USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 625 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 609 SER OG : rot 88:sc= 0.878 USER MOD Set 1.2: A 610 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 551 TYR OH : rot 15:sc= -2.17! USER MOD Set 2.2: A 566 MET CE :methyl 171:sc= -2.86 (180deg=-2.69) USER MOD Set 3.1: A 550 HIS : no HE2:sc= -11.1! C(o=-13!,f=-15!) USER MOD Set 3.2: A 559 THR OG1 : rot -103:sc= -1.86! USER MOD Set 4.1: A 545 ASN :FLIP amide:sc= -1.77 F(o=-2.8,f=-1.5) USER MOD Set 4.2: A 546 SER OG : rot 55:sc= 0.244 USER MOD Set 5.1: A 537 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 578 THR OG1 : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -2.9! C(o=-2.9!,f=-3.1!) USER MOD Single : A 535 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0231) USER MOD Single : A 539 TYR OH : rot 165:sc= -1.05 USER MOD Single : A 540 TYR OH : rot 180:sc= 0 USER MOD Single : A 541 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 548 TYR OH : rot 180:sc= 0 USER MOD Single : A 557 SER OG : rot 180:sc= -0.433! USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.3!) USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 574 TYR OH : rot 180:sc= -0.0701 USER MOD Single : A 576 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 583 SER OG : rot 180:sc= 0 USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 GLN : amide:sc=-0.00898 X(o=-0.009,f=-0.16) USER MOD Single : A 592 ASN : amide:sc= -1.3 K(o=-1.3,f=-4.1!) USER MOD Single : A 595 ASN :FLIP amide:sc= -1.36 F(o=-1.9!,f=-1.4) USER MOD Single : A 596 ASN :FLIP amide:sc= 1.05 F(o=-0.067,f=1) USER MOD Single : A 597 ASN : amide:sc= -0.173 K(o=-0.17,f=-2.1!) USER MOD Single : A 605 ASN :FLIP amide:sc= -1.28! C(o=-2.9!,f=-1.3!) USER MOD Single : A 606 TYR OH : rot 180:sc= 0 USER MOD Single : A 612 THR OG1 : rot 180:sc= -0.0581 USER MOD Single : A 613 SER OG : rot -50:sc= 0.021 USER MOD Single : A 614 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 615 TYR OH : rot -135:sc= 0.746 USER MOD Single : A 616 THR OG1 : rot 180:sc= 0 USER MOD Single : A 625 THR OG1 : rot -27:sc= 0.667 USER MOD Single : A 628 THR OG1 : rot 180:sc= 0.169 USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N ASN A 534 -3.575 14.104 -7.173 1.00 0.00 N ATOM 44 CA ASN A 534 -2.815 12.940 -7.596 1.00 0.00 C ATOM 45 C ASN A 534 -3.180 11.748 -6.709 1.00 0.00 C ATOM 46 O ASN A 534 -3.506 11.921 -5.535 1.00 0.00 O ATOM 47 CB ASN A 534 -1.311 13.186 -7.463 1.00 0.00 C ATOM 48 CG ASN A 534 -0.966 14.648 -7.756 1.00 0.00 C ATOM 49 OD1 ASN A 534 -1.595 15.571 -7.265 1.00 0.00 O ATOM 50 ND2 ASN A 534 0.065 14.806 -8.581 1.00 0.00 N ATOM 0 HA ASN A 534 -3.057 12.741 -8.640 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -0.984 12.926 -6.456 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -0.770 12.536 -8.151 1.00 0.00 H new ATOM 0 HD21 ASN A 534 0.373 15.744 -8.838 1.00 0.00 H new ATOM 0 HD22 ASN A 534 0.548 13.990 -8.956 1.00 0.00 H new ATOM 57 N LYS A 535 -3.111 10.566 -7.303 1.00 0.00 N ATOM 58 CA LYS A 535 -3.430 9.346 -6.581 1.00 0.00 C ATOM 59 C LYS A 535 -2.477 8.234 -7.022 1.00 0.00 C ATOM 60 O LYS A 535 -2.050 8.198 -8.175 1.00 0.00 O ATOM 61 CB LYS A 535 -4.909 8.993 -6.752 1.00 0.00 C ATOM 62 CG LYS A 535 -5.806 10.120 -6.236 1.00 0.00 C ATOM 63 CD LYS A 535 -7.275 9.846 -6.565 1.00 0.00 C ATOM 64 CE LYS A 535 -8.091 9.633 -5.289 1.00 0.00 C ATOM 65 NZ LYS A 535 -9.044 8.513 -5.465 1.00 0.00 N ATOM 0 H LYS A 535 -2.839 10.427 -8.276 1.00 0.00 H new ATOM 0 HA LYS A 535 -3.282 9.487 -5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -5.123 8.807 -7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -5.131 8.072 -6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -5.684 10.222 -5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -5.500 11.066 -6.682 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -7.687 10.682 -7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -7.351 8.964 -7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -7.423 9.422 -4.454 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -8.634 10.545 -5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -9.714 8.499 -4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -9.567 8.639 -6.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -8.522 7.614 -5.494 1.00 0.00 H new ATOM 78 N VAL A 536 -2.171 7.352 -6.081 1.00 0.00 N ATOM 79 CA VAL A 536 -1.277 6.242 -6.358 1.00 0.00 C ATOM 80 C VAL A 536 -2.049 4.927 -6.233 1.00 0.00 C ATOM 81 O VAL A 536 -2.800 4.732 -5.278 1.00 0.00 O ATOM 82 CB VAL A 536 -0.058 6.309 -5.436 1.00 0.00 C ATOM 83 CG1 VAL A 536 1.142 5.594 -6.060 1.00 0.00 C ATOM 84 CG2 VAL A 536 0.288 7.759 -5.089 1.00 0.00 C ATOM 0 H VAL A 536 -2.527 7.385 -5.126 1.00 0.00 H new ATOM 0 HA VAL A 536 -0.900 6.302 -7.379 1.00 0.00 H new ATOM 0 HB VAL A 536 -0.311 5.793 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 536 1.995 5.657 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 536 0.892 4.547 -6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 536 1.395 6.068 -7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 536 1.158 7.778 -4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 536 0.511 8.309 -6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -0.558 8.224 -4.583 1.00 0.00 H new ATOM 94 N THR A 537 -1.837 4.058 -7.211 1.00 0.00 N ATOM 95 CA THR A 537 -2.504 2.767 -7.222 1.00 0.00 C ATOM 96 C THR A 537 -1.558 1.674 -6.723 1.00 0.00 C ATOM 97 O THR A 537 -0.434 1.552 -7.208 1.00 0.00 O ATOM 98 CB THR A 537 -3.028 2.518 -8.638 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.046 3.501 -8.809 1.00 0.00 O ATOM 100 CG2 THR A 537 -3.771 1.186 -8.761 1.00 0.00 C ATOM 0 H THR A 537 -1.213 4.223 -8.001 1.00 0.00 H new ATOM 0 HA THR A 537 -3.353 2.754 -6.539 1.00 0.00 H new ATOM 0 HB THR A 537 -2.196 2.536 -9.342 1.00 0.00 H new ATOM 0 HG1 THR A 537 -4.439 3.413 -9.702 1.00 0.00 H new ATOM 0 HG21 THR A 537 -4.122 1.058 -9.785 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.097 0.369 -8.504 1.00 0.00 H new ATOM 0 HG23 THR A 537 -4.624 1.181 -8.082 