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 523 SER OG : rot 79:sc= 0.988 USER MOD Set 1.2: A 524 ASN : amide:sc= 0.626 K(o=1.6,f=-4.6!) USER MOD Single : A 519 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 522 THR OG1 : rot 180:sc= 0 USER MOD Single : A 526 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 530 THR OG1 : rot 180:sc= 0 USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 532 GLN : amide:sc= 0.319 X(o=0.32,f=-0.051) USER MOD Single : A 535 MET CE :methyl -136:sc= -3.33 (180deg=-8.92!) USER MOD Single : A 536 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 544 MET CE :methyl 163:sc= -0.0358 (180deg=-0.316) USER MOD Single : A 545 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 549 MET CE :methyl -178:sc= -5.01! (180deg=-5.08!) USER MOD Single : A 550 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 554 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 555 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.15) USER MOD Single : A 557 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 559 ASN : amide:sc= -0.484 K(o=-0.48,f=-4.8!) USER MOD Single : A 564 GLN : amide:sc= -0.0607 K(o=-0.061,f=-1.1) USER MOD Single : A 566 HIS : no HE2:sc= -5.52! C(o=-5.5!,f=-9.7!) USER MOD Single : A 567 MET CE :methyl -141:sc= -0.281 (180deg=-1.69!) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 ASN : amide:sc= -1.45 K(o=-1.5,f=-2) USER MOD Single : A 574 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.00765) USER MOD Single : A 575 LYS NZ :NH3+ -136:sc= 1.26 (180deg=-0.748) USER MOD Single : A 577 GLN : amide:sc= -3.85 X(o=-3.9,f=-3.9!) USER MOD Single : A 578 THR OG1 : rot 80:sc= 1.07 USER MOD Single : A 587 THR OG1 : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 519 75.445 -0.358 18.965 1.00 0.00 N ATOM 2 CA GLN A 519 75.798 0.084 17.619 1.00 0.00 C ATOM 3 C GLN A 519 75.878 -1.115 16.667 1.00 0.00 C ATOM 4 O GLN A 519 76.437 -2.154 17.028 1.00 0.00 O ATOM 5 CB GLN A 519 77.147 0.809 17.648 1.00 0.00 C ATOM 6 CG GLN A 519 77.241 1.770 16.461 1.00 0.00 C ATOM 7 CD GLN A 519 78.433 2.704 16.640 1.00 0.00 C ATOM 8 OE1 GLN A 519 79.485 2.284 17.121 1.00 0.00 O ATOM 9 NE2 GLN A 519 78.331 3.954 16.279 1.00 0.00 N ATOM 0 HA GLN A 519 75.027 0.766 17.262 1.00 0.00 H new ATOM 0 HB2 GLN A 519 77.255 1.359 18.583 1.00 0.00 H new ATOM 0 HB3 GLN A 519 77.961 0.085 17.608 1.00 0.00 H new ATOM 0 HG2 GLN A 519 77.346 1.207 15.534 1.00 0.00 H new ATOM 0 HG3 GLN A 519 76.322 2.351 16.379 1.00 0.00 H new ATOM 0 HE21 GLN A 519 77.458 4.300 15.881 1.00 0.00 H new ATOM 0 HE22 GLN A 519 79.124 4.585 16.395 1.00 0.00 H new ATOM 18 N PRO A 520 75.338 -1.002 15.466 1.00 0.00 N ATOM 19 CA PRO A 520 75.335 -2.140 14.497 1.00 0.00 C ATOM 20 C PRO A 520 76.719 -2.392 13.902 1.00 0.00 C ATOM 21 O PRO A 520 77.615 -1.557 14.021 1.00 0.00 O ATOM 22 CB PRO A 520 74.345 -1.701 13.417 1.00 0.00 C ATOM 23 CG PRO A 520 74.376 -0.212 13.440 1.00 0.00 C ATOM 24 CD PRO A 520 74.701 0.197 14.877 1.00 0.00 C ATOM 0 HA PRO A 520 75.057 -3.080 14.973 1.00 0.00 H new ATOM 0 HB2 PRO A 520 74.633 -2.086 12.439 1.00 0.00 H new ATOM 0 HB3 PRO A 520 73.343 -2.077 13.625 1.00 0.00 H new ATOM 0 HG2 PRO A 520 75.127 0.170 12.749 1.00 0.00 H new ATOM 0 HG3 PRO A 520 73.417 0.200 13.128 1.00 0.00 H new ATOM 0 HD2 PRO A 520 75.371 1.056 14.904 1.00 0.00 H new ATOM 0 HD3 PRO A 520 73.801 0.478 15.424 1.00 0.00 H new ATOM 32 N GLY A 521 76.881 -3.550 13.262 1.00 0.00 N ATOM 33 CA GLY A 521 78.160 -3.909 12.656 1.00 0.00 C ATOM 34 C GLY A 521 78.449 -3.040 11.436 1.00 0.00 C ATOM 35 O GLY A 521 77.640 -2.187 11.067 1.00 0.00 O ATOM 0 H GLY A 521 76.147 -4.250 13.151 1.00 0.00 H new ATOM 0 HA2 GLY A 521 78.959 -3.792 13.388 1.00 0.00 H new ATOM 0 HA3 GLY A 521 78.146 -4.959 12.364 1.00 0.00 H new ATOM 39 N THR A 522 79.607 -3.264 10.816 1.00 0.00 N ATOM 40 CA THR A 522 80.011 -2.474 9.655 1.00 0.00 C ATOM 41 C THR A 522 79.481 -3.093 8.362 1.00 0.00 C ATOM 42 O THR A 522 79.157 -2.376 7.414 1.00 0.00 O ATOM 43 CB THR A 522 81.538 -2.384 9.590 1.00 0.00 C ATOM 44 OG1 THR A 522 82.083 -3.692 9.481 1.00 0.00 O ATOM 45 CG2 THR A 522 82.068 -1.712 10.859 1.00 0.00 C ATOM 0 H THR A 522 80.277 -3.980 11.096 1.00 0.00 H new ATOM 0 HA THR A 522 79.589 -1.474 9.761 1.00 0.00 H new ATOM 0 HB THR A 522 81.830 -1.794 8.722 1.00 0.00 H new ATOM 0 HG1 THR A 522 83.060 -3.637 9.437 1.00 0.00 H new ATOM 0 HG21 THR A 522 83.155 -1.649 10.811 1.00 0.00 H new ATOM 0 HG22 THR A 522 81.650 -0.709 10.941 1.00 0.00 H new ATOM 0 HG23 THR A 522 81.777 -2.299 11.730 1.00 0.00 H new ATOM 53 N SER A 523 79.395 -4.424 8.330 1.00 0.00 N ATOM 54 CA SER A 523 78.939 -5.128 7.131 1.00 0.00 C ATOM 55 C SER A 523 77.474 -4.810 6.835 1.00 0.00 C ATOM 56 O SER A 523 77.090 -4.646 5.676 1.00 0.00 O ATOM 57 CB SER A 523 79.106 -6.637 7.315 1.00 0.00 C ATOM 58 OG SER A 523 78.201 -7.091 8.314 1.00 0.00 O ATOM 0 H SER A 523 79.633 -5.032 9.114 1.00 0.00 H new ATOM 0 HA SER A 523 79.546 -4.793 6.290 1.00 0.00 H new ATOM 0 HB2 SER A 523 78.916 -7.153 6.374 1.00 0.00 H new ATOM 0 HB3 SER A 523 80.131 -6.869 7.604 1.00 0.00 H new ATOM 0 HG SER A 523 77.305 -7.182 7.927 1.00 0.00 H new ATOM 64 N ASN A 524 76.664 -4.716 7.890 1.00 0.00 N ATOM 65 CA ASN A 524 75.243 -4.411 7.737 1.00 0.00 C ATOM 66 C ASN A 524 74.942 -3.006 8.246 1.00 0.00 C ATOM 67 O ASN A 524 75.172 -2.698 9.417 1.00 0.00 O ATOM 68 CB ASN A 524 74.406 -5.427 8.516 1.00 0.00 C ATOM 69 CG ASN A 524 74.511 -6.802 7.863 1.00 0.00 C ATOM 70 OD1 ASN A 524 75.571 -7.170 7.354 1.00 0.00 O ATOM 71 ND2 ASN A 524 73.470 -7.589 7.846 1.00 0.00 N ATOM 0 H ASN A 524 76.967 -4.846 8.855 1.00 0.00 H new ATOM 0 HA ASN A 524 74.989 -4.465 6.678 1.00 0.00 H new ATOM 0 HB2 ASN A 524 74.751 -5.479 9.549 1.00 0.00 H new ATOM 0 HB3 ASN A 524 73.364 -5.107 8.543 1.00 0.00 H new ATOM 0 HD21 ASN A 524 73.534 -8.509 7.411 1.00 0.00 H new ATOM 0 HD22 ASN A 524 72.593 -7.284 8.268 1.00 0.00 H new ATOM 78 N GLU A 525 74.424 -2.154 7.357 1.00 0.00 N ATOM 79 CA GLU A 525 74.133 -0.767 7.717 1.00 0.00 C ATOM 80 C GLU A 525 73.356 -0.070 6.600 1.00 0.00 C ATOM 81 O GLU A 525 73.431 -0.468 5.437 1.00 0.00 O ATOM 82 CB GLU A 525 75.443 -0.015 7.980 1.00 0.00 C ATOM 83 CG GLU A 525 75.145 1.324 8.660 1.00 0.00 C ATOM 84 CD GLU A 525 76.450 2.038 9.003 1.00 0.00 C ATOM 85 OE1 GLU A 525 77.339 2.039 8.168 1.00 0.00 O ATOM 86 OE2 GLU A 525 76.538 2.573 10.096 1.00 0.00 O ATOM 0 H GLU A 525 74.200 -2.399 6.392 1.00 0.00 H new ATOM 0 HA GLU A 525 73.522 -0.765 8.620 1.00 0.00 H new ATOM 0 HB2 GLU A 525 76.098 -0.616 8.611 1.00 0.00 H new ATOM 0 HB3 GLU A 525 75.971 0.153 7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 525 74.541 1.949 8.002 1.00 0.00 H new ATOM 0 HG3 GLU A 525 74.562 1.159 9.566 1.00 0.00 H new ATOM 93 N THR A 526 72.634 0.996 6.963 1.00 0.00 N ATOM 94 CA THR A 526 71.890 1.815 5.992 1.00 0.00 C ATOM 95 C THR A 526 71.013 0.961 5.064 1.00 0.00 C ATOM 96 O THR A 526 70.930 -0.258 5.223 1.00 0.00 O ATOM 97 CB THR A 526 72.865 2.667 5.153 1.00 0.00 C ATOM 98 OG1 THR A 526 74.110 1.997 5.019 1.00 0.00 O ATOM 99 CG2 THR A 526 73.090 4.019 5.836 1.00 0.00 C ATOM 0 H THR A 526 72.547 1.315 7.928 1.00 0.00 H new ATOM 0 HA THR A 526 71.229 2.468 6.562 1.00 0.00 H new ATOM 0 HB THR A 526 72.433 2.823 4.165 1.00 0.00 H new ATOM 0 HG1 THR A 526 74.721 2.545 4.484 1.00 0.00 H new ATOM 0 HG21 THR A 526 73.779 4.617 5.240 1.00 0.00 H new ATOM 0 HG22 THR A 526 72.139 4.544 5.927 1.00 0.00 H new ATOM 0 HG23 THR A 526 73.512 3.860 6.828 1.00 0.00 H new ATOM 107 N PRO A 527 70.298 1.592 4.147 1.00 0.00 N ATOM 108 CA PRO A 527 69.643 0.867 3.011 1.00 0.00 C ATOM 109 C PRO A 527 70.594 -0.090 2.284 1.00 0.00 C ATOM 110 O PRO A 527 70.153 -1.047 1.643 1.00 0.00 O ATOM 111 CB PRO A 527 69.191 1.992 2.085 1.00 0.00 C ATOM 112 CG PRO A 527 68.917 3.147 2.986 1.00 0.00 C ATOM 113 CD PRO A 527 69.861 3.007 4.183 1.00 0.00 C ATOM 0 HA PRO A 527 68.829 0.229 3.356 1.00 0.00 H new ATOM 0 HB2 PRO A 527 69.962 2.236 1.354 1.00 0.00 H new ATOM 0 HB3 PRO A 527 68.300 1.708 1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 527 69.087 4.091 2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 527 67.877 3.145 3.312 1.00 0.00 H new ATOM 0 HD2 PRO