.650 4.082 1.00 0.00 N ATOM 339 CA ILE A 555 -0.954 -14.298 4.143 1.00 0.00 C ATOM 340 C ILE A 555 -0.692 -13.264 5.234 1.00 0.00 C ATOM 341 O ILE A 555 -1.615 -12.608 5.718 1.00 0.00 O ATOM 342 CB ILE A 555 -0.452 -13.745 2.796 1.00 0.00 C ATOM 343 CG1 ILE A 555 -0.950 -12.312 2.591 1.00 0.00 C ATOM 344 CG2 ILE A 555 -0.907 -14.639 1.653 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.342 -11.628 1.387 1.00 0.00 C ATOM 0 H ILE A 555 -2.880 -14.204 3.322 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.411 -15.214 4.375 1.00 0.00 H new ATOM 0 HB ILE A 555 0.638 -13.733 2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -2.034 -12.325 2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -0.726 -11.727 3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -0.544 -14.235 0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -0.507 -15.643 1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -1.996 -14.681 1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -0.740 -10.617 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.741 -11.583 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -0.588 -12.190 0.486 1.00 0.00 H new ATOM 357 N THR A 556 0.574 -13.123 5.616 1.00 0.00 N ATOM 358 CA THR A 556 0.958 -12.169 6.648 1.00 0.00 C ATOM 359 C THR A 556 2.081 -11.258 6.165 1.00 0.00 C ATOM 360 O THR A 556 2.531 -11.363 5.025 1.00 0.00 O ATOM 361 CB THR A 556 1.411 -12.886 7.934 1.00 0.00 C ATOM 362 OG1 THR A 556 2.340 -13.926 7.614 1.00 0.00 O ATOM 363 CG2 THR A 556 0.219 -13.473 8.675 1.00 0.00 C ATOM 0 H THR A 556 1.350 -13.658 5.226 1.00 0.00 H new ATOM 0 HA THR A 556 0.076 -11.568 6.867 1.00 0.00 H new ATOM 0 HB THR A 556 1.895 -12.154 8.580 1.00 0.00 H new ATOM 0 HG1 THR A 556 2.624 -14.375 8.437 1.00 0.00 H new ATOM 0 HG21 THR A 556 0.564 -13.974 9.579 1.00 0.00 H new ATOM 0 HG22 THR A 556 -0.472 -12.674 8.944 1.00 0.00 H new ATOM 0 HG23 THR A 556 -0.290 -14.192 8.033 1.00 0.00 H new ATOM 371 N LYS A 557 2.529 -10.365 7.040 1.00 0.00 N ATOM 372 CA LYS A 557 3.601 -9.436 6.704 1.00 0.00 C ATOM 373 C LYS A 557 4.661 -10.116 5.843 1.00 0.00 C ATOM 374 O LYS A 557 4.873 -9.739 4.691 1.00 0.00 O ATOM 375 CB LYS A 557 4.243 -8.882 7.979 1.00 0.00 C ATOM 376 CG LYS A 557 4.805 -7.480 7.818 1.00 0.00 C ATOM 377 CD LYS A 557 3.753 -6.422 8.110 1.00 0.00 C ATOM 378 CE LYS A 557 4.380 -5.047 8.281 1.00 0.00 C ATOM 379 NZ LYS A 557 5.030 -4.896 9.613 1.00 0.00 N ATOM 0 H LYS A 557 2.166 -10.265 7.988 1.00 0.00 H new ATOM 0 HA LYS A 557 3.169 -8.613 6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.500 -8.877 8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 557 5.044 -9.551 8.293 1.00 0.00 H new ATOM 0 HG2 LYS A 557 5.653 -7.347 8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 557 5.180 -7.351 6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 557 3.028 -6.394 7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 557 3.207 -6.690 9.015 1.00 0.00 H new ATOM 0 HE2 LYS A 557 5.118 -4.884 7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 557 3.614 -4.281 8.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 5.371 -3.920 9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 4.341 -5.109 10.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 5.833 -5.553 9.684 1.00 0.00 H new ATOM 393 N MET A 558 5.322 -11.121 6.410 1.00 0.00 N ATOM 394 CA MET A 558 6.357 -11.855 5.692 1.00 0.00 C ATOM 395 C MET A 558 6.006 -11.984 4.213 1.00 0.00 C ATOM 396 O MET A 558 6.726 -11.483 3.348 1.00 0.00 O ATOM 397 CB MET A 558 6.547 -13.243 6.307 1.00 0.00 C ATOM 398 CG MET A 558 7.775 -13.974 5.788 1.00 0.00 C ATOM 399 SD MET A 558 9.317 -13.231 6.355 1.00 0.00 S ATOM 400 CE MET A 558 10.325 -13.379 4.882 1.00 0.00 C ATOM 0 H MET A 558 5.159 -11.445 7.363 1.00 0.00 H new ATOM 0 HA MET A 558 7.289 -11.297 5.778 1.00 0.00 H new ATOM 0 HB2 MET A 558 6.623 -13.144 7.390 1.00 0.00 H new ATOM 0 HB3 MET A 558 5.662 -13.846 6.103 1.00 0.00 H new ATOM 0 HG2 MET A 558 7.737 -15.014 6.111 1.00 0.00 H new ATOM 0 HG3 MET A 558 7.757 -13.978 4.698 1.00 0.00 H new ATOM 0 HE1 MET A 558 11.313 -12.962 5.074 1.00 0.00 H new ATOM 0 HE2 MET A 558 10.421 -14.430 4.611 1.00 0.00 H new ATOM 0 HE3 MET A 558 9.854 -12.835 4.063 1.00 0.00 H new ATOM 410 N ASP A 559 4.898 -12.659 3.930 1.00 0.00 N ATOM 411 CA ASP A 559 4.450 -12.853 2.556 1.00 0.00 C ATOM 412 C ASP A 559 4.466 -11.535 1.787 1.00 0.00 C ATOM 413 O ASP A 559 5.106 -11.423 0.741 1.00 0.00 O ATOM 414 CB ASP A 559 3.044 -13.454 2.535 1.00 0.00 C ATOM 415 CG ASP A 559 3.007 -14.863 3.093 1.00 0.00 C ATOM 416 OD1 ASP A 559 3.212 -15.815 2.313 1.00 0.00 O ATOM 417 OD2 ASP A 559 2.772 -15.013 4.311 1.00 0.00 O ATOM 0 H ASP A 559 4.293 -13.081 4.634 1.00 0.00 H new ATOM 0 HA ASP A 559 5.139 -13.544 2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 559 2.372 -12.820 3.114 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.671 -13.462 1.511 1.00 0.00 H new ATOM 422 N VAL A 560 3.757 -10.542 2.313 1.00 0.00 N ATOM 423 CA VAL A 560 3.690 -9.232 1.677 1.00 0.00 C ATOM 424 C VAL A 560 5.078 -8.738 1.285 1.00 0.00 C ATOM 425 O VAL A 560 5.280 -8.230 0.182 1.00 0.00 O ATOM 426 CB VAL A 560 3.029 -8.192 2.602 1.00 0.00 C ATOM 427 CG1 VAL A 560 3.188 -6.792 2.030 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.561 -8.526 2.816 1.00 0.00 C ATOM 0 H VAL A 560 3.221 -10.620 3.177 1.00 0.00 H new ATOM 0 HA VAL A 560 3.083 -9.348 0.779 1.00 0.00 H new ATOM 0 HB VAL A 560 3.529 -8.222 3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 560 2.715 -6.071 2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 560 4.248 -6.557 1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 560 2.715 -6.744 1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 560 1.110 -7.781 3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 560 1.044 -8.525 1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.475 -9.512 3.274 1.00 0.00 H new ATOM 438 N LEU A 561 6.033 -8.892 2.196 1.00 0.00 N ATOM 439 CA LEU A 561 7.404 -8.463 1.946 1.00 0.00 C ATOM 440 C LEU A 561 7.977 -9.159 0.715 1.00 0.00 C ATOM 441 O LEU A 561 8.757 -8.571 -0.035 1.00 0.00 O ATOM 442 CB LEU A 561 8.281 -8.756 3.165 1.00 0.00 C ATOM 443 CG LEU A 561 7.939 -7.981 4.439 1.00 0.00 C ATOM 444 CD1 LEU A 561 8.685 -8.559 5.631 1.00 0.00 C ATOM 445 CD2 LEU A 561 8.264 -6.504 4.269 1.00 0.00 C ATOM 0 H LEU A 561 5.883 -9.311 3.114 1.00 0.00 H new ATOM 0 HA LEU A 561 7.394 -7.389 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 561 8.219 -9.822 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 561 9.317 -8.544 2.902 1.00 0.00 H new ATOM 0 HG LEU A 561 6.869 -8.078 4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.430 -7.995 6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 561 8.402 -9.603 5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 561 9.759 -8.494 5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 561 8.014 -5.969 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 561 9.327 -6.387 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 561 7.684 -6.097 3.441 1.00 0.00 H new ATOM 457 N GLN A 562 7.583 -10.412 0.514 1.00 0.00 N ATOM 458 CA GLN A 562 8.057 -11.187 -0.628 1.00 0.00 C ATOM 459 C GLN A 562 7.534 -10.603 -1.936 1.00 0.00 C ATOM 460 O GLN A 562 8.275 -10.476 -2.911 1.00 0.00 O ATOM 461 CB GLN A 562 7.620 -12.647 -0.496 1.00 0.00 C ATOM 462 CG GLN A 562 8.120 -13.535 -1.624 1.00 0.00 C ATOM 463 CD GLN A 562 7.276 -14.781 -1.804 1.00 0.00 C ATOM 464 OE1 GLN A 562 6.047 -14.714 -1.826 1.00 0.00 O ATOM 465 NE2 GLN A 562 7.933 -15.928 -1.933 1.00 0.00 N ATOM 0 H GLN A 562 6.938 -10.912 1.126 1.00 0.00 H new ATOM 0 HA GLN A 562 9.146 -11.141 -0.641 1.00 0.00 H new ATOM 0 HB2 GLN A 562 7.982 -13.042 0.454 1.00 0.00 H new ATOM 0 HB3 GLN A 562 6.531 -12.691 -0.466 1.00 0.00 H new ATOM 0 HG2 GLN A 562 8.125 -12.966 -2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 562 9.151 -13.825 -1.423 1.00 0.00 H new ATOM 0 HE21 GLN A 562 8.953 -15.937 -1.909 1.00 0.00 H new ATOM 0 HE22 GLN A 562 7.418 -16.800 -2.056 1.00 0.00 H new ATOM 474 N PHE A 563 6.253 -10.249 -1.951 1.00 0.00 N ATOM 475 CA PHE A 563 5.630 -9.680 -3.141 1.00 0.00 C ATOM 476 C PHE A 563 6.300 -8.366 -3.530 1.00 0.00 C ATOM 477 O PHE A 563 6.497 -8.082 -4.712 1.00 0.00 O ATOM 478 CB PHE A 563 4.137 -9.453 -2.901 1.00 0.00 C ATOM 479 CG PHE A 563 3.448 -8.749 -4.035 1.00 0.00 C ATOM 480 CD1 PHE A 563 3.338 -9.351 -5.277 1.00 0.00 C ATOM 481 CD2 PHE A 563 2.911 -7.484 -3.859 1.00 0.00 C ATOM 482 CE1 PHE A 563 2.705 -8.707 -6.323 1.00 0.00 C ATOM 483 CE2 PHE A 563 2.276 -6.834 -4.900 1.00 0.00 C ATOM 484 CZ PHE A 563 2.173 -7.446 -6.134 1.00 0.00 C ATOM 0 H PHE A 563 5.626 -10.346 -1.152 1.00 0.00 H new ATOM 0 HA PHE A 563 5.756 -10.388 -3.960 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.654 -10.416 -2.734 1.00 0.00 H new ATOM 0 HB3 PHE A 563 4.008 -8.869 -1.990 1.00 0.00 H new ATOM 0 HD1 PHE A 563 3.752 -10.337 -5.430 1.00 0.00 H new ATOM 0 HD2 PHE A 563 2.990 -7.000 -2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 563 2.626 -9.189 -7.287 1.00 0.00 H new ATOM 0 HE2 PHE A 563 1.861 -5.849 -4.749 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.678 -6.940 -6.949 1.00 0.00 H new ATOM 494 N LEU A 564 6.649 -7.568 -2.526 1.00 0.00 N ATOM 495 CA LEU A 564 7.298 -6.282 -2.763 1.00 0.00 C ATOM 496 C LEU A 564 8.815 -6.433 -2.780 1.00 0.00 C ATOM 497 O LEU A 564 9.546 -5.480 -2.515 1.00 0.00 O ATOM 498 CB LEU A 564 6.887 -5.276 -1.685 1.00 0.00 C ATOM 499 CG LEU A 564 5.435 -4.799 -1.732 1.00 0.00 C ATOM 500 CD1 LEU A 564 5.032 -4.182 -0.402 1.00 0.00 C ATOM 501 CD2 LEU A 564 5.236 -3.805 -2.866 1.00 0.00 C ATOM 0 H LEU A 564 6.494 -7.788 -1.542 1.00 0.00 H new ATOM 0 HA LEU A 564 6.977 -5.914 -3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 564 7.070 -5.725 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 564 7.538 -4.405 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 564 4.795 -5.662 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 564 3.996 -3.848 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 564 5.134 -4.924 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 564 5.677 -3.330 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 564 4.197 -3.477 -2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 564 5.886 -2.944 