USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 556 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 551 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 555 GLN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 519 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 522 THR OG1 : rot 180:sc= 0 USER MOD Single : A 523 SER OG : rot 180:sc= 0 USER MOD Single : A 524 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 526 THR OG1 : rot 19:sc= 0.592 USER MOD Single : A 530 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 532 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 535 MET CE :methyl -168:sc= -2.23 (180deg=-2.43) USER MOD Single : A 536 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 544 MET CE :methyl 158:sc= -2.19! (180deg=-3.17!) USER MOD Single : A 545 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 549 MET CE :methyl 180:sc= -4.92! (180deg=-4.92!) USER MOD Single : A 550 GLN : amide:sc= -0.156 K(o=-0.16,f=-0.69) USER MOD Single : A 554 GLN : amide:sc=-0.00225 K(o=-0.0023,f=-0.85) USER MOD Single : A 557 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 558 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 559 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 566 HIS : no HE2:sc= -9.13! C(o=-9.1!,f=-9.9!) USER MOD Single : A 567 MET CE :methyl -163:sc=-0.00602 (180deg=-0.338) USER MOD Single : A 568 LYS NZ :NH3+ 125:sc= -0.0687 (180deg=-0.619) USER MOD Single : A 569 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.7) USER MOD Single : A 574 LYS NZ :NH3+ -112:sc= 0.175 (180deg=-0.0225) USER MOD Single : A 575 LYS NZ :NH3+ 136:sc= -1.05 (180deg=-1.6) USER MOD Single : A 577 GLN : amide:sc= -5.61 X(o=-5.6,f=-5.4!) USER MOD Single : A 578 THR OG1 : rot 93:sc= 1.2 USER MOD Single : A 587 THR OG1 : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 519 70.470 0.816 26.272 1.00 0.00 N ATOM 2 CA GLN A 519 69.860 -0.440 25.843 1.00 0.00 C ATOM 3 C GLN A 519 70.477 -0.919 24.526 1.00 0.00 C ATOM 4 O GLN A 519 71.011 -0.114 23.761 1.00 0.00 O ATOM 5 CB GLN A 519 68.344 -0.263 25.674 1.00 0.00 C ATOM 6 CG GLN A 519 68.053 0.903 24.723 1.00 0.00 C ATOM 7 CD GLN A 519 66.666 0.742 24.110 1.00 0.00 C ATOM 8 OE1 GLN A 519 66.534 0.236 22.994 1.00 0.00 O ATOM 9 NE2 GLN A 519 65.617 1.143 24.774 1.00 0.00 N ATOM 0 HA GLN A 519 70.049 -1.191 26.610 1.00 0.00 H new ATOM 0 HB2 GLN A 519 67.904 -1.180 25.282 1.00 0.00 H new ATOM 0 HB3 GLN A 519 67.881 -0.076 26.643 1.00 0.00 H new ATOM 0 HG2 GLN A 519 68.113 1.848 25.263 1.00 0.00 H new ATOM 0 HG3 GLN A 519 68.806 0.938 23.936 1.00 0.00 H new ATOM 0 HE21 GLN A 519 65.727 1.562 25.698 1.00 0.00 H new ATOM 0 HE22 GLN A 519 64.687 1.038 24.370 1.00 0.00 H new ATOM 18 N PRO A 520 70.415 -2.207 24.249 1.00 0.00 N ATOM 19 CA PRO A 520 70.947 -2.761 22.965 1.00 0.00 C ATOM 20 C PRO A 520 70.124 -2.302 21.763 1.00 0.00 C ATOM 21 O PRO A 520 68.912 -2.105 21.869 1.00 0.00 O ATOM 22 CB PRO A 520 70.856 -4.279 23.146 1.00 0.00 C ATOM 23 CG PRO A 520 69.798 -4.494 24.172 1.00 0.00 C ATOM 24 CD PRO A 520 69.832 -3.274 25.088 1.00 0.00 C ATOM 0 HA PRO A 520 71.962 -2.420 22.763 1.00 0.00 H new ATOM 0 HB2 PRO A 520 70.599 -4.771 22.208 1.00 0.00 H new ATOM 0 HB3 PRO A 520 71.810 -4.693 23.473 1.00 0.00 H new ATOM 0 HG2 PRO A 520 68.819 -4.601 23.704 1.00 0.00 H new ATOM 0 HG3 PRO A 520 69.984 -5.408 24.736 1.00 0.00 H new ATOM 0 HD2 PRO A 520 68.833 -3.008 25.434 1.00 0.00 H new ATOM 0 HD3 PRO A 520 70.438 -3.459 25.975 1.00 0.00 H new ATOM 32 N GLY A 521 70.791 -2.134 20.622 1.00 0.00 N ATOM 33 CA GLY A 521 70.116 -1.684 19.408 1.00 0.00 C ATOM 34 C GLY A 521 69.872 -0.179 19.449 1.00 0.00 C ATOM 35 O GLY A 521 68.725 0.272 19.453 1.00 0.00 O ATOM 0 H GLY A 521 71.791 -2.302 20.514 1.00 0.00 H new ATOM 0 HA2 GLY A 521 70.720 -1.935 18.536 1.00 0.00 H new ATOM 0 HA3 GLY A 521 69.166 -2.208 19.299 1.00 0.00 H new ATOM 39 N THR A 522 70.959 0.592 19.482 1.00 0.00 N ATOM 40 CA THR A 522 70.854 2.049 19.538 1.00 0.00 C ATOM 41 C THR A 522 70.696 2.640 18.137 1.00 0.00 C ATOM 42 O THR A 522 70.052 3.677 17.966 1.00 0.00 O ATOM 43 CB THR A 522 72.100 2.639 20.206 1.00 0.00 C ATOM 44 OG1 THR A 522 73.250 2.281 19.456 1.00 0.00 O ATOM 45 CG2 THR A 522 72.226 2.094 21.630 1.00 0.00 C ATOM 0 H THR A 522 71.915 0.235 19.471 1.00 0.00 H new ATOM 0 HA THR A 522 69.971 2.303 20.124 1.00 0.00 H new ATOM 0 HB THR A 522 72.013 3.725 20.243 1.00 0.00 H new ATOM 0 HG1 THR A 522 74.048 2.659 19.881 1.00 0.00 H new ATOM 0 HG21 THR A 522 73.113 2.515 22.104 1.00 0.00 H new ATOM 0 HG22 THR A 522 71.342 2.370 22.205 1.00 0.00 H new ATOM 0 HG23 THR A 522 72.313 1.008 21.598 1.00 0.00 H new ATOM 53 N SER A 523 71.286 1.978 17.142 1.00 0.00 N ATOM 54 CA SER A 523 71.188 2.442 15.760 1.00 0.00 C ATOM 55 C SER A 523 69.991 1.801 15.064 1.00 0.00 C ATOM 56 O SER A 523 69.730 0.609 15.232 1.00 0.00 O ATOM 57 CB SER A 523 72.469 2.093 15.001 1.00 0.00 C ATOM 58 OG SER A 523 72.400 2.638 13.690 1.00 0.00 O ATOM 0 H SER A 523 71.832 1.126 17.266 1.00 0.00 H new ATOM 0 HA SER A 523 71.053 3.524 15.767 1.00 0.00 H new ATOM 0 HB2 SER A 523 73.337 2.490 15.527 1.00 0.00 H new ATOM 0 HB3 SER A 523 72.593 1.011 14.952 1.00 0.00 H new ATOM 0 HG SER A 523 73.220 2.418 13.201 1.00 0.00 H new ATOM 64 N ASN A 524 69.269 2.602 14.280 1.00 0.00 N ATOM 65 CA ASN A 524 68.092 2.112 13.564 1.00 0.00 C ATOM 66 C ASN A 524 68.255 2.317 12.061 1.00 0.00 C ATOM 67 O ASN A 524 69.101 3.099 11.624 1.00 0.00 O ATOM 68 CB ASN A 524 66.842 2.852 14.048 1.00 0.00 C ATOM 69 CG ASN A 524 66.634 2.605 15.539 1.00 0.00 C ATOM 70 OD1 ASN A 524 66.875 1.501 16.026 1.00 0.00 O ATOM 71 ND2 ASN A 524 66.199 3.575 16.295 1.00 0.00 N ATOM 0 H ASN A 524 69.478 3.588 14.125 1.00 0.00 H new ATOM 0 HA ASN A 524 67.985 1.046 13.765 1.00 0.00 H new ATOM 0 HB2 ASN A 524 66.946 3.920 13.859 1.00 0.00 H new ATOM 0 HB3 ASN A 524 65.969 2.513 13.490 1.00 0.00 H new ATOM 0 HD21 ASN A 524 66.058 3.420 17.293 1.00 0.00 H new ATOM 0 HD22 ASN A 524 66.000 4.489 15.888 1.00 0.00 H new ATOM 78 N GLU A 525 67.441 1.605 11.276 1.00 0.00 N ATOM 79 CA GLU A 525 67.486 1.703 9.813 1.00 0.00 C ATOM 80 C GLU A 525 68.825 1.200 9.277 1.00 0.00 C ATOM 81 O GLU A 525 69.886 1.678 9.682 1.00 0.00 O ATOM 82 CB GLU A 525 67.256 3.149 9.356 1.00 0.00 C ATOM 83 CG GLU A 525 65.894 3.635 9.860 1.00 0.00 C ATOM 84 CD GLU A 525 65.595 5.032 9.320 1.00 0.00 C ATOM 85 OE1 GLU A 525 66.525 5.813 9.190 1.00 0.00 O ATOM 86 OE2 GLU A 525 64.437 5.300 9.043 1.00 0.00 O ATOM 0 H GLU A 525 66.741 0.953 11.630 1.00 0.00 H new ATOM 0 HA GLU A 525 66.688 1.077 9.414 1.00 0.00 H new ATOM 0 HB2 GLU A 525 68.048 3.793 9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 525 67.295 3.208 8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 525 65.114 2.942 9.545 1.00 0.00 H new ATOM 0 HG3 GLU A 525 65.886 3.650 10.950 1.00 0.00 H new ATOM 93 N THR A 526 68.763 0.234 8.358 1.00 0.00 N ATOM 94 CA THR A 526 69.973 -0.370 7.803 1.00 0.00 C ATOM 95 C THR A 526 69.720 -0.835 6.364 1.00 0.00 C ATOM 96 O THR A 526 69.272 -1.961 6.139 1.00 0.00 O ATOM 97 CB THR A 526 70.420 -1.565 8.659 1.00 0.00 C ATOM 98 OG1 THR A 526 69.454 -2.603 8.566 1.00 0.00 O ATOM 99 CG2 THR A 526 70.561 -1.136 10.119 1.00 0.00 C ATOM 0 H THR A 526 67.892 -0.144 7.985 1.00 0.00 H new ATOM 0 HA THR A 526 70.763 0.381 7.805 1.00 0.00 H new ATOM 0 HB THR A 526 71.382 -1.924 8.294 1.00 0.00 H new ATOM 0 HG1 THR A 526 68.895 -2.460 7.774 1.00 0.00 H new ATOM 0 HG21 THR A 526 70.878 -1.988 10.720 1.00 0.00 H new ATOM 0 HG22 THR A 526 71.304 -0.342 10.195 1.00 0.00 H new ATOM 0 HG23 THR A 526 69.601 -0.771 10.485 1.00 0.00 H new ATOM 107 N PRO A 527 69.972 0.017 5.388 1.00 0.00 N ATOM 108 CA PRO A 527 69.906 -0.389 3.947 1.00 0.00 C ATOM 109 C PRO A 527 70.834 -1.565 3.637 1.00 0.00 C ATOM 110 O PRO A 527 70.549 -2.379 2.756 1.00 0.00 O ATOM 111 CB PRO A 527 70.341 0.865 3.180 1.00 0.00 C ATOM 112 CG PRO A 527 70.100 2.004 4.110 1.00 0.00 C ATOM 113 CD PRO A 527 70.285 1.455 5.521 1.00 0.00 C ATOM 0 HA PRO A 527 68.908 -0.731 3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 527 71.392 0.806 2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 527 69.768 0.981 2.260 1.00 0.00 H new ATOM 0 HG2 PRO A 527 