1.00 0.00 H new ATOM 108 N VAL A 538 -2.047 0.906 -5.761 1.00 0.00 N ATOM 109 CA VAL A 538 -1.259 -0.174 -5.191 1.00 0.00 C ATOM 110 C VAL A 538 -2.057 -1.477 -5.265 1.00 0.00 C ATOM 111 O VAL A 538 -3.214 -1.524 -4.850 1.00 0.00 O ATOM 112 CB VAL A 538 -0.832 0.186 -3.767 1.00 0.00 C ATOM 113 CG1 VAL A 538 0.453 -0.549 -3.377 1.00 0.00 C ATOM 114 CG2 VAL A 538 -0.667 1.699 -3.609 1.00 0.00 C ATOM 0 H VAL A 538 -2.980 1.010 -5.361 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.343 -0.322 -5.763 1.00 0.00 H new ATOM 0 HB VAL A 538 -1.622 -0.137 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 538 0.734 -0.275 -2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 538 0.287 -1.625 -3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 538 1.254 -0.271 -4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 538 -0.363 1.927 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 538 0.094 2.056 -4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 538 -1.615 2.193 -3.824 1.00 0.00 H new ATOM 124 N TYR A 539 -1.408 -2.502 -5.797 1.00 0.00 N ATOM 125 CA TYR A 539 -2.043 -3.802 -5.931 1.00 0.00 C ATOM 126 C TYR A 539 -1.307 -4.859 -5.106 1.00 0.00 C ATOM 127 O TYR A 539 -0.130 -5.126 -5.341 1.00 0.00 O ATOM 128 CB TYR A 539 -1.945 -4.169 -7.413 1.00 0.00 C ATOM 129 CG TYR A 539 -3.294 -4.218 -8.133 1.00 0.00 C ATOM 130 CD1 TYR A 539 -3.961 -3.047 -8.429 1.00 0.00 C ATOM 131 CD2 TYR A 539 -3.843 -5.434 -8.487 1.00 0.00 C ATOM 132 CE1 TYR A 539 -5.231 -3.093 -9.106 1.00 0.00 C ATOM 133 CE2 TYR A 539 -5.113 -5.480 -9.165 1.00 0.00 C ATOM 134 CZ TYR A 539 -5.744 -4.308 -9.441 1.00 0.00 C ATOM 135 OH TYR A 539 -6.943 -4.351 -10.081 1.00 0.00 O ATOM 0 H TYR A 539 -0.449 -2.459 -6.140 1.00 0.00 H new ATOM 0 HA TYR A 539 -3.073 -3.764 -5.577 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -1.303 -3.444 -7.914 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -1.460 -5.141 -7.505 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -3.530 -2.096 -8.153 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -3.321 -6.350 -8.256 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -5.764 -2.184 -9.342 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -5.554 -6.424 -9.448 1.00 0.00 H new ATOM 0 HH TYR A 539 -7.075 -5.241 -10.469 1.00 0.00 H new ATOM 145 N TYR A 540 -2.032 -5.433 -4.156 1.00 0.00 N ATOM 146 CA TYR A 540 -1.462 -6.455 -3.295 1.00 0.00 C ATOM 147 C TYR A 540 -2.193 -7.788 -3.469 1.00 0.00 C ATOM 148 O TYR A 540 -3.419 -7.820 -3.567 1.00 0.00 O ATOM 149 CB TYR A 540 -1.664 -5.960 -1.862 1.00 0.00 C ATOM 150 CG TYR A 540 -1.534 -7.054 -0.801 1.00 0.00 C ATOM 151 CD1 TYR A 540 -0.556 -8.020 -0.923 1.00 0.00 C ATOM 152 CD2 TYR A 540 -2.395 -7.075 0.278 1.00 0.00 C ATOM 153 CE1 TYR A 540 -0.434 -9.050 0.076 1.00 0.00 C ATOM 154 CE2 TYR A 540 -2.272 -8.105 1.277 1.00 0.00 C ATOM 155 CZ TYR A 540 -1.298 -9.042 1.126 1.00 0.00 C ATOM 156 OH TYR A 540 -1.182 -10.015 2.070 1.00 0.00 O ATOM 0 H TYR A 540 -3.009 -5.209 -3.964 1.00 0.00 H new ATOM 0 HA TYR A 540 -0.412 -6.618 -3.537 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -0.935 -5.177 -1.653 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -2.652 -5.506 -1.781 1.00 0.00 H new ATOM 0 HD1 TYR A 540 0.117 -8.004 -1.767 1.00 0.00 H new ATOM 0 HD2 TYR A 540 -3.161 -6.319 0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 540 0.327 -9.812 -0.007 1.00 0.00 H new ATOM 0 HE2 TYR A 540 -2.938 -8.133 2.127 1.00 0.00 H new ATOM 0 HH TYR A 540 -1.864 -9.883 2.761 1.00 0.00 H new ATOM 166 N LYS A 541 -1.410 -8.856 -3.502 1.00 0.00 N ATOM 167 CA LYS A 541 -1.967 -10.188 -3.662 1.00 0.00 C ATOM 168 C LYS A 541 -2.190 -10.813 -2.283 1.00 0.00 C ATOM 169 O LYS A 541 -1.234 -11.071 -1.553 1.00 0.00 O ATOM 170 CB LYS A 541 -1.083 -11.031 -4.584 1.00 0.00 C ATOM 171 CG LYS A 541 -1.912 -12.079 -5.330 1.00 0.00 C ATOM 172 CD LYS A 541 -1.045 -12.859 -6.321 1.00 0.00 C ATOM 173 CE LYS A 541 -0.690 -14.241 -5.768 1.00 0.00 C ATOM 174 NZ LYS A 541 0.306 -14.906 -6.637 1.00 0.00 N ATOM 0 H LYS A 541 -0.394 -8.826 -3.421 1.00 0.00 H new ATOM 0 HA LYS A 541 -2.940 -10.138 -4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.578 -10.384 -5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 541 -0.307 -11.525 -3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -2.363 -12.767 -4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -2.729 -11.591 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -1.575 -12.967 -7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 541 -0.132 -12.301 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -0.293 -14.144 -4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -1.589 -14.854 -5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 0.536 -15.843 -6.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 -0.086 -15.016 -7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 1.169 -14.328 -6.681 1.00 0.00 H new ATOM 187 N LYS A 542 -3.457 -11.038 -1.968 1.00 0.00 N ATOM 188 CA LYS A 542 -3.817 -11.627 -0.690 1.00 0.00 C ATOM 189 C LYS A 542 -3.712 -13.150 -0.788 1.00 0.00 C ATOM 190 O LYS A 542 -4.043 -13.734 -1.818 1.00 0.00 O ATOM 191 CB LYS A 542 -5.194 -11.133 -0.241 1.00 0.00 C ATOM 192 CG LYS A 542 -5.939 -12.220 0.536 1.00 0.00 C ATOM 193 CD LYS A 542 -7.150 -11.637 1.268 1.00 0.00 C ATOM 194 CE LYS A 542 -8.067 -10.887 0.300 1.00 0.00 C ATOM 195 NZ LYS A 542 -9.488 -11.149 0.622 1.00 0.00 N ATOM 0 H LYS A 542 -4.247 -10.823 -2.576 1.00 0.00 H new ATOM 0 HA LYS A 542 -3.121 -11.308 0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -5.081 -10.247 0.384 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -5.780 -10.837 -1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -6.265 -13.003 -0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -5.265 -12.686 1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -7.706 -12.439 1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -6.814 -10.961 2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -7.867 -9.817 0.356 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -7.857 -11.198 -0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -10.096 -10.632 -0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -9.679 -12.168 0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -9.689 -10.831 1.592 1.00 0.00 H new ATOM 208 N GLY A 543 -3.250 -13.750 0.299 1.00 0.00 N ATOM 209 CA GLY A 543 -2.880 -12.984 1.478 1.00 0.00 C ATOM 210 C GLY A 543 -3.226 -13.747 2.758 1.00 0.00 C ATOM 211 O GLY A 543 -2.880 -14.919 2.900 1.00 0.00 O ATOM 0 H GLY A 543 -3.123 -14.758 0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -1.812 -12.769 1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -3.398 -12.025 1.471 1.00 0.00 H new ATOM 215 N PHE A 544 -3.906 -13.051 3.658 1.00 0.00 N ATOM 216 CA PHE A 544 -4.302 -13.648 4.922 1.00 0.00 C ATOM 217 C PHE A 544 -5.823 -13.795 5.005 1.00 0.00 C ATOM 218 O PHE A 544 -6.428 -14.491 4.191 1.00 0.00 O ATOM 219 CB PHE A 544 -3.832 -12.703 6.030 1.00 0.00 C ATOM 220 CG PHE A 544 -2.329 -12.421 6.010 1.00 0.00 C ATOM 221 CD1 PHE A 544 -1.785 -11.701 4.991 1.00 0.00 C ATOM 222 CD2 PHE A 544 -1.535 -12.889 7.010 1.00 0.00 C ATOM 223 CE1 PHE A 544 -0.390 -11.439 4.973 1.00 0.00 C ATOM 224 CE2 PHE A 544 -0.140 -12.627 6.992 1.00 0.00 C ATOM 225 CZ PHE A 544 0.403 -11.907 5.973 1.00 0.00 C ATOM 0 H PHE A 544 -4.193 -12.080 3.537 1.00 0.00 H new ATOM 0 HA PHE A 544 -3.861 -14.640 5.020 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -4.370 -11.759 5.941 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -4.098 -13.131 6.996 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -2.415 -11.329 4.196 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -1.966 -13.461 7.819 1.00 0.00 H new ATOM 0 HE1 PHE A 544 0.042 -10.868 4.164 1.00 0.00 H new ATOM 0 HE2 PHE A 544 0.490 -12.999 7.787 1.00 0.00 H new ATOM 0 HZ PHE A 544 1.464 -11.707 5.959 1.00 0.00 H new ATOM 235 N ASN A 545 -6.397 -13.130 5.997 1.00 0.00 N ATOM 236 CA ASN A 545 -7.835 -13.178 6.197 1.00 0.00 C ATOM 237 C ASN A 545 -8.416 -11.772 6.031 1.00 0.00 C ATOM 238 O ASN A 545 -9.354 -11.571 5.262 1.00 0.00 O ATOM 239 CB ASN A 545 -8.179 -13.668 7.605 1.00 0.00 C ATOM 240 CG ASN A 545 -7.290 -12.995 8.653 1.00 0.00 C ATOM 241 OD1 ASN A 545 -6.039 -13.445 8.671 1.00 0.00 O flip ATOM 242 ND2 ASN A 545 -7.713 -12.124 9.395 1.00 0.00 N flip ATOM 0 H ASN A 545 -5.892 -12.555 6.671 1.00 0.00 H new ATOM 0 HA ASN A 545 -8.255 -13.866 5.463 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -9.226 -13.457 7.822 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -8.055 -14.750 7.658 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -8.686 -11.825 9.328 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -7.094 -11.695 10.082 1.00 0.00 H new ATOM 249 N SER A 546 -7.834 -10.836 6.766 1.00 0.00 N ATOM 250 CA SER A 546 -8.283 -9.455 6.710 1.00 0.00 C ATOM 251 C SER A 546 -7.206 -8.531 7.284 1.00 0.00 C ATOM 252 O SER A 546 -7.431 -7.858 8.289 1.00 0.00 O ATOM 253 CB SER A 546 -9.598 -9.271 7.469 1.00 0.00 C ATOM 254 OG SER A 546 -9.493 -9.686 8.828 1.00 0.00 O ATOM 0 H SER A 546 -7.056 -11.006 7.403 1.00 0.00 H new ATOM 0 HA SER A 546 -8.458 -9.195 5.666 1.00 0.00 H new ATOM 0 HB2 SER A 546 -9.894 -8.223 7.432 1.00 0.00 H new ATOM 0 HB3 SER A 546 -10.384 -9.842 6.975 1.00 0.00 H new ATOM 0 HG SER A 546 -8.749 -9.214 9.258 1.00 0.00 H new ATOM 260 N PRO A 547 -6.029 -8.528 6.603 1.00 0.00 N ATOM 261 CA PRO A 547 -4.917 -7.698 7.035 1.00 0.00 C ATOM 262 C PRO A 547 -5.162 -6.229 6.686 1.00 0.00 C ATOM 263 O PRO A 547 -5.960 -5.922 5.802 1.00 0.00 O ATOM 264 CB PRO A 547 -3.698 -8.280 6.337 1.00 0.00 C ATOM 265 CG PRO A 547 -4.235 -9.114 5.185 1.00 0.00 C ATOM 266 CD PRO A 547 -5.726 -9.312 5.410 1.00 0.00 C ATOM 0 HA PRO A 547 -4.781 -7.705 8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -3.042 -7.489 5.974 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -3.111 -8.892 7.022 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -4.055 -8.612 4.234 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -3.724 -10.076 5.139 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -6.305 -8.968 4.553 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -5.968 -10.365 5.556 1.00 0.00 H new ATOM 274 N TYR A 548 -4.460 -5.360 7.398 1.00 0.00 N ATOM 275 CA TYR A 548 -4.591 -3.930 7.175 1.00 0.00 C ATOM 276 C TYR A 548 -3.315 -3.352 6.561 1.00 0.00 C ATOM 277 O TYR A 548 -2.257 -3.977 6.616 1.00 0.00 O ATOM 278 CB TYR A 548 -4.808 -3.306 8.555 1.00 0.00 C ATOM 279 CG TYR A 548 -6.274 -3.015 8.883 1.00 0.00 C ATOM 280 CD1 TYR A 548 -6.897 -1.912 8.337 1.00 0.00 C ATOM 281 CD2 TYR A 548 -6.972 -3.856 9.725 1.00 0.00 C ATOM 282 CE1 TYR A 548 -8.277 -1.638 8.646 1.00 0.00 C ATOM 283 CE2 TYR A 548 -8.352 -3.583 10.034 1.00 0.00 C ATOM 284 CZ TYR A 548 -8.936 -2.487 9.479 1.00 0.00 C ATOM 285 OH TYR A 548 -10.239 -2.228 9.770 1.00 0.00 O ATOM 0 H TYR A 548 -3.798 -5.619 8.130 1.00 0.00 H new ATOM 0 HA TYR A 548 -5.412 -3.722 6.489 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -4.403 -3.976 9.313 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -4.241 -2.377 8.615 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -6.350 -1.254 7.678 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -6.484 -4.719 10.152 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -8.777 -0.778 8.226 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -8.910 -4.233 10.691 1.00 0.00 H new ATOM 0 HH TYR A 548 -10.582 -2.918 10.376 1.00 0.00 H new ATOM 295 N ILE A 549 -3.456 -2.164 5.991 1.00 0.00 N ATOM 296 CA ILE A 549 -2.327 -1.494 5.368 1.00 0.00 C ATOM 297 C ILE A 549 -2.139 -0.118 6.009 1.00 0.00 C ATOM 298 O ILE A 549 -3.113 0.584 6.278 1.00 0.00 O ATOM 299 CB ILE A 549 -2.504 -1.446 3.849 1.00 0.00 C ATOM 300 CG1 ILE A 549 -3.270 -0.191 3.425 1.00 0.00 C ATOM 301 CG2 ILE A 549 -3.169 -2.724 3.334 1.00 0.00 C ATOM 302 CD1 ILE A 549 -4.109 -0.456 2.174 1.00 0.00 C ATOM 0 H ILE A 549 -4.335 -1.648 5.948 1.00 0.00 H new ATOM 0 HA ILE A 549 -1.408 -2.055 5.541 1.00 0.00 H new ATOM 0 HB ILE A 549 -1.516 -1.390 3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -3.917 0.136 