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 564 5.482 -4.281 -3.815 1.00 0.00 H new ATOM 513 N GLU A 565 9.282 -7.637 -3.096 1.00 0.00 N ATOM 514 CA GLU A 565 10.713 -7.911 -3.151 1.00 0.00 C ATOM 515 C GLU A 565 11.369 -7.158 -4.304 1.00 0.00 C ATOM 516 O GLU A 565 10.961 -7.290 -5.457 1.00 0.00 O ATOM 517 CB GLU A 565 10.962 -9.414 -3.301 1.00 0.00 C ATOM 518 CG GLU A 565 12.412 -9.765 -3.588 1.00 0.00 C ATOM 519 CD GLU A 565 12.766 -11.176 -3.161 1.00 0.00 C ATOM 520 OE1 GLU A 565 12.375 -12.125 -3.872 1.00 0.00 O ATOM 521 OE2 GLU A 565 13.433 -11.331 -2.117 1.00 0.00 O ATOM 0 H GLU A 565 8.690 -8.438 -3.318 1.00 0.00 H new ATOM 0 HA GLU A 565 11.158 -7.567 -2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 565 10.649 -9.919 -2.387 1.00 0.00 H new ATOM 0 HB3 GLU A 565 10.337 -9.799 -4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 565 12.605 -9.653 -4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 565 13.062 -9.059 -3.071 1.00 0.00 H new ATOM 528 N GLY A 566 12.387 -6.366 -3.983 1.00 0.00 N ATOM 529 CA GLY A 566 13.082 -5.602 -5.002 1.00 0.00 C ATOM 530 C GLY A 566 13.013 -4.108 -4.755 1.00 0.00 C ATOM 531 O GLY A 566 13.927 -3.368 -5.121 1.00 0.00 O ATOM 0 H GLY A 566 12.743 -6.240 -3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 566 14.126 -5.914 -5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 566 12.650 -5.826 -5.977 1.00 0.00 H new ATOM 535 N ILE A 567 11.926 -3.662 -4.136 1.00 0.00 N ATOM 536 CA ILE A 567 11.740 -2.246 -3.841 1.00 0.00 C ATOM 537 C ILE A 567 12.290 -1.895 -2.462 1.00 0.00 C ATOM 538 O ILE A 567 11.751 -2.297 -1.431 1.00 0.00 O ATOM 539 CB ILE A 567 10.254 -1.847 -3.907 1.00 0.00 C ATOM 540 CG1 ILE A 567 9.707 -2.065 -5.318 1.00 0.00 C ATOM 541 CG2 ILE A 567 10.076 -0.397 -3.482 1.00 0.00 C ATOM 542 CD1 ILE A 567 8.212 -1.861 -5.425 1.00 0.00 C ATOM 0 H ILE A 567 11.160 -4.261 -3.828 1.00 0.00 H new ATOM 0 HA ILE A 567 12.290 -1.690 -4.601 1.00 0.00 H new ATOM 0 HB ILE A 567 9.692 -2.479 -3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 567 10.209 -1.381 -6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 567 9.951 -3.077 -5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 567 9.021 -0.130 -3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 567 10.432 -0.271 -2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 567 10.647 0.250 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 567 7.894 -2.032 -6.453 1.00 0.00 H new ATOM 0 HD12 ILE A 567 7.701 -2.563 -4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 567 7.962 -0.841 -5.133 1.00 0.00 H new ATOM 554 N PRO A 568 13.387 -1.125 -2.442 1.00 0.00 N ATOM 555 CA PRO A 568 14.033 -0.699 -1.196 1.00 0.00 C ATOM 556 C PRO A 568 13.026 -0.219 -0.156 1.00 0.00 C ATOM 557 O PRO A 568 12.484 0.881 -0.264 1.00 0.00 O ATOM 558 CB PRO A 568 14.935 0.455 -1.640 1.00 0.00 C ATOM 559 CG PRO A 568 15.257 0.158 -3.064 1.00 0.00 C ATOM 560 CD PRO A 568 14.082 -0.608 -3.633 1.00 0.00 C ATOM 0 HA PRO A 568 14.570 -1.517 -0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 568 14.428 1.415 -1.541 1.00 0.00 H new ATOM 0 HB3 PRO A 568 15.838 0.508 -1.032 1.00 0.00 H new ATOM 0 HG2 PRO A 568 15.423 1.079 -3.622 1.00 0.00 H new ATOM 0 HG3 PRO A 568 16.172 -0.429 -3.138 1.00 0.00 H new ATOM 0 HD2 PRO A 568 13.433 0.037 -4.226 1.00 0.00 H new ATOM 0 HD3 PRO A 568 14.410 -1.416 -4.286 1.00 0.00 H new ATOM 568 N VAL A 569 12.780 -1.050 0.851 1.00 0.00 N ATOM 569 CA VAL A 569 11.839 -0.709 1.912 1.00 0.00 C ATOM 570 C VAL A 569 12.021 -1.619 3.121 1.00 0.00 C ATOM 571 O VAL A 569 12.365 -2.792 2.982 1.00 0.00 O ATOM 572 CB VAL A 569 10.382 -0.807 1.422 1.00 0.00 C ATOM 573 CG1 VAL A 569 9.986 -2.262 1.213 1.00 0.00 C ATOM 574 CG2 VAL A 569 9.443 -0.127 2.407 1.00 0.00 C ATOM 0 H VAL A 569 13.219 -1.965 0.955 1.00 0.00 H new ATOM 0 HA VAL A 569 12.048 0.321 2.202 1.00 0.00 H new ATOM 0 HB VAL A 569 10.303 -0.292 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 569 8.954 -2.312 0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.641 -2.714 0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 569 10.080 -2.803 2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 569 8.418 -0.205 2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 569 9.523 -0.612 3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 569 9.715 0.924 2.502 1.00 0.00 H new ATOM 584 N ASP A 570 11.786 -1.070 4.308 1.00 0.00 N ATOM 585 CA ASP A 570 11.922 -1.833 5.543 1.00 0.00 C ATOM 586 C ASP A 570 10.575 -2.402 5.981 1.00 0.00 C ATOM 587 O ASP A 570 9.525 -1.975 5.502 1.00 0.00 O ATOM 588 CB ASP A 570 12.501 -0.952 6.650 1.00 0.00 C ATOM 589 CG ASP A 570 13.304 -1.746 7.662 1.00 0.00 C ATOM 590 OD1 ASP A 570 14.466 -2.090 7.359 1.00 0.00 O ATOM 591 OD2 ASP A 570 12.771 -2.023 8.756 1.00 0.00 O ATOM 0 H ASP A 570 11.501 -0.100 4.441 1.00 0.00 H new ATOM 0 HA ASP A 570 12.604 -2.663 5.356 1.00 0.00 H new ATOM 0 HB2 ASP A 570 13.137 -0.187 6.206 1.00 0.00 H new ATOM 0 HB3 ASP A 570 11.689 -0.434 7.161 1.00 0.00 H new ATOM 596 N GLU A 571 10.615 -3.367 6.894 1.00 0.00 N ATOM 597 CA GLU A 571 9.399 -3.995 7.395 1.00 0.00 C ATOM 598 C GLU A 571 8.460 -2.956 8.001 1.00 0.00 C ATOM 599 O GLU A 571 7.300 -2.848 7.606 1.00 0.00 O ATOM 600 CB GLU A 571 9.739 -5.060 8.439 1.00 0.00 C ATOM 601 CG GLU A 571 10.454 -6.271 7.862 1.00 0.00 C ATOM 602 CD GLU A 571 10.551 -7.417 8.852 1.00 0.00 C ATOM 603 OE1 GLU A 571 11.548 -7.467 9.602 1.00 0.00 O ATOM 604 OE2 GLU A 571 9.632 -8.261 8.875 1.00 0.00 O ATOM 0 H GLU A 571 11.476 -3.731 7.302 1.00 0.00 H new ATOM 0 HA GLU A 571 8.894 -4.470 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 571 10.365 -4.613 9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 571 8.820 -5.388 8.924 1.00 0.00 H new ATOM 0 HG2 GLU A 571 9.926 -6.609 6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 571 11.457 -5.981 7.548 1.00 0.00 H new ATOM 611 N ASN A 572 8.970 -2.195 8.962 1.00 0.00 N ATOM 612 CA ASN A 572 8.178 -1.165 9.624 1.00 0.00 C ATOM 613 C ASN A 572 7.437 -0.308 8.603 1.00 0.00 C ATOM 614 O ASN A 572 6.260 0.005 8.778 1.00 0.00 O ATOM 615 CB ASN A 572 9.075 -0.280 10.492 1.00 0.00 C ATOM 616 CG ASN A 572 9.728 0.836 9.699 1.00 0.00 C ATOM 617 OD1 ASN A 572 10.432 0.587 8.720 1.00 0.00 O ATOM 618 ND2 ASN A 572 9.495 2.074 10.118 1.00 0.00 N ATOM 0 H ASN A 572 9.929 -2.272 9.301 1.00 0.00 H new ATOM 0 HA ASN A 572 7.443 -1.660 10.259 1.00 0.00 H new ATOM 0 HB2 ASN A 572 8.484 0.150 11.300 1.00 0.00 H new ATOM 0 HB3 ASN A 572 9.848 -0.894 10.955 1.00 0.00 H new ATOM 0 HD21 ASN A 572 9.906 2.866 9.623 1.00 0.00 H new ATOM 0 HD22 ASN A 572 8.905 2.233 10.935 1.00 0.00 H new ATOM 625 N ALA A 573 8.134 0.066 7.534 1.00 0.00 N ATOM 626 CA ALA A 573 7.541 0.883 6.483 1.00 0.00 C ATOM 627 C ALA A 573 6.141 0.391 6.129 1.00 0.00 C ATOM 628 O ALA A 573 5.254 1.185 5.816 1.00 0.00 O ATOM 629 CB ALA A 573 8.431 0.881 5.248 1.00 0.00 C ATOM 0 H ALA A 573 9.110 -0.184 7.374 1.00 0.00 H new ATOM 0 HA ALA A 573 7.456 1.904 6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 573 7.976 1.495 4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.410 1.286 5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.545 -0.140 4.883 1.00 0.00 H new ATOM 635 N VAL A 574 5.950 -0.923 6.178 1.00 0.00 N ATOM 636 CA VAL A 574 4.658 -1.520 5.864 1.00 0.00 C ATOM 637 C VAL A 574 3.798 -1.661 7.114 1.00 0.00 C ATOM 638 O VAL A 574 4.291 -2.028 8.182 1.00 0.00 O ATOM 639 CB VAL A 574 4.824 -2.905 5.209 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.467 -3.552 4.976 1.00 0.00 C ATOM 641 CG2 VAL A 574 5.600 -2.788 3.906 1.00 0.00 C ATOM 0 H VAL A 574 6.674 -1.595 6.432 1.00 0.00 H new ATOM 0 HA VAL A 574 4.163 -0.850 5.161 1.00 0.00 H new ATOM 0 HB VAL A 574 5.391 -3.543 5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 574 3.604 -4.529 4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 574 2.952 -3.672 5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 574 2.870 -2.920 4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 574 5.708 -3.775 3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 574 5.062 -2.134 3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 574 6.587 -2.371 4.106 1.00 0.00 H new ATOM 651 N HIS A 575 2.509 -1.368 6.976 1.00 0.00 N ATOM 652 CA HIS A 575 1.578 -1.463 8.095 1.00 0.00 C ATOM 653 C HIS A 575 0.360 -2.302 7.719 1.00 0.00 C ATOM 654 O HIS A 575 -0.452 -1.896 6.887 1.00 0.00 O ATOM 655 CB HIS A 575 1.136 -0.069 8.538 1.00 0.00 C ATOM 656 CG HIS A 575 2.182 0.674 9.310 1.00 0.00 C ATOM 657 ND1 HIS A 575 1.922 1.321 10.500 1.00 0.00 N ATOM 658 CD2 HIS A 575 3.498 0.870 9.057 1.00 0.00 C ATOM 659 CE1 HIS A 575 3.032 1.885 10.943 1.00 0.00 C ATOM 660 NE2 HIS A 575 4.003 1.625 10.086 1.00 0.00 N ATOM 0 H HIS A 575 2.085 -1.063 6.100 1.00 0.00 H new ATOM 0 HA HIS A 575 2.092 -1.952 8.923 1.00 0.00 H new ATOM 0 HB2 HIS A 575 0.864 0.513 7.658 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.239 -0.159 9.151 1.00 0.00 H new ATOM 0 HD2 HIS A 575 4.048 0.501 8.204 1.00 0.00 H new ATOM 0 HE1 HIS A 575 3.129 2.461 11.852 1.00 0.00 H new ATOM 0 HE2 HIS A 575 4.971 1.935 10.175 1.00 0.00 H new ATOM 668 N VAL A 576 0.238 -3.472 8.337 1.00 0.00 N ATOM 669 CA VAL A 576 -0.880 -4.367 8.068 1.00 0.00 C ATOM 670 C VAL A 576 -2.135 -3.915 8.808 1.00 0.00 C ATOM 671 O VAL A 576 -2.075 -3.525 9.974 1.00 0.00 O ATOM 672 CB VAL A 576 -0.551 -5.816 8.474 1.00 0.00 C ATOM 673 CG1 VAL A 576 -1.762 -6.715 8.273 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.644 -6.331 7.687 1.00 0.00 C ATOM 0 H VAL A 576 0.901 -3.822 9.028 1.00 0.00 H new ATOM 0 HA VAL A 576 -1.062 -4.332 6.994 1.00 0.00 H new ATOM 0 HB VAL A 576 -0.292 -5.829 9.533 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -1.511 -7.735 8.565 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.588 -6.355 8.886 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -2.056 -6.700 7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 576 0.863 -7.356 7.987 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.416 -6.305 6.621 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.511 -5.702 7.888 1.00 0.00 H new ATOM 684 N LEU A 577 -3.271 -3.972 8.122 1.00 0.00 N ATOM 685 CA LEU A 577 -4.543 -3.569 8.713 1.00 0.00 C ATOM 686 C LEU A 577 -5.172 -4.723 9.489 1.00 0.00 C ATOM 687 O