A 527 70.709 3.687 4.101 1.00 0.00 H new ATOM 0 HD3 PRO A 527 69.353 3.242 5.119 1.00 0.00 H new ATOM 121 N GLU A 528 71.900 0.159 2.405 1.00 0.00 N ATOM 122 CA GLU A 528 72.903 -0.786 1.904 1.00 0.00 C ATOM 123 C GLU A 528 72.698 -2.173 2.526 1.00 0.00 C ATOM 124 O GLU A 528 73.003 -3.192 1.903 1.00 0.00 O ATOM 125 CB GLU A 528 74.313 -0.278 2.227 1.00 0.00 C ATOM 126 CG GLU A 528 75.348 -1.108 1.463 1.00 0.00 C ATOM 127 CD GLU A 528 76.756 -0.701 1.883 1.00 0.00 C ATOM 128 OE1 GLU A 528 77.129 0.430 1.618 1.00 0.00 O ATOM 129 OE2 GLU A 528 77.442 -1.526 2.465 1.00 0.00 O ATOM 0 H GLU A 528 72.286 0.997 2.840 1.00 0.00 H new ATOM 0 HA GLU A 528 72.788 -0.867 0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 528 74.403 0.773 1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 528 74.498 -0.346 3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 528 75.193 -2.169 1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 528 75.223 -0.962 0.390 1.00 0.00 H new ATOM 136 N GLU A 529 72.123 -2.206 3.732 1.00 0.00 N ATOM 137 CA GLU A 529 71.812 -3.470 4.391 1.00 0.00 C ATOM 138 C GLU A 529 70.725 -4.213 3.615 1.00 0.00 C ATOM 139 O GLU A 529 70.799 -5.429 3.430 1.00 0.00 O ATOM 140 CB GLU A 529 71.328 -3.208 5.821 1.00 0.00 C ATOM 141 CG GLU A 529 71.318 -4.519 6.610 1.00 0.00 C ATOM 142 CD GLU A 529 70.632 -4.316 7.957 1.00 0.00 C ATOM 143 OE1 GLU A 529 69.612 -3.646 7.987 1.00 0.00 O ATOM 144 OE2 GLU A 529 71.135 -4.833 8.940 1.00 0.00 O ATOM 0 H GLU A 529 71.866 -1.376 4.266 1.00 0.00 H new ATOM 0 HA GLU A 529 72.714 -4.081 4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 529 71.980 -2.484 6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 529 70.328 -2.775 5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 529 70.799 -5.290 6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 529 72.339 -4.868 6.762 1.00 0.00 H new ATOM 151 N THR A 530 69.730 -3.463 3.133 1.00 0.00 N ATOM 152 CA THR A 530 68.644 -4.047 2.343 1.00 0.00 C ATOM 153 C THR A 530 69.190 -4.720 1.085 1.00 0.00 C ATOM 154 O THR A 530 68.804 -5.842 0.756 1.00 0.00 O ATOM 155 CB THR A 530 67.638 -2.958 1.948 1.00 0.00 C ATOM 156 OG1 THR A 530 67.273 -2.214 3.102 1.00 0.00 O ATOM 157 CG2 THR A 530 66.389 -3.601 1.338 1.00 0.00 C ATOM 0 H THR A 530 69.654 -2.456 3.275 1.00 0.00 H new ATOM 0 HA THR A 530 68.145 -4.800 2.953 1.00 0.00 H new ATOM 0 HB THR A 530 68.094 -2.295 1.213 1.00 0.00 H new ATOM 0 HG1 THR A 530 66.632 -1.516 2.852 1.00 0.00 H new ATOM 0 HG21 THR A 530 65.678 -2.823 1.060 1.00 0.00 H new ATOM 0 HG22 THR A 530 66.669 -4.171 0.452 1.00 0.00 H new ATOM 0 HG23 THR A 530 65.930 -4.268 2.068 1.00 0.00 H new ATOM 165 N TYR A 531 70.105 -4.036 0.395 1.00 0.00 N ATOM 166 CA TYR A 531 70.709 -4.580 -0.822 1.00 0.00 C ATOM 167 C TYR A 531 71.388 -5.925 -0.552 1.00 0.00 C ATOM 168 O TYR A 531 71.201 -6.879 -1.306 1.00 0.00 O ATOM 169 CB TYR A 531 71.730 -3.590 -1.391 1.00 0.00 C ATOM 170 CG TYR A 531 71.109 -2.505 -2.241 1.00 0.00 C ATOM 171 CD1 TYR A 531 70.267 -1.533 -1.647 1.00 0.00 C ATOM 172 CD2 TYR A 531 71.371 -2.461 -3.633 1.00 0.00 C ATOM 173 CE1 TYR A 531 69.687 -0.517 -2.445 1.00 0.00 C ATOM 174 CE2 TYR A 531 70.790 -1.445 -4.430 1.00 0.00 C ATOM 175 CZ TYR A 531 69.948 -0.473 -3.837 1.00 0.00 C ATOM 176 OH TYR A 531 69.383 0.517 -4.614 1.00 0.00 O ATOM 0 H TYR A 531 70.442 -3.110 0.657 1.00 0.00 H new ATOM 0 HA TYR A 531 69.913 -4.739 -1.549 1.00 0.00 H new ATOM 0 HB2 TYR A 531 72.275 -3.128 -0.567 1.00 0.00 H new ATOM 0 HB3 TYR A 531 72.460 -4.136 -1.989 1.00 0.00 H new ATOM 0 HD1 TYR A 531 70.067 -1.567 -0.586 1.00 0.00 H new ATOM 0 HD2 TYR A 531 72.013 -3.202 -4.086 1.00 0.00 H new ATOM 0 HE1 TYR A 531 69.045 0.225 -1.992 1.00 0.00 H new ATOM 0 HE2 TYR A 531 70.989 -1.411 -5.491 1.00 0.00 H new ATOM 0 HH TYR A 531 69.665 0.403 -5.546 1.00 0.00 H new ATOM 186 N GLN A 532 72.153 -6.006 0.538 1.00 0.00 N ATOM 187 CA GLN A 532 72.841 -7.252 0.894 1.00 0.00 C ATOM 188 C GLN A 532 71.847 -8.403 1.078 1.00 0.00 C ATOM 189 O GLN A 532 72.019 -9.483 0.503 1.00 0.00 O ATOM 190 CB GLN A 532 73.642 -7.062 2.183 1.00 0.00 C ATOM 191 CG GLN A 532 74.775 -6.063 1.939 1.00 0.00 C ATOM 192 CD GLN A 532 75.629 -5.930 3.194 1.00 0.00 C ATOM 193 OE1 GLN A 532 76.854 -6.038 3.128 1.00 0.00 O ATOM 194 NE2 GLN A 532 75.054 -5.703 4.343 1.00 0.00 N ATOM 0 H GLN A 532 72.312 -5.233 1.185 1.00 0.00 H new ATOM 0 HA GLN A 532 73.516 -7.504 0.076 1.00 0.00 H new ATOM 0 HB2 GLN A 532 72.990 -6.701 2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 532 74.050 -8.017 2.514 1.00 0.00 H new ATOM 0 HG2 GLN A 532 75.391 -6.395 1.103 1.00 0.00 H new ATOM 0 HG3 GLN A 532 74.363 -5.092 1.665 1.00 0.00 H new ATOM 0 HE21 GLN A 532 74.039 -5.614 4.397 1.00 0.00 H new ATOM 0 HE22 GLN A 532 75.619 -5.615 5.188 1.00 0.00 H new ATOM 203 N ARG A 533 70.767 -8.149 1.819 1.00 0.00 N ATOM 204 CA ARG A 533 69.772 -9.191 2.088 1.00 0.00 C ATOM 205 C ARG A 533 69.204 -9.732 0.779 1.00 0.00 C ATOM 206 O ARG A 533 69.224 -10.940 0.537 1.00 0.00 O ATOM 207 CB ARG A 533 68.639 -8.628 2.951 1.00 0.00 C ATOM 208 CG ARG A 533 67.781 -9.778 3.485 1.00 0.00 C ATOM 209 CD ARG A 533 66.703 -9.222 4.416 1.00 0.00 C ATOM 210 NE ARG A 533 65.701 -8.483 3.646 1.00 0.00 N ATOM 211 CZ ARG A 533 64.774 -9.099 2.897 1.00 0.00 C ATOM 212 NH1 ARG A 533 64.719 -10.408 2.818 1.00 0.00 N ATOM 213 NH2 ARG A 533 63.908 -8.382 2.234 1.00 0.00 N ATOM 0 H ARG A 533 70.559 -7.243 2.239 1.00 0.00 H new ATOM 0 HA ARG A 533 70.259 -10.005 2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 533 69.051 -8.053 3.780 1.00 0.00 H new ATOM 0 HB3 ARG A 533 68.025 -7.945 2.363 1.00 0.00 H new ATOM 0 HG2 ARG A 533 67.319 -10.316 2.657 1.00 0.00 H new ATOM 0 HG3 ARG A 533 68.405 -10.493 4.021 1.00 0.00 H new ATOM 0 HD2 ARG A 533 66.226 -10.038 4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 533 67.157 -8.567 5.159 1.00 0.00 H new ATOM 0 HE ARG A 533 65.708 -7.464 3.680 1.00 0.00 H new ATOM 0 HH11 ARG A 533 65.390 -10.979 3.332 1.00 0.00 H new ATOM 0 HH12 ARG A 533 64.005 -10.855 2.242 1.00 0.00 H new ATOM 0 HH21 ARG A 533 63.940 -7.364 2.289 1.00 0.00 H new ATOM 0 HH22 ARG A 533 63.199 -8.840 1.661 1.00 0.00 H new ATOM 227 N ALA A 534 68.819 -8.820 -0.114 1.00 0.00 N ATOM 228 CA ALA A 534 68.284 -9.207 -1.420 1.00 0.00 C ATOM 229 C ALA A 534 69.330 -9.975 -2.232 1.00 0.00 C ATOM 230 O ALA A 534 68.998 -10.914 -2.956 1.00 0.00 O ATOM 231 CB ALA A 534 67.859 -7.959 -2.198 1.00 0.00 C ATOM 0 H ALA A 534 68.867 -7.813 0.042 1.00 0.00 H new ATOM 0 HA ALA A 534 67.422 -9.853 -1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 534 67.462 -8.254 -3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 534 67.091 -7.425 -1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 534 68.722 -7.308 -2.341 1.00 0.00 H new ATOM 237 N MET A 535 70.594 -9.578 -2.083 1.00 0.00 N ATOM 238 CA MET A 535 71.689 -10.195 -2.836 1.00 0.00 C ATOM 239 C MET A 535 71.811 -11.689 -2.519 1.00 0.00 C ATOM 240 O MET A 535 72.294 -12.462 -3.348 1.00 0.00 O ATOM 241 CB MET A 535 73.012 -9.486 -2.508 1.00 0.00 C ATOM 242 CG MET A 535 73.925 -9.480 -3.746 1.00 0.00 C ATOM 243 SD MET A 535 73.724 -7.926 -4.658 1.00 0.00 S ATOM 244 CE MET A 535 72.286 -8.418 -5.642 1.00 0.00 C ATOM 0 H MET A 535 70.886 -8.834 -1.450 1.00 0.00 H new ATOM 0 HA MET A 535 71.469 -10.090 -3.898 1.00 0.00 H new ATOM 0 HB2 MET A 535 72.816 -8.464 -2.185 1.00 0.00 H new ATOM 0 HB3 MET A 535 73.510 -9.992 -1.681 1.00 0.00 H new ATOM 0 HG2 MET A 535 74.965 -9.601 -3.442 1.00 0.00 H new ATOM 0 HG3 MET A 535 73.682 -10.324 -4.391 1.00 0.00 H new ATOM 0 HE1 MET A 535 72.424 -8.096 -6.674 1.00 0.00 H new ATOM 0 HE2 MET A 535 72.178 -9.502 -5.611 1.00 0.00 H new ATOM 0 HE3 MET A 535 71.389 -7.952 -5.234 1.00 0.00 H new ATOM 254 N LYS A 536 71.376 -12.088 -1.322 1.00 0.00 N ATOM 255 CA LYS A 536 71.376 -13.501 -0.952 1.00 0.00 C ATOM 256 C LYS A 536 70.241 -14.254 -1.651 1.00 0.00 C ATOM 257 O LYS A 536 70.316 -15.472 -1.826 1.00 0.00 O ATOM 258 CB LYS A 536 71.236 -13.648 0.564 1.00 0.00 C ATOM 259 CG LYS A 536 72.470 -13.060 1.252 1.00 0.00 C ATOM 260 CD LYS A 536 72.390 -13.323 2.757 1.00 0.00 C ATOM 261 CE LYS A 536 73.568 -12.644 3.457 1.00 0.00 C ATOM 262 NZ LYS A 536 73.629 -13.094 4.877 1.00 0.00 N ATOM 0 H LYS A 536 71.023 -11.459 -0.601 1.00 0.00 H new ATOM 0 HA LYS A 536 72.324 -13.933 -1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 536 70.337 -13.136 0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 536 71.126 -14.699 0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 536 73.376 -13.507 0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 536 72.529 -11.988 1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 536 71.449 -12.942 3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 536 72.407 -14.395 2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 536 74.499 -12.890 2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 536 73.456 -11.561 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 536 74.430 -12.632 5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 536 72.745 -12.838 5.