4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -2.568 0.620 3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.283 -2.664 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -2.549 -3.584 3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -4.150 -2.836 3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -4.643 0.452 1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -3.456 -0.759 1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -4.827 -1.250 2.379 1.00 0.00 H new ATOM 314 N HIS A 550 -0.880 0.228 6.234 1.00 0.00 N ATOM 315 CA HIS A 550 -0.552 1.508 6.839 1.00 0.00 C ATOM 316 C HIS A 550 0.463 2.244 5.962 1.00 0.00 C ATOM 317 O HIS A 550 1.600 1.799 5.816 1.00 0.00 O ATOM 318 CB HIS A 550 -0.068 1.321 8.278 1.00 0.00 C ATOM 319 CG HIS A 550 -0.059 2.592 9.093 1.00 0.00 C ATOM 320 ND1 HIS A 550 -0.428 2.631 10.426 1.00 0.00 N ATOM 321 CD2 HIS A 550 0.280 3.868 8.750 1.00 0.00 C ATOM 322 CE1 HIS A 550 -0.314 3.879 10.855 1.00 0.00 C ATOM 323 NE2 HIS A 550 0.124 4.645 9.815 1.00 0.00 N ATOM 0 H HIS A 550 -0.075 -0.356 6.008 1.00 0.00 H new ATOM 0 HA HIS A 550 -1.447 2.128 6.897 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -0.706 0.589 8.773 1.00 0.00 H new ATOM 0 HB3 HIS A 550 0.940 0.906 8.260 1.00 0.00 H new ATOM 0 HD1 HIS A 550 -0.736 1.834 10.984 1.00 0.00 H new ATOM 0 HD2 HIS A 550 0.618 4.191 7.777 1.00 0.00 H new ATOM 0 HE1 HIS A 550 -0.530 4.229 11.854 1.00 0.00 H new ATOM 331 N TYR A 551 0.016 3.358 5.402 1.00 0.00 N ATOM 332 CA TYR A 551 0.871 4.160 4.544 1.00 0.00 C ATOM 333 C TYR A 551 1.165 5.520 5.180 1.00 0.00 C ATOM 334 O TYR A 551 0.490 5.927 6.125 1.00 0.00 O ATOM 335 CB TYR A 551 0.086 4.375 3.249 1.00 0.00 C ATOM 336 CG TYR A 551 -0.348 3.079 2.562 1.00 0.00 C ATOM 337 CD1 TYR A 551 0.172 1.870 2.977 1.00 0.00 C ATOM 338 CD2 TYR A 551 -1.259 3.119 1.526 1.00 0.00 C ATOM 339 CE1 TYR A 551 -0.237 0.650 2.331 1.00 0.00 C ATOM 340 CE2 TYR A 551 -1.668 1.899 0.879 1.00 0.00 C ATOM 341 CZ TYR A 551 -1.136 0.725 1.314 1.00 0.00 C ATOM 342 OH TYR A 551 -1.522 -0.428 0.703 1.00 0.00 O ATOM 0 H TYR A 551 -0.928 3.724 5.526 1.00 0.00 H new ATOM 0 HA TYR A 551 1.825 3.659 4.377 1.00 0.00 H new ATOM 0 HB2 TYR A 551 -0.799 4.972 3.468 1.00 0.00 H new ATOM 0 HB3 TYR A 551 0.698 4.954 2.557 1.00 0.00 H new ATOM 0 HD1 TYR A 551 0.886 1.839 3.787 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -1.665 4.065 1.200 1.00 0.00 H new ATOM 0 HE1 TYR A 551 0.161 -0.303 2.647 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -2.380 1.916 0.067 1.00 0.00 H new ATOM 0 HH TYR A 551 -1.259 -1.194 1.254 1.00 0.00 H new ATOM 352 N ARG A 552 2.173 6.186 4.637 1.00 0.00 N ATOM 353 CA ARG A 552 2.565 7.492 5.140 1.00 0.00 C ATOM 354 C ARG A 552 3.140 8.346 4.008 1.00 0.00 C ATOM 355 O ARG A 552 3.912 7.854 3.186 1.00 0.00 O ATOM 356 CB ARG A 552 3.606 7.364 6.253 1.00 0.00 C ATOM 357 CG ARG A 552 4.541 8.576 6.271 1.00 0.00 C ATOM 358 CD ARG A 552 5.060 8.846 7.685 1.00 0.00 C ATOM 359 NE ARG A 552 6.472 8.416 7.796 1.00 0.00 N ATOM 360 CZ ARG A 552 7.342 8.904 8.705 1.00 0.00 C ATOM 361 NH1 ARG A 552 6.952 9.845 9.591 1.00 0.00 N ATOM 362 NH2 ARG A 552 8.581 8.447 8.715 1.00 0.00 N ATOM 0 H ARG A 552 2.730 5.846 3.853 1.00 0.00 H new ATOM 0 HA ARG A 552 1.674 7.972 5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 552 3.104 7.273 7.216 1.00 0.00 H new ATOM 0 HB3 ARG A 552 4.188 6.453 6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 552 5.381 8.402 5.598 1.00 0.00 H new ATOM 0 HG3 ARG A 552 4.012 9.454 5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 552 4.975 9.908 7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 552 4.450 8.312 8.413 1.00 0.00 H new ATOM 0 HE ARG A 552 6.808 7.707 7.145 1.00 0.00 H new ATOM 0 HH11 ARG A 552 5.993 10.193 9.577 1.00 0.00 H new ATOM 0 HH12 ARG A 552 7.616 10.208 10.275 1.00 0.00 H new ATOM 0 HH21 ARG A 552 8.868 7.736 8.042 1.00 0.00 H new ATOM 0 HH22 ARG A 552 9.251 8.805 9.395 1.00 0.00 H new ATOM 375 N PRO A 553 2.732 9.643 4.002 1.00 0.00 N ATOM 376 CA PRO A 553 3.199 10.570 2.984 1.00 0.00 C ATOM 377 C PRO A 553 4.646 10.990 3.248 1.00 0.00 C ATOM 378 O PRO A 553 5.135 10.874 4.371 1.00 0.00 O ATOM 379 CB PRO A 553 2.224 11.734 3.035 1.00 0.00 C ATOM 380 CG PRO A 553 1.527 11.636 4.383 1.00 0.00 C ATOM 381 CD PRO A 553 1.819 10.260 4.959 1.00 0.00 C ATOM 0 HA PRO A 553 3.218 10.127 1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 553 2.746 12.685 2.934 1.00 0.00 H new ATOM 0 HB3 PRO A 553 1.504 11.677 2.218 1.00 0.00 H new ATOM 0 HG2 PRO A 553 1.885 12.415 5.056 1.00 0.00 H new ATOM 0 HG3 PRO A 553 0.453 11.782 4.269 1.00 0.00 H new ATOM 0 HD2 PRO A 553 2.272 10.333 5.948 1.00 0.00 H new ATOM 0 HD3 PRO A 553 0.906 9.675 5.069 1.00 0.00 H new ATOM 389 N ALA A 554 5.291 11.470 2.195 1.00 0.00 N ATOM 390 CA ALA A 554 6.672 11.909 2.299 1.00 0.00 C ATOM 391 C ALA A 554 6.915 12.490 3.694 1.00 0.00 C ATOM 392 O ALA A 554 7.620 11.892 4.505 1.00 0.00 O ATOM 393 CB ALA A 554 6.974 12.916 1.188 1.00 0.00 C ATOM 0 H ALA A 554 4.882 11.565 1.265 1.00 0.00 H new ATOM 0 HA ALA A 554 7.352 11.067 2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 554 8.010 13.245 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 554 6.815 12.446 0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 554 6.312 13.776 1.287 1.00 0.00 H new ATOM 399 N GLY A 555 6.317 13.648 3.929 1.00 0.00 N ATOM 400 CA GLY A 555 6.459 14.317 5.212 1.00 0.00 C ATOM 401 C GLY A 555 5.108 14.826 5.718 1.00 0.00 C ATOM 402 O GLY A 555 4.766 15.991 5.521 1.00 0.00 O ATOM 0 H GLY A 555 5.733 14.141 3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 555 6.888 13.628 5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 555 7.153 15.152 5.116 1.00 0.00 H new ATOM 406 N GLY A 556 4.376 13.927 6.359 1.00 0.00 N ATOM 407 CA GLY A 556 3.070 14.271 6.895 1.00 0.00 C ATOM 408 C GLY A 556 2.828 13.579 8.238 1.00 0.00 C ATOM 409 O GLY A 556 3.159 14.124 9.290 1.00 0.00 O ATOM 0 H GLY A 556 4.662 12.961 6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 556 2.998 15.351 7.020 1.00 0.00 H new ATOM 0 HA3 GLY A 556 