LEU A 577 -4.744 -5.872 9.370 1.00 0.00 O ATOM 688 CB LEU A 577 -5.503 -3.086 7.626 1.00 0.00 C ATOM 689 CG LEU A 577 -5.291 -1.656 7.130 1.00 0.00 C ATOM 690 CD1 LEU A 577 -6.321 -1.300 6.069 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.356 -0.673 8.289 1.00 0.00 C ATOM 0 H LEU A 577 -3.338 -4.293 7.156 1.00 0.00 H new ATOM 0 HA LEU A 577 -4.351 -2.751 9.407 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.423 -3.760 6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.521 -3.170 8.005 1.00 0.00 H new ATOM 0 HG LEU A 577 -4.300 -1.592 6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.154 -0.278 5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -6.226 -1.984 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -7.322 -1.382 6.492 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -5.203 0.340 7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -6.333 -0.739 8.768 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.579 -0.914 9.014 1.00 0.00 H new ATOM 703 N VAL A 578 -6.193 -4.410 10.281 1.00 0.00 N ATOM 704 CA VAL A 578 -6.883 -5.420 11.073 1.00 0.00 C ATOM 705 C VAL A 578 -8.353 -5.062 11.260 1.00 0.00 C ATOM 706 O VAL A 578 -8.740 -3.900 11.133 1.00 0.00 O ATOM 707 CB VAL A 578 -6.229 -5.594 12.456 1.00 0.00 C ATOM 708 CG1 VAL A 578 -4.859 -6.242 12.322 1.00 0.00 C ATOM 709 CG2 VAL A 578 -6.126 -4.253 13.168 1.00 0.00 C ATOM 0 H VAL A 578 -6.560 -3.465 10.391 1.00 0.00 H new ATOM 0 HA VAL A 578 -6.807 -6.358 10.523 1.00 0.00 H new ATOM 0 HB VAL A 578 -6.858 -6.252 13.056 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -4.413 -6.357 13.310 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -4.964 -7.221 11.855 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -4.218 -5.613 11.705 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -5.662 -4.394 14.144 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -5.519 -3.571 12.573 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -7.123 -3.833 13.298 1.00 0.00 H new ATOM 719 N ASP A 579 -9.168 -6.067 11.561 1.00 0.00 N ATOM 720 CA ASP A 579 -10.596 -5.858 11.768 1.00 0.00 C ATOM 721 C ASP A 579 -10.998 -6.216 13.196 1.00 0.00 C ATOM 722 O ASP A 579 -10.152 -6.555 14.021 1.00 0.00 O ATOM 723 CB ASP A 579 -11.404 -6.692 10.773 1.00 0.00 C ATOM 724 CG ASP A 579 -11.705 -8.084 11.294 1.00 0.00 C ATOM 725 OD1 ASP A 579 -10.784 -8.721 11.847 1.00 0.00 O ATOM 726 OD2 ASP A 579 -12.860 -8.534 11.149 1.00 0.00 O ATOM 0 H ASP A 579 -8.864 -7.035 11.667 1.00 0.00 H new ATOM 0 HA ASP A 579 -10.811 -4.802 11.604 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -12.340 -6.180 10.550 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -10.852 -6.769 9.836 1.00 0.00 H new ATOM 731 N ASN A 580 -12.295 -6.138 13.478 1.00 0.00 N ATOM 732 CA ASN A 580 -12.808 -6.453 14.806 1.00 0.00 C ATOM 733 C ASN A 580 -12.146 -7.710 15.361 1.00 0.00 C ATOM 734 O ASN A 580 -11.698 -7.734 16.506 1.00 0.00 O ATOM 735 CB ASN A 580 -14.326 -6.640 14.758 1.00 0.00 C ATOM 736 CG ASN A 580 -15.026 -5.502 14.041 1.00 0.00 C ATOM 737 OD1 ASN A 580 -14.402 -4.504 13.679 1.00 0.00 O ATOM 738 ND2 ASN A 580 -16.329 -5.647 13.833 1.00 0.00 N ATOM 0 H ASN A 580 -13.009 -5.860 12.805 1.00 0.00 H new ATOM 0 HA ASN A 580 -12.572 -5.619 15.467 1.00 0.00 H new ATOM 0 HB2 ASN A 580 -14.558 -7.579 14.256 1.00 0.00 H new ATOM 0 HB3 ASN A 580 -14.712 -6.718 15.774 1.00 0.00 H new ATOM 0 HD21 ASN A 580 -16.854 -4.914 13.356 1.00 0.00 H new ATOM 0 HD22 ASN A 580 -16.805 -6.491 14.150 1.00 0.00 H new ATOM 745 N ASN A 581 -12.089 -8.753 14.540 1.00 0.00 N ATOM 746 CA ASN A 581 -11.482 -10.016 14.948 1.00 0.00 C ATOM 747 C ASN A 581 -9.959 -9.916 14.934 1.00 0.00 C ATOM 748 O ASN A 581 -9.274 -10.637 15.658 1.00 0.00 O ATOM 749 CB ASN A 581 -11.939 -11.148 14.026 1.00 0.00 C ATOM 750 CG ASN A 581 -11.887 -12.503 14.705 1.00 0.00 C ATOM 751 OD1 ASN A 581 -11.570 -12.604 15.889 1.00 0.00 O ATOM 752 ND2 ASN A 581 -12.200 -13.552 13.953 1.00 0.00 N ATOM 0 H ASN A 581 -12.455 -8.749 13.588 1.00 0.00 H new ATOM 0 HA ASN A 581 -11.805 -10.234 15.966 1.00 0.00 H new ATOM 0 HB2 ASN A 581 -12.957 -10.951 13.691 1.00 0.00 H new ATOM 0 HB3 ASN A 581 -11.309 -11.166 13.137 1.00 0.00 H new ATOM 0 HD21 ASN A 581 -12.183 -14.490 14.354 1.00 0.00 H new ATOM 0 HD22 ASN A 581 -12.457 -13.420 12.975 1.00 0.00 H new ATOM 759 N GLY A 582 -9.438 -9.016 14.105 1.00 0.00 N ATOM 760 CA GLY A 582 -8.001 -8.839 14.013 1.00 0.00 C ATOM 761 C GLY A 582 -7.402 -9.565 12.825 1.00 0.00 C ATOM 762 O GLY A 582 -6.408 -9.117 12.253 1.00 0.00 O ATOM 0 H GLY A 582 -9.985 -8.407 13.496 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -7.773 -7.776 13.938 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -7.534 -9.201 14.929 1.00 0.00 H new ATOM 766 N GLN A 583 -8.006 -10.690 12.455 1.00 0.00 N ATOM 767 CA GLN A 583 -7.523 -11.481 11.329 1.00 0.00 C ATOM 768 C GLN A 583 -7.085 -10.579 10.180 1.00 0.00 C ATOM 769 O GLN A 583 -6.000 -10.749 9.625 1.00 0.00 O ATOM 770 CB GLN A 583 -8.612 -12.444 10.851 1.00 0.00 C ATOM 771 CG GLN A 583 -8.962 -13.519 11.867 1.00 0.00 C ATOM 772 CD GLN A 583 -7.956 -14.653 11.887 1.00 0.00 C ATOM 773 OE1 GLN A 583 -7.031 -14.663 12.698 1.00 0.00 O ATOM 774 NE2 GLN A 583 -8.133 -15.616 10.990 1.00 0.00 N ATOM 0 H GLN A 583 -8.830 -11.074 12.918 1.00 0.00 H new ATOM 0 HA GLN A 583 -6.660 -12.057 11.664 1.00 0.00 H new ATOM 0 HB2 GLN A 583 -9.510 -11.874 10.613 1.00 0.00 H new ATOM 0 HB3 GLN A 583 -8.284 -12.921 9.928 1.00 0.00 H new ATOM 0 HG2 GLN A 583 -9.019 -13.071 12.859 1.00 0.00 H new ATOM 0 HG3 GLN A 583 -9.950 -13.919 11.641 1.00 0.00 H new ATOM 0 HE21 GLN A 583 -8.914 -15.567 10.336 1.00 0.00 H new ATOM 0 HE22 GLN A 583 -7.488 -16.405 10.955 1.00 0.00 H new ATOM 783 N GLY A 584 -7.935 -9.621 9.827 1.00 0.00 N ATOM 784 CA GLY A 584 -7.618 -8.708 8.745 1.00 0.00 C ATOM 785 C GLY A 584 -8.538 -8.878 7.553 1.00 0.00 C ATOM 786 O GLY A 584 -8.812 -10.001 7.127 1.00 0.00 O ATOM 0 H GLY A 584 -8.839 -9.460 10.272 1.00 0.00 H new ATOM 0 HA2 GLY A 584 -7.685 -7.682 9.108 1.00 0.00 H new ATOM 0 HA3 GLY A 584 -6.587 -8.868 8.430 1.00 0.00 H new ATOM 790 N LEU A 585 -9.018 -7.764 7.013 1.00 0.00 N ATOM 791 CA LEU A 585 -9.914 -7.795 5.863 1.00 0.00 C ATOM 792 C LEU A 585 -9.137 -8.033 4.572 1.00 0.00 C ATOM 793 O LEU A 585 -9.704 -8.447 3.562 1.00 0.00 O ATOM 794 CB LEU A 585 -10.697 -6.483 5.766 1.00 0.00 C ATOM 795 CG LEU A 585 -11.713 -6.223 6.878 1.00 0.00 C ATOM 796 CD1 LEU A 585 -12.166 -4.772 6.858 1.00 0.00 C ATOM 797 CD2 LEU A 585 -12.904 -7.158 6.741 1.00 0.00 C ATOM 0 H LEU A 585 -8.802 -6.827 7.353 1.00 0.00 H new ATOM 0 HA LEU A 585 -10.613 -8.620 6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 585 -9.984 -5.658 5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 585 -11.222 -6.466 4.811 1.00 0.00 H new ATOM 0 HG LEU A 585 -11.232 -6.418 7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 585 -12.889 -4.606 7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 585 -11.305 -4.120 7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 585 -12.629 -4.549 5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 585 -13.617 -6.959 7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 585 -13.386 -6.995 5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 585 -12.565 -8.192 6.807 1.00 0.00 H new ATOM 809 N GLY A 586 -7.835 -7.771 4.615 1.00 0.00 N ATOM 810 CA GLY A 586 -7.000 -7.966 3.443 1.00 0.00 C ATOM 811 C GLY A 586 -6.508 -6.657 2.859 1.00 0.00 C ATOM 812 O GLY A 586 -6.798 -6.337 1.706 1.00 0.00 O ATOM 0 H GLY A 586 -7.343 -7.427 5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 586 -6.144 -8.586 3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -7.564 -8.510 2.685 1.00 0.00 H new ATOM 816 N GLN A 587 -5.762 -5.898 3.656 1.00 0.00 N ATOM 817 CA GLN A 587 -5.231 -4.615 3.211 1.00 0.00 C ATOM 818 C GLN A 587 -3.954 -4.263 3.965 1.00 0.00 C ATOM 819 O GLN A 587 -3.771 -4.663 5.116 1.00 0.00 O ATOM 820 CB GLN A 587 -6.273 -3.513 3.406 1.00 0.00 C ATOM 821 CG GLN A 587 -7.477 -3.643 2.487 1.00 0.00 C ATOM 822 CD GLN A 587 -8.547 -2.611 2.777 1.00 0.00 C ATOM 823 OE1 GLN A 587 -8.511 -1.933 3.805 1.00 0.00 O ATOM 824 NE2 GLN A 587 -9.509 -2.483 1.870 1.00 0.00 N ATOM 0 H GLN A 587 -5.512 -6.149 4.612 1.00 0.00 H new ATOM 0 HA GLN A 587 -4.993 -4.697 2.150 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -6.614 -3.526 4.441 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -5.801 -2.545 3.238 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -7.151 -3.542 1.452 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -7.903 -4.641 2.591 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -9.501 -3.065 1.032 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -10.256 -1.803 2.011 1.00 0.00 H new ATOM 833 N ALA A 588 -3.073 -3.513 3.312 1.00 0.00 N ATOM 834 CA ALA A 588 -1.813 -3.107 3.922 1.00 0.00 C ATOM 835 C ALA A 588 -1.260 -1.852 3.256 1.00 0.00 C ATOM 836 O ALA A 588 -1.391 -1.670 2.044 1.00 0.00 O ATOM 837 CB ALA A 588 -0.799 -4.238 3.845 1.00 0.00 C ATOM 0 H ALA A 588 -3.209 -3.174 2.360 1.00 0.00 H new ATOM 0 HA ALA A 588 -2.004 -2.877 4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 588 0.137 -3.920 4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.185 -5.109 4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.621 -4.497 2.801 1.00 0.00 H new ATOM 843 N LEU A 589 -0.642 -0.988 4.053 1.00 0.00 N ATOM 844 CA LEU A 589 -0.069 0.252 3.540 1.00 0.00 C ATOM 845 C LEU A 589 1.453 0.169 3.490 1.00 0.00 C ATOM 846 O LEU A 589 2.062 -0.673 4.152 1.00 0.00 O ATOM 847 CB LEU A 589 -0.498 1.434 4.410 1.00 0.00 C ATOM 848 CG LEU A 589 -1.970 1.836 4.318 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.365 2.693 5.511 1.00 0.00 C ATOM 850 CD2 LEU A 589 -2.241 2.576 3.016 1.00 0.00 C ATOM 0 H LEU A 589 -0.525 -1.123 5.057 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.440 0.402 2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.272 1.195 5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 589 0.111 2.297 4.141 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.575 0.930 4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.416 2.970 5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.209 2.130 6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -1.753 3.595 