70.798 2.818 3.916 1.00 0.00 H new ATOM 0 HG3 PRO A 527 69.096 2.407 3.979 1.00 0.00 H new ATOM 0 HD2 PRO A 527 71.302 1.611 5.880 1.00 0.00 H new ATOM 0 HD3 PRO A 527 69.618 1.945 6.231 1.00 0.00 H new ATOM 121 N GLU A 528 71.931 -1.665 4.392 1.00 0.00 N ATOM 122 CA GLU A 528 72.890 -2.756 4.205 1.00 0.00 C ATOM 123 C GLU A 528 72.220 -4.111 4.432 1.00 0.00 C ATOM 124 O GLU A 528 72.517 -5.083 3.735 1.00 0.00 O ATOM 125 CB GLU A 528 74.065 -2.593 5.176 1.00 0.00 C ATOM 126 CG GLU A 528 75.196 -3.545 4.780 1.00 0.00 C ATOM 127 CD GLU A 528 76.326 -3.465 5.800 1.00 0.00 C ATOM 128 OE1 GLU A 528 76.898 -2.395 5.939 1.00 0.00 O ATOM 129 OE2 GLU A 528 76.605 -4.473 6.428 1.00 0.00 O ATOM 0 H GLU A 528 72.176 -1.009 5.133 1.00 0.00 H new ATOM 0 HA GLU A 528 73.258 -2.716 3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 528 74.421 -1.563 5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 528 73.739 -2.803 6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 528 74.819 -4.566 4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 528 75.570 -3.286 3.789 1.00 0.00 H new ATOM 136 N GLU A 529 71.278 -4.157 5.375 1.00 0.00 N ATOM 137 CA GLU A 529 70.596 -5.407 5.699 1.00 0.00 C ATOM 138 C GLU A 529 69.725 -5.857 4.530 1.00 0.00 C ATOM 139 O GLU A 529 69.709 -7.036 4.175 1.00 0.00 O ATOM 140 CB GLU A 529 69.725 -5.220 6.943 1.00 0.00 C ATOM 141 CG GLU A 529 69.380 -6.589 7.535 1.00 0.00 C ATOM 142 CD GLU A 529 68.409 -6.422 8.700 1.00 0.00 C ATOM 143 OE1 GLU A 529 68.789 -5.799 9.678 1.00 0.00 O ATOM 144 OE2 GLU A 529 67.300 -6.919 8.597 1.00 0.00 O ATOM 0 H GLU A 529 70.973 -3.352 5.922 1.00 0.00 H new ATOM 0 HA GLU A 529 71.349 -6.171 5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 529 70.252 -4.615 7.681 1.00 0.00 H new ATOM 0 HB3 GLU A 529 68.812 -4.684 6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 529 68.936 -7.225 6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 529 70.288 -7.087 7.876 1.00 0.00 H new ATOM 151 N THR A 530 69.028 -4.902 3.909 1.00 0.00 N ATOM 152 CA THR A 530 68.145 -5.209 2.783 1.00 0.00 C ATOM 153 C THR A 530 68.925 -5.845 1.634 1.00 0.00 C ATOM 154 O THR A 530 68.509 -6.865 1.083 1.00 0.00 O ATOM 155 CB THR A 530 67.465 -3.930 2.286 1.00 0.00 C ATOM 156 OG1 THR A 530 66.997 -3.183 3.400 1.00 0.00 O ATOM 157 CG2 THR A 530 66.286 -4.292 1.381 1.00 0.00 C ATOM 0 H THR A 530 69.058 -3.915 4.166 1.00 0.00 H new ATOM 0 HA THR A 530 67.391 -5.916 3.129 1.00 0.00 H new ATOM 0 HB THR A 530 68.182 -3.334 1.721 1.00 0.00 H new ATOM 0 HG1 THR A 530 66.563 -2.363 3.085 1.00 0.00 H new ATOM 0 HG21 THR A 530 65.804 -3.380 1.029 1.00 0.00 H new ATOM 0 HG22 THR A 530 66.646 -4.865 0.527 1.00 0.00 H new ATOM 0 HG23 THR A 530 65.567 -4.889 1.942 1.00 0.00 H new ATOM 165 N TYR A 531 70.074 -5.256 1.299 1.00 0.00 N ATOM 166 CA TYR A 531 70.901 -5.767 0.207 1.00 0.00 C ATOM 167 C TYR A 531 71.328 -7.213 0.463 1.00 0.00 C ATOM 168 O TYR A 531 71.144 -8.076 -0.392 1.00 0.00 O ATOM 169 CB TYR A 531 72.145 -4.893 0.033 1.00 0.00 C ATOM 170 CG TYR A 531 71.836 -3.481 -0.410 1.00 0.00 C ATOM 171 CD1 TYR A 531 71.042 -3.256 -1.561 1.00 0.00 C ATOM 172 CD2 TYR A 531 72.344 -2.382 0.325 1.00 0.00 C ATOM 173 CE1 TYR A 531 70.756 -1.932 -1.975 1.00 0.00 C ATOM 174 CE2 TYR A 531 72.056 -1.058 -0.089 1.00 0.00 C ATOM 175 CZ TYR A 531 71.262 -0.834 -1.239 1.00 0.00 C ATOM 176 OH TYR A 531 70.982 0.456 -1.644 1.00 0.00 O ATOM 0 H TYR A 531 70.450 -4.430 1.765 1.00 0.00 H new ATOM 0 HA TYR A 531 70.302 -5.739 -0.703 1.00 0.00 H new ATOM 0 HB2 TYR A 531 72.689 -4.858 0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 531 72.806 -5.358 -0.699 1.00 0.00 H new ATOM 0 HD1 TYR A 531 70.655 -4.093 -2.123 1.00 0.00 H new ATOM 0 HD2 TYR A 531 72.951 -2.553 1.202 1.00 0.00 H new ATOM 0 HE1 TYR A 531 70.151 -1.760 -2.853 1.00 0.00 H new ATOM 0 HE2 TYR A 531 72.442 -0.220 0.473 1.00 0.00 H new ATOM 0 HH TYR A 531 71.404 1.091 -1.028 1.00 0.00 H new ATOM 186 N GLN A 532 71.851 -7.485 1.661 1.00 0.00 N ATOM 187 CA GLN A 532 72.341 -8.829 1.992 1.00 0.00 C ATOM 188 C GLN A 532 71.240 -9.880 1.823 1.00 0.00 C ATOM 189 O GLN A 532 71.453 -10.920 1.190 1.00 0.00 O ATOM 190 CB GLN A 532 72.860 -8.860 3.431 1.00 0.00 C ATOM 191 CG GLN A 532 74.111 -7.985 3.543 1.00 0.00 C ATOM 192 CD GLN A 532 74.613 -7.974 4.983 1.00 0.00 C ATOM 193 OE1 GLN A 532 73.816 -7.987 5.922 1.00 0.00 O ATOM 194 NE2 GLN A 532 75.897 -7.950 5.216 1.00 0.00 N ATOM 0 H GLN A 532 71.946 -6.802 2.412 1.00 0.00 H new ATOM 0 HA GLN A 532 73.153 -9.066 1.304 1.00 0.00 H new ATOM 0 HB2 GLN A 532 72.090 -8.501 4.114 1.00 0.00 H new ATOM 0 HB3 GLN A 532 73.093 -9.884 3.723 1.00 0.00 H new ATOM 0 HG2 GLN A 532 74.890 -8.363 2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 532 73.884 -6.969 3.221 1.00 0.00 H new ATOM 0 HE21 GLN A 532 76.556 -7.939 4.438 1.00 0.00 H new ATOM 0 HE22 GLN A 532 76.241 -7.942 6.176 1.00 0.00 H new ATOM 203 N ARG A 533 70.041 -9.576 2.324 1.00 0.00 N ATOM 204 CA ARG A 533 68.920 -10.513 2.224 1.00 0.00 C ATOM 205 C ARG A 533 68.627 -10.830 0.758 1.00 0.00 C ATOM 206 O ARG A 533 68.630 -11.994 0.355 1.00 0.00 O ATOM 207 CB ARG A 533 67.673 -9.914 2.882 1.00 0.00 C ATOM 208 CG ARG A 533 66.605 -10.999 3.044 1.00 0.00 C ATOM 209 CD ARG A 533 65.353 -10.393 3.679 1.00 0.00 C ATOM 210 NE ARG A 533 64.377 -11.442 3.975 1.00 0.00 N ATOM 211 CZ ARG A 533 64.522 -12.289 5.005 1.00 0.00 C ATOM 212 NH1 ARG A 533 65.562 -12.220 5.803 1.00 0.00 N ATOM 213 NH2 ARG A 533 63.613 -13.200 5.217 1.00 0.00 N ATOM 0 H ARG A 533 69.822 -8.699 2.798 1.00 0.00 H new ATOM 0 HA ARG A 533 69.189 -11.434 2.740 1.00 0.00 H new ATOM 0 HB2 ARG A 533 67.929 -9.494 3.855 1.00 0.00 H new ATOM 0 HB3 ARG A 533 67.286 -9.097 2.274 1.00 0.00 H new ATOM 0 HG2 ARG A 533 66.361 -11.431 2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 533 66.986 -11.809 3.667 1.00 0.00 H new ATOM 0 HD2 ARG A 533 65.620 -9.866 4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 533 64.914 -9.658 3.005 1.00 0.00 H new ATOM 0 HE ARG A 533 63.556 -11.533 3.376 1.00 0.00 H new ATOM 0 HH11 ARG A 533 66.280 -11.512 5.646 1.00 0.00 H new ATOM 0 HH12 ARG A 533 65.653 -12.874 6.580 1.00 0.00 H new ATOM 0 HH21 ARG A 533 62.801 -13.263 4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 533 63.714 -13.849 5.997 1.00 0.00 H new ATOM 227 N ALA A 534 68.526 -9.781 -0.056 1.00 0.00 N ATOM 228 CA ALA A 534 68.246 -9.943 -1.485 1.00 0.00 C ATOM 229 C ALA A 534 69.352 -10.749 -2.174 1.00 0.00 C ATOM 230 O ALA A 534 69.081 -11.547 -3.071 1.00 0.00 O ATOM 231 CB ALA A 534 68.138 -8.567 -2.148 1.00 0.00 C ATOM 0 H ALA A 534 68.633 -8.813 0.246 1.00 0.00 H new ATOM 0 HA ALA A 534 67.305 -10.483 -1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 534 67.930 -8.691 -3.211 1.00 0.00 H new ATOM 0 HB2 ALA A 534 67.330 -8.002 -1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 534 69.077 -8.028 -2.023 1.00 0.00 H new ATOM 237 N MET A 535 70.591 -10.550 -1.723 1.00 0.00 N ATOM 238 CA MET A 535 71.746 -11.201 -2.340 1.00 0.00 C ATOM 239 C MET A 535 71.665 -12.723 -2.206 1.00 0.00 C ATOM 240 O MET A 535 72.168 -13.451 -3.062 1.00 0.00 O ATOM 241 CB MET A 535 73.043 -10.698 -1.699 1.00 0.00 C ATOM 242 CG MET A 535 73.345 -9.283 -2.197 1.00 0.00 C ATOM 243 SD MET A 535 73.912 -9.352 -3.916 1.00 0.00 S ATOM 244 CE MET A 535 72.428 -8.645 -4.675 1.00 0.00 C ATOM 0 H MET A 535 70.820 -9.945 -0.935 1.00 0.00 H new ATOM 0 HA MET A 535 71.741 -10.948 -3.400 1.00 0.00 H new ATOM 0 HB2 MET A 535 72.949 -10.700 -0.613 1.00 0.00 H new ATOM 0 HB3 MET A 535 73.867 -11.366 -1.949 1.00 0.00 H new ATOM 0 HG2 MET A 535 72.452 -8.662 -2.123 1.00 0.00 H new ATOM 0 HG3 MET A 535 74.108 -8.821 -1.570 1.00 0.00 H new ATOM 0 HE1 MET A 535 72.469 -8.787 -5.755 1.00 0.00 H new ATOM 0 HE2 MET A 535 71.544 -9.142 -4.276 1.00 0.00 H new ATOM 0 HE3 MET A 535 72.377 -7.579 -4.451 1.00 0.00 H new ATOM 254 N LYS A 536 71.036 -13.196 -1.129 1.00 0.00 N ATOM 255 CA LYS A 536 70.831 -14.631 -0.948 1.00 0.00 C ATOM 256 C LYS A 536 69.780 -15.160 -1.928 1.00 0.00 C ATOM 257 O LYS A 536 69.753 -16.354 -2.231 1.00 0.00 O ATOM 258 CB LYS A 536 70.400 -14.927 0.490 1.00 0.00 C ATOM 259 CG LYS A 536 71.529 -14.546 1.449 1.00 0.00 C ATOM 260 CD LYS A 536 71.144 -14.946 2.876 1.00 0.00 C ATOM 261 CE LYS A 536 72.219 -14.458 3.849 1.00 0.00 C ATOM 262 NZ LYS A 536 71.695 -14.527 5.243 1.00 0.00 N ATOM 0 H LYS A 536 70.664 -12.614 -0.378 1.00 0.00 H new ATOM 0 HA LYS A 536 71.775 -15.137 -1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 536 69.497 -14.367 0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 536 70.158 -15.984 0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 536 72.453 -15.045 1.157 1.00 0.00 H new ATOM 0 HG3 LYS A 536 71.717 -13.473 1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 536 70.178 -14.515 3.138 1.00 0.00 H new ATOM 0 HD3 LYS A 536 71.039 -16.029 2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 536 73.115 -15.071 3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 536 72.506 -13.435 3.