2.294 13.980 6.187 1.00 0.00 H new ATOM 413 N SER A 557 2.253 12.388 8.158 1.00 0.00 N ATOM 414 CA SER A 557 1.963 11.615 9.355 1.00 0.00 C ATOM 415 C SER A 557 1.738 10.147 8.988 1.00 0.00 C ATOM 416 O SER A 557 1.861 9.768 7.824 1.00 0.00 O ATOM 417 CB SER A 557 0.742 12.173 10.088 1.00 0.00 C ATOM 418 OG SER A 557 0.294 11.298 11.120 1.00 0.00 O ATOM 0 H SER A 557 1.980 11.939 7.284 1.00 0.00 H new ATOM 0 HA SER A 557 2.819 11.688 10.025 1.00 0.00 H new ATOM 0 HB2 SER A 557 0.989 13.144 10.518 1.00 0.00 H new ATOM 0 HB3 SER A 557 -0.066 12.336 9.375 1.00 0.00 H new ATOM 0 HG SER A 557 -0.486 11.690 11.566 1.00 0.00 H new ATOM 424 N TRP A 558 1.411 9.360 10.002 1.00 0.00 N ATOM 425 CA TRP A 558 1.167 7.942 9.801 1.00 0.00 C ATOM 426 C TRP A 558 -0.336 7.696 9.946 1.00 0.00 C ATOM 427 O TRP A 558 -0.885 7.815 11.040 1.00 0.00 O ATOM 428 CB TRP A 558 2.007 7.099 10.763 1.00 0.00 C ATOM 429 CG TRP A 558 3.467 6.936 10.335 1.00 0.00 C ATOM 430 CD1 TRP A 558 4.550 7.527 10.857 1.00 0.00 C ATOM 431 CD2 TRP A 558 3.962 6.099 9.269 1.00 0.00 C ATOM 432 NE1 TRP A 558 5.703 7.133 10.208 1.00 0.00 N ATOM 433 CE2 TRP A 558 5.333 6.237 9.211 1.00 0.00 C ATOM 434 CE3 TRP A 558 3.273 5.252 8.382 1.00 0.00 C ATOM 435 CZ2 TRP A 558 6.134 5.560 8.284 1.00 0.00 C ATOM 436 CZ3 TRP A 558 4.088 4.582 7.462 1.00 0.00 C ATOM 437 CH2 TRP A 558 5.470 4.711 7.391 1.00 0.00 C ATOM 0 H TRP A 558 1.309 9.678 10.966 1.00 0.00 H new ATOM 0 HA TRP A 558 1.475 7.635 8.801 1.00 0.00 H new ATOM 0 HB2 TRP A 558 1.978 7.557 11.752 1.00 0.00 H new ATOM 0 HB3 TRP A 558 1.554 6.112 10.856 1.00 0.00 H new ATOM 0 HD1 TRP A 558 4.524 8.224 11.682 1.00 0.00 H new ATOM 0 HE1 TRP A 558 6.651 7.442 10.421 1.00 0.00 H new ATOM 0 HE3 TRP A 558 2.200 5.128 8.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 7.206 5.686 8.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 3.609 3.918 6.758 1.00 0.00 H new ATOM 0 HH2 TRP A 558 6.029 4.159 6.650 1.00 0.00 H new ATOM 448 N THR A 559 -0.959 7.356 8.827 1.00 0.00 N ATOM 449 CA THR A 559 -2.387 7.091 8.816 1.00 0.00 C ATOM 450 C THR A 559 -2.826 6.474 10.146 1.00 0.00 C ATOM 451 O THR A 559 -2.090 5.690 10.743 1.00 0.00 O ATOM 452 CB THR A 559 -2.695 6.208 7.606 1.00 0.00 C ATOM 453 OG1 THR A 559 -1.776 5.126 7.723 1.00 0.00 O ATOM 454 CG2 THR A 559 -2.318 6.876 6.282 1.00 0.00 C ATOM 0 H THR A 559 -0.500 7.258 7.921 1.00 0.00 H new ATOM 0 HA THR A 559 -2.959 8.014 8.717 1.00 0.00 H new ATOM 0 HB THR A 559 -3.757 5.961 7.598 1.00 0.00 H new ATOM 0 HG1 THR A 559 -1.037 5.255 7.092 1.00 0.00 H new ATOM 0 HG21 THR A 559 -2.557 6.207 5.456 1.00 0.00 H new ATOM 0 HG22 THR A 559 -2.878 7.805 6.171 1.00 0.00 H new ATOM 0 HG23 THR A 559 -1.250 7.093 6.275 1.00 0.00 H new ATOM 462 N ALA A 560 -4.022 6.852 10.571 1.00 0.00 N ATOM 463 CA ALA A 560 -4.568 6.346 11.819 1.00 0.00 C ATOM 464 C ALA A 560 -4.574 4.816 11.784 1.00 0.00 C ATOM 465 O ALA A 560 -5.385 4.211 11.086 1.00 0.00 O ATOM 466 CB ALA A 560 -5.964 6.930 12.040 1.00 0.00 C ATOM 0 H ALA A 560 -4.629 7.503 10.073 1.00 0.00 H new ATOM 0 HA ALA A 560 -3.949 6.654 12.662 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -6.373 6.550 12.976 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -5.900 8.017 12.086 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -6.615 6.639 11.215 1.00 0.00 H new ATOM 472 N ALA A 561 -3.660 4.235 12.548 1.00 0.00 N ATOM 473 CA ALA A 561 -3.550 2.788 12.613 1.00 0.00 C ATOM 474 C ALA A 561 -4.823 2.212 13.235 1.00 0.00 C ATOM 475 O ALA A 561 -5.280 2.685 14.275 1.00 0.00 O ATOM 476 CB ALA A 561 -2.293 2.406 13.398 1.00 0.00 C ATOM 0 H ALA A 561 -2.989 4.740 13.127 1.00 0.00 H new ATOM 0 HA ALA A 561 -3.451 2.365 11.613 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -2.210 1.320 13.447 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -1.414 2.815 12.899 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -2.358 2.811 14.408 1.00 0.00 H new ATOM 482 N PRO A 562 -5.375 1.171 12.555 1.00 0.00 N ATOM 483 CA PRO A 562 -4.771 0.673 11.331 1.00 0.00 C ATOM 484 C PRO A 562 -5.036 1.623 10.162 1.00 0.00 C ATOM 485 O PRO A 562 -6.123 2.188 10.050 1.00 0.00 O ATOM 486 CB PRO A 562 -5.378 -0.706 11.126 1.00 0.00 C ATOM 487 CG PRO A 562 -6.637 -0.738 11.978 1.00 0.00 C ATOM 488 CD PRO A 562 -6.585 0.445 12.931 1.00 0.00 C ATOM 0 HA PRO A 562 -3.685 0.610 11.393 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -5.613 -0.877 10.075 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -4.682 -1.488 11.428 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -7.525 -0.682 11.349 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -6.698 -1.674 12.534 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -7.470 1.073 12.832 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -6.543 0.116 13.969 1.00 0.00 H new ATOM 496 N GLY A 563 -4.024 1.770 9.319 1.00 0.00 N ATOM 497 CA GLY A 563 -4.134 2.642 8.162 1.00 0.00 C ATOM 498 C GLY A 563 -5.503 2.496 7.494 1.00 0.00 C ATOM 499 O GLY A 563 -6.482 3.093 7.940 1.00 0.00 O ATOM 0 H GLY A 563 -3.124 1.300 9.414 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -3.983 3.678 8.467 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -3.348 2.402 7.446 1.00 0.00 H new ATOM 503 N VAL A 564 -5.528 1.699 6.436 1.00 0.00 N ATOM 504 CA VAL A 564 -6.760 1.468 5.702 1.00 0.00 C ATOM 505 C VAL A 564 -6.900 -0.027 5.406 1.00 0.00 C ATOM 506 O VAL A 564 -5.907 -0.752 5.376 1.00 0.00 O ATOM 507 CB VAL A 564 -6.788 2.332 4.440 1.00 0.00 C ATOM 508 CG1 VAL A 564 -8.226 2.649 4.023 1.00 0.00 C ATOM 509 CG2 VAL A 564 -5.979 3.616 4.637 1.00 0.00 C ATOM 0 H VAL A 564 -4.714 1.205 6.070 1.00 0.00 H new ATOM 0 HA VAL A 564 -7.622 1.763 6.301 1.00 0.00 H new ATOM 0 HB VAL A 564 -6.324 1.763 3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -8.217 3.264 3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -8.760 1.720 3.822 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -8.727 3.189 4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -6.015 4.212 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -6.401 4.189 