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 536 73.755 -14.126 4.909 1.00 0.00 H new ATOM 276 N ASP A 537 69.194 -13.528 -2.046 1.00 0.00 N ATOM 277 CA ASP A 537 68.075 -14.135 -2.762 1.00 0.00 C ATOM 278 C ASP A 537 68.452 -14.373 -4.231 1.00 0.00 C ATOM 279 O ASP A 537 68.752 -13.419 -4.951 1.00 0.00 O ATOM 280 CB ASP A 537 66.852 -13.213 -2.686 1.00 0.00 C ATOM 281 CG ASP A 537 65.558 -13.993 -2.941 1.00 0.00 C ATOM 282 OD1 ASP A 537 65.608 -15.214 -2.979 1.00 0.00 O ATOM 283 OD2 ASP A 537 64.531 -13.353 -3.094 1.00 0.00 O ATOM 0 H ASP A 537 69.099 -12.526 -1.883 1.00 0.00 H new ATOM 0 HA ASP A 537 67.837 -15.092 -2.299 1.00 0.00 H new ATOM 0 HB2 ASP A 537 66.809 -12.741 -1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 537 66.949 -12.413 -3.420 1.00 0.00 H new ATOM 288 N PRO A 538 68.432 -15.610 -4.696 1.00 0.00 N ATOM 289 CA PRO A 538 69.074 -15.969 -6.004 1.00 0.00 C ATOM 290 C PRO A 538 68.519 -15.161 -7.177 1.00 0.00 C ATOM 291 O PRO A 538 69.264 -14.795 -8.087 1.00 0.00 O ATOM 292 CB PRO A 538 68.775 -17.464 -6.186 1.00 0.00 C ATOM 293 CG PRO A 538 68.391 -17.969 -4.839 1.00 0.00 C ATOM 294 CD PRO A 538 67.778 -16.789 -4.093 1.00 0.00 C ATOM 0 HA PRO A 538 70.141 -15.746 -5.989 1.00 0.00 H new ATOM 0 HB2 PRO A 538 67.970 -17.617 -6.905 1.00 0.00 H new ATOM 0 HB3 PRO A 538 69.648 -17.994 -6.568 1.00 0.00 H new ATOM 0 HG2 PRO A 538 67.678 -18.789 -4.921 1.00 0.00 H new ATOM 0 HG3 PRO A 538 69.261 -18.355 -4.307 1.00 0.00 H new ATOM 0 HD2 PRO A 538 66.696 -16.754 -4.220 1.00 0.00 H new ATOM 0 HD3 PRO A 538 67.971 -16.849 -3.022 1.00 0.00 H new ATOM 302 N GLU A 539 67.225 -14.839 -7.129 1.00 0.00 N ATOM 303 CA GLU A 539 66.583 -14.149 -8.248 1.00 0.00 C ATOM 304 C GLU A 539 67.132 -12.733 -8.367 1.00 0.00 C ATOM 305 O GLU A 539 67.454 -12.272 -9.461 1.00 0.00 O ATOM 306 CB GLU A 539 65.063 -14.090 -8.059 1.00 0.00 C ATOM 307 CG GLU A 539 64.513 -15.500 -7.825 1.00 0.00 C ATOM 308 CD GLU A 539 62.989 -15.460 -7.757 1.00 0.00 C ATOM 309 OE1 GLU A 539 62.473 -15.056 -6.728 1.00 0.00 O ATOM 310 OE2 GLU A 539 62.362 -15.834 -8.733 1.00 0.00 O ATOM 0 H GLU A 539 66.610 -15.041 -6.341 1.00 0.00 H new ATOM 0 HA GLU A 539 66.799 -14.707 -9.159 1.00 0.00 H new ATOM 0 HB2 GLU A 539 64.817 -13.449 -7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 539 64.595 -13.649 -8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 539 64.832 -16.162 -8.630 1.00 0.00 H new ATOM 0 HG3 GLU A 539 64.916 -15.908 -6.898 1.00 0.00 H new ATOM 317 N VAL A 540 67.314 -12.078 -7.223 1.00 0.00 N ATOM 318 CA VAL A 540 67.843 -10.716 -7.202 1.00 0.00 C ATOM 319 C VAL A 540 69.267 -10.688 -7.755 1.00 0.00 C ATOM 320 O VAL A 540 69.590 -9.863 -8.606 1.00 0.00 O ATOM 321 CB VAL A 540 67.840 -10.174 -5.768 1.00 0.00 C ATOM 322 CG1 VAL A 540 68.305 -8.715 -5.756 1.00 0.00 C ATOM 323 CG2 VAL A 540 66.427 -10.260 -5.182 1.00 0.00 C ATOM 0 H VAL A 540 67.104 -12.465 -6.303 1.00 0.00 H new ATOM 0 HA VAL A 540 67.207 -10.089 -7.828 1.00 0.00 H new ATOM 0 HB VAL A 540 68.522 -10.774 -5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 540 68.299 -8.340 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 540 69.315 -8.652 -6.160 1.00 0.00 H new ATOM 0 HG13 VAL A 540 67.632 -8.114 -6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 540 66.432 -9.873 -4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 540 65.744 -9.669 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 540 66.099 -11.299 -5.174 1.00 0.00 H new ATOM 333 N ALA A 541 70.106 -11.604 -7.279 1.00 0.00 N ATOM 334 CA ALA A 541 71.518 -11.619 -7.670 1.00 0.00 C ATOM 335 C ALA A 541 71.648 -11.706 -9.188 1.00 0.00 C ATOM 336 O ALA A 541 72.302 -10.876 -9.824 1.00 0.00 O ATOM 337 CB ALA A 541 72.218 -12.824 -7.028 1.00 0.00 C ATOM 0 H ALA A 541 69.838 -12.341 -6.627 1.00 0.00 H new ATOM 0 HA ALA A 541 71.986 -10.696 -7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 541 73.268 -12.833 -7.320 1.00 0.00 H new ATOM 0 HB2 ALA A 541 72.144 -12.752 -5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 541 71.740 -13.744 -7.364 1.00 0.00 H new ATOM 343 N ALA A 542 70.928 -12.660 -9.765 1.00 0.00 N ATOM 344 CA ALA A 542 71.041 -12.943 -11.197 1.00 0.00 C ATOM 345 C ALA A 542 70.606 -11.742 -12.035 1.00 0.00 C ATOM 346 O ALA A 542 71.262 -11.392 -13.017 1.00 0.00 O ATOM 347 CB ALA A 542 70.180 -14.155 -11.561 1.00 0.00 C ATOM 0 H ALA A 542 70.261 -13.251 -9.269 1.00 0.00 H new ATOM 0 HA ALA A 542 72.088 -13.155 -11.414 1.00 0.00 H new ATOM 0 HB1 ALA A 542 70.270 -14.358 -12.628 1.00 0.00 H new ATOM 0 HB2 ALA A 542 70.518 -15.024 -10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 542 69.138 -13.947 -11.318 1.00 0.00 H new ATOM 353 N ILE A 543 69.501 -11.118 -11.641 1.00 0.00 N ATOM 354 CA ILE A 543 68.941 -9.997 -12.396 1.00 0.00 C ATOM 355 C ILE A 543 69.847 -8.761 -12.296 1.00 0.00 C ATOM 356 O ILE A 543 70.183 -8.150 -13.312 1.00 0.00 O ATOM 357 CB ILE A 543 67.531 -9.688 -11.856 1.00 0.00 C ATOM 358 CG1 ILE A 543 66.652 -10.937 -12.008 1.00 0.00 C ATOM 359 CG2 ILE A 543 66.894 -8.535 -12.641 1.00 0.00 C ATOM 360 CD1 ILE A 543 65.334 -10.742 -11.254 1.00 0.00 C ATOM 0 H ILE A 543 68.974 -11.367 -10.804 1.00 0.00 H new ATOM 0 HA ILE A 543 68.876 -10.267 -13.450 1.00 0.00 H new ATOM 0 HB ILE A 543 67.611 -9.402 -10.807 1.00 0.00 H new ATOM 0 HG12 ILE A 543 66.453 -11.126 -13.063 1.00 0.00 H new ATOM 0 HG13 ILE A 543 67.176 -11.811 -11.621 1.00 0.00 H new ATOM 0 HG21 ILE A 543 65.899 -8.331 -12.245 1.00 0.00 H new ATOM 0 HG22 ILE A 543 67.513 -7.643 -12.544 1.00 0.00 H new ATOM 0 HG23 ILE A 543 66.817 -8.810 -13.693 1.00 0.00 H new ATOM 0 HD11 ILE A 543 64.715 -11.632 -11.366 1.00 0.00 H new ATOM 0 HD12 ILE A 543 65.541 -10.575 -10.197 1.00 0.00 H new ATOM 0 HD13 ILE A 543 64.806 -9.880 -11.661 1.00 0.00 H new ATOM 372 N MET A 544 70.231 -8.395 -11.072 1.00 0.00 N ATOM 373 CA MET A 544 71.036 -7.187 -10.845 1.00 0.00 C ATOM 374 C MET A 544 72.373 -7.245 -11.592 1.00 0.00 C ATOM 375 O MET A 544 72.994 -6.210 -11.836 1.00 0.00 O ATOM 376 CB MET A 544 71.292 -6.996 -9.348 1.00 0.00 C ATOM 377 CG MET A 544 69.970 -6.695 -8.640 1.00 0.00 C ATOM 378 SD MET A 544 70.301 -6.180 -6.936 1.00 0.00 S ATOM 379 CE MET A 544 70.759 -4.468 -7.304 1.00 0.00 C ATOM 0 H MET A 544 70.000 -8.913 -10.224 1.00 0.00 H new ATOM 0 HA MET A 544 70.470 -6.340 -11.232 1.00 0.00 H new ATOM 0 HB2 MET A 544 71.746 -7.894 -8.928 1.00 0.00 H new ATOM 0 HB3 MET A 544 71.996 -6.179 -9.190 1.00 0.00 H new ATOM 0 HG2 MET A 544 69.432 -5.910 -9.170 1.00 0.00 H new ATOM 0 HG3 MET A 544 69.332 -7.579 -8.647 1.00 0.00 H new ATOM 0 HE1 MET A 544 70.714 -3.875 -6.391 1.00 0.00 H new ATOM 0 HE2 MET A 544 71.772 -4.441 -7.705 1.00 0.00 H new ATOM 0 HE3 MET A 544 70.067 -4.056 -8.038 1.00 0.00 H new ATOM 389 N GLN A 545 72.811 -8.454 -11.946 1.00 0.00 N ATOM 390 CA GLN A 545 74.013 -8.613 -12.769 1.00 0.00 C ATOM 391 C GLN A 545 73.731 -8.378 -14.263 1.00 0.00 C ATOM 392 O GLN A 545 74.629 -8.531 -15.093 1.00 0.00 O ATOM 393 CB GLN A 545 74.586 -10.016 -12.577 1.00 0.00 C ATOM 394 CG GLN A 545 75.465 -10.048 -11.326 1.00 0.00 C ATOM 395 CD GLN A 545 76.101 -11.426 -11.171 1.00 0.00 C ATOM 396 OE1 GLN A 545 77.090 -11.733 -11.837 1.00 0.00 O ATOM 397 NE2 GLN A 545 75.590 -12.279 -10.326 1.00 0.00 N ATOM 0 H GLN A 545 72.358 -9.329 -11.680 1.00 0.00 H new ATOM 0 HA GLN A 545 