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 536 72.425 -14.195 5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 536 70.852 -13.924 5.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 536 71.442 -15.510 5.471 1.00 0.00 H new ATOM 276 N ASP A 537 68.917 -14.268 -2.416 1.00 0.00 N ATOM 277 CA ASP A 537 67.938 -14.636 -3.434 1.00 0.00 C ATOM 278 C ASP A 537 68.588 -14.621 -4.826 1.00 0.00 C ATOM 279 O ASP A 537 68.929 -13.551 -5.333 1.00 0.00 O ATOM 280 CB ASP A 537 66.765 -13.647 -3.406 1.00 0.00 C ATOM 281 CG ASP A 537 65.608 -14.148 -4.275 1.00 0.00 C ATOM 282 OD1 ASP A 537 65.797 -15.111 -5.004 1.00 0.00 O ATOM 283 OD2 ASP A 537 64.544 -13.557 -4.197 1.00 0.00 O ATOM 0 H ASP A 537 68.877 -13.292 -2.124 1.00 0.00 H new ATOM 0 HA ASP A 537 67.573 -15.641 -3.223 1.00 0.00 H new ATOM 0 HB2 ASP A 537 66.423 -13.512 -2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 537 67.097 -12.672 -3.762 1.00 0.00 H new ATOM 288 N PRO A 538 68.762 -15.771 -5.454 1.00 0.00 N ATOM 289 CA PRO A 538 69.544 -15.862 -6.732 1.00 0.00 C ATOM 290 C PRO A 538 68.984 -14.959 -7.832 1.00 0.00 C ATOM 291 O PRO A 538 69.734 -14.462 -8.674 1.00 0.00 O ATOM 292 CB PRO A 538 69.444 -17.339 -7.140 1.00 0.00 C ATOM 293 CG PRO A 538 69.042 -18.073 -5.908 1.00 0.00 C ATOM 294 CD PRO A 538 68.233 -17.092 -5.068 1.00 0.00 C ATOM 0 HA PRO A 538 70.571 -15.527 -6.588 1.00 0.00 H new ATOM 0 HB2 PRO A 538 68.710 -17.477 -7.934 1.00 0.00 H new ATOM 0 HB3 PRO A 538 70.398 -17.705 -7.520 1.00 0.00 H new ATOM 0 HG2 PRO A 538 68.449 -18.953 -6.156 1.00 0.00 H new ATOM 0 HG3 PRO A 538 69.918 -18.423 -5.361 1.00 0.00 H new ATOM 0 HD2 PRO A 538 67.166 -17.172 -5.278 1.00 0.00 H new ATOM 0 HD3 PRO A 538 68.363 -17.278 -4.002 1.00 0.00 H new ATOM 302 N GLU A 539 67.673 -14.709 -7.792 1.00 0.00 N ATOM 303 CA GLU A 539 67.035 -13.883 -8.815 1.00 0.00 C ATOM 304 C GLU A 539 67.524 -12.440 -8.712 1.00 0.00 C ATOM 305 O GLU A 539 67.767 -11.785 -9.724 1.00 0.00 O ATOM 306 CB GLU A 539 65.512 -13.923 -8.660 1.00 0.00 C ATOM 307 CG GLU A 539 65.020 -15.365 -8.804 1.00 0.00 C ATOM 308 CD GLU A 539 63.495 -15.408 -8.746 1.00 0.00 C ATOM 309 OE1 GLU A 539 62.872 -14.534 -9.327 1.00 0.00 O ATOM 310 OE2 GLU A 539 62.972 -16.317 -8.121 1.00 0.00 O ATOM 0 H GLU A 539 67.042 -15.062 -7.073 1.00 0.00 H new ATOM 0 HA GLU A 539 67.303 -14.281 -9.794 1.00 0.00 H new ATOM 0 HB2 GLU A 539 65.225 -13.525 -7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 539 65.043 -13.291 -9.414 1.00 0.00 H new ATOM 0 HG2 GLU A 539 65.368 -15.783 -9.749 1.00 0.00 H new ATOM 0 HG3 GLU A 539 65.439 -15.982 -8.009 1.00 0.00 H new ATOM 317 N VAL A 540 67.761 -11.986 -7.482 1.00 0.00 N ATOM 318 CA VAL A 540 68.243 -10.624 -7.254 1.00 0.00 C ATOM 319 C VAL A 540 69.644 -10.462 -7.844 1.00 0.00 C ATOM 320 O VAL A 540 69.912 -9.512 -8.580 1.00 0.00 O ATOM 321 CB VAL A 540 68.274 -10.331 -5.747 1.00 0.00 C ATOM 322 CG1 VAL A 540 68.711 -8.883 -5.492 1.00 0.00 C ATOM 323 CG2 VAL A 540 66.878 -10.550 -5.152 1.00 0.00 C ATOM 0 H VAL A 540 67.628 -12.536 -6.634 1.00 0.00 H new ATOM 0 HA VAL A 540 67.569 -9.920 -7.742 1.00 0.00 H new ATOM 0 HB VAL A 540 68.988 -11.006 -5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 540 68.728 -8.692 -4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 540 69.708 -8.726 -5.904 1.00 0.00 H new ATOM 0 HG13 VAL A 540 68.008 -8.201 -5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 540 66.902 -10.342 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 540 66.167 -9.881 -5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 540 66.572 -11.583 -5.314 1.00 0.00 H new ATOM 333 N ALA A 541 70.522 -11.415 -7.541 1.00 0.00 N ATOM 334 CA ALA A 541 71.920 -11.329 -7.964 1.00 0.00 C ATOM 335 C ALA A 541 72.018 -11.228 -9.486 1.00 0.00 C ATOM 336 O ALA A 541 72.706 -10.358 -10.026 1.00 0.00 O ATOM 337 CB ALA A 541 72.678 -12.572 -7.483 1.00 0.00 C ATOM 0 H ALA A 541 70.293 -12.253 -7.006 1.00 0.00 H new ATOM 0 HA ALA A 541 72.362 -10.434 -7.526 1.00 0.00 H new ATOM 0 HB1 ALA A 541 73.719 -12.508 -7.798 1.00 0.00 H new ATOM 0 HB2 ALA A 541 72.631 -12.629 -6.395 1.00 0.00 H new ATOM 0 HB3 ALA A 541 72.223 -13.464 -7.913 1.00 0.00 H new ATOM 343 N ALA A 542 71.268 -12.089 -10.168 1.00 0.00 N ATOM 344 CA ALA A 542 71.346 -12.182 -11.627 1.00 0.00 C ATOM 345 C ALA A 542 70.919 -10.875 -12.293 1.00 0.00 C ATOM 346 O ALA A 542 71.570 -10.408 -13.229 1.00 0.00 O ATOM 347 CB ALA A 542 70.456 -13.322 -12.127 1.00 0.00 C ATOM 0 H ALA A 542 70.601 -12.731 -9.738 1.00 0.00 H new ATOM 0 HA ALA A 542 72.384 -12.380 -11.893 1.00 0.00 H new ATOM 0 HB1 ALA A 542 70.520 -13.384 -13.213 1.00 0.00 H new ATOM 0 HB2 ALA A 542 70.790 -14.263 -11.690 1.00 0.00 H new ATOM 0 HB3 ALA A 542 69.423 -13.132 -11.835 1.00 0.00 H new ATOM 353 N ILE A 543 69.825 -10.291 -11.806 1.00 0.00 N ATOM 354 CA ILE A 543 69.281 -9.076 -12.413 1.00 0.00 C ATOM 355 C ILE A 543 70.226 -7.888 -12.199 1.00 0.00 C ATOM 356 O ILE A 543 70.402 -7.064 -13.098 1.00 0.00 O ATOM 357 CB ILE A 543 67.894 -8.775 -11.818 1.00 0.00 C ATOM 358 CG1 ILE A 543 66.975 -9.982 -12.043 1.00 0.00 C ATOM 359 CG2 ILE A 543 67.288 -7.552 -12.518 1.00 0.00 C ATOM 360 CD1 ILE A 543 65.679 -9.810 -11.244 1.00 0.00 C ATOM 0 H ILE A 543 69.302 -10.635 -11.001 1.00 0.00 H new ATOM 0 HA ILE A 543 69.182 -9.236 -13.487 1.00 0.00 H new ATOM 0 HB ILE A 543 67.994 -8.575 -10.751 1.00 0.00 H new ATOM 0 HG12 ILE A 543 66.747 -10.083 -13.104 1.00 0.00 H new ATOM 0 HG13 ILE A 543 67.482 -10.897 -11.737 1.00 0.00 H new ATOM 0 HG21 ILE A 543 66.306 -7.340 -12.095 1.00 0.00 H new ATOM 0 HG22 ILE A 543 67.939 -6.690 -12.373 1.00 0.00 H new ATOM 0 HG23 ILE A 543 67.188 -7.755 -13.584 1.00 0.00 H new ATOM 0 HD11 ILE A 543 65.032 -10.672 -11.410 1.00 0.00 H new ATOM 0 HD12 ILE A 543 65.914 -9.731 -10.182 1.00 0.00 H new ATOM 0 HD13 ILE A 543 65.168 -8.904 -11.571 1.00 0.00 H new ATOM 372 N MET A 544 70.830 -7.802 -11.011 1.00 0.00 N ATOM 373 CA MET A 544 71.740 -6.694 -10.698 1.00 0.00 C ATOM 374 C MET A 544 72.938 -6.681 -11.648 1.00 0.00 C ATOM 375 O MET A 544 73.456 -5.617 -11.990 1.00 0.00 O ATOM 376 CB MET A 544 72.237 -6.805 -9.256 1.00 0.00 C ATOM 377 CG MET A 544 71.171 -6.268 -8.303 1.00 0.00 C ATOM 378 SD MET A 544 71.871 -6.126 -6.641 1.00 0.00 S ATOM 379 CE MET A 544 70.868 -4.726 -6.084 1.00 0.00 C ATOM 0 H MET A 544 70.708 -8.478 -10.257 1.00 0.00 H new ATOM 0 HA MET A 544 71.185 -5.764 -10.821 1.00 0.00 H new ATOM 0 HB2 MET A 544 72.462 -7.845 -9.017 1.00 0.00 H new ATOM 0 HB3 MET A 544 73.163 -6.243 -9.136 1.00 0.00 H new ATOM 0 HG2 MET A 544 70.818 -5.295 -8.645 1.00 0.00 H new ATOM 0 HG3 MET A 544 70.309 -6.934 -8.291 1.00 0.00 H new ATOM 0 HE1 MET A 544 70.840 -4.709 -4.994 1.00 0.00 H new ATOM 0 HE2 MET A 544 71.305 -3.797 -6.451 1.00 0.00 H new ATOM 0 HE3 MET A 544 69.854 -4.828 -6.471 1.00 0.00 H new ATOM 389 N GLN A 545 73.371 -7.870 -12.064 1.00 0.00 N ATOM 390 CA GLN A 545 74.454 -7.984 -13.042 1.00 0.00 C ATOM 391 C GLN A 545 73.950 -7.836 -14.486 1.00 0.00 C ATOM 392 O GLN A 545 74.724 -7.992 -15.431 1.00 0.00 O ATOM 393 CB GLN A 545 75.145 -9.336 -12.887 1.00 0.00 C ATOM 394 CG GLN A 545 76.202 -9.252 -11.784 1.00 0.00 C ATOM 395 CD GLN A 545 76.937 -10.582 -11.664 1.00 0.00 C ATOM 396 OE1 GLN A 545 77.871 -10.847 -12.421 1.00 0.00 O ATOM 397 NE2 GLN A 545 76.571 -11.440 -10.750 1.00 0.00 N ATOM 0 H GLN A 545 72.993 -8.761 -11.743 1.00 0.00 H new ATOM 0 HA GLN A 545 75.155 -7.173 -12.848 1.00 0.00 H new ATOM 0 HB2 GLN A 545 74.411 -10.104 -12.643 1.00 0.00 H new ATOM 0 HB3 GLN A 545 75.610 -9.627 -13.829 1.00 0.00 H new ATOM 0 HG2 GLN A 545 76.910 -8.454 -12.008 1.00 0.00 H new ATOM 0 HG3 GLN A 545 75.729 -9.001 -10.834 1.00 0.00 H new ATOM 0 HE21 GLN A 545 75.797 -11.219 -10.124 1.00 0.00 H new ATOM 0 HE22 GLN A 545 77.059 -12.331 -10.662 1.00 0.00 H new ATOM 406 N ASP A 546 72.663 -7.537 -14.652 1.00 0.00 N ATOM 407 CA ASP A 546 72.080 -7.362 -15.981 1.00 0.00 C ATOM 408 C ASP A 546 71.831 -5.867 -16.244 1.00 0.00 C ATOM 409 O ASP A 546 71.184 -5.196 -15.438 1.00 0.00 O ATOM 410 CB ASP A 546 70.751 -8.135 -16.049 1.00 0.00 C ATOM 411 CG ASP A 546 70.461 -8.635 -17.468 1.00 0.00 C ATOM 412 OD1 ASP A 546 71.340 -8.555 -18.309 1.00 0.00 O ATOM 413 OD2 ASP A 546 69.354 -9.098 -17.688 1.00 0.00 O ATOM 0 H ASP A 546 72.004 -7.411 -13.883 1.00 0.00 H new ATOM 0 HA ASP A 546 72.764 -7.744 -16.739 1.00 0.00 H new ATOM 0 HB2 ASP A 546 70.787 -8.982 -15.364 1.00 0.00 H new ATOM 0 HB3 ASP A 546 69.937 -7.491 -15.716 1.00 0.00 H new ATOM 418 N PRO A 547 72.319 -5.335 -17.347 1.00 0.00 N ATOM 419 CA PRO A 547 72.455 -3.853 -17.524 1.00 0.00 C ATOM 420 C PRO A 547 71.113 -3.135 -17.723 1.00 0.00 C ATOM 421 O PRO A 547 71.040 -1.907 -17.630 1.00 0.00 O ATOM 422 CB PRO A 547 73.339 -3.722 -18.760 1.00 0.00 C ATOM 423 CG PRO A 547 73.035 -4.924 -19.582 1.00 0.00 C ATOM 424 CD PRO A 547 72.642 -6.038 -18.608 1.00 0.00 C ATOM 0 HA PRO A 547 72.872 -3.382 -16.634 1.00 0.00 H new ATOM 0 HB2 PRO A 547 73.119 -2.805 -19.306 1.00 0.00 H new ATOM 0 HB3 PRO A 547 74.394 -3.686 -18.488 1.00 0.00 H new ATOM 0 HG2 PRO A 547 72.225 -4.719 -20.282 1.00 0.00 H new ATOM 0 HG3 PRO A 547 73.902 -5.217 -20.175 1.00 0.00 H new ATOM 0 HD2 PRO A 547 71.786 -6.603 -18.977 1.00 0.00 H new ATOM 0 HD3 PRO A 547 73.457 -6.748 -18.468 1.00 0.00 H new ATOM 432 N VAL A 548 70.049 -3.901 -17.992 1.00 0.00 N ATOM 433 CA VAL A 548 68.770 -3.315 -18.412 1.00 0.00 C ATOM 434 C VAL A 548 68.279 -2.279 -17.396 1.00 0.00 C ATOM 435 O VAL A 548 67.931 -1.159 -17.765 1.00 0.00 O ATOM 436 CB VAL A 548 67.721 -4.434 -18.583 1.00 0.00 C ATOM 437 CG1 VAL A 548 66.323 -3.842 -18.825 1.00 0.00 C ATOM 438 CG2 VAL A 548 68.111 -5.308 -19.776 1.00 0.00 C ATOM 0 H VAL A 548 70.047 -4.919 -17.927 1.00 0.00 H new ATOM 0 HA VAL A 548 68.917 -2.806 -19.365 1.00 0.00 H new ATOM 0 HB VAL A 548 67.693 -5.029 -17.670 1.00 0.00 H new ATOM 0 HG11 VAL A 548 65.601 -4.650 -18.942 1.00 0.00 H new ATOM 0 HG12 VAL A 548 66.038 -3.222 -17.975 1.00 0.00 H new ATOM 0 HG13 VAL A 548 66.337 -3.234 -19.729 1.00 0.00 H new ATOM 0 HG21 VAL A 548 67.374 -6.101 -19.903 1.00 0.00 H new ATOM 0 HG22 VAL A 548 68.146 -4.698 -20.678 1.00 0.00 H new ATOM 0 HG23 VAL A 548 69.092 -5.749 -19.599 1.00 0.00 H new ATOM 448 N MET A 549 68.314 -2.634 -16.117 1.00 0.00 N ATOM 449 CA MET A 549 67.681 -1.809 -15.091 1.00 0.00 C ATOM 450 C MET A 549 68.351 -0.445 -14.979 1.00 0.00 C ATOM 451 O MET A 549 67.677 0.566 -14.779 1.00 0.00 O ATOM 452 CB MET A 549 67.724 -2.518 -13.743 1.00 0.00 C ATOM 453 CG MET A 549 66.838 -3.757 -13.809 1.00 0.00 C ATOM 454 SD MET A 549 66.649 -4.434 -12.148 1.00 0.00 S ATOM 455 CE MET A 549 64.944 -3.906 -11.871 1.00 0.00 C ATOM 0 H MET A 549 68.768 -3.477 -15.767 1.00 0.00 H new ATOM 0 HA MET A 549 66.643 -1.654 -15.386 1.00 0.00 H new ATOM 0 HB2 MET A 549 68.748 -2.799 -13.497 1.00 0.00 H new ATOM 0 HB3 MET A 549 67.379 -1.849 -12.954 1.00 0.00 H new ATOM 0 HG2 MET A 549 65.863 -3.501 -14.224 1.00 0.00 H new ATOM 0 HG3 MET A 549 67.281 -4.501 -14.471 1.00 0.00 H new ATOM 0 HE1 MET A 549 64.620 -4.228 -10.882 1.00 0.00 H new ATOM 0 HE2 MET A 549 64.884 -2.820 -11.937 1.00 0.00 H new ATOM 0 HE3 MET A 549 64.298 -4.351 -12.628 1.00 0.00 H new ATOM 465 N GLN A 550 69.675 -0.410 -15.134 1.00 0.00 N ATOM 466 CA GLN A 550 70.401 0.862 -15.141 1.00 0.00 C ATOM 467 C GLN A 550 69.886 1.758 -16.266 1.00 0.00 C ATOM 468 O GLN A 550 69.663 2.955 -16.073 1.00 0.00 O ATOM 469 CB GLN A 550 71.900 0.613 -15.334 1.00 0.00 C ATOM 470 CG GLN A 550 72.441 -0.217 -14.167 1.00 0.00 C ATOM 471 CD GLN A 550 72.466 0.624 -12.893 1.00 0.00 C ATOM 472 OE1 GLN A 550 72.889 1.780 -12.919 1.00 0.00 O ATOM 473 NE2 GLN A 550 72.035 0.109 -11.775 1.00 0.00 N ATOM 0 H GLN A 550 70.261 -1.236 -15.255 1.00 0.00 H new ATOM 0 HA GLN A 550 70.238 1.358 -14.184 1.00 0.00 H new ATOM 0 HB2 GLN A 550 72.073 0.091 -16.275 1.00 0.00 H new ATOM 0 HB3 GLN A 550 72.431 1.563 -15.394 1.00 0.00 H new ATOM 0 HG2 GLN A 550 71.818 -1.099 -14.018 1.00 0.00 H new ATOM 0 HG3 GLN A 550 73.445 -0.572 -14.398 1.00 0.00 H new ATOM 0 HE21 GLN A 550 71.685 -0.849 -11.756 1.00 0.00 H new ATOM 0 HE22 GLN A 550 72.048 0.664 -10.919 1.00 0.00 H new ATOM 482 N SER A 551 69.655 1.152 -17.431 1.00 0.00 N ATOM 483 CA SER A 551 69.108 1.879 -18.578 1.00 0.00 C ATOM 484 C SER A 551 67.726 2.460 -18.269 1.00 0.00 C ATOM 485 O SER A 551 67.440 3.599 -18.631 1.00 0.00 O ATOM 486 CB SER A 551 69.016 0.954 -19.792 1.00 0.00 C ATOM 487 OG SER A 551 68.643 1.714 -20.933 1.00 0.00 O ATOM 0 H SER A 551 69.837 0.164 -17.606 1.00 0.00 H new ATOM 0 HA SER A 551 69.783 2.706 -18.797 1.00 0.00 H new ATOM 0 HB2 SER A 551 69.974 0.464 -19.964 1.00 0.00 H new ATOM 0 HB3 SER A 551 68.284 0.167 -19.610 1.00 0.00 H new ATOM 0 HG SER A 551 68.584 1.125 -21.714 1.00 0.00 H new ATOM 493 N ILE A 552 66.881 1.691 -17.575 1.00 0.00 N ATOM 494 CA ILE A 552 65.515 2.142 -17.276 1.00 0.00 C ATOM 495 C ILE A 552 65.545 3.397 -16.403 1.00 0.00 C ATOM 496 O ILE A 552 64.852 4.373 -16.685 1.00 0.00 O ATOM 497 CB ILE A 552 64.721 1.035 -16.556 1.00 0.00 C ATOM 498 CG1 ILE A 552 64.797 -0.271 -17.360 1.00 0.00 C ATOM 499 CG2 ILE A 552 63.248 1.457 -16.427 1.00 0.00 C ATOM 500 CD1 ILE A 552 64.225 -1.425 -16.531 1.00 0.00 C ATOM 0 H ILE A 552 67.112 0.766 -17.213 1.00 0.00 H new ATOM 0 HA ILE A 552 65.024 2.374 -18.221 1.00 0.00 H new ATOM 0 HB ILE A 552 65.150 0.880 -15.566 1.00 0.00 H new ATOM 0 HG12 ILE A 552 64.239 -0.169 -18.291 1.00 0.00 H new ATOM 0 HG13 ILE A 552 65.832 -0.483 -17.630 1.00 0.00 H new ATOM 0 HG21 ILE A 552 62.688 0.673 -15.918 1.00 0.00 H new ATOM 0 HG22 ILE A 552 63.183 2.381 -15.852 1.00 0.00 H new ATOM 0 HG23 ILE A 552 62.827 1.617 -17.420 1.00 0.00 H new ATOM 0 HD11 ILE A 552 64.281 -2.349 -17.106 1.00 0.00 H new ATOM 0 HD12 ILE A 552 64.801 -1.534 -15.612 1.00 0.00 H new ATOM 0 HD13 ILE A 552 63.185 -1.215 -16.284 1.00 0.00 H new ATOM 512 N LEU A 553 66.364 3.369 -15.352 1.00 0.00 N ATOM 513 CA LEU A 553 66.468 4.508 -14.431 1.00 0.00 C ATOM 514 C LEU A 553 66.873 5.781 -15.174 1.00 0.00 C ATOM 515 O LEU A 553 66.228 6.824 -15.036 1.00 0.00 O ATOM 516 CB LEU A 553 67.496 4.207 -13.335 1.00 0.00 C ATOM 517 CG LEU A 553 67.026 3.013 -12.501 1.00 0.00 C ATOM 518 CD1 LEU A 553 68.158 2.560 -11.578 1.00 0.00 C ATOM 519 CD2 LEU A 553 65.817 3.423 -11.655 1.00 0.00 C ATOM 0 H LEU A 553 66.962 2.578 -15.115 1.00 0.00 H new ATOM 0 HA LEU A 553 65.488 4.666 -13.980 1.00 0.00 H new ATOM 0 HB2 LEU A 553 68.466 3.991 -13.782 1.00 0.00 H new ATOM 0 HB3 LEU A 553 67.627 5.080 -12.696 1.00 0.00 H new ATOM 0 HG LEU A 553 66.746 2.196 -13.165 1.00 0.00 H new ATOM 0 HD11 LEU A 553 67.824 1.710 -10.983 1.00 0.00 H new ATOM 0 HD12 LEU A 553 69.021 2.268 -12.177 1.00 0.00 H new ATOM 0 HD13 LEU A 553 68.437 3.379 -10.915 1.00 0.00 H new ATOM 0 HD21 LEU A 553 65.483 2.572 -11.061 1.00 0.00 H new ATOM 0 HD22 LEU A 553 66.098 4.241 -10.991 1.00 0.00 H new ATOM 0 HD23 LEU A 553 65.008 3.749 -12.310 1.00 0.00 H new ATOM 531 N GLN A 554 67.906 5.677 -16.012 1.00 0.00 N ATOM 532 CA GLN A 554 68.367 6.828 -16.792 1.00 0.00 C ATOM 533 C GLN A 554 67.234 7.383 -17.657 1.00 0.00 C ATOM 534 O GLN A 554 66.882 8.559 -17.554 1.00 0.00 O ATOM 535 CB GLN A 554 69.540 6.419 -17.687 1.00 0.00 C ATOM 536 CG GLN A 554 70.724 5.995 -16.815 1.00 0.00 C ATOM 537 CD GLN A 554 71.886 5.540 -17.694 1.00 0.00 C ATOM 538 OE1 GLN A 554 71.672 4.957 -18.757 1.00 0.00 O ATOM 539 NE2 GLN A 554 73.111 5.775 -17.310 1.00 0.00 N ATOM 0 H GLN A 554 68.434 4.818 -16.167 1.00 0.00 H new ATOM 0 HA GLN A 554 68.692 7.603 -16.098 1.00 0.00 H new ATOM 0 HB2 GLN A 554 69.244 5.598 -18.340 1.00 0.00 H new ATOM 0 HB3 GLN A 554 69.828 