5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -3.294 2.854 2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.626 3.475 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -1.998 1.930 2.173 1.00 0.00 H new ATOM 862 N VAL A 590 2.064 1.048 2.702 1.00 0.00 N ATOM 863 CA VAL A 590 3.516 1.077 2.568 1.00 0.00 C ATOM 864 C VAL A 590 4.030 2.508 2.464 1.00 0.00 C ATOM 865 O VAL A 590 3.592 3.274 1.607 1.00 0.00 O ATOM 866 CB VAL A 590 3.980 0.284 1.333 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.495 0.136 1.332 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.303 -1.077 1.286 1.00 0.00 C ATOM 0 H VAL A 590 1.576 1.750 2.146 1.00 0.00 H new ATOM 0 HA VAL A 590 3.927 0.612 3.464 1.00 0.00 H new ATOM 0 HB VAL A 590 3.692 0.837 0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.805 -0.427 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 590 5.957 1.123 1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.809 -0.394 2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.644 -1.623 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.557 -1.641 2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 590 2.222 -0.944 1.235 1.00 0.00 H new ATOM 878 N GLN A 591 4.962 2.862 3.344 1.00 0.00 N ATOM 879 CA GLN A 591 5.536 4.202 3.351 1.00 0.00 C ATOM 880 C GLN A 591 6.989 4.174 2.891 1.00 0.00 C ATOM 881 O GLN A 591 7.865 3.670 3.595 1.00 0.00 O ATOM 882 CB GLN A 591 5.444 4.812 4.751 1.00 0.00 C ATOM 883 CG GLN A 591 5.964 6.238 4.829 1.00 0.00 C ATOM 884 CD GLN A 591 6.543 6.574 6.189 1.00 0.00 C ATOM 885 OE1 GLN A 591 7.754 6.493 6.398 1.00 0.00 O ATOM 886 NE2 GLN A 591 5.679 6.956 7.122 1.00 0.00 N ATOM 0 H GLN A 591 5.335 2.239 4.061 1.00 0.00 H new ATOM 0 HA GLN A 591 4.965 4.818 2.656 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.404 4.795 5.078 1.00 0.00 H new ATOM 0 HB3 GLN A 591 6.007 4.190 5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 591 6.729 6.384 4.066 1.00 0.00 H new ATOM 0 HG3 GLN A 591 5.152 6.930 4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 591 4.684 7.009 6.905 1.00 0.00 H new ATOM 0 HE22 GLN A 591 6.010 7.197 8.056 1.00 0.00 H new ATOM 895 N PHE A 592 7.240 4.717 1.704 1.00 0.00 N ATOM 896 CA PHE A 592 8.588 4.753 1.149 1.00 0.00 C ATOM 897 C PHE A 592 9.274 6.077 1.473 1.00 0.00 C ATOM 898 O PHE A 592 8.625 7.048 1.860 1.00 0.00 O ATOM 899 CB PHE A 592 8.544 4.545 -0.367 1.00 0.00 C ATOM 900 CG PHE A 592 7.774 3.325 -0.783 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.324 2.061 -0.640 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.501 3.440 -1.316 1.00 0.00 C ATOM 903 CE1 PHE A 592 7.619 0.935 -1.021 1.00 0.00 C ATOM 904 CE2 PHE A 592 5.791 2.318 -1.699 1.00 0.00 C ATOM 905 CZ PHE A 592 6.350 1.064 -1.552 1.00 0.00 C ATOM 0 H PHE A 592 6.527 5.138 1.108 1.00 0.00 H new ATOM 0 HA PHE A 592 9.163 3.946 1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 592 8.097 5.423 -0.833 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.564 4.468 -0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.316 1.955 -0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 592 6.058 4.418 -1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 592 8.059 -0.044 -0.904 1.00 0.00 H new ATOM 0 HE2 PHE A 592 4.799 2.422 -2.113 1.00 0.00 H new ATOM 0 HZ PHE A 592 5.797 0.186 -1.851 1.00 0.00 H new ATOM 915 N LYS A 593 10.593 6.107 1.311 1.00 0.00 N ATOM 916 CA LYS A 593 11.370 7.310 1.585 1.00 0.00 C ATOM 917 C LYS A 593 11.285 8.289 0.419 1.00 0.00 C ATOM 918 O LYS A 593 10.984 9.467 0.606 1.00 0.00 O ATOM 919 CB LYS A 593 12.832 6.947 1.855 1.00 0.00 C ATOM 920 CG LYS A 593 13.005 5.850 2.891 1.00 0.00 C ATOM 921 CD LYS A 593 12.591 6.321 4.275 1.00 0.00 C ATOM 922 CE LYS A 593 11.118 6.050 4.538 1.00 0.00 C ATOM 923 NZ LYS A 593 10.901 4.713 5.157 1.00 0.00 N ATOM 0 H LYS A 593 11.146 5.312 0.991 1.00 0.00 H new ATOM 0 HA LYS A 593 10.952 7.789 2.470 1.00 0.00 H new ATOM 0 HB2 LYS A 593 13.297 6.630 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 593 13.363 7.838 2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 593 12.409 4.983 2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 593 14.046 5.528 2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 593 13.195 5.816 5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 593 12.789 7.389 4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 593 10.718 6.823 5.194 1.00 0.00 H new ATOM 0 HE3 LYS A 593 10.565 6.110 3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 9.884 4.567 5.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 11.259 3.973 4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 11.408 4.664 6.064 1.00 0.00 H new ATOM 937 N ASN A 594 11.552 7.793 -0.786 1.00 0.00 N ATOM 938 CA ASN A 594 11.504 8.625 -1.982 1.00 0.00 C ATOM 939 C ASN A 594 10.660 7.968 -3.069 1.00 0.00 C ATOM 940 O ASN A 594 10.462 6.753 -3.064 1.00 0.00 O ATOM 941 CB ASN A 594 12.919 8.883 -2.506 1.00 0.00 C ATOM 942 CG ASN A 594 13.853 9.387 -1.423 1.00 0.00 C ATOM 943 OD1 ASN A 594 13.959 10.592 -1.191 1.00 0.00 O ATOM 944 ND2 ASN A 594 14.536 8.467 -0.754 1.00 0.00 N ATOM 0 H ASN A 594 11.804 6.820 -0.959 1.00 0.00 H new ATOM 0 HA ASN A 594 11.043 9.576 -1.714 1.00 0.00 H new ATOM 0 HB2 ASN A 594 13.321 7.962 -2.929 1.00 0.00 H new ATOM 0 HB3 ASN A 594 12.877 9.613 -3.314 1.00 0.00 H new ATOM 0 HD21 ASN A 594 15.180 8.747 -0.014 1.00 0.00 H new ATOM 0 HD22 ASN A 594 14.417 7.479 -0.979 1.00 0.00 H new ATOM 951 N GLU A 595 10.165 8.778 -3.999 1.00 0.00 N ATOM 952 CA GLU A 595 9.341 8.274 -5.092 1.00 0.00 C ATOM 953 C GLU A 595 10.076 7.186 -5.869 1.00 0.00 C ATOM 954 O GLU A 595 9.454 6.296 -6.450 1.00 0.00 O ATOM 955 CB GLU A 595 8.952 9.416 -6.035 1.00 0.00 C ATOM 956 CG GLU A 595 8.197 10.540 -5.349 1.00 0.00 C ATOM 957 CD GLU A 595 8.037 11.761 -6.235 1.00 0.00 C ATOM 958 OE1 GLU A 595 9.046 12.207 -6.819 1.00 0.00 O ATOM 959 OE2 GLU A 595 6.901 12.269 -6.344 1.00 0.00 O ATOM 0 H GLU A 595 10.320 9.786 -4.018 1.00 0.00 H new ATOM 0 HA GLU A 595 8.437 7.842 -4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 595 9.854 9.822 -6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 595 8.338 9.016 -6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 595 7.212 10.181 -5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 595 8.724 10.823 -4.438 1.00 0.00 H new ATOM 966 N ASP A 596 11.402 7.264 -5.875 1.00 0.00 N ATOM 967 CA ASP A 596 12.222 6.286 -6.580 1.00 0.00 C ATOM 968 C ASP A 596 11.791 4.865 -6.233 1.00 0.00 C ATOM 969 O ASP A 596 12.023 3.930 -7.001 1.00 0.00 O ATOM 970 CB ASP A 596 13.699 6.482 -6.233 1.00 0.00 C ATOM 971 CG ASP A 596 14.321 7.640 -6.989 1.00 0.00 C ATOM 972 OD1 ASP A 596 13.984 7.824 -8.177 1.00 0.00 O ATOM 973 OD2 ASP A 596 15.145 8.363 -6.391 1.00 0.00 O ATOM 0 H ASP A 596 11.932 7.994 -5.400 1.00 0.00 H new ATOM 0 HA ASP A 596 12.085 6.438 -7.651 1.00 0.00 H new ATOM 0 HB2 ASP A 596 13.798 6.656 -5.162 1.00 0.00 H new ATOM 0 HB3 ASP A 596 14.247 5.567 -6.459 1.00 0.00 H new ATOM 978 N ASP A 597 11.163 4.708 -5.073 1.00 0.00 N ATOM 979 CA ASP A 597 10.699 3.400 -4.624 1.00 0.00 C ATOM 980 C ASP A 597 9.227 3.198 -4.971 1.00 0.00 C ATOM 981 O ASP A 597 8.837 2.147 -5.478 1.00 0.00 O ATOM 982 CB ASP A 597 10.907 3.252 -3.117 1.00 0.00 C ATOM 983 CG ASP A 597 12.263 3.756 -2.667 1.00 0.00 C ATOM 984 OD1 ASP A 597 13.262 3.471 -3.359 1.00 0.00 O ATOM 985 OD2 ASP A 597 12.327 4.438 -1.621 1.00 0.00 O ATOM 0 H ASP A 597 10.963 5.471 -4.426 1.00 0.00 H new ATOM 0 HA ASP A 597 11.283 2.637 -5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 597 10.126 3.800 -2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 597 10.803 2.203 -2.840 1.00 0.00 H new ATOM 990 N ALA A 598 8.415 4.212 -4.691 1.00 0.00 N ATOM 991 CA ALA A 598 6.986 4.146 -4.973 1.00 0.00 C ATOM 992 C ALA A 598 6.730 3.899 -6.456 1.00 0.00 C ATOM 993 O ALA A 598 6.006 2.975 -6.825 1.00 0.00 O ATOM 994 CB ALA A 598 6.299 5.428 -4.523 1.00 0.00 C ATOM 0 H ALA A 598 8.722 5.089 -4.269 1.00 0.00 H new ATOM 0 HA ALA A 598 6.569 3.308 -4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.233 5.365 -4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 598 6.444 5.562 -3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 598 6.728 6.277 -5.056 1.00 0.00 H new ATOM 1000 N ARG A 599 7.327 4.732 -7.301 1.00 0.00 N ATOM 1001 CA ARG A 599 7.162 4.606 -8.744 1.00 0.00 C ATOM 1002 C ARG A 599 7.342 3.157 -9.187 1.00 0.00 C ATOM 1003 O ARG A 599 6.843 2.750 -10.236 1.00 0.00 O ATOM 1004 CB ARG A 599 8.164 5.501 -9.475 1.00 0.00 C ATOM 1005 CG ARG A 599 7.826 6.981 -9.400 1.00 0.00 C ATOM 1006 CD ARG A 599 8.422 7.749 -10.570 1.00 0.00 C ATOM 1007 NE ARG A 599 8.674 9.148 -10.236 1.00 0.00 N ATOM 1008 CZ ARG A 599 9.638 9.544 -9.412 1.00 0.00 C ATOM 1009 NH1 ARG A 599 10.437 8.653 -8.843 1.00 0.00 N ATOM 1010 NH2 ARG A 599 9.804 10.836 -9.157 1.00 0.00 N ATOM 0 H ARG A 599 7.930 5.502 -7.011 1.00 0.00 H new ATOM 0 HA ARG A 599 6.150 4.923 -8.997 1.00 0.00 H new ATOM 0 HB2 ARG A 599 9.156 5.342 -9.053 1.00 0.00 H new ATOM 0 HB3 ARG A 599 8.211 5.200 -10.522 1.00 0.00 H new ATOM 0 HG2 ARG A 599 6.743 7.108 -9.394 1.00 0.00 H new ATOM 0 HG3 ARG A 599 8.201 7.394 -8.464 1.00 0.00 H new ATOM 0 HD2 ARG A 599 9.355 7.276 -10.876 1.00 0.00 H new ATOM 0 HD3 ARG A 599 7.743 7.696 -11.421 1.00 0.00 H new ATOM 0 HE ARG A 599 8.078 9.860 -10.658 1.00 0.00 H new ATOM 0 HH11 ARG A 599 10.313 7.659 -9.037 1.00 0.00 H new ATOM 0 HH12 ARG A 599 11.176 8.961 -8.211 1.00 0.00 H new ATOM 0 HH21 ARG A 599 9.191 11.525 -9.594 1.00 0.00 H new ATOM 0 HH22 ARG A 599 10.544 11.140 -8.524 1.00 0.00 H new ATOM 1024 N LYS A 600 8.058 2.382 -8.379 1.00 0.00 N ATOM 1025 CA LYS A 600 8.304 0.978 -8.685 1.00 0.00 C ATOM 1026 C LYS A 600 7.197 0.095 -8.118 1.00 0.00 C ATOM 1027 O LYS A 600 6.846 -0.930 -8.703 1.00 0.00 O ATOM 1028 CB LYS A 600 9.658 0.541 -8.121 1.00 0.00 C ATOM 1029 CG LYS A 600 10.838 0.951 -8.986 1.00 0.00 C ATOM 1030 CD LYS A 600 12.127 0.996 -8.184 1.00 0.00 C ATOM 1031 CE LYS A 600 12.847 -0.345 -8.210 1.00 0.00 C ATOM 1032 NZ LYS A 600 13.805 -0.438 -9.346 1.00 0.00 N ATOM 0 H LYS A 600 8.478 2.703 -7.507 1.00 0.00 H new ATOM 0 HA LYS A 600 8.315 0.865 -9.769 1.00 0.00 H new ATOM 0 HB2 LYS A 600 9.782 0.967 -7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 600 9.662 -0.543 -8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 600 10.947 0.248 -9.812 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.646 1.931 -9.424 1.00 0.00 H new ATOM 0 HD2 LYS A 600 12.781 1.769 -8.587 1.00 0.00 H new ATOM 0 HD3 LYS A 600 11.906 1.272 -7.153 1.00 0.00 H new ATOM 0 HE2 LYS A 600 13.382 -0.488 -7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 600 12.115 -1.149 -8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 14.275 -1.366 -9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 13.291 -0.327 -10.