74.732 -7.861 -12.444 1.00 0.00 H new ATOM 0 HB2 GLN A 545 73.777 -10.740 -12.483 1.00 0.00 H new ATOM 0 HB3 GLN A 545 75.170 -10.303 -13.451 1.00 0.00 H new ATOM 0 HG2 GLN A 545 76.241 -9.286 -11.397 1.00 0.00 H new ATOM 0 HG3 GLN A 545 74.867 -9.813 -10.445 1.00 0.00 H new ATOM 0 HE21 GLN A 545 74.771 -12.023 -9.775 1.00 0.00 H new ATOM 0 HE22 GLN A 545 76.010 -13.202 -10.216 1.00 0.00 H new ATOM 406 N ASP A 546 72.496 -8.010 -14.599 1.00 0.00 N ATOM 407 CA ASP A 546 72.123 -7.740 -15.990 1.00 0.00 C ATOM 408 C ASP A 546 71.919 -6.226 -16.193 1.00 0.00 C ATOM 409 O ASP A 546 71.137 -5.607 -15.470 1.00 0.00 O ATOM 410 CB ASP A 546 70.819 -8.493 -16.307 1.00 0.00 C ATOM 411 CG ASP A 546 70.743 -8.895 -17.784 1.00 0.00 C ATOM 412 OD1 ASP A 546 71.737 -8.770 -18.479 1.00 0.00 O ATOM 413 OD2 ASP A 546 69.680 -9.327 -18.198 1.00 0.00 O ATOM 0 H ASP A 546 71.736 -7.891 -13.929 1.00 0.00 H new ATOM 0 HA ASP A 546 72.915 -8.077 -16.658 1.00 0.00 H new ATOM 0 HB2 ASP A 546 70.752 -9.384 -15.683 1.00 0.00 H new ATOM 0 HB3 ASP A 546 69.965 -7.864 -16.056 1.00 0.00 H new ATOM 418 N PRO A 547 72.591 -5.620 -17.156 1.00 0.00 N ATOM 419 CA PRO A 547 72.712 -4.126 -17.226 1.00 0.00 C ATOM 420 C PRO A 547 71.408 -3.426 -17.636 1.00 0.00 C ATOM 421 O PRO A 547 71.280 -2.206 -17.491 1.00 0.00 O ATOM 422 CB PRO A 547 73.809 -3.902 -18.264 1.00 0.00 C ATOM 423 CG PRO A 547 73.716 -5.070 -19.183 1.00 0.00 C ATOM 424 CD PRO A 547 73.195 -6.246 -18.354 1.00 0.00 C ATOM 0 HA PRO A 547 72.941 -3.700 -16.249 1.00 0.00 H new ATOM 0 HB2 PRO A 547 73.659 -2.965 -18.800 1.00 0.00 H new ATOM 0 HB3 PRO A 547 74.791 -3.847 -17.794 1.00 0.00 H new ATOM 0 HG2 PRO A 547 73.044 -4.855 -20.014 1.00 0.00 H new ATOM 0 HG3 PRO A 547 74.690 -5.302 -19.613 1.00 0.00 H new ATOM 0 HD2 PRO A 547 72.460 -6.828 -18.910 1.00 0.00 H new ATOM 0 HD3 PRO A 547 74.001 -6.927 -18.082 1.00 0.00 H new ATOM 432 N VAL A 548 70.439 -4.198 -18.142 1.00 0.00 N ATOM 433 CA VAL A 548 69.177 -3.627 -18.637 1.00 0.00 C ATOM 434 C VAL A 548 68.538 -2.730 -17.572 1.00 0.00 C ATOM 435 O VAL A 548 68.128 -1.606 -17.861 1.00 0.00 O ATOM 436 CB VAL A 548 68.211 -4.765 -19.022 1.00 0.00 C ATOM 437 CG1 VAL A 548 66.794 -4.224 -19.276 1.00 0.00 C ATOM 438 CG2 VAL A 548 68.723 -5.451 -20.291 1.00 0.00 C ATOM 0 H VAL A 548 70.502 -5.213 -18.220 1.00 0.00 H new ATOM 0 HA VAL A 548 69.386 -3.018 -19.517 1.00 0.00 H new ATOM 0 HB VAL A 548 68.167 -5.476 -18.197 1.00 0.00 H new ATOM 0 HG11 VAL A 548 66.133 -5.048 -19.546 1.00 0.00 H new ATOM 0 HG12 VAL A 548 66.422 -3.741 -18.373 1.00 0.00 H new ATOM 0 HG13 VAL A 548 66.822 -3.499 -20.090 1.00 0.00 H new ATOM 0 HG21 VAL A 548 68.044 -6.257 -20.568 1.00 0.00 H new ATOM 0 HG22 VAL A 548 68.774 -4.724 -21.102 1.00 0.00 H new ATOM 0 HG23 VAL A 548 69.716 -5.861 -20.108 1.00 0.00 H new ATOM 448 N MET A 549 68.532 -3.205 -16.337 1.00 0.00 N ATOM 449 CA MET A 549 67.798 -2.523 -15.279 1.00 0.00 C ATOM 450 C MET A 549 68.429 -1.177 -14.949 1.00 0.00 C ATOM 451 O MET A 549 67.725 -0.222 -14.621 1.00 0.00 O ATOM 452 CB MET A 549 67.744 -3.393 -14.032 1.00 0.00 C ATOM 453 CG MET A 549 66.772 -4.540 -14.281 1.00 0.00 C ATOM 454 SD MET A 549 66.471 -5.402 -12.730 1.00 0.00 S ATOM 455 CE MET A 549 64.887 -4.630 -12.342 1.00 0.00 C ATOM 0 H MET A 549 69.021 -4.051 -16.043 1.00 0.00 H new ATOM 0 HA MET A 549 66.784 -2.344 -15.636 1.00 0.00 H new ATOM 0 HB2 MET A 549 68.735 -3.781 -13.798 1.00 0.00 H new ATOM 0 HB3 MET A 549 67.422 -2.804 -13.173 1.00 0.00 H new ATOM 0 HG2 MET A 549 65.835 -4.158 -14.687 1.00 0.00 H new ATOM 0 HG3 MET A 549 67.183 -5.228 -15.020 1.00 0.00 H new ATOM 0 HE1 MET A 549 64.527 -5.000 -11.382 1.00 0.00 H new ATOM 0 HE2 MET A 549 65.012 -3.549 -12.290 1.00 0.00 H new ATOM 0 HE3 MET A 549 64.163 -4.874 -13.120 1.00 0.00 H new ATOM 465 N GLN A 550 69.756 -1.093 -15.061 1.00 0.00 N ATOM 466 CA GLN A 550 70.456 0.173 -14.833 1.00 0.00 C ATOM 467 C GLN A 550 69.961 1.240 -15.810 1.00 0.00 C ATOM 468 O GLN A 550 69.679 2.372 -15.417 1.00 0.00 O ATOM 469 CB GLN A 550 71.964 -0.024 -15.014 1.00 0.00 C ATOM 470 CG GLN A 550 72.712 1.195 -14.469 1.00 0.00 C ATOM 471 CD GLN A 550 74.207 1.047 -14.724 1.00 0.00 C ATOM 472 OE1 GLN A 550 74.632 0.925 -15.872 1.00 0.00 O ATOM 473 NE2 GLN A 550 75.035 1.051 -13.715 1.00 0.00 N ATOM 0 H GLN A 550 70.362 -1.876 -15.305 1.00 0.00 H new ATOM 0 HA GLN A 550 70.252 0.503 -13.814 1.00 0.00 H new ATOM 0 HB2 GLN A 550 72.288 -0.925 -14.493 1.00 0.00 H new ATOM 0 HB3 GLN A 550 72.198 -0.165 -16.069 1.00 0.00 H new ATOM 0 HG2 GLN A 550 72.342 2.102 -14.946 1.00 0.00 H new ATOM 0 HG3 GLN A 550 72.526 1.298 -13.400 1.00 0.00 H new ATOM 0 HE21 GLN A 550 74.680 1.152 -12.764 1.00 0.00 H new ATOM 0 HE22 GLN A 550 76.037 0.953 -13.877 1.00 0.00 H new ATOM 482 N SER A 551 69.825 0.854 -17.080 1.00 0.00 N ATOM 483 CA SER A 551 69.332 1.773 -18.109 1.00 0.00 C ATOM 484 C SER A 551 67.908 2.244 -17.803 1.00 0.00 C ATOM 485 O SER A 551 67.596 3.425 -17.958 1.00 0.00 O ATOM 486 CB SER A 551 69.362 1.093 -19.478 1.00 0.00 C ATOM 487 OG SER A 551 70.674 0.608 -19.734 1.00 0.00 O ATOM 0 H SER A 551 70.047 -0.082 -17.420 1.00 0.00 H new ATOM 0 HA SER A 551 69.987 2.645 -18.117 1.00 0.00 H new ATOM 0 HB2 SER A 551 68.647 0.271 -19.504 1.00 0.00 H new ATOM 0 HB3 SER A 551 69.065 1.799 -20.254 1.00 0.00 H new ATOM 0 HG SER A 551 70.696 0.170 -20.610 1.00 0.00 H new ATOM 493 N ILE A 552 67.056 1.328 -17.338 1.00 0.00 N ATOM 494 CA ILE A 552 65.660 1.669 -17.035 1.00 0.00 C ATOM 495 C ILE A 552 65.597 2.723 -15.924 1.00 0.00 C ATOM 496 O ILE A 552 64.877 3.715 -16.040 1.00 0.00 O ATOM 497 CB ILE A 552 64.877 0.412 -16.608 1.00 0.00 C ATOM 498 CG1 ILE A 552 65.033 -0.681 -17.676 1.00 0.00 C ATOM 499 CG2 ILE A 552 63.386 0.754 -16.459 1.00 0.00 C ATOM 500 CD1 ILE A 552 64.472 -2.005 -17.148 1.00 0.00 C ATOM 0 H ILE A 552 67.302 0.354 -17.164 1.00 0.00 H new ATOM 0 HA ILE A 552 65.205 2.077 -17.937 1.00 0.00 H new ATOM 0 HB ILE A 552 65.269 0.057 -15.655 1.00 0.00 H new ATOM 0 HG12 ILE A 552 64.509 -0.390 -18.586 1.00 0.00 H new ATOM 0 HG13 ILE A 552 66.084 -0.799 -17.938 1.00 0.00 H new ATOM 0 HG21 ILE A 552 62.837 -0.138 -16.157 1.00 0.00 H new ATOM 0 HG22 ILE A 552 63.264 1.529 -15.702 1.00 0.00 H new ATOM 0 HG23 ILE A 552 62.998 1.114 -17.412 1.00 0.00 H new ATOM 0 HD11 ILE A 552 64.585 -2.777 -17.909 1.00 0.00 H new ATOM 0 HD12 ILE A 552 65.016 -2.298 -16.250 1.00 0.00 H new ATOM 0 HD13 ILE A 552 63.416 -1.883 -16.909 1.00 0.00 H new ATOM 512 N LEU A 553 66.385 2.519 -14.868 1.00 0.00 N ATOM 513 CA LEU A 553 66.398 3.446 -13.732 1.00 0.00 C ATOM 514 C LEU A 553 66.822 4.849 -14.167 1.00 0.00 C ATOM 515 O LEU A 553 66.143 5.835 -13.869 1.00 0.00 O ATOM 516 CB LEU A 553 67.359 2.936 -12.653 1.00 0.00 C ATOM 517 CG LEU A 553 66.866 1.590 -12.115 1.00 0.00 C ATOM 518 CD1 LEU A 553 67.947 0.972 -11.228 1.00 0.00 C ATOM 519 CD2 LEU A 553 65.595 1.804 -11.287 1.00 0.00 C ATOM 0 H LEU A 553 67.019 1.726 -14.774 1.00 0.00 H new ATOM 0 HA LEU A 553 65.386 3.500 -13.331 1.00 0.00 H new ATOM 0 HB2 LEU A 553 68.361 2.828 -13.067 1.00 0.00 H new ATOM 0 HB3 LEU A 553 67.426 3.660 -11.841 1.00 0.00 H new ATOM 0 HG LEU A 553 66.650 0.923 -12.950 1.00 0.00 H new ATOM 0 HD11 LEU A 553 67.598 0.013 -10.844 1.00 0.00 H new ATOM 0 HD12 LEU A 553 68.854 0.820 -11.813 1.00 0.00 H new ATOM 0 HD13 LEU A 553 68.160 1.641 -10.394 1.00 0.00 H new ATOM 0 HD21 LEU A 553 65.244 0.846 -10.904 1.00 0.00 H new ATOM 0 HD22 LEU A 553 65.812 2.470 -10.452 1.00 0.00 H new ATOM 0 HD23 LEU A 553 64.823 2.249 -11.915 1.00 0.00 H new ATOM 531 N GLN A 554 67.928 4.932 -14.911 1.00 0.00 N ATOM 532 CA GLN A 554 68.438 6.226 -15.373 1.00 0.00 C ATOM 533 C GLN A 554 67.374 6.972 -16.177 1.00 0.00 C ATOM 534 O GLN A 554 67.018 8.104 -15.849 1.00 0.00 O ATOM 535 CB GLN A 554 69.682 6.021 -16.239 1.00 0.00 C ATOM 536 CG GLN A 554 70.813 5.447 -15.382 1.00 0.00 C ATOM 537 CD GLN A 554 72.089 5.335 -16.208 1.00 0.00 C ATOM 538 OE1 GLN A 554 72.781 6.330 -16.423 1.00 0.00 O ATOM 539 NE2 GLN A 554 72.444 4.174 -16.689 1.00 0.00 N ATOM 0 H GLN A 554 68.483 4.128 -15.204 1.00 0.00 H new ATOM 0 HA GLN A 554 68.698 6.821 -14.498 1.00 0.00 H new ATOM 0 HB2 GLN A 554 69.457 5.344 -17.063 1.00 0.00 H new