7.251 -18.330 1.00 0.00 H new ATOM 0 HG2 GLN A 554 71.038 6.827 -16.185 1.00 0.00 H new ATOM 0 HG3 GLN A 554 70.424 5.187 -16.148 1.00 0.00 H new ATOM 0 HE21 GLN A 554 73.285 6.258 -16.429 1.00 0.00 H new ATOM 0 HE22 GLN A 554 73.894 5.475 -17.891 1.00 0.00 H new ATOM 548 N GLN A 555 66.568 6.495 -18.393 1.00 0.00 N ATOM 549 CA GLN A 555 65.517 6.907 -19.324 1.00 0.00 C ATOM 550 C GLN A 555 64.381 7.625 -18.594 1.00 0.00 C ATOM 551 O GLN A 555 63.833 8.604 -19.103 1.00 0.00 O ATOM 552 CB GLN A 555 64.959 5.682 -20.054 1.00 0.00 C ATOM 553 CG GLN A 555 66.006 5.149 -21.033 1.00 0.00 C ATOM 554 CD GLN A 555 65.440 3.967 -21.810 1.00 0.00 C ATOM 555 OE1 GLN A 555 64.688 4.154 -22.768 1.00 0.00 O ATOM 556 NE2 GLN A 555 65.755 2.752 -21.454 1.00 0.00 N ATOM 0 H GLN A 555 66.736 5.489 -18.364 1.00 0.00 H new ATOM 0 HA GLN A 555 65.956 7.598 -20.043 1.00 0.00 H new ATOM 0 HB2 GLN A 555 64.691 4.908 -19.335 1.00 0.00 H new ATOM 0 HB3 GLN A 555 64.048 5.949 -20.589 1.00 0.00 H new ATOM 0 HG2 GLN A 555 66.306 5.938 -21.723 1.00 0.00 H new ATOM 0 HG3 GLN A 555 66.901 4.843 -20.490 1.00 0.00 H new ATOM 0 HE21 GLN A 555 66.378 2.598 -20.661 1.00 0.00 H new ATOM 0 HE22 GLN A 555 65.379 1.956 -21.969 1.00 0.00 H new ATOM 565 N ALA A 556 64.029 7.129 -17.407 1.00 0.00 N ATOM 566 CA ALA A 556 62.938 7.714 -16.627 1.00 0.00 C ATOM 567 C ALA A 556 63.252 9.151 -16.219 1.00 0.00 C ATOM 568 O ALA A 556 62.348 9.985 -16.134 1.00 0.00 O ATOM 569 CB ALA A 556 62.680 6.875 -15.373 1.00 0.00 C ATOM 0 H ALA A 556 64.481 6.328 -16.967 1.00 0.00 H new ATOM 0 HA ALA A 556 62.048 7.721 -17.256 1.00 0.00 H new ATOM 0 HB1 ALA A 556 61.866 7.319 -14.799 1.00 0.00 H new ATOM 0 HB2 ALA A 556 62.408 5.860 -15.664 1.00 0.00 H new ATOM 0 HB3 ALA A 556 63.582 6.848 -14.762 1.00 0.00 H new ATOM 575 N GLN A 557 64.530 9.439 -15.967 1.00 0.00 N ATOM 576 CA GLN A 557 64.939 10.796 -15.605 1.00 0.00 C ATOM 577 C GLN A 557 64.718 11.741 -16.782 1.00 0.00 C ATOM 578 O GLN A 557 64.247 12.866 -16.612 1.00 0.00 O ATOM 579 CB GLN A 557 66.418 10.810 -15.210 1.00 0.00 C ATOM 580 CG GLN A 557 66.620 9.969 -13.948 1.00 0.00 C ATOM 581 CD GLN A 557 68.079 10.029 -13.507 1.00 0.00 C ATOM 582 OE1 GLN A 557 68.730 11.065 -13.644 1.00 0.00 O ATOM 583 NE2 GLN A 557 68.636 8.972 -12.981 1.00 0.00 N ATOM 0 H GLN A 557 65.290 8.760 -16.006 1.00 0.00 H new ATOM 0 HA GLN A 557 64.337 11.128 -14.759 1.00 0.00 H new ATOM 0 HB2 GLN A 557 67.026 10.415 -16.024 1.00 0.00 H new ATOM 0 HB3 GLN A 557 66.748 11.834 -15.034 1.00 0.00 H new ATOM 0 HG2 GLN A 557 65.975 10.336 -13.150 1.00 0.00 H new ATOM 0 HG3 GLN A 557 66.332 8.935 -14.140 1.00 0.00 H new ATOM 0 HE21 GLN A 557 68.096 8.114 -12.868 1.00 0.00 H new ATOM 0 HE22 GLN A 557 69.611 9.004 -12.683 1.00 0.00 H new ATOM 592 N GLN A 558 65.068 11.264 -17.976 1.00 0.00 N ATOM 593 CA GLN A 558 64.829 12.022 -19.201 1.00 0.00 C ATOM 594 C GLN A 558 63.343 12.020 -19.571 1.00 0.00 C ATOM 595 O GLN A 558 62.851 12.974 -20.176 1.00 0.00 O ATOM 596 CB GLN A 558 65.642 11.424 -20.351 1.00 0.00 C ATOM 597 CG GLN A 558 67.135 11.577 -20.055 1.00 0.00 C ATOM 598 CD GLN A 558 67.960 10.948 -21.174 1.00 0.00 C ATOM 599 OE1 GLN A 558 67.547 9.952 -21.770 1.00 0.00 O ATOM 600 NE2 GLN A 558 69.110 11.474 -21.498 1.00 0.00 N ATOM 0 H GLN A 558 65.516 10.359 -18.120 1.00 0.00 H new ATOM 0 HA GLN A 558 65.140 13.052 -19.027 1.00 0.00 H new ATOM 0 HB2 GLN A 558 65.392 10.371 -20.478 1.00 0.00 H new ATOM 0 HB3 GLN A 558 65.393 11.926 -21.286 1.00 0.00 H new ATOM 0 HG2 GLN A 558 67.387 12.633 -19.956 1.00 0.00 H new ATOM 0 HG3 GLN A 558 67.376 11.101 -19.104 1.00 0.00 H new ATOM 0 HE21 GLN A 558 69.451 12.299 -21.004 1.00 0.00 H new ATOM 0 HE22 GLN A 558 69.668 11.060 -22.245 1.00 0.00 H new ATOM 609 N ASN A 559 62.633 10.950 -19.205 1.00 0.00 N ATOM 610 CA ASN A 559 61.234 10.796 -19.591 1.00 0.00 C ATOM 611 C ASN A 559 60.553 9.726 -18.723 1.00 0.00 C ATOM 612 O ASN A 559 60.759 8.532 -18.942 1.00 0.00 O ATOM 613 CB ASN A 559 61.149 10.386 -21.061 1.00 0.00 C ATOM 614 CG ASN A 559 59.799 10.791 -21.644 1.00 0.00 C ATOM 615 OD1 ASN A 559 58.795 10.120 -21.407 1.00 0.00 O ATOM 616 ND2 ASN A 559 59.715 11.855 -22.394 1.00 0.00 N ATOM 0 H ASN A 559 63.004 10.183 -18.645 1.00 0.00 H new ATOM 0 HA ASN A 559 60.724 11.748 -19.444 1.00 0.00 H new ATOM 0 HB2 ASN A 559 61.953 10.859 -21.625 1.00 0.00 H new ATOM 0 HB3 ASN A 559 61.285 9.309 -21.154 1.00 0.00 H new ATOM 0 HD21 ASN A 559 58.815 12.133 -22.786 1.00 0.00 H new ATOM 0 HD22 ASN A 559 60.549 12.409 -22.589 1.00 0.00 H new ATOM 623 N PRO A 560 59.728 10.122 -17.771 1.00 0.00 N ATOM 624 CA PRO A 560 59.235 9.179 -16.714 1.00 0.00 C ATOM 625 C PRO A 560 58.398 8.025 -17.279 1.00 0.00 C ATOM 626 O PRO A 560 58.196 7.014 -16.604 1.00 0.00 O ATOM 627 CB PRO A 560 58.390 10.062 -15.789 1.00 0.00 C ATOM 628 CG PRO A 560 57.977 11.225 -16.622 1.00 0.00 C ATOM 629 CD PRO A 560 59.100 11.452 -17.630 1.00 0.00 C ATOM 0 HA PRO A 560 60.066 8.690 -16.206 1.00 0.00 H new ATOM 0 HB2 PRO A 560 57.522 9.520 -15.413 1.00 0.00 H new ATOM 0 HB3 PRO A 560 58.965 10.385 -14.921 1.00 0.00 H new ATOM 0 HG2 PRO A 560 57.034 11.024 -17.130 1.00 0.00 H new ATOM 0 HG3 PRO A 560 57.824 12.110 -16.005 1.00 0.00 H new ATOM 0 HD2 PRO A 560 58.714 11.814 -18.583 1.00 0.00 H new ATOM 0 HD3 PRO A 560 59.813 12.194 -17.272 1.00 0.00 H new ATOM 637 N ALA A 561 57.904 8.183 -18.508 1.00 0.00 N ATOM 638 CA ALA A 561 57.063 7.157 -19.126 1.00 0.00 C ATOM 639 C ALA A 561 57.860 5.881 -19.411 1.00 0.00 C ATOM 640 O ALA A 561 57.303 4.780 -19.409 1.00 0.00 O ATOM 641 CB ALA A 561 56.461 7.686 -20.430 1.00 0.00 C ATOM 0 H ALA A 561 58.070 9.004 -19.091 1.00 0.00 H new ATOM 0 HA ALA A 561 56.264 6.914 -18.425 1.00 0.00 H new ATOM 0 HB1 ALA A 561 55.837 6.915 -20.882 1.00 0.00 H new ATOM 0 HB2 ALA A 561 55.854 8.567 -20.220 1.00 0.00 H new ATOM 0 HB3 ALA A 561 57.263 7.954 -21.118 1.00 0.00 H new ATOM 647 N ALA A 562 59.166 6.030 -19.650 1.00 0.00 N ATOM 648 CA ALA A 562 60.017 4.887 -20.001 1.00 0.00 C ATOM 649 C ALA A 562 59.910 3.758 -18.973 1.00 0.00 C ATOM 650 O ALA A 562 59.708 2.597 -19.338 1.00 0.00 O ATOM 651 CB ALA A 562 61.476 5.339 -20.104 1.00 0.00 C ATOM 0 H ALA A 562 59.655 6.924 -19.608 1.00 0.00 H new ATOM 0 HA ALA A 562 59.672 4.504 -20.961 1.00 0.00 H new ATOM 0 HB1 ALA A 562 62.103 4.487 -20.365 1.00 0.00 H new ATOM 0 HB2 ALA A 562 61.566 6.105 -20.874 1.00 0.00 H new ATOM 0 HB3 ALA A 562 61.799 5.748 -19.146 1.00 0.00 H new ATOM 657 N LEU A 563 59.999 4.097 -17.688 1.00 0.00 N ATOM 658 CA LEU A 563 60.009 3.063 -16.653 1.00 0.00 C ATOM 659 C LEU A 563 58.648 2.367 -16.563 1.00 0.00 C ATOM 660 O LEU A 563 58.568 1.189 -16.212 1.00 0.00 O ATOM 661 CB LEU A 563 60.438 3.625 -15.279 1.00 0.00 C ATOM 662 CG LEU A 563 59.707 4.927 -14.907 1.00 0.00 C ATOM 663 CD1 LEU A 563 58.228 4.653 -14.594 1.00 0.00 C ATOM 664 CD2 LEU A 563 60.389 5.529 -13.674 1.00 0.00 C ATOM 0 H LEU A 563 60.064 5.055 -17.343 1.00 0.00 H new ATOM 0 HA LEU A 563 60.753 2.321 -16.943 1.00 0.00 H new ATOM 0 HB2 LEU A 563 60.248 2.876 -14.511 1.00 0.00 H new ATOM 0 HB3 LEU A 563 61.513 3.808 -15.287 1.00 0.00 H new ATOM 0 HG LEU A 563 59.754 5.619 -15.748 1.00 0.00 H new ATOM 0 HD11 LEU A 563 57.732 5.588 -14.334 1.00 0.00 H new ATOM 0 HD12 LEU A 563 57.746 4.218 -15.469 1.00 0.00 H new ATOM 0 HD13 LEU A 563 58.156 3.959 -13.757 1.00 0.00 H new ATOM 0 HD21 LEU A 563 59.885 6.454 -13.394 1.00 0.00 H new ATOM 0 HD22 LEU A 563 60.335 4.822 -12.846 1.00 0.00 H new ATOM 0 HD23 LEU A 563 61.434 5.740 -13.903 1.00 0.00 H new ATOM 676 N GLN A 564 57.577 3.092 -16.910 1.00 0.00 N ATOM 677 CA GLN A 564 56.230 2.524 -16.859 1.00 0.00 C ATOM 678 C GLN A 564 56.100 1.353 -17.832 1.00 0.00 C ATOM 679 O GLN A 564 55.843 0.223 -17.418 1.00 0.00 O ATOM 680 CB GLN A 564 55.199 3.599 -17.214 1.00 0.00 C ATOM 681 CG GLN A 564 53.796 3.108 -16.845 1.00 0.00 C ATOM 682 CD GLN A 564 52.751 4.109 -17.322 1.00 0.00 C ATOM 683 OE1 GLN A 564 52.662 4.393 -18.517 1.00 0.00 O ATOM 684 NE2 GLN A 564 51.950 4.665 -16.455 1.00 0.00 N ATOM 0 H GLN A 564 57.618 4.061 -17.225 1.00 0.00 H new ATOM 0 HA GLN A 564 56.048 2.161 -15.847 1.00 0.00 H new ATOM 0 HB2 GLN A 564 55.424 4.523 -16.681 1.00 0.00 H new ATOM 0 HB3 GLN A 564 