5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -4.943 3.362 4.864 1.00 0.00 H new ATOM 519 N LYS A 565 -8.140 -0.442 5.196 1.00 0.00 N ATOM 520 CA LYS A 565 -8.422 -1.837 4.904 1.00 0.00 C ATOM 521 C LYS A 565 -8.428 -2.046 3.388 1.00 0.00 C ATOM 522 O LYS A 565 -9.338 -1.588 2.698 1.00 0.00 O ATOM 523 CB LYS A 565 -9.717 -2.277 5.590 1.00 0.00 C ATOM 524 CG LYS A 565 -9.753 -3.796 5.770 1.00 0.00 C ATOM 525 CD LYS A 565 -10.632 -4.454 4.705 1.00 0.00 C ATOM 526 CE LYS A 565 -11.087 -5.845 5.152 1.00 0.00 C ATOM 527 NZ LYS A 565 -10.548 -6.883 4.244 1.00 0.00 N ATOM 0 H LYS A 565 -8.961 0.163 5.222 1.00 0.00 H new ATOM 0 HA LYS A 565 -7.639 -2.477 5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -9.802 -1.790 6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -10.574 -1.957 4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -8.741 -4.197 5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -10.134 -4.039 6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -11.503 -3.828 4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -10.079 -4.532 3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -10.750 -6.034 6.171 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -12.176 -5.892 5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -10.866 -7.821 4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -10.890 -6.710 3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -9.509 -6.848 4.255 1.00 0.00 H new ATOM 540 N MET A 566 -7.401 -2.736 2.913 1.00 0.00 N ATOM 541 CA MET A 566 -7.277 -3.010 1.492 1.00 0.00 C ATOM 542 C MET A 566 -8.645 -3.287 0.865 1.00 0.00 C ATOM 543 O MET A 566 -9.583 -3.675 1.560 1.00 0.00 O ATOM 544 CB MET A 566 -6.365 -4.221 1.283 1.00 0.00 C ATOM 545 CG MET A 566 -4.897 -3.796 1.211 1.00 0.00 C ATOM 546 SD MET A 566 -4.275 -4.027 -0.446 1.00 0.00 S ATOM 547 CE MET A 566 -2.920 -2.866 -0.434 1.00 0.00 C ATOM 0 H MET A 566 -6.647 -3.113 3.487 1.00 0.00 H new ATOM 0 HA MET A 566 -6.848 -2.133 1.008 1.00 0.00 H new ATOM 0 HB2 MET A 566 -6.503 -4.930 2.100 1.00 0.00 H new ATOM 0 HB3 MET A 566 -6.644 -4.736 0.364 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.798 -2.751 1.503 1.00 0.00 H new ATOM 0 HG3 MET A 566 -4.306 -4.381 1.915 1.00 0.00 H new ATOM 0 HE1 MET A 566 -2.322 -2.995 -1.336 1.00 0.00 H new ATOM 0 HE2 MET A 566 -3.312 -1.850 -0.401 1.00 0.00 H new ATOM 0 HE3 MET A 566 -2.297 -3.043 0.442 1.00 0.00 H new ATOM 557 N GLN A 567 -8.715 -3.077 -0.441 1.00 0.00 N ATOM 558 CA GLN A 567 -9.952 -3.299 -1.170 1.00 0.00 C ATOM 559 C GLN A 567 -9.721 -4.277 -2.323 1.00 0.00 C ATOM 560 O GLN A 567 -8.869 -4.043 -3.178 1.00 0.00 O ATOM 561 CB GLN A 567 -10.533 -1.978 -1.679 1.00 0.00 C ATOM 562 CG GLN A 567 -11.856 -1.655 -0.981 1.00 0.00 C ATOM 563 CD GLN A 567 -13.047 -2.000 -1.877 1.00 0.00 C ATOM 564 OE1 GLN A 567 -12.934 -2.722 -2.853 1.00 0.00 O ATOM 565 NE2 GLN A 567 -14.193 -1.444 -1.491 1.00 0.00 N ATOM 0 H GLN A 567 -7.935 -2.755 -1.014 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.679 -3.739 -0.487 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -9.820 -1.172 -1.505 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -10.691 -2.037 -2.756 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -11.925 -2.214 -0.048 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -11.886 -0.597 -0.722 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -14.218 -0.849 -0.663 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -15.047 -1.613 -2.023 1.00 0.00 H new ATOM 574 N ASP A 568 -10.495 -5.352 -2.309 1.00 0.00 N ATOM 575 CA ASP A 568 -10.386 -6.367 -3.343 1.00 0.00 C ATOM 576 C ASP A 568 -10.458 -5.698 -4.717 1.00 0.00 C ATOM 577 O ASP A 568 -11.339 -4.877 -4.966 1.00 0.00 O ATOM 578 CB ASP A 568 -11.531 -7.377 -3.248 1.00 0.00 C ATOM 579 CG ASP A 568 -12.248 -7.416 -1.896 1.00 0.00 C ATOM 580 OD1 ASP A 568 -11.647 -7.751 -0.864 1.00 0.00 O ATOM 581 OD2 ASP A 568 -13.493 -7.080 -1.929 1.00 0.00 O ATOM 0 H ASP A 568 -11.201 -5.542 -1.598 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.437 -6.886 -3.207 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -12.262 -7.149 -4.024 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -11.138 -8.371 -3.463 1.00 0.00 H new ATOM 587 N ALA A 569 -9.520 -6.075 -5.573 1.00 0.00 N ATOM 588 CA ALA A 569 -9.466 -5.523 -6.916 1.00 0.00 C ATOM 589 C ALA A 569 -10.688 -5.995 -7.707 1.00 0.00 C ATOM 590 O ALA A 569 -11.770 -6.157 -7.146 1.00 0.00 O ATOM 591 CB ALA A 569 -8.149 -5.926 -7.582 1.00 0.00 C ATOM 0 H ALA A 569 -8.791 -6.756 -5.363 1.00 0.00 H new ATOM 0 HA ALA A 569 -9.495 -4.434 -6.884 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -8.109 -5.512 -8.589 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -7.313 -5.541 -6.998 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -8.085 -7.013 -7.634 1.00 0.00 H new ATOM 597 N GLU A 570 -10.473 -6.203 -8.998 1.00 0.00 N ATOM 598 CA GLU A 570 -11.543 -6.654 -9.871 1.00 0.00 C ATOM 599 C GLU A 570 -11.181 -8.000 -10.502 1.00 0.00 C ATOM 600 O GLU A 570 -11.885 -8.484 -11.388 1.00 0.00 O ATOM 601 CB GLU A 570 -11.850 -5.610 -10.946 1.00 0.00 C ATOM 602 CG GLU A 570 -10.710 -5.516 -11.962 1.00 0.00 C ATOM 603 CD GLU A 570 -11.082 -6.221 -13.269 1.00 0.00 C ATOM 604 OE1 GLU A 570 -12.200 -6.041 -13.774 1.00 0.00 O ATOM 605 OE2 GLU A 570 -10.160 -6.977 -13.761 1.00 0.00 O ATOM 0 H GLU A 570 -9.574 -6.067 -9.460 1.00 0.00 H new ATOM 0 HA GLU A 570 -12.444 -6.786 -9.271 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -12.777 -5.871 -11.457 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -12.007 -4.638 -10.479 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -10.481 -4.469 -12.161 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -9.809 -5.966 -11.546 1.00 0.00 H new ATOM 613 N ILE A 571 -10.084 -8.567 -10.022 1.00 0.00 N ATOM 614 CA ILE A 571 -9.621 -9.848 -10.528 1.00 0.00 C ATOM 615 C ILE A 571 -10.331 -10.976 -9.777 1.00 0.00 C ATOM 616 O ILE A 571 -11.455 -11.342 -10.117 1.00 0.00 O ATOM 617 CB ILE A 571 -8.095 -9.930 -10.461 1.00 0.00 C ATOM 618 CG1 ILE A 571 -7.448 -8.846 -11.326 1.00 