ATOM 0 HB3 GLN A 554 69.991 6.969 -16.680 1.00 0.00 H new ATOM 0 HG2 GLN A 554 70.985 6.087 -14.517 1.00 0.00 H new ATOM 0 HG3 GLN A 554 70.529 4.466 -15.001 1.00 0.00 H new ATOM 0 HE21 GLN A 554 71.869 3.350 -16.510 1.00 0.00 H new ATOM 0 HE22 GLN A 554 73.296 4.091 -17.244 1.00 0.00 H new ATOM 548 N GLN A 555 66.775 6.280 -17.147 1.00 0.00 N ATOM 549 CA GLN A 555 65.760 6.890 -18.007 1.00 0.00 C ATOM 550 C GLN A 555 64.573 7.391 -17.182 1.00 0.00 C ATOM 551 O GLN A 555 63.975 8.420 -17.501 1.00 0.00 O ATOM 552 CB GLN A 555 65.272 5.869 -19.037 1.00 0.00 C ATOM 553 CG GLN A 555 64.554 6.597 -20.176 1.00 0.00 C ATOM 554 CD GLN A 555 65.572 7.289 -21.076 1.00 0.00 C ATOM 555 OE1 GLN A 555 66.392 6.627 -21.712 1.00 0.00 O ATOM 556 NE2 GLN A 555 65.570 8.592 -21.167 1.00 0.00 N ATOM 0 H GLN A 555 66.974 5.302 -17.356 1.00 0.00 H new ATOM 0 HA GLN A 555 66.211 7.741 -18.517 1.00 0.00 H new ATOM 0 HB2 GLN A 555 66.115 5.300 -19.429 1.00 0.00 H new ATOM 0 HB3 GLN A 555 64.597 5.155 -18.565 1.00 0.00 H new ATOM 0 HG2 GLN A 555 63.965 5.888 -20.758 1.00 0.00 H new ATOM 0 HG3 GLN A 555 63.859 7.331 -19.768 1.00 0.00 H new ATOM 0 HE21 GLN A 555 64.890 9.139 -20.639 1.00 0.00 H new ATOM 0 HE22 GLN A 555 66.249 9.062 -21.766 1.00 0.00 H new ATOM 565 N ALA A 556 64.240 6.656 -16.119 1.00 0.00 N ATOM 566 CA ALA A 556 63.131 7.033 -15.241 1.00 0.00 C ATOM 567 C ALA A 556 63.396 8.373 -14.557 1.00 0.00 C ATOM 568 O ALA A 556 62.474 9.165 -14.355 1.00 0.00 O ATOM 569 CB ALA A 556 62.915 5.955 -14.176 1.00 0.00 C ATOM 0 H ALA A 556 64.721 5.799 -15.846 1.00 0.00 H new ATOM 0 HA ALA A 556 62.237 7.129 -15.857 1.00 0.00 H new ATOM 0 HB1 ALA A 556 62.088 6.245 -13.528 1.00 0.00 H new ATOM 0 HB2 ALA A 556 62.682 5.007 -14.660 1.00 0.00 H new ATOM 0 HB3 ALA A 556 63.821 5.845 -13.581 1.00 0.00 H new ATOM 575 N GLN A 557 64.659 8.624 -14.203 1.00 0.00 N ATOM 576 CA GLN A 557 65.026 9.874 -13.538 1.00 0.00 C ATOM 577 C GLN A 557 64.844 11.054 -14.490 1.00 0.00 C ATOM 578 O GLN A 557 64.301 12.093 -14.112 1.00 0.00 O ATOM 579 CB GLN A 557 66.486 9.811 -13.077 1.00 0.00 C ATOM 580 CG GLN A 557 66.771 10.967 -12.116 1.00 0.00 C ATOM 581 CD GLN A 557 68.254 10.996 -11.761 1.00 0.00 C ATOM 582 OE1 GLN A 557 69.104 11.058 -12.650 1.00 0.00 O ATOM 583 NE2 GLN A 557 68.617 10.955 -10.509 1.00 0.00 N ATOM 0 H GLN A 557 65.437 7.984 -14.364 1.00 0.00 H new ATOM 0 HA GLN A 557 64.377 10.011 -12.673 1.00 0.00 H new ATOM 0 HB2 GLN A 557 66.682 8.859 -12.584 1.00 0.00 H new ATOM 0 HB3 GLN A 557 67.152 9.867 -13.938 1.00 0.00 H new ATOM 0 HG2 GLN A 557 66.480 11.912 -12.574 1.00 0.00 H new ATOM 0 HG3 GLN A 557 66.174 10.854 -11.211 1.00 0.00 H new ATOM 0 HE21 GLN A 557 67.911 10.904 -9.775 1.00 0.00 H new ATOM 0 HE22 GLN A 557 69.607 10.974 -10.264 1.00 0.00 H new ATOM 592 N GLN A 558 65.306 10.877 -15.728 1.00 0.00 N ATOM 593 CA GLN A 558 65.140 11.902 -16.756 1.00 0.00 C ATOM 594 C GLN A 558 63.668 12.050 -17.137 1.00 0.00 C ATOM 595 O GLN A 558 63.200 13.154 -17.421 1.00 0.00 O ATOM 596 CB GLN A 558 65.954 11.536 -17.999 1.00 0.00 C ATOM 597 CG GLN A 558 67.445 11.564 -17.659 1.00 0.00 C ATOM 598 CD GLN A 558 68.269 11.264 -18.907 1.00 0.00 C ATOM 599 OE1 GLN A 558 68.020 10.274 -19.594 1.00 0.00 O ATOM 600 NE2 GLN A 558 69.241 12.067 -19.243 1.00 0.00 N ATOM 0 H GLN A 558 65.795 10.038 -16.041 1.00 0.00 H new ATOM 0 HA GLN A 558 65.497 12.850 -16.354 1.00 0.00 H new ATOM 0 HB2 GLN A 558 65.670 10.545 -18.354 1.00 0.00 H new ATOM 0 HB3 GLN A 558 65.741 12.237 -18.806 1.00 0.00 H new ATOM 0 HG2 GLN A 558 67.717 12.541 -17.259 1.00 0.00 H new ATOM 0 HG3 GLN A 558 67.664 10.830 -16.883 1.00 0.00 H new ATOM 0 HE21 GLN A 558 69.446 12.887 -18.672 1.00 0.00 H new ATOM 0 HE22 GLN A 558 69.796 11.875 -20.077 1.00 0.00 H new ATOM 609 N ASN A 559 62.944 10.929 -17.140 1.00 0.00 N ATOM 610 CA ASN A 559 61.524 10.942 -17.478 1.00 0.00 C ATOM 611 C ASN A 559 60.820 9.725 -16.867 1.00 0.00 C ATOM 612 O ASN A 559 61.162 8.587 -17.193 1.00 0.00 O ATOM 613 CB ASN A 559 61.352 10.922 -18.998 1.00 0.00 C ATOM 614 CG ASN A 559 59.978 11.464 -19.375 1.00 0.00 C ATOM 615 OD1 ASN A 559 58.957 10.891 -18.992 1.00 0.00 O ATOM 616 ND2 ASN A 559 59.889 12.541 -20.106 1.00 0.00 N ATOM 0 H ASN A 559 63.317 10.007 -16.913 1.00 0.00 H new ATOM 0 HA ASN A 559 61.077 11.850 -17.073 1.00 0.00 H new ATOM 0 HB2 ASN A 559 62.130 11.523 -19.468 1.00 0.00 H new ATOM 0 HB3 ASN A 559 61.466 9.904 -19.372 1.00 0.00 H new ATOM 0 HD21 ASN A 559 58.973 12.910 -20.361 1.00 0.00 H new ATOM 0 HD22 ASN A 559 60.735 13.014 -20.422 1.00 0.00 H new ATOM 623 N PRO A 560 59.819 9.933 -16.032 1.00 0.00 N ATOM 624 CA PRO A 560 59.232 8.822 -15.215 1.00 0.00 C ATOM 625 C PRO A 560 58.480 7.785 -16.059 1.00 0.00 C ATOM 626 O PRO A 560 58.157 6.702 -15.567 1.00 0.00 O ATOM 627 CB PRO A 560 58.279 9.537 -14.254 1.00 0.00 C ATOM 628 CG PRO A 560 57.880 10.787 -14.958 1.00 0.00 C ATOM 629 CD PRO A 560 59.065 11.191 -15.834 1.00 0.00 C ATOM 0 HA PRO A 560 60.010 8.248 -14.711 1.00 0.00 H new ATOM 0 HB2 PRO A 560 57.411 8.918 -14.028 1.00 0.00 H new ATOM 0 HB3 PRO A 560 58.769 9.758 -13.306 1.00 0.00 H new ATOM 0 HG2 PRO A 560 56.989 10.623 -15.563 1.00 0.00 H new ATOM 0 HG3 PRO A 560 57.640 11.574 -14.244 1.00 0.00 H new ATOM 0 HD2 PRO A 560 58.733 11.609 -16.784 1.00 0.00 H new ATOM 0 HD3 PRO A 560 59.678 11.950 -15.348 1.00 0.00 H new ATOM 637 N ALA A 561 58.206 8.118 -17.321 1.00 0.00 N ATOM 638 CA ALA A 561 57.450 7.221 -18.195 1.00 0.00 C ATOM 639 C ALA A 561 58.281 6.000 -18.602 1.00 0.00 C ATOM 640 O ALA A 561 57.726 4.953 -18.944 1.00 0.00 O ATOM 641 CB ALA A 561 57.011 7.974 -19.453 1.00 0.00 C ATOM 0 H ALA A 561 58.493 8.994 -17.758 1.00 0.00 H new ATOM 0 HA ALA A 561 56.578 6.873 -17.641 1.00 0.00 H new ATOM 0 HB1 ALA A 561 56.448 7.302 -20.101 1.00 0.00 H new ATOM 0 HB2 ALA A 561 56.382 8.818 -19.171 1.00 0.00 H new ATOM 0 HB3 ALA A 561 57.890 8.339 -19.984 1.00 0.00 H new ATOM 647 N ALA A 562 59.611 6.125 -18.545 1.00 0.00 N ATOM 648 CA ALA A 562 60.497 5.098 -19.098 1.00 0.00 C ATOM 649 C ALA A 562 60.304 3.754 -18.397 1.00 0.00 C ATOM 650 O ALA A 562 60.062 2.736 -19.050 1.00 0.00 O ATOM 651 CB ALA A 562 61.955 5.537 -18.955 1.00 0.00 C ATOM 0 H ALA A 562 60.093 6.920 -18.125 1.00 0.00 H new ATOM 0 HA ALA A 562 60.245 4.975 -20.151 1.00 0.00 H new ATOM 0 HB1 ALA A 562 62.609 4.769 -19.368 1.00 0.00 H new ATOM 0 HB2 ALA A 562 62.108 6.472 -19.494 1.00 0.00 H new ATOM 0 HB3 ALA A 562 62.189 5.684 -17.901 1.00 0.00 H new ATOM 657 N LEU A 563 60.377 3.752 -17.068 1.00 0.00 N ATOM 658 CA LEU A 563 60.249 2.502 -16.323 1.00 0.00 C ATOM 659 C LEU A 563 58.840 1.920 -16.456 1.00 0.00 C ATOM 660 O LEU A 563 58.662 0.704 -16.407 1.00 0.00 O ATOM 661 CB LEU A 563 60.656 2.677 -14.843 1.00 0.00 C ATOM 662 CG LEU A 563 59.970 3.880 -14.172 1.00 0.00 C ATOM 663 CD1 LEU A 563 58.472 3.614 -13.970 1.00 0.00 C ATOM 664 CD2 LEU A 563 60.637 4.128 -12.814 1.00 0.00 C ATOM 0 H LEU A 563 60.521 4.583 -16.495 1.00 0.00 H new ATOM 0 HA LEU A 563 60.943 1.785 -16.763 1.00 0.00 H new ATOM 0 HB2 LEU A 563 60.407 1.770 -14.293 1.00 0.00 H new ATOM 0 HB3 LEU A 563 61.737 2.800 -14.781 1.00 0.00 H new ATOM 0 HG LEU A 563 60.075 4.755 -14.813 1.00 0.00 H new ATOM 0 HD11 LEU A 563 58.010 4.479 -13.494 1.00 0.00 H new ATOM 0 HD12 LEU A 563 58.000 3.436 -14.937 1.00 0.00 H new ATOM 0 HD13 LEU A 563 58.340 2.737 -13.336 1.00 0.00 H new ATOM 0 HD21 LEU A 563 60.162 4.978 -12.325 1.00 0.00 H new ATOM 0 HD22 LEU A 563 60.528 3.242 -12.188 1.00 0.00 H new ATOM 0 HD23 LEU A 563 61.696 4.340 -12.962 1.00 0.00 H new ATOM 676 N GLN A 564 57.841 2.789 -16.653 1.00 0.00 N ATOM 677 CA GLN A 564 56.459 2.327 -16.818 1.00 0.00 C ATOM 678 C GLN A 564 56.337 1.399 -18.027 1.00 0.00 C ATOM 679 O GLN A 564 55.992 0.224 -17.881 1.00 0.00 O ATOM 680 CB GLN A 564 55.520 3.522 -17.007 1.00 0.00 C ATOM 681 CG GLN A 564 55.586 4.431 -15.779 1.00 0.00 C ATOM 682 CD GLN A 564 54.375 5.358 -15.753 1.00 0.00 C ATOM 683 OE1 GLN A 564 53.261 4.934 -16.060 1.00 0.00 O ATOM 684 NE2 GLN A 564 54.527 6.606 -15.402 1.00 0.00 N ATOM 0 H GLN A 564 57.961 3.801 -16.701 1.00 0.00 H new ATOM 0 HA GLN A 564 56.179 1.779 -15.918 1.00 0.00 H new ATOM 0 HB2 GLN A 564 55.802 4.080 -17.900 