55.247 3.826 -18.279 1.00 0.00 H new ATOM 0 HG2 GLN A 564 53.612 2.134 -17.298 1.00 0.00 H new ATOM 0 HG3 GLN A 564 53.720 2.977 -15.766 1.00 0.00 H new ATOM 0 HE21 GLN A 564 52.026 4.428 -15.466 1.00 0.00 H new ATOM 0 HE22 GLN A 564 51.248 5.336 -16.766 1.00 0.00 H new ATOM 693 N GLU A 565 56.448 1.594 -19.098 1.00 0.00 N ATOM 694 CA GLU A 565 56.361 0.547 -20.122 1.00 0.00 C ATOM 695 C GLU A 565 57.288 -0.627 -19.790 1.00 0.00 C ATOM 696 O GLU A 565 57.026 -1.765 -20.183 1.00 0.00 O ATOM 697 CB GLU A 565 56.717 1.120 -21.500 1.00 0.00 C ATOM 698 CG GLU A 565 58.117 1.740 -21.470 1.00 0.00 C ATOM 699 CD GLU A 565 58.600 2.002 -22.893 1.00 0.00 C ATOM 700 OE1 GLU A 565 57.917 2.717 -23.607 1.00 0.00 O ATOM 701 OE2 GLU A 565 59.645 1.482 -23.248 1.00 0.00 O ATOM 0 H GLU A 565 56.789 2.493 -19.437 1.00 0.00 H new ATOM 0 HA GLU A 565 55.335 0.180 -20.141 1.00 0.00 H new ATOM 0 HB2 GLU A 565 56.677 0.331 -22.251 1.00 0.00 H new ATOM 0 HB3 GLU A 565 55.984 1.873 -21.789 1.00 0.00 H new ATOM 0 HG2 GLU A 565 58.099 2.672 -20.905 1.00 0.00 H new ATOM 0 HG3 GLU A 565 58.809 1.071 -20.959 1.00 0.00 H new ATOM 708 N HIS A 566 58.369 -0.335 -19.067 1.00 0.00 N ATOM 709 CA HIS A 566 59.292 -1.378 -18.623 1.00 0.00 C ATOM 710 C HIS A 566 58.601 -2.343 -17.657 1.00 0.00 C ATOM 711 O HIS A 566 58.718 -3.558 -17.799 1.00 0.00 O ATOM 712 CB HIS A 566 60.509 -0.747 -17.946 1.00 0.00 C ATOM 713 CG HIS A 566 61.580 -0.344 -18.923 1.00 0.00 C ATOM 714 ND1 HIS A 566 61.904 0.984 -19.162 1.00 0.00 N ATOM 715 CD2 HIS A 566 62.400 -1.081 -19.741 1.00 0.00 C ATOM 716 CE1 HIS A 566 62.878 1.003 -20.091 1.00 0.00 C ATOM 717 NE2 HIS A 566 63.218 -0.229 -20.477 1.00 0.00 N ATOM 0 H HIS A 566 58.626 0.609 -18.778 1.00 0.00 H new ATOM 0 HA HIS A 566 59.618 -1.941 -19.498 1.00 0.00 H new ATOM 0 HB2 HIS A 566 60.191 0.130 -17.382 1.00 0.00 H new ATOM 0 HB3 HIS A 566 60.926 -1.454 -17.228 1.00 0.00 H new ATOM 0 HD1 HIS A 566 61.481 1.798 -18.715 1.00 0.00 H new ATOM 0 HD2 HIS A 566 62.409 -2.159 -19.804 1.00 0.00 H new ATOM 0 HE1 HIS A 566 63.329 1.905 -20.477 1.00 0.00 H new ATOM 725 N MET A 567 57.835 -1.798 -16.711 1.00 0.00 N ATOM 726 CA MET A 567 57.117 -2.630 -15.748 1.00 0.00 C ATOM 727 C MET A 567 56.095 -3.514 -16.464 1.00 0.00 C ATOM 728 O MET A 567 55.896 -4.670 -16.092 1.00 0.00 O ATOM 729 CB MET A 567 56.401 -1.745 -14.722 1.00 0.00 C ATOM 730 CG MET A 567 55.923 -2.602 -13.547 1.00 0.00 C ATOM 731 SD MET A 567 54.836 -1.619 -12.483 1.00 0.00 S ATOM 732 CE MET A 567 56.121 -0.598 -11.720 1.00 0.00 C ATOM 0 H MET A 567 57.697 -0.794 -16.592 1.00 0.00 H new ATOM 0 HA MET A 567 57.838 -3.267 -15.236 1.00 0.00 H new ATOM 0 HB2 MET A 567 57.075 -0.966 -14.366 1.00 0.00 H new ATOM 0 HB3 MET A 567 55.553 -1.244 -15.188 1.00 0.00 H new ATOM 0 HG2 MET A 567 55.392 -3.479 -13.916 1.00 0.00 H new ATOM 0 HG3 MET A 567 56.778 -2.964 -12.976 1.00 0.00 H new ATOM 0 HE1 MET A 567 55.726 -0.129 -10.819 1.00 0.00 H new ATOM 0 HE2 MET A 567 56.975 -1.223 -11.460 1.00 0.00 H new ATOM 0 HE3 MET A 567 56.437 0.174 -12.422 1.00 0.00 H new ATOM 742 N LYS A 568 55.468 -2.967 -17.504 1.00 0.00 N ATOM 743 CA LYS A 568 54.518 -3.737 -18.308 1.00 0.00 C ATOM 744 C LYS A 568 55.251 -4.745 -19.195 1.00 0.00 C ATOM 745 O LYS A 568 54.746 -5.839 -19.449 1.00 0.00 O ATOM 746 CB LYS A 568 53.686 -2.795 -19.181 1.00 0.00 C ATOM 747 CG LYS A 568 52.827 -1.896 -18.290 1.00 0.00 C ATOM 748 CD LYS A 568 52.099 -0.863 -19.153 1.00 0.00 C ATOM 749 CE LYS A 568 50.974 -1.546 -19.935 1.00 0.00 C ATOM 750 NZ LYS A 568 49.913 -1.995 -18.989 1.00 0.00 N ATOM 0 H LYS A 568 55.598 -2.002 -17.809 1.00 0.00 H new ATOM 0 HA LYS A 568 53.859 -4.281 -17.631 1.00 0.00 H new ATOM 0 HB2 LYS A 568 54.341 -2.187 -19.805 1.00 0.00 H new ATOM 0 HB3 LYS A 568 53.051 -3.372 -19.853 1.00 0.00 H new ATOM 0 HG2 LYS A 568 52.105 -2.497 -17.738 1.00 0.00 H new ATOM 0 HG3 LYS A 568 53.453 -1.393 -17.553 1.00 0.00 H new ATOM 0 HD2 LYS A 568 51.690 -0.073 -18.524 1.00 0.00 H new ATOM 0 HD3 LYS A 568 52.800 -0.391 -19.842 1.00 0.00 H new ATOM 0 HE2 LYS A 568 50.555 -0.856 -20.667 1.00 0.00 H new ATOM 0 HE3 LYS A 568 51.367 -2.399 -20.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 48.997 -1.599 -19.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 49.859 -3.034 -18.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 50.142 -1.666 -18.029 1.00 0.00 H new ATOM 764 N ASN A 569 56.443 -4.366 -19.662 1.00 0.00 N ATOM 765 CA ASN A 569 57.257 -5.251 -20.504 1.00 0.00 C ATOM 766 C ASN A 569 57.586 -6.556 -19.762 1.00 0.00 C ATOM 767 O ASN A 569 57.951 -6.520 -18.589 1.00 0.00 O ATOM 768 CB ASN A 569 58.559 -4.534 -20.891 1.00 0.00 C ATOM 769 CG ASN A 569 59.049 -5.017 -22.252 1.00 0.00 C ATOM 770 OD1 ASN A 569 59.982 -5.817 -22.328 1.00 0.00 O ATOM 771 ND2 ASN A 569 58.473 -4.578 -23.337 1.00 0.00 N ATOM 0 H ASN A 569 56.866 -3.457 -19.474 1.00 0.00 H new ATOM 0 HA ASN A 569 56.691 -5.497 -21.402 1.00 0.00 H new ATOM 0 HB2 ASN A 569 58.394 -3.457 -20.918 1.00 0.00 H new ATOM 0 HB3 ASN A 569 59.322 -4.720 -20.136 1.00 0.00 H new ATOM 0 HD21 ASN A 569 58.795 -4.897 -24.251 1.00 0.00 H new ATOM 0 HD22 ASN A 569 57.700 -3.915 -23.272 1.00 0.00 H new ATOM 778 N PRO A 570 57.464 -7.697 -20.414 1.00 0.00 N ATOM 779 CA PRO A 570 57.492 -9.016 -19.702 1.00 0.00 C ATOM 780 C PRO A 570 58.857 -9.326 -19.086 1.00 0.00 C ATOM 781 O PRO A 570 58.948 -9.696 -17.913 1.00 0.00 O ATOM 782 CB PRO A 570 57.136 -10.036 -20.789 1.00 0.00 C ATOM 783 CG PRO A 570 57.509 -9.389 -22.077 1.00 0.00 C ATOM 784 CD PRO A 570 57.341 -7.885 -21.875 1.00 0.00 C ATOM 0 HA PRO A 570 56.800 -9.028 -18.860 1.00 0.00 H new ATOM 0 HB2 PRO A 570 57.681 -10.969 -20.646 1.00 0.00 H new ATOM 0 HB3 PRO A 570 56.074 -10.281 -20.765 1.00 0.00 H new ATOM 0 HG2 PRO A 570 58.536 -9.631 -22.349 1.00 0.00 H new ATOM 0 HG3 PRO A 570 56.873 -9.744 -22.888 1.00 0.00 H new ATOM 0 HD2 PRO A 570 58.104 -7.324 -22.414 1.00 0.00 H new ATOM 0 HD3 PRO A 570 56.374 -7.540 -22.240 1.00 0.00 H new ATOM 792 N GLU A 571 59.921 -9.128 -19.864 1.00 0.00 N ATOM 793 CA GLU A 571 61.265 -9.465 -19.398 1.00 0.00 C ATOM 794 C GLU A 571 61.682 -8.514 -18.281 1.00 0.00 C ATOM 795 O GLU A 571 62.195 -8.937 -17.238 1.00 0.00 O ATOM 796 CB GLU A 571 62.262 -9.377 -20.557 1.00 0.00 C ATOM 797 CG GLU A 571 63.582 -10.034 -20.149 1.00 0.00 C ATOM 798 CD GLU A 571 64.642 -9.788 -21.217 1.00 0.00 C ATOM 799 OE1 GLU A 571 64.717 -8.672 -21.705 1.00 0.00 O ATOM 800 OE2 GLU A 571 65.365 -10.720 -21.532 1.00 0.00 O ATOM 0 H GLU A 571 59.880 -8.741 -20.807 1.00 0.00 H new ATOM 0 HA GLU A 571 61.259 -10.485 -19.014 1.00 0.00 H new ATOM 0 HB2 GLU A 571 61.855 -9.872 -21.439 1.00 0.00 H new ATOM 0 HB3 GLU A 571 62.431 -8.334 -20.826 1.00 0.00 H new ATOM 0 HG2 GLU A 571 63.917 -9.631 -19.193 1.00 0.00 H new ATOM 0 HG3 GLU A 571 63.436 -11.105 -20.010 1.00 0.00 H new ATOM 807 N VAL A 572 61.362 -7.237 -18.459 1.00 0.00 N ATOM 808 CA VAL A 572 61.675 -6.240 -17.446 1.00 0.00 C ATOM 809 C VAL A 572 60.741 -6.415 -16.247 1.00 0.00 C ATOM 810 O VAL A 572 61.153 -6.230 -15.109 1.00 0.00 O ATOM 811 CB VAL A 572 61.542 -4.827 -18.032 1.00 0.00 C ATOM 812 CG1 VAL A 572 61.941 -3.782 -16.978 1.00 0.00 C ATOM 813 CG2 VAL A 572 62.453 -4.680 -19.261 1.00 0.00 C ATOM 0 H VAL A 572 60.891 -6.872 -19.287 1.00 0.00 H new ATOM 0 HA VAL A 572 62.704 -6.376 -17.114 1.00 0.00 H new ATOM 0 HB VAL A 572 60.505 -4.667 -18.328 1.00 0.00 H new ATOM 0 HG11 VAL A 572 61.844 -2.782 -17.402 1.00 0.00 H new ATOM 0 HG12 VAL A 572 61.288 -3.873 -16.110 1.00 0.00 H new ATOM 0 HG13 VAL A 572 62.974 -3.948 -16.674 1.00 0.00 H new ATOM 0 HG21 VAL A 572 62.352 -3.675 -19.670 1.00 0.00 H new ATOM 0 HG22 VAL A 572 63.489 -4.851 -18.968 1.00 0.00 H new ATOM 0 HG23 VAL A 572 62.165 -5.410 -20.017 1.00 0.00 H new ATOM 823 N PHE A 573 59.500 -6.844 -16.505 1.00 0.00 N ATOM 824 CA PHE A 573 58.514 -7.042 -15.434 1.00 0.00 C ATOM 825 C PHE A 573 59.077 -7.958 -14.343 1.00 0.00 C ATOM 826 O PHE A 573 58.988 -7.644 -13.156 1.00 0.00 O ATOM 827 CB PHE A 573 57.231 -7.650 -16.032 1.00 0.00 C ATOM 828 CG PHE A 573 56.199 -8.101 -15.015 1.00 0.00 C ATOM 829 CD1 PHE A 573 55.482 -7.147 -14.252 1.00 0.00 C ATOM 830 CD2 PHE A 573 55.941 -9.483 -14.841 1.00 0.00 C ATOM 831 CE1 