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 14.519 0.313 -9.260 1.00 0.00 H new ATOM 1046 N SER A 601 6.650 0.500 -6.977 1.00 0.00 N ATOM 1047 CA SER A 601 5.583 -0.256 -6.329 1.00 0.00 C ATOM 1048 C SER A 601 4.296 -0.186 -7.146 1.00 0.00 C ATOM 1049 O SER A 601 3.534 -1.151 -7.205 1.00 0.00 O ATOM 1050 CB SER A 601 5.335 0.279 -4.918 1.00 0.00 C ATOM 1051 OG SER A 601 4.889 1.623 -4.952 1.00 0.00 O ATOM 0 H SER A 601 6.927 1.347 -6.481 1.00 0.00 H new ATOM 0 HA SER A 601 5.896 -1.298 -6.264 1.00 0.00 H new ATOM 0 HB2 SER A 601 4.592 -0.341 -4.416 1.00 0.00 H new ATOM 0 HB3 SER A 601 6.253 0.212 -4.334 1.00 0.00 H new ATOM 0 HG SER A 601 5.119 2.022 -5.817 1.00 0.00 H new ATOM 1057 N GLU A 602 4.062 0.962 -7.773 1.00 0.00 N ATOM 1058 CA GLU A 602 2.866 1.159 -8.584 1.00 0.00 C ATOM 1059 C GLU A 602 2.903 0.277 -9.829 1.00 0.00 C ATOM 1060 O GLU A 602 1.864 -0.039 -10.410 1.00 0.00 O ATOM 1061 CB GLU A 602 2.734 2.628 -8.990 1.00 0.00 C ATOM 1062 CG GLU A 602 3.937 3.160 -9.750 1.00 0.00 C ATOM 1063 CD GLU A 602 3.586 4.322 -10.659 1.00 0.00 C ATOM 1064 OE1 GLU A 602 2.765 5.169 -10.249 1.00 0.00 O ATOM 1065 OE2 GLU A 602 4.133 4.384 -11.780 1.00 0.00 O ATOM 0 H GLU A 602 4.684 1.769 -7.735 1.00 0.00 H new ATOM 0 HA GLU A 602 2.001 0.877 -7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 602 1.843 2.747 -9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 602 2.584 3.232 -8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 602 4.700 3.477 -9.039 1.00 0.00 H new ATOM 0 HG3 GLU A 602 4.371 2.356 -10.345 1.00 0.00 H new ATOM 1072 N ARG A 603 4.106 -0.117 -10.232 1.00 0.00 N ATOM 1073 CA ARG A 603 4.279 -0.961 -11.409 1.00 0.00 C ATOM 1074 C ARG A 603 3.699 -2.352 -11.171 1.00 0.00 C ATOM 1075 O ARG A 603 3.426 -3.092 -12.116 1.00 0.00 O ATOM 1076 CB ARG A 603 5.762 -1.070 -11.770 1.00 0.00 C ATOM 1077 CG ARG A 603 6.029 -1.932 -12.993 1.00 0.00 C ATOM 1078 CD ARG A 603 7.507 -1.953 -13.349 1.00 0.00 C ATOM 1079 NE ARG A 603 7.727 -2.283 -14.755 1.00 0.00 N ATOM 1080 CZ ARG A 603 7.790 -3.527 -15.215 1.00 0.00 C ATOM 1081 NH1 ARG A 603 7.650 -4.553 -14.387 1.00 0.00 N ATOM 1082 NH2 ARG A 603 7.993 -3.747 -16.508 1.00 0.00 N ATOM 0 H ARG A 603 4.975 0.134 -9.761 1.00 0.00 H new ATOM 0 HA ARG A 603 3.742 -0.500 -12.238 1.00 0.00 H new ATOM 0 HB2 ARG A 603 6.159 -0.070 -11.947 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.305 -1.482 -10.920 1.00 0.00 H new ATOM 0 HG2 ARG A 603 5.685 -2.949 -12.805 1.00 0.00 H new ATOM 0 HG3 ARG A 603 5.455 -1.553 -13.839 1.00 0.00 H new ATOM 0 HD2 ARG A 603 7.946 -0.979 -13.132 1.00 0.00 H new ATOM 0 HD3 ARG A 603 8.021 -2.681 -12.721 1.00 0.00 H new ATOM 0 HE ARG A 603 7.838 -1.517 -15.419 1.00 0.00 H new ATOM 0 HH11 ARG A 603 7.493 -4.388 -13.393 1.00 0.00 H new ATOM 0 HH12 ARG A 603 7.699 -5.507 -14.744 1.00 0.00 H new ATOM 0 HH21 ARG A 603 8.101 -2.960 -17.148 1.00 0.00 H new ATOM 0 HH22 ARG A 603 8.041 -4.703 -16.861 1.00 0.00 H new ATOM 1096 N LEU A 604 3.513 -2.700 -9.903 1.00 0.00 N ATOM 1097 CA LEU A 604 2.966 -4.003 -9.539 1.00 0.00 C ATOM 1098 C LEU A 604 1.447 -3.939 -9.416 1.00 0.00 C ATOM 1099 O LEU A 604 0.819 -4.847 -8.869 1.00 0.00 O ATOM 1100 CB LEU A 604 3.576 -4.486 -8.223 1.00 0.00 C ATOM 1101 CG LEU A 604 5.038 -4.931 -8.284 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.537 -5.315 -6.900 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.200 -6.092 -9.253 1.00 0.00 C ATOM 0 H LEU A 604 3.733 -2.098 -9.109 1.00 0.00 H new ATOM 0 HA LEU A 604 3.220 -4.710 -10.329 1.00 0.00 H new ATOM 0 HB2 LEU A 604 3.492 -3.683 -7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 604 2.979 -5.319 -7.853 1.00 0.00 H new ATOM 0 HG LEU A 604 5.638 -4.096 -8.645 1.00 0.00 H new ATOM 0 HD11 LEU A 604 6.579 -5.629 -6.963 1.00 0.00 H new ATOM 0 HD12 LEU A 604 5.456 -4.457 -6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 604 4.934 -6.135 -6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.246 -6.396 -9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 604 4.588 -6.931 -8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 604 4.882 -5.782 -10.249 1.00 0.00 H new ATOM 1115 N HIS A 605 0.861 -2.861 -9.928 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.586 -2.680 -9.878 1.00 0.00 C ATOM 1117 C HIS A 605 -1.300 -3.795 -10.636 1.00 0.00 C ATOM 1118 O HIS A 605 -0.772 -4.332 -11.611 1.00 0.00 O ATOM 1119 CB HIS A 605 -0.972 -1.322 -10.462 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.448 -1.070 -10.469 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -3.258 -1.306 -9.378 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -3.261 -0.598 -11.443 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.504 -0.993 -9.682 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.534 -0.560 -10.928 1.00 0.00 N ATOM 0 H HIS A 605 1.366 -2.100 -10.382 1.00 0.00 H new ATOM 0 HA HIS A 605 -0.896 -2.719 -8.834 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.480 -0.536 -9.888 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.596 -1.255 -11.483 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -2.964 -0.306 -12.439 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -5.355 -1.077 -9.022 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.367 -0.248 -11.427 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.501 -4.138 -10.183 1.00 0.00 N ATOM 1133 CA ARG A 606 -3.286 -5.189 -10.819 1.00 0.00 C ATOM 1134 C ARG A 606 -2.464 -6.467 -10.968 1.00 0.00 C ATOM 1135 O ARG A 606 -2.494 -7.119 -12.011 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.783 -4.728 -12.190 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.808 -3.608 -12.121 1.00 0.00 C ATOM 1138 CD ARG A 606 -4.743 -2.716 -13.350 1.00 0.00 C ATOM 1139 NE ARG A 606 -5.053 -3.448 -14.575 1.00 0.00 N ATOM 1140 CZ ARG A 606 -5.171 -2.873 -15.766 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -5.005 -1.563 -15.893 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -5.455 -3.606 -16.834 1.00 0.00 N ATOM 0 H ARG A 606 -2.952 -3.703 -9.378 1.00 0.00 H new ATOM 0 HA ARG A 606 -4.145 -5.401 -10.182 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.931 -4.394 -12.782 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -4.221 -5.578 -12.713 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -5.808 -4.033 -12.031 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -4.635 -3.010 -11.226 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -5.444 -1.889 -13.235 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -3.747 -2.281 -13.430 1.00 0.00 H new ATOM 0 HE ARG A 606 -5.186 -4.457 -14.512 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -4.786 -0.995 -15.075 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -5.096 -1.124 -16.809 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -5.583 -4.614 -16.742 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -5.545 -3.162 -17.748 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.730 -6.817 -9.917 1.00 0.00 N ATOM 1157 CA LYS A 607 -0.900 -8.016 -9.929 1.00 0.00 C ATOM 1158 C LYS A 607 -1.639 -9.196 -9.305 1.00 0.00 C ATOM 1159 O LYS A 607 -2.515 -9.016 -8.458 1.00 0.00 O ATOM 1160 CB LYS A 607 0.407 -7.764 -9.174 1.00 0.00 C ATOM 1161 CG LYS A 607 1.516 -7.202 -10.047 1.00 0.00 C ATOM 1162 CD LYS A 607 2.089 -8.263 -10.971 1.00 0.00 C ATOM 1163 CE LYS A 607 3.003 -9.220 -10.220 1.00 0.00 C ATOM 1164 NZ LYS A 607 3.489 -10.323 -11.094 1.00 0.00 N ATOM 0 H LYS A 607 -1.693 -6.287 -9.046 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.673 -8.259 -10.967 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.215 -7.072 -8.354 1.00 0.00 H new ATOM 0 HB3 LYS A 607 0.746 -8.699 -8.729 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.129 -6.373 -10.639 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.309 -6.801 -9.416 1.00 0.00 H new ATOM 0 HD2 LYS A 607 1.276 -8.822 -11.434 1.00 0.00 H new ATOM 0 HD3 LYS A 607 2.645 -7.784 -11.777 1.00 0.00 H new ATOM 0 HE2 LYS A 607 3.855 -8.670 -9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 607 2.468 -9.640 -9.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 4.108 -10.953 -10.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 2.677 -10.864 -11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 4.022 -9.924 -11.893 1.00 0.00 H new ATOM 1178 N LYS A 608 -1.281 -10.403 -9.730 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.908 -11.613 -9.212 1.00 0.00 C ATOM 1180 C LYS A 608 -1.132 -12.160 -8.017 1.00 0.00 C ATOM 1181 O LYS A 608 -0.108 -12.824 -8.181 1.00 0.00 O ATOM 1182 CB LYS A 608 -1.993 -12.678 -10.308 1.00 0.00 C ATOM 1183 CG LYS A 608 -2.656 -12.185 -11.584 1.00 0.00 C ATOM 1184 CD LYS A 608 -3.005 -13.336 -12.511 1.00 0.00 C ATOM 1185 CE LYS A 608 -4.282 -14.037 -12.073 1.00 0.00 C ATOM 1186 NZ LYS A 608 -4.689 -15.100 -13.033 1.00 0.00 N ATOM 0 H LYS A 608 -0.560 -10.569 -10.432 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.915 -11.357 -8.883 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -0.988 -13.028 -10.542 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -2.548 -13.536 -9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -3.561 -11.631 -11.334 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -1.989 -11.492 -12.097 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -3.124 -12.962 -13.528 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -2.183 -14.052 -12.529 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -4.135 -14.476 -11.086 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -5.084 -13.305 -11.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -5.563 -15.554 -12.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -4.854 -14.678 -13.