1.00 0.00 H new ATOM 0 HB3 GLN A 564 54.498 3.173 -17.158 1.00 0.00 H new ATOM 0 HG2 GLN A 564 55.613 3.829 -14.871 1.00 0.00 H new ATOM 0 HG3 GLN A 564 56.504 5.018 -15.800 1.00 0.00 H new ATOM 0 HE21 GLN A 564 55.451 6.955 -15.148 1.00 0.00 H new ATOM 0 HE22 GLN A 564 53.722 7.232 -15.382 1.00 0.00 H new ATOM 693 N GLU A 565 56.799 1.871 -19.184 1.00 0.00 N ATOM 694 CA GLU A 565 56.700 1.081 -20.415 1.00 0.00 C ATOM 695 C GLU A 565 57.527 -0.202 -20.306 1.00 0.00 C ATOM 696 O GLU A 565 57.214 -1.210 -20.943 1.00 0.00 O ATOM 697 CB GLU A 565 57.168 1.906 -21.619 1.00 0.00 C ATOM 698 CG GLU A 565 58.598 2.408 -21.399 1.00 0.00 C ATOM 699 CD GLU A 565 59.192 2.884 -22.720 1.00 0.00 C ATOM 700 OE1 GLU A 565 58.619 3.782 -23.315 1.00 0.00 O ATOM 701 OE2 GLU A 565 60.212 2.345 -23.117 1.00 0.00 O ATOM 0 H GLU A 565 57.240 2.784 -19.297 1.00 0.00 H new ATOM 0 HA GLU A 565 55.655 0.808 -20.559 1.00 0.00 H new ATOM 0 HB2 GLU A 565 57.124 1.299 -22.523 1.00 0.00 H new ATOM 0 HB3 GLU A 565 56.498 2.752 -21.771 1.00 0.00 H new ATOM 0 HG2 GLU A 565 58.599 3.223 -20.676 1.00 0.00 H new ATOM 0 HG3 GLU A 565 59.212 1.610 -20.981 1.00 0.00 H new ATOM 708 N HIS A 566 58.585 -0.152 -19.496 1.00 0.00 N ATOM 709 CA HIS A 566 59.404 -1.333 -19.229 1.00 0.00 C ATOM 710 C HIS A 566 58.603 -2.402 -18.480 1.00 0.00 C ATOM 711 O HIS A 566 58.684 -3.585 -18.809 1.00 0.00 O ATOM 712 CB HIS A 566 60.637 -0.937 -18.415 1.00 0.00 C ATOM 713 CG HIS A 566 61.761 -0.411 -19.267 1.00 0.00 C ATOM 714 ND1 HIS A 566 62.117 0.928 -19.275 1.00 0.00 N ATOM 715 CD2 HIS A 566 62.605 -1.029 -20.156 1.00 0.00 C ATOM 716 CE1 HIS A 566 63.135 1.072 -20.143 1.00 0.00 C ATOM 717 NE2 HIS A 566 63.472 -0.091 -20.709 1.00 0.00 N ATOM 0 H HIS A 566 58.894 0.692 -19.015 1.00 0.00 H new ATOM 0 HA HIS A 566 59.720 -1.753 -20.184 1.00 0.00 H new ATOM 0 HB2 HIS A 566 60.355 -0.177 -17.686 1.00 0.00 H new ATOM 0 HB3 HIS A 566 60.988 -1.803 -17.854 1.00 0.00 H new ATOM 0 HD1 HIS A 566 61.686 1.670 -18.723 1.00 0.00 H new ATOM 0 HD2 HIS A 566 62.597 -2.083 -20.391 1.00 0.00 H new ATOM 0 HE1 HIS A 566 63.621 2.013 -20.356 1.00 0.00 H new ATOM 725 N MET A 567 57.817 -1.981 -17.489 1.00 0.00 N ATOM 726 CA MET A 567 56.968 -2.910 -16.735 1.00 0.00 C ATOM 727 C MET A 567 55.924 -3.560 -17.649 1.00 0.00 C ATOM 728 O MET A 567 55.504 -4.694 -17.414 1.00 0.00 O ATOM 729 CB MET A 567 56.263 -2.162 -15.598 1.00 0.00 C ATOM 730 CG MET A 567 55.617 -3.166 -14.640 1.00 0.00 C ATOM 731 SD MET A 567 54.786 -2.273 -13.302 1.00 0.00 S ATOM 732 CE MET A 567 56.261 -1.498 -12.596 1.00 0.00 C ATOM 0 H MET A 567 57.749 -1.008 -17.189 1.00 0.00 H new ATOM 0 HA MET A 567 57.601 -3.694 -16.320 1.00 0.00 H new ATOM 0 HB2 MET A 567 56.979 -1.541 -15.060 1.00 0.00 H new ATOM 0 HB3 MET A 567 55.504 -1.494 -16.005 1.00 0.00 H new ATOM 0 HG2 MET A 567 54.901 -3.788 -15.177 1.00 0.00 H new ATOM 0 HG3 MET A 567 56.375 -3.834 -14.230 1.00 0.00 H new ATOM 0 HE1 MET A 567 56.187 -1.498 -11.509 1.00 0.00 H new ATOM 0 HE2 MET A 567 57.146 -2.057 -12.899 1.00 0.00 H new ATOM 0 HE3 MET A 567 56.340 -0.472 -12.954 1.00 0.00 H new ATOM 742 N LYS A 568 55.516 -2.837 -18.694 1.00 0.00 N ATOM 743 CA LYS A 568 54.583 -3.388 -19.676 1.00 0.00 C ATOM 744 C LYS A 568 55.257 -4.503 -20.479 1.00 0.00 C ATOM 745 O LYS A 568 54.624 -5.504 -20.820 1.00 0.00 O ATOM 746 CB LYS A 568 54.103 -2.286 -20.624 1.00 0.00 C ATOM 747 CG LYS A 568 53.278 -1.263 -19.841 1.00 0.00 C ATOM 748 CD LYS A 568 52.691 -0.234 -20.809 1.00 0.00 C ATOM 749 CE LYS A 568 51.942 0.842 -20.019 1.00 0.00 C ATOM 750 NZ LYS A 568 50.957 1.517 -20.911 1.00 0.00 N ATOM 0 H LYS A 568 55.814 -1.879 -18.880 1.00 0.00 H new ATOM 0 HA LYS A 568 53.725 -3.801 -19.146 1.00 0.00 H new ATOM 0 HB2 LYS A 568 54.957 -1.798 -21.093 1.00 0.00 H new ATOM 0 HB3 LYS A 568 53.502 -2.717 -21.425 1.00 0.00 H new ATOM 0 HG2 LYS A 568 52.478 -1.765 -19.297 1.00 0.00 H new ATOM 0 HG3 LYS A 568 53.904 -0.766 -19.100 1.00 0.00 H new ATOM 0 HD2 LYS A 568 53.487 0.221 -21.399 1.00 0.00 H new ATOM 0 HD3 LYS A 568 52.014 -0.723 -21.510 1.00 0.00 H new ATOM 0 HE2 LYS A 568 51.430 0.393 -19.168 1.00 0.00 H new ATOM 0 HE3 LYS A 568 52.646 1.571 -19.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 50.448 2.248 -20.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 51.457 1.958 -21.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 50.278 0.816 -21.272 1.00 0.00 H new ATOM 764 N ASN A 569 56.543 -4.315 -20.776 1.00 0.00 N ATOM 765 CA ASN A 569 57.333 -5.340 -21.463 1.00 0.00 C ATOM 766 C ASN A 569 57.475 -6.590 -20.582 1.00 0.00 C ATOM 767 O ASN A 569 57.721 -6.474 -19.381 1.00 0.00 O ATOM 768 CB ASN A 569 58.722 -4.780 -21.799 1.00 0.00 C ATOM 769 CG ASN A 569 59.268 -5.431 -23.065 1.00 0.00 C ATOM 770 OD1 ASN A 569 60.159 -6.278 -22.994 1.00 0.00 O ATOM 771 ND2 ASN A 569 58.783 -5.087 -24.227 1.00 0.00 N ATOM 0 H ASN A 569 57.060 -3.465 -20.553 1.00 0.00 H new ATOM 0 HA ASN A 569 56.821 -5.620 -22.384 1.00 0.00 H new ATOM 0 HB2 ASN A 569 58.662 -3.700 -21.935 1.00 0.00 H new ATOM 0 HB3 ASN A 569 59.404 -4.959 -20.968 1.00 0.00 H new ATOM 0 HD21 ASN A 569 59.142 -5.520 -25.078 1.00 0.00 H new ATOM 0 HD22 ASN A 569 58.045 -4.385 -24.284 1.00 0.00 H new ATOM 778 N PRO A 570 57.344 -7.775 -21.150 1.00 0.00 N ATOM 779 CA PRO A 570 57.202 -9.026 -20.340 1.00 0.00 C ATOM 780 C PRO A 570 58.514 -9.449 -19.675 1.00 0.00 C ATOM 781 O PRO A 570 58.545 -9.736 -18.476 1.00 0.00 O ATOM 782 CB PRO A 570 56.739 -10.068 -21.356 1.00 0.00 C ATOM 783 CG PRO A 570 57.282 -9.609 -22.664 1.00 0.00 C ATOM 784 CD PRO A 570 57.357 -8.083 -22.597 1.00 0.00 C ATOM 0 HA PRO A 570 56.506 -8.894 -19.512 1.00 0.00 H new ATOM 0 HB2 PRO A 570 57.113 -11.060 -21.101 1.00 0.00 H new ATOM 0 HB3 PRO A 570 55.651 -10.135 -21.383 1.00 0.00 H new ATOM 0 HG2 PRO A 570 58.268 -10.037 -22.846 1.00 0.00 H new ATOM 0 HG3 PRO A 570 56.639 -9.929 -23.484 1.00 0.00 H new ATOM 0 HD2 PRO A 570 58.263 -7.709 -23.074 1.00 0.00 H new ATOM 0 HD3 PRO A 570 56.513 -7.621 -23.109 1.00 0.00 H new ATOM 792 N GLU A 571 59.602 -9.457 -20.447 1.00 0.00 N ATOM 793 CA GLU A 571 60.898 -9.892 -19.923 1.00 0.00 C ATOM 794 C GLU A 571 61.384 -8.919 -18.850 1.00 0.00 C ATOM 795 O GLU A 571 61.889 -9.331 -17.800 1.00 0.00 O ATOM 796 CB GLU A 571 61.925 -9.970 -21.054 1.00 0.00 C ATOM 797 CG GLU A 571 63.178 -10.699 -20.564 1.00 0.00 C ATOM 798 CD GLU A 571 64.231 -10.723 -21.667 1.00 0.00 C ATOM 799 OE1 GLU A 571 63.974 -11.334 -22.692 1.00 0.00 O ATOM 800 OE2 GLU A 571 65.280 -10.131 -21.471 1.00 0.00 O ATOM 0 H GLU A 571 59.613 -9.171 -21.426 1.00 0.00 H new ATOM 0 HA GLU A 571 60.781 -10.881 -19.480 1.00 0.00 H new ATOM 0 HB2 GLU A 571 61.499 -10.494 -21.910 1.00 0.00 H new ATOM 0 HB3 GLU A 571 62.185 -8.967 -21.392 1.00 0.00 H new ATOM 0 HG2 GLU A 571 63.576 -10.201 -19.680 1.00 0.00 H new ATOM 0 HG3 GLU A 571 62.925 -11.717 -20.269 1.00 0.00 H new ATOM 807 N VAL A 572 61.132 -7.632 -19.072 1.00 0.00 N ATOM 808 CA VAL A 572 61.500 -6.627 -18.087 1.00 0.00 C ATOM 809 C VAL A 572 60.566 -6.733 -16.882 1.00 0.00 C ATOM 810 O VAL A 572 61.007 -6.618 -15.746 1.00 0.00 O ATOM 811 CB VAL A 572 61.428 -5.221 -18.700 1.00 0.00 C ATOM 812 CG1 VAL A 572 61.858 -4.174 -17.663 1.00 0.00 C ATOM 813 CG2 VAL A 572 62.367 -5.142 -19.905 1.00 0.00 C ATOM 0 H VAL A 572 60.682 -7.267 -19.912 1.00 0.00 H new ATOM 0 HA VAL A 572 62.526 -6.802 -17.763 1.00 0.00 H new ATOM 0 HB VAL A 572 60.403 -5.023 -19.013 1.00 0.00 H new ATOM 0 HG11 VAL A 572 61.804 -3.180 -18.106 1.00 0.00 H new ATOM 0 HG12 VAL A 572 61.194 -4.223 -16.800 1.00 0.00 H new ATOM 0 HG13 VAL A 572 62.881 -4.375 -17.346 1.00 0.00 H new ATOM 0 HG21 VAL A 572 62.317 -4.144 -20.341 1.00 0.00 H new ATOM 0 HG22 VAL A 572 63.388 -5.347 -19.584 1.00 0.00 H new ATOM 0 HG23 VAL A 572 62.066 -5.879 -20.650 1.00 0.00 H new ATOM 823 N PHE A 573 59.292 -7.051 -17.136 1.00 0.00 N ATOM 824 CA PHE A 573 58.296 -7.149 -16.062 1.00 0.00 C ATOM 825 C PHE A 573 58.770 -8.099 -14.957 1.00 0.00 C ATOM 826 O PHE A 573 58.697 -7.766 -13.775 1.00 0.00 O ATOM 827 CB PHE A 573 56.964 -7.648 -16.639 1.00 0.00 C ATOM 828 CG PHE A 573 55.851 -7.767 -15.621 1.00 0.00 C ATOM 829 CD1 PHE A 573 55.277 -6.603 -15.058 1.00 0.00 C ATOM 830 CD2 PHE