PHE A 573 54.510 -7.575 -13.316 1.00 0.00 C ATOM 832 CE2 PHE A 573 54.971 -9.910 -13.903 1.00 0.00 C ATOM 833 CZ PHE A 573 54.254 -8.957 -13.141 1.00 0.00 C ATOM 0 H PHE A 573 59.155 -7.060 -17.440 1.00 0.00 H new ATOM 0 HA PHE A 573 58.283 -6.079 -14.979 1.00 0.00 H new ATOM 0 HB2 PHE A 573 56.771 -6.914 -16.691 1.00 0.00 H new ATOM 0 HB3 PHE A 573 57.506 -8.504 -16.651 1.00 0.00 H new ATOM 0 HD1 PHE A 573 55.677 -6.093 -14.384 1.00 0.00 H new ATOM 0 HD2 PHE A 573 56.485 -10.211 -15.424 1.00 0.00 H new ATOM 0 HE1 PHE A 573 53.963 -6.847 -12.735 1.00 0.00 H new ATOM 0 HE2 PHE A 573 54.778 -10.964 -13.769 1.00 0.00 H new ATOM 0 HZ PHE A 573 53.512 -9.283 -12.427 1.00 0.00 H new ATOM 843 N LYS A 574 59.713 -9.054 -14.760 1.00 0.00 N ATOM 844 CA LYS A 574 60.376 -9.953 -13.813 1.00 0.00 C ATOM 845 C LYS A 574 61.463 -9.210 -13.028 1.00 0.00 C ATOM 846 O LYS A 574 61.524 -9.296 -11.802 1.00 0.00 O ATOM 847 CB LYS A 574 61.009 -11.128 -14.567 1.00 0.00 C ATOM 848 CG LYS A 574 61.431 -12.212 -13.572 1.00 0.00 C ATOM 849 CD LYS A 574 62.155 -13.335 -14.317 1.00 0.00 C ATOM 850 CE LYS A 574 62.434 -14.489 -13.352 1.00 0.00 C ATOM 851 NZ LYS A 574 63.552 -14.117 -12.440 1.00 0.00 N ATOM 0 H LYS A 574 59.783 -9.339 -15.737 1.00 0.00 H new ATOM 0 HA LYS A 574 59.628 -10.324 -13.113 1.00 0.00 H new ATOM 0 HB2 LYS A 574 60.298 -11.537 -15.285 1.00 0.00 H new ATOM 0 HB3 LYS A 574 61.874 -10.785 -15.134 1.00 0.00 H new ATOM 0 HG2 LYS A 574 62.084 -11.787 -12.810 1.00 0.00 H new ATOM 0 HG3 LYS A 574 60.556 -12.608 -13.057 1.00 0.00 H new ATOM 0 HD2 LYS A 574 61.547 -13.684 -15.152 1.00 0.00 H new ATOM 0 HD3 LYS A 574 63.090 -12.964 -14.737 1.00 0.00 H new ATOM 0 HE2 LYS A 574 61.539 -14.717 -12.773 1.00 0.00 H new ATOM 0 HE3 LYS A 574 62.690 -15.389 -13.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 574 64.383 -14.706 -12.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 574 63.794 -13.115 -12.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 574 63.261 -14.271 -11.453 1.00 0.00 H new ATOM 865 N LYS A 575 62.272 -8.426 -13.743 1.00 0.00 N ATOM 866 CA LYS A 575 63.410 -7.738 -13.124 1.00 0.00 C ATOM 867 C LYS A 575 62.950 -6.708 -12.091 1.00 0.00 C ATOM 868 O LYS A 575 63.357 -6.754 -10.925 1.00 0.00 O ATOM 869 CB LYS A 575 64.233 -7.030 -14.198 1.00 0.00 C ATOM 870 CG LYS A 575 64.971 -8.063 -15.049 1.00 0.00 C ATOM 871 CD LYS A 575 65.979 -7.350 -15.952 1.00 0.00 C ATOM 872 CE LYS A 575 66.695 -8.375 -16.831 1.00 0.00 C ATOM 873 NZ LYS A 575 65.705 -9.046 -17.719 1.00 0.00 N ATOM 0 H LYS A 575 62.163 -8.252 -14.742 1.00 0.00 H new ATOM 0 HA LYS A 575 64.015 -8.490 -12.618 1.00 0.00 H new ATOM 0 HB2 LYS A 575 63.582 -6.425 -14.828 1.00 0.00 H new ATOM 0 HB3 LYS A 575 64.948 -6.351 -13.733 1.00 0.00 H new ATOM 0 HG2 LYS A 575 65.484 -8.780 -14.407 1.00 0.00 H new ATOM 0 HG3 LYS A 575 64.261 -8.627 -15.653 1.00 0.00 H new ATOM 0 HD2 LYS A 575 65.469 -6.615 -16.575 1.00 0.00 H new ATOM 0 HD3 LYS A 575 66.704 -6.806 -15.346 1.00 0.00 H new ATOM 0 HE2 LYS A 575 67.462 -7.884 -17.430 1.00 0.00 H new ATOM 0 HE3 LYS A 575 67.201 -9.113 -16.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 66.092 -9.114 -18.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 65.506 -10.001 -17.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 64.825 -8.493 -17.738 1.00 0.00 H new ATOM 887 N ILE A 576 62.072 -5.803 -12.517 1.00 0.00 N ATOM 888 CA ILE A 576 61.627 -4.697 -11.663 1.00 0.00 C ATOM 889 C ILE A 576 60.980 -5.239 -10.380 1.00 0.00 C ATOM 890 O ILE A 576 61.329 -4.819 -9.274 1.00 0.00 O ATOM 891 CB ILE A 576 60.621 -3.803 -12.424 1.00 0.00 C ATOM 892 CG1 ILE A 576 61.209 -3.341 -13.779 1.00 0.00 C ATOM 893 CG2 ILE A 576 60.261 -2.575 -11.574 1.00 0.00 C ATOM 894 CD1 ILE A 576 62.438 -2.442 -13.587 1.00 0.00 C ATOM 0 H ILE A 576 61.653 -5.811 -13.447 1.00 0.00 H new ATOM 0 HA ILE A 576 62.497 -4.098 -11.392 1.00 0.00 H new ATOM 0 HB ILE A 576 59.722 -4.389 -12.616 1.00 0.00 H new ATOM 0 HG12 ILE A 576 61.485 -4.213 -14.372 1.00 0.00 H new ATOM 0 HG13 ILE A 576 60.447 -2.801 -14.341 1.00 0.00 H new ATOM 0 HG21 ILE A 576 59.552 -1.951 -12.118 1.00 0.00 H new ATOM 0 HG22 ILE A 576 59.812 -2.901 -10.636 1.00 0.00 H new ATOM 0 HG23 ILE A 576 61.163 -2.001 -11.364 1.00 0.00 H new ATOM 0 HD11 ILE A 576 62.822 -2.138 -14.561 1.00 0.00 H new ATOM 0 HD12 ILE A 576 62.156 -1.557 -13.016 1.00 0.00 H new ATOM 0 HD13 ILE A 576 63.210 -2.991 -13.048 1.00 0.00 H new ATOM 906 N GLN A 577 60.086 -6.219 -10.532 1.00 0.00 N ATOM 907 CA GLN A 577 59.371 -6.781 -9.383 1.00 0.00 C ATOM 908 C GLN A 577 60.336 -7.382 -8.358 1.00 0.00 C ATOM 909 O GLN A 577 60.207 -7.133 -7.160 1.00 0.00 O ATOM 910 CB GLN A 577 58.399 -7.866 -9.848 1.00 0.00 C ATOM 911 CG GLN A 577 57.217 -7.217 -10.568 1.00 0.00 C ATOM 912 CD GLN A 577 56.129 -8.255 -10.812 1.00 0.00 C ATOM 913 OE1 GLN A 577 56.404 -9.330 -11.346 1.00 0.00 O ATOM 914 NE2 GLN A 577 54.901 -7.997 -10.452 1.00 0.00 N ATOM 0 H GLN A 577 59.841 -6.637 -11.430 1.00 0.00 H new ATOM 0 HA GLN A 577 58.824 -5.966 -8.909 1.00 0.00 H new ATOM 0 HB2 GLN A 577 58.907 -8.563 -10.515 1.00 0.00 H new ATOM 0 HB3 GLN A 577 58.046 -8.443 -8.994 1.00 0.00 H new ATOM 0 HG2 GLN A 577 56.822 -6.396 -9.970 1.00 0.00 H new ATOM 0 HG3 GLN A 577 57.546 -6.792 -11.516 1.00 0.00 H new ATOM 0 HE21 GLN A 577 54.676 -7.106 -10.010 1.00 0.00 H new ATOM 0 HE22 GLN A 577 54.167 -8.687 -10.613 1.00 0.00 H new ATOM 923 N THR A 578 61.312 -8.157 -8.838 1.00 0.00 N ATOM 924 CA THR A 578 62.217 -8.886 -7.947 1.00 0.00 C ATOM 925 C THR A 578 62.918 -7.943 -6.966 1.00 0.00 C ATOM 926 O THR A 578 62.861 -8.154 -5.752 1.00 0.00 O ATOM 927 CB THR A 578 63.267 -9.647 -8.772 1.00 0.00 C ATOM 928 OG1 THR A 578 62.613 -10.399 -9.784 1.00 0.00 O ATOM 929 CG2 THR A 578 64.064 -10.597 -7.868 1.00 0.00 C ATOM 0 H THR A 578 61.495 -8.295 -9.832 1.00 0.00 H new ATOM 0 HA THR A 578 61.620 -9.593 -7.371 1.00 0.00 H new ATOM 0 HB THR A 578 63.952 -8.930 -9.225 1.00 0.00 H new ATOM 0 HG1 THR A 578 62.574 -9.872 -10.609 1.00 0.00 H new ATOM 0 HG21 THR A 578 64.805 -11.130 -8.464 1.00 0.00 H new ATOM 0 HG22 THR A 578 64.569 -10.022 -7.091 1.00 0.00 H new ATOM 0 HG23 THR A 578 63.386 -11.314 -7.406 1.00 0.00 H new ATOM 937 N LEU A 579 63.523 -6.876 -7.480 1.00 0.00 N ATOM 938 CA LEU A 579 64.350 -6.020 -6.630 1.00 0.00 C ATOM 939 C LEU A 579 63.505 -5.184 -5.667 1.00 0.00 C ATOM 940 O LEU A 579 63.929 -4.925 -4.539 1.00 0.00 O ATOM 941 CB LEU A 579 65.238 -5.102 -7.479 1.00 0.00 C ATOM 942 CG LEU A 579 66.164 -5.930 -8.394 1.00 0.00 C ATOM 943 CD1 LEU A 579 67.184 -4.996 -9.041 1.00 0.00 C ATOM 944 CD2 LEU A 579 66.924 -6.997 -7.594 1.00 0.00 C ATOM 0 H LEU A 579 63.461 -6.587 -8.456 1.00 0.00 H new ATOM 0 HA LEU A 579 64.984 -6.678 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 579 64.615 -4.444 -8.084 1.00 0.00 H new ATOM 0 HB3 LEU A 579 65.837 -4.465 -6.829 1.00 0.00 H new ATOM 0 HG LEU A 579 65.550 -6.424 -9.147 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.844 -5.572 -9.690 1.00 0.00 H new ATOM 0 HD12 LEU A 579 66.664 -4.241 -9.630 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.774 -4.508 -8.265 1.00 0.00 H new ATOM 0 HD21 LEU A 579 67.568 -7.565 -8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 579 67.532 -6.514 -6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 579 66.212 -7.671 -7.119 1.00 0.00 H new ATOM 956 N ILE A 580 62.314 -4.761 -6.102 1.00 0.00 N ATOM 957 CA ILE A 580 61.425 -3.985 -5.230 1.00 0.00 C ATOM 958 C ILE A 580 60.958 -4.839 -4.047 1.00 0.00 C ATOM 959 O ILE A 580 60.957 -4.380 -2.905 1.00 0.00 O ATOM 960 CB ILE A 580 60.217 -3.469 -6.028 1.00 0.00 C ATOM 961 CG1 ILE A 580 60.718 -2.595 -7.182 1.00 0.00 C ATOM 962 CG2 ILE A 580 59.300 -2.630 -5.124 1.00 0.00 C ATOM 963 CD1 ILE A 580 59.545 -2.216 -8.087 1.00 0.00 C ATOM 0 H ILE A 580 61.947 -4.939 -7.037 1.00 0.00 H new ATOM 0 HA ILE A 580 61.978 -3.130 -4.841 1.00 0.00 H new ATOM 0 HB ILE A 580 59.655 -4.319 -6.414 1.00 0.00 H new ATOM 0 HG12 ILE A 580 61.193 -1.696 -6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 580 61.474 -3.131 -7.756 1.00 0.00 H new ATOM 0 HG21 ILE A 580 58.449 -2.271 -5.702 1.00 0.00 H new ATOM 0 HG22 ILE A 580 58.944 -3.244 -4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 580 59.856 -1.779 -4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 580 59.904 -1.594 -8.907 1.00 0.00 H new ATOM 0 HD12 ILE A 580 59.089 -3.120 -8.490 1.00 0.00 H new ATOM 0 HD13 ILE A 580 58.804 -1.663 -7.510 1.00 0.00 H new ATOM 975 N ALA A 581 60.561 -6.080 -4.334 1.00 0.00 N ATOM 976 CA ALA A 581 60.196 -7.028 -3.279 1.00 0.00 C ATOM 977 C ALA A 581 61.371 -7.259 -2.324 1.00 0.00 C ATOM 978 O ALA A 581 61.177 -7.500 -1.132 1.00 0.00 O ATOM 979 CB ALA A 581 59.776 -8.362 -3.900 1.00 0.00 C ATOM 0 H ALA A 581 60.484 -6.451 -5.281 1.00 0.00 H new ATOM 0 HA ALA A 581 59.364 -6.607 -2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 581 59.506 -9.062 -3.110 1.00 0.00 H new ATOM 0 HB2 ALA A 581 58.918 -8.205 -4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 581 60.604 -8.770 -4.479 1.00 0.00 H new ATOM 985 N ALA A 582 62.586 -7.184 -2.867 1.00 0.00 N ATOM 986 CA ALA A 582 63.798 -7.307 -2.059 1.00 0.00 C ATOM 987 C ALA A 582 64.098 -6.022 -1.270 1.00 0.00 C ATOM 988 O ALA A 582 65.052 -5.989 -0.491 1.00 0.00 O ATOM 989 CB ALA A 582 64.988 -7.638 -2.962 1.00 0.00 C ATOM 0 H ALA A 582 62.757 -7.039 -3.862 1.00 0.00 H new ATOM 0 HA ALA A 582 63.634 -8.110 -1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 582 65.890 -7.729 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 582 64.802 -8.579 -3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 582 65.121 -6.842 -3.694 1.00 0.00 H new ATOM 995 N GLY A 583 63.292 -4.969 -1.463 1.00 0.00 N ATOM 996 CA GLY A 583 63.495 -3.715 -0.738 1.00 0.00 C ATOM 997 C GLY A 583 64.748 -2.982 -1.213 1.00 0.00 C ATOM 998 O GLY A 583 65.354 -2.227 -0.451 1.00 0.00 O ATOM 0 H GLY A 583 62.502 -4.963 -2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 583 62.625 -3.072 -0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 583 63.577 -3.921 0.329 1.00 0.00 H new ATOM 1002 N ILE A 584 65.129 -3.196 -2.473 1.00 0.00 N ATOM 1003 CA ILE A 584 66.370 -2.622 -2.994 1.00 0.00 C ATOM 1004 C ILE A 584 66.101 -1.318 -3.743 1.00 0.00 C ATOM 1005 O ILE A 584 66.886 -0.373 -3.653 1.00 0.00 O ATOM 1006 CB ILE A 584 67.069 -3.612 -3.938 1.00 0.00 C ATOM 1007 CG1 ILE A 584 67.136 -5.001 -3.282 1.00 0.00 C ATOM 1008 CG2 ILE A 584 68.492 -3.118 -4.223 1.00 0.00 C ATOM 1009 CD1 ILE A 584 67.701 -6.032 -4.272 1.00 0.00 C ATOM 0 H ILE A 584 64.603 -3.756 -3.145 1.00 0.00 H new ATOM 0 HA ILE A 584 67.017 -2.414 -2.142 1.00 0.00 H new ATOM 0 HB ILE A 584 66.506 -3.681 -4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 584 67.763 -4.960 -2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 584 66.141 -5.306 -2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 584 68.993 -3.817 -4.893 1.00 0.00 H new ATOM 0 HG22 ILE A 584 68.449 -2.135 -4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 584 69.048 -3.050 -3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 584 67.743 -7.011 -3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 584 67.057 -6.084 -5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 584 68.704 -5.733 -4.575 1.00 0.00 H new ATOM 1021 N ILE A 585 64.989 -1.272 -4.479 1.00 0.00 N ATOM 1022 CA ILE A 585 64.727 -0.151 -5.383 1.00 0.00 C ATOM 1023 C ILE A 585 63.307 0.385 -5.188 1.00 0.00 C ATOM 1024 O ILE A 585 62.356 -0.381 -5.050 1.00 0.00 O ATOM 1025 CB ILE A 585 64.911 -0.600 -6.838 1.00 0.00 C ATOM 1026 CG1 ILE A 585 66.315 -1.190 -7.020 1.00 0.00 C ATOM 1027 CG2 ILE A 585 64.742 0.599 -7.783 1.00 0.00 C ATOM 1028 CD1 ILE A 585 66.417 -1.859 -8.393 1.00 0.00 C ATOM 0 H ILE A 585 64.263 -1.989 -4.468 1.00 0.00 H new ATOM 0 HA ILE A 585 65.435 0.646 -5.154 1.00 0.00 H new ATOM 0 HB ILE A 585 64.160 -1.354 -7.073 1.00 0.00 H new ATOM 0 HG12 ILE A 585 67.065 -0.404 -6.931 1.00 0.00 H new ATOM 0 HG13 ILE A 585 66.520 -1.917 -6.234 1.00 0.00 H new ATOM 0 HG21 ILE A 585 64.874 0.271 -8.814 1.00 0.00 H new ATOM 0 HG22 ILE A 585 63.744 1.020 -7.661 1.00 0.00 H new ATOM 0 HG23 ILE A 585 65.488 1.358 -7.545 1.00 0.00 H new ATOM 0 HD11 ILE A 585 67.415 -2.278 -8.521 1.00 0.00 H new ATOM 0 HD12 ILE A 585 65.677 -2.656 -8.465 1.00 0.00 H new ATOM 0 HD13 ILE A 585 66.231 -1.120 -9.172 1.00 0.00 H new ATOM 1040 N ARG A 586 63.182 1.716 -5.206 1.00 0.00 N ATOM 1041 CA ARG A 586 61.875 2.377 -5.146 1.00 0.00 C ATOM 1042 C ARG A 586 61.020 1.847 -3.986 1.00 0.00 C ATOM 1043 O ARG A 586 59.906 1.357 -4.192 1.00 0.00 O ATOM 1044 CB ARG A 586 61.146 2.161 -6.474 1.00 0.00 C ATOM 1045 CG ARG A 586 61.671 3.153 -7.516 1.00 0.00 C ATOM 1046 CD ARG A 586 60.962 2.915 -8.851 1.00 0.00 C ATOM 1047 NE ARG A 586 59.560 3.330 -8.763 1.00 0.00 N ATOM 1048 CZ ARG A 586 58.646 2.963 -9.674 1.00 0.00 C ATOM 1049 NH1 ARG A 586 58.965 2.207 -10.697 1.00 0.00 N ATOM 1050 NH2 ARG A 586 57.412 3.367 -9.538 1.00 0.00 N ATOM 0 H ARG A 586 63.973 2.358 -5.262 1.00 0.00 H new ATOM 0 HA ARG A 586 62.036 3.441 -4.972 1.00 0.00 H new ATOM 0 HB2 ARG A 586 61.297 1.139 -6.821 1.00 0.00 H new ATOM 0 HB3 ARG A 586 60.073 2.295 -6.337 1.00 0.00 H new ATOM 0 HG2 ARG A 586 61.500 4.175 -7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 586 62.748 3.033 -7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 586 61.464 3.472 -9.642 1.00 0.00 H new ATOM 0 HD3 ARG A 586 61.020 1.860 -9.118 1.00 0.00 H new ATOM 0 HE ARG A 586 59.269 3.918 -7.982 1.00 0.00 H new ATOM 0 HH11 ARG A 586 59.926 1.885 -10.813 1.00 0.00 H new ATOM 0 HH12 ARG A 586 58.252 1.941 -11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 586 57.152 3.955 -8.746 1.00 0.00 H new ATOM 0 HH22 ARG A 586 56.708 3.095 -10.224 1.00 0.00 H new ATOM 1064 N THR A 587 61.540 1.972 -2.766 1.00 0.00 N ATOM 1065 CA THR A 587 60.845 1.453 -1.591 1.00 0.00 C ATOM 1066 C THR A 587 61.295 2.194 -0.336 1.00 0.00 C ATOM 1067 O THR A 587 62.461 2.573 -0.214 1.00 0.00 O ATOM 1068 CB THR A 587 61.125 -0.044 -1.434 1.00 0.00 C ATOM 1069 OG1 THR A 587 62.515 -0.284 -1.601 1.00 0.00 O ATOM 1070 CG2 THR A 587 60.338 -0.829 -2.486 1.00 0.00 C ATOM 0 H THR A 587 62.432 2.424 -2.567 1.00 0.00 H new ATOM 0 HA THR A 587 59.774 1.606 -1.727 1.00 0.00 H new ATOM 0 HB THR A 587 60.817 -0.368 -0.440 1.00 0.00 H new ATOM 0 HG1 THR A 587 62.650 -1.181 -1.971 1.00 0.00 H new ATOM 0 HG21 THR A 587 60.540 -1.894 -2.371 1.00 0.00 H new ATOM 0 HG22 THR A 587 59.272 -0.645 -2.355 1.00 0.00 H new ATOM 0 HG23 THR A 587 60.641 -0.507 -3.482 1.00 0.00 H new ATOM 1078 N GLY A 588 60.363 2.398 0.595 1.00 0.00 N ATOM 1079 CA GLY A 588 60.670 3.107 1.833 1.00 0.00 C ATOM 1080 C GLY A 588 60.939 4.584 1.563 1.00 0.00 C ATOM 1081 O GLY A 588 62.091 4.995 1.411 1.00 0.00 O ATOM 0 H GLY A 588 59.396 2.084 0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 588 59.838 3.006 2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 588 61.541 2.656 2.309 1.00 0.00 H new ATOM 1085 N ARG A 589 59.869 5.376 1.503 1.00 0.00 N ATOM 1086 CA ARG A 589 59.996 6.805 1.232 1.00 0.00 C ATOM 1087 C ARG A 589 58.894 7.584 1.943 1.00 0.00 C ATOM 1088 O ARG A 589 59.145 8.719 2.317 1.00 0.00 O ATOM 1089 CB ARG A 589 59.912 7.062 -0.274 1.00 0.00 C ATOM 1090 CG ARG A 589 61.094 6.392 -0.978 1.00 0.00 C ATOM 1091 CD ARG A 589 61.088 6.771 -2.460 1.00 0.00 C ATOM 1092 NE ARG A 589 62.070 5.972 -3.194 1.00 0.00 N ATOM 1093 CZ ARG A 589 62.448 6.271 -4.446 1.00 0.00 C ATOM 1094 NH1 ARG A 589 61.952 7.307 -5.080 1.00 0.00 N ATOM 1095 NH2 ARG A 589 63.328 5.518 -5.045 1.00 0.00 N ATOM 1096 OXT ARG A 589 57.817 7.035 2.105 1.00 0.00 O ATOM 0 H ARG A 589 58.911 5.054 1.638 1.00 0.00 H new ATOM 0 HA ARG A 589 60.964 7.141 1.604 1.00 0.00 H new ATOM 0 HB2 ARG A 589 58.973 6.672 -0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 589 59.919 8.134 -0.471 1.00 0.00 H new ATOM 0 HG2 ARG A 589 62.030 6.704 -0.516 1.00 0.00 H new ATOM 0 HG3 ARG A 589 61.030 5.309 -0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 589 60.094 6.612 -2.879 1.00 0.00 H new ATOM 0 HD3 ARG A 589 61.315 7.831 -2.572 1.00 0.00 H new ATOM 0 HE ARG A 589 62.482 5.158 -2.737 1.00 0.00 H new ATOM 0 HH11 ARG A 589 61.264 7.904 -4.621 1.00 0.00 H new ATOM 0 HH12 ARG A 589 62.254 7.515 -6.032 1.00 0.00 H new ATOM 0 HH21 ARG A 589 63.722 4.711 -4.562 1.00 0.00 H new ATOM 0 HH22 ARG A 589 63.622 5.736 -5.997 1.00 0.00 H new TER 1110 ARG A 589