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -3.934 -15.812 -13.103 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.627 -11.878 -6.817 1.00 0.00 N ATOM 1201 CA LEU A 609 -0.980 -12.343 -5.595 1.00 0.00 C ATOM 1202 C LEU A 609 -1.719 -13.543 -5.011 1.00 0.00 C ATOM 1203 O LEU A 609 -2.839 -13.416 -4.520 1.00 0.00 O ATOM 1204 CB LEU A 609 -0.923 -11.213 -4.564 1.00 0.00 C ATOM 1205 CG LEU A 609 -0.044 -11.468 -3.339 1.00 0.00 C ATOM 1206 CD1 LEU A 609 -0.036 -10.252 -2.426 1.00 0.00 C ATOM 1207 CD2 LEU A 609 -0.524 -12.700 -2.586 1.00 0.00 C ATOM 0 H LEU A 609 -2.474 -11.330 -6.664 1.00 0.00 H new ATOM 0 HA LEU A 609 0.035 -12.651 -5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.566 -10.311 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -1.938 -11.008 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 609 0.976 -11.649 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.595 -10.452 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 609 0.355 -9.392 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -1.052 -10.040 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 609 0.113 -12.867 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -1.552 -12.548 -2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -0.477 -13.569 -3.242 1.00 0.00 H new ATOM 1219 N ASN A 610 -1.082 -14.708 -5.067 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.677 -15.932 -4.542 1.00 0.00 C ATOM 1221 C ASN A 610 -2.999 -16.236 -5.241 1.00 0.00 C ATOM 1222 O ASN A 610 -3.902 -16.830 -4.653 1.00 0.00 O ATOM 1223 CB ASN A 610 -1.901 -15.808 -3.033 1.00 0.00 C ATOM 1224 CG ASN A 610 -0.681 -16.215 -2.233 1.00 0.00 C ATOM 1225 OD1 ASN A 610 0.381 -16.485 -2.793 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -0.827 -16.262 -0.913 1.00 0.00 N ATOM 0 H ASN A 610 -0.153 -14.830 -5.471 1.00 0.00 H new ATOM 0 HA ASN A 610 -0.987 -16.754 -4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -2.164 -14.778 -2.791 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -2.747 -16.430 -2.742 1.00 0.00 H new ATOM 0 HD21 ASN A 610 -0.040 -16.530 -0.322 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -1.726 -16.030 -0.491 1.00 0.00 H new ATOM 1233 N GLY A 611 -3.105 -15.824 -6.500 1.00 0.00 N ATOM 1234 CA GLY A 611 -4.319 -16.061 -7.259 1.00 0.00 C ATOM 1235 C GLY A 611 -5.401 -15.043 -6.956 1.00 0.00 C ATOM 1236 O GLY A 611 -6.586 -15.307 -7.161 1.00 0.00 O ATOM 0 H GLY A 611 -2.372 -15.330 -7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -4.089 -16.036 -8.324 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.693 -17.061 -7.038 1.00 0.00 H new ATOM 1240 N ARG A 612 -4.993 -13.877 -6.466 1.00 0.00 N ATOM 1241 CA ARG A 612 -5.937 -12.818 -6.132 1.00 0.00 C ATOM 1242 C ARG A 612 -5.501 -11.489 -6.741 1.00 0.00 C ATOM 1243 O ARG A 612 -4.439 -10.962 -6.410 1.00 0.00 O ATOM 1244 CB ARG A 612 -6.062 -12.678 -4.613 1.00 0.00 C ATOM 1245 CG ARG A 612 -7.111 -13.592 -4.002 1.00 0.00 C ATOM 1246 CD ARG A 612 -7.695 -12.996 -2.730 1.00 0.00 C ATOM 1247 NE ARG A 612 -8.714 -13.860 -2.140 1.00 0.00 N ATOM 1248 CZ ARG A 612 -9.964 -13.933 -2.585 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -10.347 -13.198 -3.620 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -10.834 -14.743 -1.995 1.00 0.00 N ATOM 0 H ARG A 612 -4.016 -13.642 -6.292 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.908 -13.087 -6.547 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -5.096 -12.891 -4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.308 -11.644 -4.371 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -7.909 -13.766 -4.724 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -6.666 -14.562 -3.780 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -6.896 -12.831 -2.007 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -8.130 -12.022 -2.952 1.00 0.00 H new ATOM 0 HE ARG A 612 -8.452 -14.439 -1.342 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -9.681 -12.574 -4.077 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -11.307 -13.256 -3.959 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -10.544 -15.311 -1.199 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -11.793 -14.798 -2.338 1.00 0.00 H new ATOM 1264 N GLU A 613 -6.328 -10.953 -7.634 1.00 0.00 N ATOM 1265 CA GLU A 613 -6.026 -9.687 -8.291 1.00 0.00 C ATOM 1266 C GLU A 613 -5.929 -8.555 -7.272 1.00 0.00 C ATOM 1267 O GLU A 613 -6.936 -8.113 -6.722 1.00 0.00 O ATOM 1268 CB GLU A 613 -7.097 -9.359 -9.332 1.00 0.00 C ATOM 1269 CG GLU A 613 -7.256 -10.429 -10.399 1.00 0.00 C ATOM 1270 CD GLU A 613 -8.591 -10.345 -11.116 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -9.635 -10.399 -10.434 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -8.591 -10.224 -12.359 1.00 0.00 O ATOM 0 H GLU A 613 -7.212 -11.376 -7.919 1.00 0.00 H new ATOM 0 HA GLU A 613 -5.062 -9.787 -8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -8.052 -9.217 -8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.847 -8.413 -9.812 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -6.450 -10.333 -11.127 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -7.156 -11.412 -9.940 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.707 -8.093 -7.025 1.00 0.00 N ATOM 1280 CA ALA A 614 -4.477 -7.013 -6.074 1.00 0.00 C ATOM 1281 C ALA A 614 -4.514 -5.655 -6.766 1.00 0.00 C ATOM 1282 O ALA A 614 -4.238 -5.548 -7.961 1.00 0.00 O ATOM 1283 CB ALA A 614 -3.147 -7.210 -5.364 1.00 0.00 C ATOM 0 H ALA A 614 -3.862 -8.450 -7.470 1.00 0.00 H new ATOM 0 HA ALA A 614 -5.278 -7.036 -5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -2.988 -6.396 -4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -3.158 -8.159 -4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -2.341 -7.216 -6.097 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.858 -4.619 -6.008 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.932 -3.267 -6.550 1.00 0.00 C ATOM 1291 C PHE A 615 -4.106 -2.297 -5.709 1.00 0.00 C ATOM 1292 O PHE A 615 -4.401 -2.068 -4.536 1.00 0.00 O ATOM 1293 CB PHE A 615 -6.387 -2.797 -6.608 1.00 0.00 C ATOM 1294 CG PHE A 615 -7.247 -3.619 -7.524 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -7.212 -3.418 -8.895 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -8.089 -4.594 -7.016 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -8.003 -4.172 -9.740 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -8.882 -5.353 -7.857 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.838 -5.142 -9.221 1.00 0.00 C ATOM 0 H PHE A 615 -5.090 -4.690 -5.017 1.00 0.00 H new ATOM 0 HA PHE A 615 -4.522 -3.285 -7.560 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.810 -2.825 -5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -6.412 -1.758 -6.935 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -6.559 -2.663 -9.307 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -8.127 -4.764 -5.950 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -7.968 -4.003 -10.806 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -9.535 -6.110 -7.448 1.00 0.00 H new ATOM 0 HZ PHE A 615 -9.455 -5.734 -9.880 1.00 0.00 H new ATOM 1309 N VAL A 616 -3.069 -1.732 -6.318 1.00 0.00 N ATOM 1310 CA VAL A 616 -2.199 -0.787 -5.627 1.00 0.00 C ATOM 1311 C VAL A 616 -2.532 0.649 -6.013 1.00 0.00 C ATOM 1312 O VAL A 616 -2.751 0.954 -7.186 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.715 -1.060 -5.938 1.00 0.00 C ATOM 1314 CG1 VAL A 616 0.181 -0.301 -4.971 1.00 0.00 C ATOM 1315 CG2 VAL A 616 -0.426 -2.553 -5.887 1.00 0.00 C ATOM 0 H VAL A 616 -2.810 -1.912 -7.288 1.00 0.00 H new ATOM 0 HA VAL A 616 -2.369 -0.922 -4.559 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.502 -0.707 -6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 616 1.226 -0.506 -5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 616 -0.009 0.768 -5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 616 -0.031 -0.621 -3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 616 0.627 -2.728 -6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.655 -2.934 -4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -1.043 -3.068 -6.624 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.566 1.531 -5.018 1.00 0.00 N ATOM 1326 CA HIS A 617 -2.872 2.937 -5.253 1.00 0.00 C ATOM 1327 C HIS A 617 -1.854 3.838 -4.560 1.00 0.00 C ATOM 1328 O HIS A 617 -1.731 3.826 -3.335 1.00 0.00 O ATOM 1329 CB HIS A 617 -4.280 3.266 -4.757 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.361 2.853 -5.710 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -6.073 1.680 -5.578 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -5.851 3.468 -6.811 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -6.953 1.590 -6.558 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -6.839 2.662 -7.321 1.00 0.00 N ATOM 0 H HIS A 617 -2.385 1.296 -4.042 1.00 0.00 H new ATOM 0 HA HIS A 617 -2.822 3.118 -6.327 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -4.444 2.773 -3.799 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -4.353 4.339 -4.580 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -5.526 4.416 -7.214 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.648 0.778 -6.710 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -7.394 2.859 -8.154 1.00 0.00 H new ATOM 1342 N VAL A 618 -1.122 4.616 -5.352 1.00 0.00 N ATOM 1343 CA VAL A 618 -0.115 5.522 -4.814 1.00 0.00 C ATOM 1344 C VAL A 618 -0.758 6.781 -4.242 1.00 0.00 C ATOM 1345 O VAL A 618 -1.510 7.473 -4.928 1.00 0.00 O ATOM 1346 CB VAL A 618 0.909 5.926 -5.892 1.00 0.00 C ATOM 1347 CG1 VAL A 618 2.102 6.628 -5.260 1.00 0.00 C ATOM 1348 CG2 VAL A 618 1.355 4.707 -6.685 1.00 0.00 C ATOM 0 H VAL A 618 -1.208 4.637 -6.368 1.00 0.00 H new ATOM 0 HA VAL A 618 0.400 4.986 -4.017 1.00 0.00 H new ATOM 0 HB VAL A 618 0.431 6.624 -6.580 1.00 0.00 H new ATOM 0 HG11 VAL A 618 2.814 6.906 -6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 618 1.763 7.525 -4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 618 2.584 5.957 -4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 618 2.078 5.010 -7.442 1.00 0.00 H new ATOM 0 HG22 VAL A 618 1.816 3.984 -6.012 1.00 0.00 H new ATOM 0 HG23 VAL A 618 0.491 4.252 -7.170 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.454 7.073 -2.982 1.00 0.00 N ATOM 1359 CA VAL A 619 -1.000 8.250 -2.316 1.00 0.00 C ATOM 1360 C