A 573 55.376 -9.046 -15.239 1.00 0.00 C ATOM 831 CE1 PHE A 573 54.230 -6.715 -14.111 1.00 0.00 C ATOM 832 CE2 PHE A 573 54.330 -9.159 -14.292 1.00 0.00 C ATOM 833 CZ PHE A 573 53.757 -7.994 -13.728 1.00 0.00 C ATOM 0 H PHE A 573 58.927 -7.244 -18.069 1.00 0.00 H new ATOM 0 HA PHE A 573 58.161 -6.159 -15.626 1.00 0.00 H new ATOM 0 HB2 PHE A 573 56.646 -6.968 -17.430 1.00 0.00 H new ATOM 0 HB3 PHE A 573 57.124 -8.622 -17.101 1.00 0.00 H new ATOM 0 HD1 PHE A 573 55.638 -5.628 -15.351 1.00 0.00 H new ATOM 0 HD2 PHE A 573 55.812 -9.935 -15.670 1.00 0.00 H new ATOM 0 HE1 PHE A 573 53.793 -5.826 -13.681 1.00 0.00 H new ATOM 0 HE2 PHE A 573 53.969 -10.134 -14.000 1.00 0.00 H new ATOM 0 HZ PHE A 573 52.959 -8.080 -13.005 1.00 0.00 H new ATOM 843 N LYS A 574 59.308 -9.253 -15.355 1.00 0.00 N ATOM 844 CA LYS A 574 59.880 -10.196 -14.391 1.00 0.00 C ATOM 845 C LYS A 574 61.023 -9.545 -13.602 1.00 0.00 C ATOM 846 O LYS A 574 61.058 -9.612 -12.371 1.00 0.00 O ATOM 847 CB LYS A 574 60.409 -11.434 -15.125 1.00 0.00 C ATOM 848 CG LYS A 574 60.728 -12.537 -14.113 1.00 0.00 C ATOM 849 CD LYS A 574 61.316 -13.747 -14.843 1.00 0.00 C ATOM 850 CE LYS A 574 61.512 -14.896 -13.853 1.00 0.00 C ATOM 851 NZ LYS A 574 60.211 -15.591 -13.633 1.00 0.00 N ATOM 0 H LYS A 574 59.360 -9.556 -16.328 1.00 0.00 H new ATOM 0 HA LYS A 574 59.095 -10.488 -13.693 1.00 0.00 H new ATOM 0 HB2 LYS A 574 59.668 -11.788 -15.842 1.00 0.00 H new ATOM 0 HB3 LYS A 574 61.304 -11.178 -15.692 1.00 0.00 H new ATOM 0 HG2 LYS A 574 61.435 -12.169 -13.369 1.00 0.00 H new ATOM 0 HG3 LYS A 574 59.824 -12.826 -13.578 1.00 0.00 H new ATOM 0 HD2 LYS A 574 60.651 -14.057 -15.649 1.00 0.00 H new ATOM 0 HD3 LYS A 574 62.269 -13.481 -15.301 1.00 0.00 H new ATOM 0 HE2 LYS A 574 62.251 -15.599 -14.237 1.00 0.00 H new ATOM 0 HE3 LYS A 574 61.897 -14.514 -12.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 574 60.159 -15.927 -12.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 574 59.429 -14.930 -13.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 574 60.137 -16.402 -14.280 1.00 0.00 H new ATOM 865 N LYS A 575 61.918 -8.863 -14.317 1.00 0.00 N ATOM 866 CA LYS A 575 63.100 -8.265 -13.690 1.00 0.00 C ATOM 867 C LYS A 575 62.713 -7.170 -12.694 1.00 0.00 C ATOM 868 O LYS A 575 63.096 -7.214 -11.520 1.00 0.00 O ATOM 869 CB LYS A 575 64.010 -7.672 -14.764 1.00 0.00 C ATOM 870 CG LYS A 575 64.653 -8.802 -15.570 1.00 0.00 C ATOM 871 CD LYS A 575 65.746 -8.228 -16.473 1.00 0.00 C ATOM 872 CE LYS A 575 66.426 -9.366 -17.237 1.00 0.00 C ATOM 873 NZ LYS A 575 67.084 -8.821 -18.458 1.00 0.00 N ATOM 0 H LYS A 575 61.850 -8.711 -15.323 1.00 0.00 H new ATOM 0 HA LYS A 575 63.624 -9.052 -13.147 1.00 0.00 H new ATOM 0 HB2 LYS A 575 63.436 -7.022 -15.424 1.00 0.00 H new ATOM 0 HB3 LYS A 575 64.782 -7.056 -14.302 1.00 0.00 H new ATOM 0 HG2 LYS A 575 65.077 -9.547 -14.897 1.00 0.00 H new ATOM 0 HG3 LYS A 575 63.898 -9.309 -16.172 1.00 0.00 H new ATOM 0 HD2 LYS A 575 65.315 -7.512 -17.173 1.00 0.00 H new ATOM 0 HD3 LYS A 575 66.480 -7.687 -15.875 1.00 0.00 H new ATOM 0 HE2 LYS A 575 67.164 -9.855 -16.601 1.00 0.00 H new ATOM 0 HE3 LYS A 575 65.692 -10.122 -17.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 66.887 -9.445 -19.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 66.713 -7.870 -18.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 68.111 -8.767 -18.304 1.00 0.00 H new ATOM 887 N ILE A 576 61.923 -6.206 -13.163 1.00 0.00 N ATOM 888 CA ILE A 576 61.524 -5.062 -12.335 1.00 0.00 C ATOM 889 C ILE A 576 60.846 -5.546 -11.044 1.00 0.00 C ATOM 890 O ILE A 576 61.213 -5.123 -9.946 1.00 0.00 O ATOM 891 CB ILE A 576 60.567 -4.136 -13.118 1.00 0.00 C ATOM 892 CG1 ILE A 576 61.176 -3.731 -14.483 1.00 0.00 C ATOM 893 CG2 ILE A 576 60.273 -2.873 -12.296 1.00 0.00 C ATOM 894 CD1 ILE A 576 62.462 -2.913 -14.312 1.00 0.00 C ATOM 0 H ILE A 576 61.545 -6.191 -14.110 1.00 0.00 H new ATOM 0 HA ILE A 576 62.420 -4.500 -12.073 1.00 0.00 H new ATOM 0 HB ILE A 576 59.641 -4.682 -13.299 1.00 0.00 H new ATOM 0 HG12 ILE A 576 61.390 -4.627 -15.066 1.00 0.00 H new ATOM 0 HG13 ILE A 576 60.448 -3.149 -15.048 1.00 0.00 H new ATOM 0 HG21 ILE A 576 59.598 -2.225 -12.854 1.00 0.00 H new ATOM 0 HG22 ILE A 576 59.808 -3.154 -11.351 1.00 0.00 H new ATOM 0 HG23 ILE A 576 61.204 -2.343 -12.098 1.00 0.00 H new ATOM 0 HD11 ILE A 576 62.858 -2.649 -15.292 1.00 0.00 H new ATOM 0 HD12 ILE A 576 62.243 -2.004 -13.752 1.00 0.00 H new ATOM 0 HD13 ILE A 576 63.200 -3.504 -13.770 1.00 0.00 H new ATOM 906 N GLN A 577 59.903 -6.481 -11.179 1.00 0.00 N ATOM 907 CA GLN A 577 59.161 -6.990 -10.021 1.00 0.00 C ATOM 908 C GLN A 577 60.092 -7.597 -8.968 1.00 0.00 C ATOM 909 O GLN A 577 59.923 -7.352 -7.774 1.00 0.00 O ATOM 910 CB GLN A 577 58.154 -8.050 -10.469 1.00 0.00 C ATOM 911 CG GLN A 577 56.984 -7.375 -11.187 1.00 0.00 C ATOM 912 CD GLN A 577 55.888 -8.397 -11.468 1.00 0.00 C ATOM 913 OE1 GLN A 577 56.129 -9.395 -12.147 1.00 0.00 O ATOM 914 NE2 GLN A 577 54.693 -8.210 -10.980 1.00 0.00 N ATOM 0 H GLN A 577 59.636 -6.899 -12.070 1.00 0.00 H new ATOM 0 HA GLN A 577 58.642 -6.144 -9.571 1.00 0.00 H new ATOM 0 HB2 GLN A 577 58.637 -8.767 -11.133 1.00 0.00 H new ATOM 0 HB3 GLN A 577 57.791 -8.609 -9.606 1.00 0.00 H new ATOM 0 HG2 GLN A 577 56.589 -6.564 -10.575 1.00 0.00 H new ATOM 0 HG3 GLN A 577 57.327 -6.931 -12.121 1.00 0.00 H new ATOM 0 HE21 GLN A 577 54.496 -7.382 -10.418 1.00 0.00 H new ATOM 0 HE22 GLN A 577 53.956 -8.892 -11.161 1.00 0.00 H new ATOM 923 N THR A 578 61.081 -8.378 -9.415 1.00 0.00 N ATOM 924 CA THR A 578 61.959 -9.096 -8.489 1.00 0.00 C ATOM 925 C THR A 578 62.633 -8.137 -7.501 1.00 0.00 C ATOM 926 O THR A 578 62.544 -8.330 -6.286 1.00 0.00 O ATOM 927 CB THR A 578 63.031 -9.873 -9.265 1.00 0.00 C ATOM 928 OG1 THR A 578 62.410 -10.614 -10.307 1.00 0.00 O ATOM 929 CG2 THR A 578 63.768 -10.835 -8.324 1.00 0.00 C ATOM 0 H THR A 578 61.291 -8.527 -10.402 1.00 0.00 H new ATOM 0 HA THR A 578 61.342 -9.794 -7.924 1.00 0.00 H new ATOM 0 HB THR A 578 63.749 -9.170 -9.688 1.00 0.00 H new ATOM 0 HG1 THR A 578 62.221 -10.020 -11.063 1.00 0.00 H new ATOM 0 HG21 THR A 578 64.527 -11.382 -8.884 1.00 0.00 H new ATOM 0 HG22 THR A 578 64.245 -10.268 -7.525 1.00 0.00 H new ATOM 0 HG23 THR A 578 63.056 -11.540 -7.894 1.00 0.00 H new ATOM 937 N LEU A 579 63.252 -7.076 -8.017 1.00 0.00 N ATOM 938 CA LEU A 579 63.997 -6.159 -7.149 1.00 0.00 C ATOM 939 C LEU A 579 63.064 -5.394 -6.208 1.00 0.00 C ATOM 940 O LEU A 579 63.426 -5.128 -5.061 1.00 0.00 O ATOM 941 CB LEU A 579 64.824 -5.162 -7.972 1.00 0.00 C ATOM 942 CG LEU A 579 65.741 -5.892 -8.968 1.00 0.00 C ATOM 943 CD1 LEU A 579 66.713 -4.883 -9.576 1.00 0.00 C ATOM 944 CD2 LEU A 579 66.553 -6.993 -8.269 1.00 0.00 C ATOM 0 H LEU A 579 63.255 -6.832 -9.007 1.00 0.00 H new ATOM 0 HA LEU A 579 64.672 -6.770 -6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 579 64.157 -4.490 -8.512 1.00 0.00 H new ATOM 0 HB3 LEU A 579 65.425 -4.545 -7.304 1.00 0.00 H new ATOM 0 HG LEU A 579 65.119 -6.349 -9.738 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.368 -5.390 -10.284 1.00 0.00 H new ATOM 0 HD12 LEU A 579 66.153 -4.104 -10.094 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.313 -4.433 -8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 579 67.192 -7.492 -8.998 1.00 0.00 H new ATOM 0 HD22 LEU A 579 67.171 -6.549 -7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 579 65.873 -7.720 -7.825 1.00 0.00 H new ATOM 956 N ILE A 580 61.869 -5.041 -6.689 1.00 0.00 N ATOM 957 CA ILE A 580 60.912 -4.297 -5.863 1.00 0.00 C ATOM 958 C ILE A 580 60.466 -5.140 -4.664 1.00 0.00 C ATOM 959 O ILE A 580 60.397 -4.641 -3.538 1.00 0.00 O ATOM 960 CB ILE A 580 59.695 -3.884 -6.708 1.00 0.00 C ATOM 961 CG1 ILE A 580 60.167 -3.019 -7.882 1.00 0.00 C ATOM 962 CG2 ILE A 580 58.712 -3.073 -5.852 1.00 0.00 C ATOM 963 CD1 ILE A 580 59.012 -2.811 -8.866 1.00 0.00 C ATOM 0 H ILE A 580 61.543 -5.254 -7.632 1.00 0.00 H new ATOM 0 HA ILE A 580 61.402 -3.399 -5.487 1.00 0.00 H new ATOM 0 HB ILE A 580 59.196 -4.780 -7.079 1.00 0.00 H new ATOM 0 HG12 ILE A 580 60.524 -2.056 -7.517 1.00 0.00 H new ATOM 0 HG13 ILE A 580 61.005 -3.499 -8.386 1.00 0.00 H new ATOM 0 HG21 ILE A 580 57.853 -2.785 -6.459 1.00 0.00 H