VAL A 619 0.074 8.978 -1.517 1.00 0.00 C ATOM 1361 O VAL A 619 1.246 8.600 -1.543 1.00 0.00 O ATOM 1362 CB VAL A 619 -2.160 7.875 -1.375 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.278 7.194 -2.150 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -1.663 6.985 -0.246 1.00 0.00 C ATOM 0 H VAL A 619 0.168 6.511 -2.401 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.376 8.910 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.560 8.789 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -4.089 6.936 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -3.652 7.870 -2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -2.896 6.287 -2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.496 6.730 0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -1.236 6.073 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -0.900 7.514 0.326 1.00 0.00 H new ATOM 1374 N THR A 620 -0.332 10.024 -0.805 1.00 0.00 N ATOM 1375 CA THR A 620 0.595 10.806 0.004 1.00 0.00 C ATOM 1376 C THR A 620 0.676 10.265 1.426 1.00 0.00 C ATOM 1377 O THR A 620 -0.059 9.348 1.795 1.00 0.00 O ATOM 1378 CB THR A 620 0.184 12.290 0.053 1.00 0.00 C ATOM 1379 OG1 THR A 620 -1.196 12.403 0.416 1.00 0.00 O ATOM 1380 CG2 THR A 620 0.417 12.961 -1.292 1.00 0.00 C ATOM 0 H THR A 620 -1.298 10.350 -0.772 1.00 0.00 H new ATOM 0 HA THR A 620 1.574 10.723 -0.469 1.00 0.00 H new ATOM 0 HB THR A 620 0.799 12.791 0.801 1.00 0.00 H new ATOM 0 HG1 THR A 620 -1.450 13.349 0.447 1.00 0.00 H new ATOM 0 HG21 THR A 620 0.119 14.008 -1.233 1.00 0.00 H new ATOM 0 HG22 THR A 620 1.474 12.898 -1.552 1.00 0.00 H new ATOM 0 HG23 THR A 620 -0.175 12.458 -2.057 1.00 0.00 H new ATOM 1388 N LEU A 621 1.573 10.837 2.221 1.00 0.00 N ATOM 1389 CA LEU A 621 1.750 10.412 3.606 1.00 0.00 C ATOM 1390 C LEU A 621 0.520 10.753 4.440 1.00 0.00 C ATOM 1391 O LEU A 621 0.100 9.970 5.293 1.00 0.00 O ATOM 1392 CB LEU A 621 2.989 11.076 4.209 1.00 0.00 C ATOM 1393 CG LEU A 621 3.198 10.867 5.709 1.00 0.00 C ATOM 1394 CD1 LEU A 621 3.051 9.397 6.070 1.00 0.00 C ATOM 1395 CD2 LEU A 621 4.563 11.388 6.135 1.00 0.00 C ATOM 0 H LEU A 621 2.189 11.596 1.931 1.00 0.00 H new ATOM 0 HA LEU A 621 1.884 9.330 3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 621 3.869 10.703 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 621 2.933 12.147 4.016 1.00 0.00 H new ATOM 0 HG LEU A 621 2.433 11.429 6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 621 3.203 9.269 7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 621 2.051 9.055 5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 621 3.793 8.813 5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 621 4.694 11.231 7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 621 5.342 10.854 5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 621 4.631 12.453 5.913 1.00 0.00 H new ATOM 1407 N GLU A 622 -0.055 11.925 4.188 1.00 0.00 N ATOM 1408 CA GLU A 622 -1.239 12.367 4.916 1.00 0.00 C ATOM 1409 C GLU A 622 -2.390 11.381 4.734 1.00 0.00 C ATOM 1410 O GLU A 622 -3.084 11.038 5.691 1.00 0.00 O ATOM 1411 CB GLU A 622 -1.666 13.759 4.444 1.00 0.00 C ATOM 1412 CG GLU A 622 -2.897 14.292 5.156 1.00 0.00 C ATOM 1413 CD GLU A 622 -3.452 15.543 4.504 1.00 0.00 C ATOM 1414 OE1 GLU A 622 -2.675 16.501 4.300 1.00 0.00 O ATOM 1415 OE2 GLU A 622 -4.662 15.566 4.197 1.00 0.00 O ATOM 0 H GLU A 622 0.280 12.585 3.486 1.00 0.00 H new ATOM 0 HA GLU A 622 -0.986 12.412 5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 622 -0.840 14.454 4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -1.862 13.726 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 622 -3.667 13.521 5.168 1.00 0.00 H new ATOM 0 HG3 GLU A 622 -2.646 14.509 6.194 1.00 0.00 H new ATOM 1422 N ASP A 623 -2.586 10.930 3.500 1.00 0.00 N ATOM 1423 CA ASP A 623 -3.650 9.984 3.191 1.00 0.00 C ATOM 1424 C ASP A 623 -3.422 8.656 3.908 1.00 0.00 C ATOM 1425 O ASP A 623 -4.368 8.021 4.375 1.00 0.00 O ATOM 1426 CB ASP A 623 -3.737 9.755 1.682 1.00 0.00 C ATOM 1427 CG ASP A 623 -4.680 10.728 1.001 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -5.885 10.714 1.329 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -4.212 11.504 0.143 1.00 0.00 O ATOM 0 H ASP A 623 -2.021 11.205 2.697 1.00 0.00 H new ATOM 0 HA ASP A 623 -4.591 10.408 3.540 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -2.743 9.851 1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -4.072 8.735 1.491 1.00 0.00 H new ATOM 1434 N MET A 624 -2.162 8.242 3.989 1.00 0.00 N ATOM 1435 CA MET A 624 -1.810 6.991 4.649 1.00 0.00 C ATOM 1436 C MET A 624 -2.130 7.052 6.139 1.00 0.00 C ATOM 1437 O MET A 624 -2.753 6.144 6.688 1.00 0.00 O ATOM 1438 CB MET A 624 -0.326 6.682 4.445 1.00 0.00 C ATOM 1439 CG MET A 624 0.087 5.314 4.962 1.00 0.00 C ATOM 1440 SD MET A 624 1.845 5.219 5.350 1.00 0.00 S ATOM 1441 CE MET A 624 1.815 5.472 7.123 1.00 0.00 C ATOM 0 H MET A 624 -1.368 8.755 3.606 1.00 0.00 H new ATOM 0 HA MET A 624 -2.404 6.194 4.202 1.00 0.00 H new ATOM 0 HB2 MET A 624 -0.093 6.745 3.382 1.00 0.00 H new ATOM 0 HB3 MET A 624 0.268 7.446 4.947 1.00 0.00 H new ATOM 0 HG2 MET A 624 -0.491 5.078 5.855 1.00 0.00 H new ATOM 0 HG3 MET A 624 -0.157 4.559 4.215 1.00 0.00 H new ATOM 0 HE1 MET A 624 2.833 5.440 7.512 1.00 0.00 H new ATOM 0 HE2 MET A 624 1.372 6.443 7.345 1.00 0.00 H new ATOM 0 HE3 MET A 624 1.222 4.687 7.593 1.00 0.00 H new ATOM 1451 N ARG A 625 -1.697 8.129 6.788 1.00 0.00 N ATOM 1452 CA ARG A 625 -1.936 8.308 8.215 1.00 0.00 C ATOM 1453 C ARG A 625 -3.431 8.346 8.516 1.00 0.00 C ATOM 1454 O ARG A 625 -3.868 7.939 9.591 1.00 0.00 O ATOM 1455 CB ARG A 625 -1.273 9.596 8.707 1.00 0.00 C ATOM 1456 CG ARG A 625 -0.896 9.563 10.179 1.00 0.00 C ATOM 1457 CD ARG A 625 0.367 8.749 10.413 1.00 0.00 C ATOM 1458 NE ARG A 625 1.572 9.504 10.081 1.00 0.00 N ATOM 1459 CZ ARG A 625 2.012 10.536 10.791 1.00 0.00 C ATOM 1460 NH1 ARG A 625 1.348 10.936 11.867 1.00 0.00 N ATOM 1461 NH2 ARG A 625 3.118 11.172 10.424 1.00 0.00 N ATOM 0 H ARG A 625 -1.179 8.890 6.348 1.00 0.00 H new ATOM 0 HA ARG A 625 -1.499 7.459 8.740 1.00 0.00 H new ATOM 0 HB2 ARG A 625 -0.377 9.782 8.115 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -1.950 10.433 8.533 1.00 0.00 H new ATOM 0 HG2 ARG A 625 -0.746 10.580 10.540 1.00 0.00 H new ATOM 0 HG3 ARG A 625 -1.717 9.137 10.756 1.00 0.00 H new ATOM 0 HD2 ARG A 625 0.410 8.438 11.457 1.00 0.00 H new ATOM 0 HD3 ARG A 625 0.330 7.841 9.811 1.00 0.00 H new ATOM 0 HE ARG A 625 2.105 9.223 9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 625 0.497 10.451 12.151 1.00 0.00 H new ATOM 0 HH12 ARG A 625 1.688 11.729 12.411 1.00 0.00 H new ATOM 0 HH21 ARG A 625 3.630 10.868 9.596 1.00 0.00 H new ATOM 0 HH22 ARG A 625 3.455 11.965 10.970 1.00 0.00 H new ATOM 1475 N GLU A 626 -4.210 8.838 7.557 1.00 0.00 N ATOM 1476 CA GLU A 626 -5.656 8.931 7.721 1.00 0.00 C ATOM 1477 C GLU A 626 -6.300 7.550 7.658 1.00 0.00 C ATOM 1478 O GLU A 626 -7.000 7.136 8.584 1.00 0.00 O ATOM 1479 CB GLU A 626 -6.257 9.835 6.642 1.00 0.00 C ATOM 1480 CG GLU A 626 -6.200 11.314 6.987 1.00 0.00 C ATOM 1481 CD GLU A 626 -7.279 11.727 7.969 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -8.473 11.617 7.618 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -6.929 12.160 9.087 1.00 0.00 O ATOM 0 H GLU A 626 -3.864 9.178 6.660 1.00 0.00 H new ATOM 0 HA GLU A 626 -5.858 9.363 8.701 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.727 9.669 5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -7.296 9.549 6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -5.222 11.547 7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -6.302 11.900 6.074 1.00 0.00 H new ATOM 1490 N ILE A 627 -6.059 6.840 6.560 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.615 5.505 6.377 1.00 0.00 C ATOM 1492 C ILE A 627 -6.190 4.573 7.507 1.00 0.00 C ATOM 1493 O ILE A 627 -7.013 3.853 8.072 1.00 0.00 O ATOM 1494 CB ILE A 627 -6.180 4.893 5.032 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -6.584 5.811 3.877 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -6.788 3.510 4.857 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -5.857 5.510 2.584 1.00 0.00 C ATOM 0 H ILE A 627 -5.483 7.167 5.785 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.700 5.612 6.385 1.00 0.00 H new ATOM 0 HB ILE A 627 -5.095 4.792 5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -7.657 5.721 3.710 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -6.391 6.846 4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -6.471 3.091 3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -6.454 2.861 5.666 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -7.875 3.585 4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -6.193 6.199 1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -4.784 5.628 2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -6.070 4.486 2.277 1.00 0.00 H new ATOM 1509 N GLU A 628 -4.901 4.593 7.832 1.00 0.00 N ATOM 1510 CA GLU A 628 -4.368 3.751 8.896 1.00 0.00 C ATOM 1511 C GLU A 628 -5.270 3.793 10.127 1.00 0.00 C ATOM 1512 O GLU A 628 -5.662 2.755 10.660 1.00 0.00 O ATOM 1513 CB GLU A 628 -2.953 4.198 9.271 1.00 0.00 C ATOM 1514 CG GLU A 628 -2.134 3.114 9.951 1.00 0.00 C ATOM 1515 CD GLU A 628 -1.027 3.680 10.819 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -0.116 4.332 10.268 1.00 0.00 O ATOM 1517 OE2 GLU A 628 -1.071 3.471 12.050 1.00 0.00 O ATOM 0 H GLU A 628 -4.207 5.183 7.374 1.00 0.00 H new ATOM 0 HA GLU A 628 -4.331 2.725 8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -2.433 4.524 8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -3.017 5.062 9.932 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -2.792 2.497 10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -1.700 2.462 9.193 1.00 0.00 H new ATOM 1524 N LYS A 629 -5.594 5.001 10.574 1.00 0.00 N ATOM 1525 CA LYS A 629 -6.449 5.182 11.741 1.00 0.00 C ATOM 1526 C LYS A 629 -7.861 4.674 11.464 1.00 0.00 C ATOM 1527 O LYS A 629 -8.409 3.887 12.234 1.00 0.00 O ATOM 1528 CB LYS A 629 -6.496 6.658 12.141 1.00 0.00 C ATOM 1529 CG LYS A 629 -5.145 7.219 12.554 1.00 0.00 C ATOM 1530 CD LYS A 629 -5.168 8.737 12.615 1.00 0.00 C ATOM 1531 CE LYS A 629 -4.094 9.273 13.550 1.00 0.00 C ATOM 1532 NZ LYS A 629 -4.167 10.755 13.687 1.00 0.00 N ATOM 0 H LYS A 629 -5.277 5.871 10.145 1.00 0.00 H new ATOM 0 HA LYS A 629 -6.027 4.603 12.563 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -6.882 7.241 11.304 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -7.198 6.780 12.965 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -4.866 6.819 13.529 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -4.383 6.894 11.846 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -5.018 9.145 11.615 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -6.148 9.074 12.953 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -4.204 8.812 14.531 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -3.111 8.991 13.