new ATOM 0 HG22 ILE A 580 58.375 -3.680 -5.011 1.00 0.00 H new ATOM 0 HG23 ILE A 580 59.208 -2.178 -5.477 1.00 0.00 H new ATOM 0 HD11 ILE A 580 59.351 -2.196 -9.700 1.00 0.00 H new ATOM 0 HD12 ILE A 580 58.675 -3.777 -9.242 1.00 0.00 H new ATOM 0 HD13 ILE A 580 58.187 -2.312 -8.358 1.00 0.00 H new ATOM 975 N ALA A 581 60.165 -6.415 -4.912 1.00 0.00 N ATOM 976 CA ALA A 581 59.800 -7.340 -3.838 1.00 0.00 C ATOM 977 C ALA A 581 60.930 -7.466 -2.814 1.00 0.00 C ATOM 978 O ALA A 581 60.681 -7.647 -1.621 1.00 0.00 O ATOM 979 CB ALA A 581 59.484 -8.721 -4.420 1.00 0.00 C ATOM 0 H ALA A 581 60.167 -6.830 -5.844 1.00 0.00 H new ATOM 0 HA ALA A 581 58.918 -6.943 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 581 59.214 -9.403 -3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 581 58.653 -8.639 -5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 581 60.361 -9.105 -4.941 1.00 0.00 H new ATOM 985 N ALA A 582 62.168 -7.368 -3.294 1.00 0.00 N ATOM 986 CA ALA A 582 63.335 -7.395 -2.412 1.00 0.00 C ATOM 987 C ALA A 582 63.510 -6.070 -1.652 1.00 0.00 C ATOM 988 O ALA A 582 64.356 -5.976 -0.760 1.00 0.00 O ATOM 989 CB ALA A 582 64.595 -7.685 -3.231 1.00 0.00 C ATOM 0 H ALA A 582 62.390 -7.270 -4.285 1.00 0.00 H new ATOM 0 HA ALA A 582 63.176 -8.184 -1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 582 65.462 -7.704 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 582 64.494 -8.651 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 582 64.728 -6.906 -3.982 1.00 0.00 H new ATOM 995 N GLY A 583 62.716 -5.051 -2.000 1.00 0.00 N ATOM 996 CA GLY A 583 62.821 -3.745 -1.351 1.00 0.00 C ATOM 997 C GLY A 583 64.077 -2.989 -1.792 1.00 0.00 C ATOM 998 O GLY A 583 64.558 -2.108 -1.075 1.00 0.00 O ATOM 0 H GLY A 583 61.999 -5.107 -2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 583 61.938 -3.151 -1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 583 62.838 -3.877 -0.269 1.00 0.00 H new ATOM 1002 N ILE A 584 64.604 -3.335 -2.968 1.00 0.00 N ATOM 1003 CA ILE A 584 65.795 -2.667 -3.495 1.00 0.00 C ATOM 1004 C ILE A 584 65.407 -1.407 -4.266 1.00 0.00 C ATOM 1005 O ILE A 584 66.143 -0.418 -4.258 1.00 0.00 O ATOM 1006 CB ILE A 584 66.578 -3.611 -4.420 1.00 0.00 C ATOM 1007 CG1 ILE A 584 66.782 -4.965 -3.725 1.00 0.00 C ATOM 1008 CG2 ILE A 584 67.944 -2.996 -4.741 1.00 0.00 C ATOM 1009 CD1 ILE A 584 67.394 -5.979 -4.698 1.00 0.00 C ATOM 0 H ILE A 584 64.228 -4.068 -3.569 1.00 0.00 H new ATOM 0 HA ILE A 584 66.426 -2.389 -2.651 1.00 0.00 H new ATOM 0 HB ILE A 584 66.016 -3.757 -5.343 1.00 0.00 H new ATOM 0 HG12 ILE A 584 67.434 -4.842 -2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 584 65.827 -5.338 -3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 584 68.499 -3.666 -5.397 1.00 0.00 H new ATOM 0 HG22 ILE A 584 67.803 -2.036 -5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 584 68.503 -2.848 -3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 584 67.532 -6.933 -4.190 1.00 0.00 H new ATOM 0 HD12 ILE A 584 66.727 -6.115 -5.549 1.00 0.00 H new ATOM 0 HD13 ILE A 584 68.359 -5.611 -5.048 1.00 0.00 H new ATOM 1021 N ILE A 585 64.251 -1.446 -4.929 1.00 0.00 N ATOM 1022 CA ILE A 585 63.811 -0.325 -5.757 1.00 0.00 C ATOM 1023 C ILE A 585 62.398 0.101 -5.356 1.00 0.00 C ATOM 1024 O ILE A 585 61.535 -0.743 -5.108 1.00 0.00 O ATOM 1025 CB ILE A 585 63.838 -0.726 -7.239 1.00 0.00 C ATOM 1026 CG1 ILE A 585 65.235 -1.243 -7.607 1.00 0.00 C ATOM 1027 CG2 ILE A 585 63.504 0.488 -8.114 1.00 0.00 C ATOM 1028 CD1 ILE A 585 65.203 -1.873 -9.001 1.00 0.00 C ATOM 0 H ILE A 585 63.607 -2.236 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 585 64.489 0.515 -5.604 1.00 0.00 H new ATOM 0 HB ILE A 585 63.099 -1.509 -7.408 1.00 0.00 H new ATOM 0 HG12 ILE A 585 65.954 -0.424 -7.584 1.00 0.00 H new ATOM 0 HG13 ILE A 585 65.566 -1.978 -6.873 1.00 0.00 H new ATOM 0 HG21 ILE A 585 63.525 0.196 -9.164 1.00 0.00 H new ATOM 0 HG22 ILE A 585 62.511 0.857 -7.860 1.00 0.00 H new ATOM 0 HG23 ILE A 585 64.239 1.274 -7.941 1.00 0.00 H new ATOM 0 HD11 ILE A 585 66.197 -2.239 -9.258 1.00 0.00 H new ATOM 0 HD12 ILE A 585 64.498 -2.704 -9.009 1.00 0.00 H new ATOM 0 HD13 ILE A 585 64.891 -1.126 -9.731 1.00 0.00 H new ATOM 1040 N ARG A 586 62.175 1.413 -5.297 1.00 0.00 N ATOM 1041 CA ARG A 586 60.869 1.948 -4.923 1.00 0.00 C ATOM 1042 C ARG A 586 60.090 2.377 -6.163 1.00 0.00 C ATOM 1043 O ARG A 586 60.629 3.053 -7.040 1.00 0.00 O ATOM 1044 CB ARG A 586 61.045 3.147 -3.988 1.00 0.00 C ATOM 1045 CG ARG A 586 61.688 2.683 -2.679 1.00 0.00 C ATOM 1046 CD ARG A 586 61.734 3.850 -1.692 1.00 0.00 C ATOM 1047 NE ARG A 586 62.468 3.465 -0.486 1.00 0.00 N ATOM 1048 CZ ARG A 586 63.803 3.342 -0.467 1.00 0.00 C ATOM 1049 NH1 ARG A 586 64.525 3.562 -1.539 1.00 0.00 N ATOM 1050 NH2 ARG A 586 64.397 2.995 0.643 1.00 0.00 N ATOM 0 H ARG A 586 62.879 2.122 -5.503 1.00 0.00 H new ATOM 0 HA ARG A 586 60.310 1.166 -4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 586 61.668 3.904 -4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 586 60.079 3.610 -3.787 1.00 0.00 H new ATOM 0 HG2 ARG A 586 61.118 1.856 -2.255 1.00 0.00 H new ATOM 0 HG3 ARG A 586 62.696 2.312 -2.868 1.00 0.00 H new ATOM 0 HD2 ARG A 586 62.213 4.711 -2.158 1.00 0.00 H new ATOM 0 HD3 ARG A 586 60.721 4.153 -1.428 1.00 0.00 H new ATOM 0 HE ARG A 586 61.945 3.284 0.371 1.00 0.00 H new ATOM 0 HH11 ARG A 586 64.072 3.833 -2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 586 65.539 3.462 -1.500 1.00 0.00 H new ATOM 0 HH21 ARG A 586 63.846 2.821 1.483 1.00 0.00 H new ATOM 0 HH22 ARG A 586 65.412 2.898 0.670 1.00 0.00 H new ATOM 1064 N THR A 587 58.818 1.981 -6.225 1.00 0.00 N ATOM 1065 CA THR A 587 57.967 2.330 -7.361 1.00 0.00 C ATOM 1066 C THR A 587 56.562 2.693 -6.888 1.00 0.00 C ATOM 1067 O THR A 587 56.155 2.321 -5.786 1.00 0.00 O ATOM 1068 CB THR A 587 57.890 1.154 -8.338 1.00 0.00 C ATOM 1069 OG1 THR A 587 57.362 0.018 -7.667 1.00 0.00 O ATOM 1070 CG2 THR A 587 59.289 0.835 -8.867 1.00 0.00 C ATOM 0 H THR A 587 58.358 1.422 -5.507 1.00 0.00 H new ATOM 0 HA THR A 587 58.403 3.193 -7.865 1.00 0.00 H new ATOM 0 HB THR A 587 57.241 1.416 -9.174 1.00 0.00 H new ATOM 0 HG1 THR A 587 56.873 -0.542 -8.306 1.00 0.00 H new ATOM 0 HG21 THR A 587 59.233 -0.002 -9.562 1.00 0.00 H new ATOM 0 HG22 THR A 587 59.691 1.708 -9.382 1.00 0.00 H new ATOM 0 HG23 THR A 587 59.942 0.572 -8.034 1.00 0.00 H new ATOM 1078 N GLY A 588 55.828 3.420 -7.729 1.00 0.00 N ATOM 1079 CA GLY A 588 54.453 3.796 -7.408 1.00 0.00 C ATOM 1080 C GLY A 588 53.466 2.803 -8.012 1.00 0.00 C ATOM 1081 O GLY A 588 53.802 2.072 -8.944 1.00 0.00 O ATOM 0 H GLY A 588 56.160 3.758 -8.632 1.00 0.00 H new ATOM 0 HA2 GLY A 588 54.324 3.832 -6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 588 54.247 4.797 -7.787 1.00 0.00 H new ATOM 1085 N ARG A 589 52.243 2.781 -7.473 1.00 0.00 N ATOM 1086 CA ARG A 589 51.200 1.872 -7.961 1.00 0.00 C ATOM 1087 C ARG A 589 51.640 0.413 -7.838 1.00 0.00 C ATOM 1088 O ARG A 589 52.639 0.171 -7.181 1.00 0.00 O ATOM 1089 CB ARG A 589 50.864 2.184 -9.423 1.00 0.00 C ATOM 1090 CG ARG A 589 50.238 3.577 -9.517 1.00 0.00 C ATOM 1091 CD ARG A 589 49.782 3.837 -10.954 1.00 0.00 C ATOM 1092 NE ARG A 589 49.342 5.225 -11.104 1.00 0.00 N ATOM 1093 CZ ARG A 589 48.624 5.641 -12.159 1.00 0.00 C ATOM 1094 NH1 ARG A 589 48.278 4.814 -13.118 1.00 0.00 N ATOM 1095 NH2 ARG A 589 48.262 6.892 -12.232 1.00 0.00 N ATOM 1096 OXT ARG A 589 50.972 -0.436 -8.402 1.00 0.00 O ATOM 0 H ARG A 589 51.951 3.380 -6.701 1.00 0.00 H new ATOM 0 HA ARG A 589 50.313 2.021 -7.345 1.00 0.00 H new ATOM 0 HB2 ARG A 589 51.766 2.137 -10.033 1.00 0.00 H new ATOM 0 HB3 ARG A 589 50.175 1.437 -9.816 1.00 0.00 H new ATOM 0 HG2 ARG A 589 49.390 3.653 -8.836 1.00 0.00 H new ATOM 0 HG3 ARG A 589 50.961 4.333 -9.211 1.00 0.00 H new ATOM 0 HD2 ARG A 589 50.599 3.631 -11.645 1.00 0.00 H new ATOM 0 HD3 ARG A 589 48.968 3.160 -11.212 1.00 0.00 H new ATOM 0 HE ARG A 589 49.590 5.900 -10.381 1.00 0.00 H new ATOM 0 HH11 ARG A 589 48.555 3.833 -13.071 1.00 0.00 H new ATOM 0 HH12 ARG A 589 47.732 5.152 -13.911 1.00 0.00 H new ATOM 0 HH21 ARG A 589 48.525 7.543 -11.492 1.00 0.00 H new ATOM 0 HH22 ARG A 589 47.716 7.219 -13.029 1.00 0.00 H new TER 1110 ARG A 589