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -3.419 11.081 14.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -4.037 11.197 12.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -5.096 11.023 14.070 1.00 0.00 H new ATOM 1546 N ASN A 630 -8.444 5.132 10.360 1.00 0.00 N ATOM 1547 CA ASN A 630 -9.791 4.723 9.983 1.00 0.00 C ATOM 1548 C ASN A 630 -9.802 4.104 8.588 1.00 0.00 C ATOM 1549 O ASN A 630 -9.914 4.795 7.576 1.00 0.00 O ATOM 1550 CB ASN A 630 -10.742 5.920 10.028 1.00 0.00 C ATOM 1551 CG ASN A 630 -10.188 7.127 9.293 1.00 0.00 C ATOM 1552 OD1 ASN A 630 -9.236 7.761 9.747 1.00 0.00 O ATOM 1553 ND2 ASN A 630 -10.784 7.447 8.150 1.00 0.00 N ATOM 0 H ASN A 630 -8.004 5.786 9.712 1.00 0.00 H new ATOM 0 HA ASN A 630 -10.128 3.972 10.698 1.00 0.00 H new ATOM 0 HB2 ASN A 630 -11.698 5.637 9.588 1.00 0.00 H new ATOM 0 HB3 ASN A 630 -10.936 6.188 11.067 1.00 0.00 H new ATOM 0 HD21 ASN A 630 -10.455 8.248 7.610 1.00 0.00 H new ATOM 0 HD22 ASN A 630 -11.570 6.892 7.812 1.00 0.00 H new ATOM 1560 N PRO A 631 -9.683 2.769 8.532 1.00 0.00 N ATOM 1561 CA PRO A 631 -9.676 2.027 7.267 1.00 0.00 C ATOM 1562 C PRO A 631 -11.070 1.905 6.661 1.00 0.00 C ATOM 1563 O PRO A 631 -12.084 1.983 7.354 1.00 0.00 O ATOM 1564 CB PRO A 631 -9.144 0.649 7.668 1.00 0.00 C ATOM 1565 CG PRO A 631 -9.533 0.493 9.098 1.00 0.00 C ATOM 1566 CD PRO A 631 -9.546 1.881 9.699 1.00 0.00 C ATOM 0 HA PRO A 631 -9.077 2.524 6.504 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -9.579 -0.138 7.052 1.00 0.00 H new ATOM 0 HB3 PRO A 631 -8.063 0.591 7.543 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -10.514 0.025 9.183 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -8.826 -0.150 9.623 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -10.374 2.007 10.397 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -8.629 2.086 10.252 1.00 0.00 H new ATOM 1574 N PRO A 632 -11.123 1.709 5.335 1.00 0.00 N ATOM 1575 CA PRO A 632 -12.387 1.570 4.605 1.00 0.00 C ATOM 1576 C PRO A 632 -13.008 0.189 4.779 1.00 0.00 C ATOM 1577 O PRO A 632 -12.365 -0.733 5.282 1.00 0.00 O ATOM 1578 CB PRO A 632 -11.980 1.795 3.146 1.00 0.00 C ATOM 1579 CG PRO A 632 -10.555 1.365 3.080 1.00 0.00 C ATOM 1580 CD PRO A 632 -9.953 1.606 4.446 1.00 0.00 C ATOM 0 HA PRO A 632 -13.144 2.268 4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 632 -12.602 1.211 2.467 1.00 0.00 H new ATOM 0 HB3 PRO A 632 -12.092 2.841 2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 632 -10.483 0.312 2.808 1.00 0.00 H new ATOM 0 HG3 PRO A 632 -10.018 1.929 2.318 1.00 0.00 H new ATOM 0 HD2 PRO A 632 -9.296 0.788 4.743 1.00 0.00 H new ATOM 0 HD3 PRO A 632 -9.356 2.518 4.464 1.00 0.00 H new ATOM 1588 N ALA A 633 -14.262 0.053 4.359 1.00 0.00 N ATOM 1589 CA ALA A 633 -14.969 -1.218 4.466 1.00 0.00 C ATOM 1590 C ALA A 633 -14.988 -1.950 3.129 1.00 0.00 C ATOM 1591 O ALA A 633 -14.624 -3.123 3.048 1.00 0.00 O ATOM 1592 CB ALA A 633 -16.388 -0.992 4.965 1.00 0.00 C ATOM 0 H ALA A 633 -14.809 0.806 3.942 1.00 0.00 H new ATOM 0 HA ALA A 633 -14.437 -1.841 5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 633 -16.904 -1.949 5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 633 -16.358 -0.518 5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 633 -16.921 -0.346 4.267 1.00 0.00 H new ATOM 1598 N GLN A 634 -15.414 -1.250 2.082 1.00 0.00 N ATOM 1599 CA GLN A 634 -15.481 -1.836 0.749 1.00 0.00 C ATOM 1600 C GLN A 634 -14.228 -1.505 -0.055 1.00 0.00 C ATOM 1601 O GLN A 634 -13.656 -2.371 -0.716 1.00 0.00 O ATOM 1602 CB GLN A 634 -16.723 -1.333 0.009 1.00 0.00 C ATOM 1603 CG GLN A 634 -18.024 -1.912 0.540 1.00 0.00 C ATOM 1604 CD GLN A 634 -19.210 -1.000 0.301 1.00 0.00 C ATOM 1605 OE1 GLN A 634 -19.087 0.041 -0.346 1.00 0.00 O ATOM 1606 NE2 GLN A 634 -20.368 -1.384 0.824 1.00 0.00 N ATOM 0 H GLN A 634 -15.717 -0.277 2.131 1.00 0.00 H new ATOM 0 HA GLN A 634 -15.545 -2.919 0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 634 -16.763 -0.246 0.081 1.00 0.00 H new ATOM 0 HB3 GLN A 634 -16.630 -1.580 -1.049 1.00 0.00 H new ATOM 0 HG2 GLN A 634 -18.209 -2.875 0.064 1.00 0.00 H new ATOM 0 HG3 GLN A 634 -17.924 -2.099 1.609 1.00 0.00 H new ATOM 0 HE21 GLN A 634 -20.425 -2.254 1.353 1.00 0.00 H new ATOM 0 HE22 GLN A 634 -21.201 -0.809 0.697 1.00 0.00 H new ATOM 1615 N GLY A 635 -13.806 -0.246 0.007 1.00 0.00 N ATOM 1616 CA GLY A 635 -12.623 0.176 -0.720 1.00 0.00 C ATOM 1617 C GLY A 635 -12.949 1.128 -1.854 1.00 0.00 C ATOM 1618 O GLY A 635 -13.639 0.759 -2.805 1.00 0.00 O ATOM 0 H GLY A 635 -14.262 0.489 0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 635 -11.930 0.660 -0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 635 -12.114 -0.701 -1.121 1.00 0.00 H new ATOM 1622 N LYS A 636 -12.453 2.356 -1.756 1.00 0.00 N ATOM 1623 CA LYS A 636 -12.694 3.364 -2.782 1.00 0.00 C ATOM 1624 C LYS A 636 -11.845 3.095 -4.020 1.00 0.00 C ATOM 1625 O LYS A 636 -10.698 2.660 -3.915 1.00 0.00 O ATOM 1626 CB LYS A 636 -12.389 4.761 -2.235 1.00 0.00 C ATOM 1627 CG LYS A 636 -12.824 5.884 -3.160 1.00 0.00 C ATOM 1628 CD LYS A 636 -14.296 6.217 -2.978 1.00 0.00 C ATOM 1629 CE LYS A 636 -14.521 7.095 -1.756 1.00 0.00 C ATOM 1630 NZ LYS A 636 -15.961 7.173 -1.386 1.00 0.00 N ATOM 0 H LYS A 636 -11.881 2.678 -0.975 1.00 0.00 H new ATOM 0 HA LYS A 636 -13.745 3.313 -3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 636 -12.886 4.882 -1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 636 -11.317 4.845 -2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 636 -12.222 6.772 -2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 636 -12.640 5.596 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 636 -14.668 6.726 -3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 636 -14.869 5.295 -2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 636 -13.951 6.700 -0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 636 -14.142 8.098 -1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 636 -16.072 7.780 -0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 636 -16.502 7.574 -2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 636 -16.316 6.219 -1.171 1.00 0.00 H new ATOM 1644 N SER A 637 -12.416 3.356 -5.192 1.00 0.00 N ATOM 1645 CA SER A 637 -11.712 3.139 -6.450 1.00 0.00 C ATOM 1646 C SER A 637 -10.543 4.110 -6.593 1.00 0.00 C ATOM 1647 O SER A 637 -9.426 3.711 -6.918 1.00 0.00 O ATOM 1648 CB SER A 637 -12.672 3.301 -7.630 1.00 0.00 C ATOM 1649 OG SER A 637 -12.734 4.651 -8.055 1.00 0.00 O ATOM 0 H SER A 637 -13.364 3.718 -5.296 1.00 0.00 H new ATOM 0 HA SER A 637 -11.319 2.122 -6.448 1.00 0.00 H new ATOM 0 HB2 SER A 637 -12.346 2.671 -8.457 1.00 0.00 H new ATOM 0 HB3 SER A 637 -13.667 2.961 -7.343 1.00 0.00 H new ATOM 0 HG SER A 637 -13.353 4.728 -8.811 1.00 0.00 H new ATOM 1655 N GLY A 638 -10.812 5.389 -6.348 1.00 0.00 N ATOM 1656 CA GLY A 638 -9.774 6.398 -6.455 1.00 0.00 C ATOM 1657 C GLY A 638 -10.290 7.701 -7.032 1.00 0.00 C ATOM 1658 O GLY A 638 -11.494 7.956 -7.066 1.00 0.00 O ATOM 0 H GLY A 638 -11.729 5.744 -6.078 1.00 0.00 H new ATOM 0 HA2 GLY A 638 -9.349 6.584 -5.469 1.00 0.00 H new ATOM 0 HA3 GLY A 638 -8.967 6.020 -7.083 1.00 0.00 H new ATOM 1662 N PRO A 639 -9.365 8.554 -7.498 1.00 0.00 N ATOM 1663 CA PRO A 639 -9.710 9.853 -8.084 1.00 0.00 C ATOM 1664 C PRO A 639 -10.238 9.724 -9.507 1.00 0.00 C ATOM 1665 O PRO A 639 -9.467 9.588 -10.456 1.00 0.00 O ATOM 1666 CB PRO A 639 -8.379 10.610 -8.073 1.00 0.00 C ATOM 1667 CG PRO A 639 -7.339 9.548 -8.150 1.00 0.00 C ATOM 1668 CD PRO A 639 -7.912 8.315 -7.488 1.00 0.00 C ATOM 0 HA PRO A 639 -10.505 10.353 -7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 639 -8.307 11.296 -8.917 1.00 0.00 H new ATOM 0 HB3 PRO A 639 -8.270 11.206 -7.167 1.00 0.00 H new ATOM 0 HG2 PRO A 639 -7.076 9.341 -9.187 1.00 0.00 H new ATOM 0 HG3 PRO A 639 -6.426 9.866 -7.647 1.00 0.00 H new ATOM 0 HD2 PRO A 639 -7.652 7.409 -8.036 1.00 0.00 H new ATOM 0 HD3 PRO A 639 -7.534 8.193 -6.473 1.00 0.00 H new ATOM 1676 N SER A 640 -11.560 9.770 -9.650 1.00 0.00 N ATOM 1677 CA SER A 640 -12.192 9.655 -10.959 1.00 0.00 C ATOM 1678 C SER A 640 -11.392 10.409 -12.016 1.00 0.00 C ATOM 1679 O SER A 640 -10.883 11.501 -11.763 1.00 0.00 O ATOM 1680 CB SER A 640 -13.624 10.192 -10.905 1.00 0.00 C ATOM 1681 OG SER A 640 -13.651 11.525 -10.427 1.00 0.00 O ATOM 0 H SER A 640 -12.213 9.886 -8.875 1.00 0.00 H new ATOM 0 HA SER A 640 -12.217 8.600 -11.233 1.00 0.00 H new ATOM 0 HB2 SER A 640 -14.069 10.150 -11.899 1.00 0.00 H new ATOM 0 HB3 SER A 640 -14.229 9.558 -10.257 1.00 0.00 H new ATOM 0 HG SER A 640 -14.577 11.845 -10.404 1.00 0.00 H new ATOM 1687 N SER A 641 -11.288 9.819 -13.202 1.00 0.00 N ATOM 1688 CA SER A 641 -10.547 10.433 -14.298 1.00 0.00 C ATOM 1689 C SER A 641 -11.491 11.160 -15.252 1.00 0.00 C ATOM 1690 O SER A 641 -12.653 10.784 -15.398 1.00 0.00 O ATOM 1691 CB SER A 641 -9.750 9.372 -15.061 1.00 0.00 C ATOM 1692 OG SER A 641 -10.578 8.285 -15.435 1.00 0.00 O ATOM 0 H SER A 641 -11.707 8.917 -13.429 1.00 0.00 H new ATOM 0 HA SER A 641 -9.856 11.161 -13.873 1.00 0.00 H new ATOM 0 HB2 SER A 641 -9.304 9.817 -15.951 1.00 0.00 H new ATOM 0 HB3 SER A 641 -8.930 9.012 -14.440 1.00 0.00 H new ATOM 0 HG SER A 641 -10.046 7.621 -15.922 1.00 0.00 H new ATOM 1698 N GLY A 642 -10.981 12.203 -15.899 1.00 0.00 N ATOM 1699 CA GLY A 642 -11.791 12.967 -16.830 1.00 0.00 C ATOM 1700 C GLY A 642 -11.735 14.457 -16.560 1.00 0.00 C ATOM 1701 O GLY A 642 -11.552 15.255 -17.480 1.00 0.00 O ATOM 0 H GLY A 642 -10.021 12.533 -15.795 1.00 0.00 H new ATOM 0 HA2 GLY A 642 -11.451 12.772 -17.847 1.00 0.00 H new ATOM 0 HA3 GLY A 642 -12.825 12.629 -16.769 1.00 0.00 H new TER 1705 GLY A 642