0.00 C ATOM 619 CG2 ILE A 571 -7.604 -11.330 -10.834 1.00 0.00 C ATOM 620 CD1 ILE A 571 -6.047 -8.501 -10.817 1.00 0.00 C ATOM 0 H ILE A 571 -9.502 -8.163 -9.288 1.00 0.00 H new ATOM 0 HA ILE A 571 -9.877 -9.956 -11.582 1.00 0.00 H new ATOM 0 HB ILE A 571 -7.789 -9.745 -9.431 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -7.389 -9.187 -12.359 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -8.071 -7.952 -11.321 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -6.516 -11.361 -10.778 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -8.024 -12.059 -10.141 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -7.922 -11.569 -11.849 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -5.610 -7.728 -11.450 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -6.112 -8.137 -9.792 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -5.420 -9.392 -10.847 1.00 0.00 H new ATOM 632 N SER A 572 -9.646 -11.495 -8.769 1.00 0.00 N ATOM 633 CA SER A 572 -10.197 -12.574 -7.966 1.00 0.00 C ATOM 634 C SER A 572 -9.190 -12.998 -6.896 1.00 0.00 C ATOM 635 O SER A 572 -8.323 -13.833 -7.150 1.00 0.00 O ATOM 636 CB SER A 572 -10.578 -13.771 -8.840 1.00 0.00 C ATOM 637 OG SER A 572 -11.680 -14.497 -8.301 1.00 0.00 O ATOM 0 H SER A 572 -8.714 -11.189 -8.490 1.00 0.00 H new ATOM 0 HA SER A 572 -11.102 -12.210 -7.480 1.00 0.00 H new ATOM 0 HB2 SER A 572 -10.829 -13.423 -9.842 1.00 0.00 H new ATOM 0 HB3 SER A 572 -9.720 -14.436 -8.939 1.00 0.00 H new ATOM 0 HG SER A 572 -11.893 -15.252 -8.889 1.00 0.00 H new ATOM 643 N GLY A 573 -9.337 -12.402 -5.721 1.00 0.00 N ATOM 644 CA GLY A 573 -8.450 -12.707 -4.611 1.00 0.00 C ATOM 645 C GLY A 573 -7.318 -11.682 -4.516 1.00 0.00 C ATOM 646 O GLY A 573 -6.371 -11.868 -3.753 1.00 0.00 O ATOM 0 H GLY A 573 -10.057 -11.710 -5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -9.017 -12.716 -3.680 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -8.032 -13.705 -4.739 1.00 0.00 H new ATOM 650 N TYR A 574 -7.454 -10.624 -5.301 1.00 0.00 N ATOM 651 CA TYR A 574 -6.454 -9.569 -5.314 1.00 0.00 C ATOM 652 C TYR A 574 -6.937 -8.346 -4.531 1.00 0.00 C ATOM 653 O TYR A 574 -8.136 -8.173 -4.320 1.00 0.00 O ATOM 654 CB TYR A 574 -6.272 -9.180 -6.783 1.00 0.00 C ATOM 655 CG TYR A 574 -5.215 -10.005 -7.519 1.00 0.00 C ATOM 656 CD1 TYR A 574 -3.892 -9.613 -7.493 1.00 0.00 C ATOM 657 CD2 TYR A 574 -5.584 -11.142 -8.208 1.00 0.00 C ATOM 658 CE1 TYR A 574 -2.897 -10.390 -8.186 1.00 0.00 C ATOM 659 CE2 TYR A 574 -4.589 -11.920 -8.901 1.00 0.00 C ATOM 660 CZ TYR A 574 -3.294 -11.505 -8.855 1.00 0.00 C ATOM 661 OH TYR A 574 -2.355 -12.239 -9.509 1.00 0.00 O ATOM 0 H TYR A 574 -8.241 -10.474 -5.933 1.00 0.00 H new ATOM 0 HA TYR A 574 -5.527 -9.912 -4.854 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -7.226 -9.289 -7.298 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -5.999 -8.126 -6.838 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -3.603 -8.724 -6.953 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -6.619 -11.449 -8.228 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -1.859 -10.094 -8.175 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -4.865 -12.812 -9.444 1.00 0.00 H new ATOM 0 HH TYR A 574 -2.783 -13.007 -9.941 1.00 0.00 H new ATOM 671 N ALA A 575 -5.977 -7.530 -4.122 1.00 0.00 N ATOM 672 CA ALA A 575 -6.288 -6.328 -3.367 1.00 0.00 C ATOM 673 C ALA A 575 -5.814 -5.102 -4.149 1.00 0.00 C ATOM 674 O ALA A 575 -4.860 -5.184 -4.921 1.00 0.00 O ATOM 675 CB ALA A 575 -5.650 -6.417 -1.979 1.00 0.00 C ATOM 0 H ALA A 575 -4.983 -7.677 -4.299 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.365 -6.232 -3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -5.883 -5.515 -1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -6.043 -7.287 -1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -4.569 -6.512 -2.081 1.00 0.00 H new ATOM 681 N LYS A 576 -6.503 -3.992 -3.923 1.00 0.00 N ATOM 682 CA LYS A 576 -6.164 -2.751 -4.597 1.00 0.00 C ATOM 683 C LYS A 576 -6.633 -1.569 -3.746 1.00 0.00 C ATOM 684 O LYS A 576 -7.735 -1.591 -3.200 1.00 0.00 O ATOM 685 CB LYS A 576 -6.724 -2.744 -6.021 1.00 0.00 C ATOM 686 CG LYS A 576 -8.132 -2.147 -6.053 1.00 0.00 C ATOM 687 CD LYS A 576 -8.649 -2.039 -7.489 1.00 0.00 C ATOM 688 CE LYS A 576 -8.864 -0.577 -7.886 1.00 0.00 C ATOM 689 NZ LYS A 576 -10.286 -0.200 -7.723 1.00 0.00 N ATOM 0 H LYS A 576 -7.294 -3.927 -3.282 1.00 0.00 H new ATOM 0 HA LYS A 576 -5.083 -2.659 -4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -6.066 -2.168 -6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -6.747 -3.761 -6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -8.808 -2.768 -5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -8.123 -1.160 -5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -7.937 -2.504 -8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -9.586 -2.587 -7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -8.237 0.069 -7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -8.558 -0.426 -8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -10.415 0.795 -7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -10.877 -0.805 -8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -10.567 -0.325 -6.729 1.00 0.00 H new ATOM 702 N ILE A 577 -5.773 -0.565 -3.659 1.00 0.00 N ATOM 703 CA ILE A 577 -6.086 0.624 -2.884 1.00 0.00 C ATOM 704 C ILE A 577 -5.455 1.846 -3.555 1.00 0.00 C ATOM 705 O ILE A 577 -4.441 1.727 -4.241 1.00 0.00 O ATOM 706 CB ILE A 577 -5.665 0.438 -1.425 1.00 0.00 C ATOM 707 CG1 ILE A 577 -4.333 1.137 -1.145 1.00 0.00 C ATOM 708 CG2 ILE A 577 -5.623 -1.045 -1.051 1.00 0.00 C ATOM 709 CD1 ILE A 577 -4.503 2.658 -1.141 1.00 0.00 C ATOM 0 H ILE A 577 -4.859 -0.550 -4.112 1.00 0.00 H new ATOM 0 HA ILE A 577 -7.163 0.792 -2.862 1.00 0.00 H new ATOM 0 HB ILE A 577 -6.416 0.909 -0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -3.941 0.809 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -3.602 0.851 -1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -5.321 -1.149 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -6.612 -1.483 -1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -4.906 -1.561 -1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -3.542 3.131 -0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -4.872 2.985 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -5.216 2.942 -0.367 1.00 0.00 H new ATOM 721 N THR A 578 -6.082 2.992 -3.334 1.00 0.00 N ATOM 722 CA THR A 578 -5.595 4.234 -3.909 1.00 0.00 C ATOM 723 C THR A 578 -5.288 5.248 -2.805 1.00 0.00 C ATOM 724 O THR A 578 -6.000 5.316 -1.804 1.00 0.00 O ATOM 725 CB THR A 578 -6.635 4.729 -4.916 1.00 0.00 C ATOM 726 OG1 THR A 578 -6.603 3.754 -5.955 1.00 0.00 O ATOM 727 CG2 THR A 578 -6.210 6.025 -5.608 1.00 0.00 C ATOM 0 H THR A 578 -6.923 3.086 -2.765 1.00 0.00 H new ATOM 0 HA THR A 578 -4.655 4.082 -4.439 1.00 0.00 H new ATOM 0 HB THR A 578 -7.587 4.885 -4.408 1.00 0.00 H new ATOM 0 HG1 THR A 578 -7.250 3.996 -6.651 1.00 0.00 H new ATOM 0 HG21 THR A 578 -6.983 6.332 -6.312 1.00 0.00 H new ATOM 0 HG22 THR A 578 -6.068 6.806 -4.861 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.275 5.861 -6.144 1.00 0.00 H new ATOM 735 N VAL A 579 -4.227 6.011 -3.025 1.00 0.00 N ATOM 736 CA VAL A 579 -3.817 7.018 -2.061 1.00 0.00 C ATOM 737 C VAL A 579 -3.584 8.346 -2.785 1.00 0.00 C ATOM 738 O VAL A 579 -2.786 8.416 -3.719 1.00 0.00 O ATOM 739 CB VAL A 579 -2.588 6.534 -1.289 1.00 0.00 C ATOM 740 CG1 VAL A 579 -1.944 7.682 -0.509 1.00 0.00 C ATOM 741 CG2 VAL A 579 -2.946 5.373 -0.360 1.00 0.00 C ATOM 0 H VAL A 579 -3.639 5.952 -3.856 1.00 0.00 H new ATOM 0 HA VAL A 579 -4.603 7.183 -1.324 1.00 0.00 H new ATOM 0 HB VAL A 579 -1.859 6.170 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -1.073 7.311 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -1.635 8.465 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -2.664 8.089 0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -2.055 5.048 0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -3.701 5.699 0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -3.337 4.543 -0.949 1.00 0.00 H new ATOM 751 N ASP A 580 -4.295 9.366 -2.327 1.00 0.00 N ATOM 752 CA ASP A 580 -4.175 10.687 -2.920 1.00 0.00 C ATOM 753 C ASP A 580 -2.961 11.401 -2.322 1.00 0.00 C ATOM 754 O ASP A 580 -2.602 11.164 -1.170 1.00 0.00 O ATOM 755 CB ASP A 580 -5.414 11.536 -2.628 1.00 0.00 C ATOM 756 CG ASP A 580 -5.292 13.012 -3.011 1.00 0.00 C ATOM 757 OD1 ASP A 580 -4.705 13.356 -4.048 1.00 0.00 O ATOM 758 OD2 ASP A 580 -5.838 13.837 -2.183 1.00 0.00 O ATOM 0 H ASP A 580 -4.956 9.304 -1.553 1.00 0.00 H new ATOM 0 HA ASP A 580 -4.067 10.565 -3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -6.263 11.107 -3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -5.638 11.470 -1.563 1.00 0.00 H new ATOM 764 N ILE A 581 -2.363 12.262 -3.133 1.00 0.00 N ATOM 765 CA ILE A 581 -1.197 13.012 -2.699 1.00 0.00 C ATOM 766 C ILE A 581 -1.096 14.305 -3.511 1.00 0.00 C ATOM 767 O ILE A 581 -0.080 14.559 -4.156 1.00 0.00 O ATOM 768 CB ILE A 581 0.058 12.141 -2.771 1.00 0.00 C ATOM 769 CG1 ILE A 581 0.345 11.711 -4.212 1.00 0.00 C ATOM 770 CG2 ILE A 581 -0.050 10.942 -1.827 1.00 0.00 C ATOM 771 CD1 ILE A 581 1.601 10.841 -4.285 1.00 0.00 C ATOM 0 H ILE A 581 -2.664 12.457 -4.088 1.00 0.00 H new ATOM 0 HA ILE A 581 -1.297 13.300 -1.652 1.00 0.00 H new ATOM 0 HB ILE A 581 0.907 12.738 -2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -0.508 11.159 -4.607 1.00 0.00 H new ATOM 0 HG13 ILE A 581 0.472 12.593 -4.840 1.00 0.00 H new ATOM 0 HG21 ILE A 581 0.856 10.340 -1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 581 -0.171 11.295 -0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 581 -0.912 10.336 -2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 581 1.782 10.549 -5.320 1.00 0.00 H new ATOM 0 HD12 ILE A 581 2.456 11.405 -3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 581 1.461 9.948 -3.676 1.00 0.00 H new ATOM 783 N GLY A 582 -2.164 15.088 -3.452 1.00 0.00 N ATOM 784 CA GLY A 582 -2.208 16.348 -4.174 1.00 0.00 C ATOM 785 C GLY A 582 -1.020 17.236 -3.800 1.00 0.00 C ATOM 786 O GLY A 582 -0.706 18.191 -4.510 1.00 0.00 O ATOM 0 H GLY A 582 -3.005 14.874 -2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -2.200 16.157 -5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -3.140 16.867 -3.950 1.00 0.00 H new ATOM 790 N SER A 583 -0.391 16.891 -2.687 1.00 0.00 N ATOM 791 CA SER A 583 0.756 17.645 -2.210 1.00 0.00 C ATOM 792 C SER A 583 1.849 16.688 -1.729 1.00 0.00 C ATOM 793 O SER A 583 2.379 16.847 -0.631 1.00 0.00 O ATOM 794 CB SER A 583 0.357 18.602 -1.085 1.00 0.00 C ATOM 795 OG SER A 583 0.066 19.909 -1.575 1.00 0.00 O ATOM 0 H SER A 583 -0.654 16.099 -2.101 1.00 0.00 H new ATOM 0 HA SER A 583 1.141 18.240 -3.038 1.00 0.00 H new ATOM 0 HB2 SER A 583 -0.516 18.207 -0.565 1.00 0.00 H new ATOM 0 HB3 SER A 583 1.164 18.660 -0.355 1.00 0.00 H new ATOM 0 HG SER A 583 -0.186 20.490 -0.827 1.00 0.00 H new ATOM 801 N ALA A 584 2.153 15.715 -2.575 1.00 0.00 N ATOM 802 CA ALA A 584 3.173 14.732 -2.251 1.00 0.00 C ATOM 803 C ALA A 584 3.588 13.994 -3.525 1.00 0.00 C ATOM 804 O ALA A 584 2.752 13.704 -4.379 1.00 0.00 O ATOM 805 CB ALA A 584 2.643 13.783 -1.174 1.00 0.00 C ATOM 0 H ALA A 584 1.711 15.586 -3.485 1.00 0.00 H new ATOM 0 HA ALA A 584 4.061 15.219 -1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 584 3.408 13.045 -0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 584 2.390 14.352 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 584 1.753 13.274 -1.544 1.00 0.00 H new ATOM 811 N SER A 585 4.879 13.712 -3.613 1.00 0.00 N ATOM 812 CA SER A 585 5.416 13.013 -4.768 1.00 0.00 C ATOM 813 C SER A 585 5.927 11.632 -4.354 1.00 0.00 C ATOM 814 O SER A 585 6.365 10.850 -5.197 1.00 0.00 O ATOM 815 CB SER A 585 6.537 13.819 -5.427 1.00 0.00 C ATOM 816 OG SER A 585 6.094 14.488 -6.605 1.00 0.00 O ATOM 0 H SER A 585 5.570 13.955 -2.903 1.00 0.00 H new ATOM 0 HA SER A 585 4.615 12.892 -5.497 1.00 0.00 H new ATOM 0 HB2 SER A 585 6.922 14.551 -4.717 1.00 0.00 H new ATOM 0 HB3 SER A 585 7.363 13.153 -5.677 1.00 0.00 H new ATOM 0 HG SER A 585 6.839 14.992 -6.994 1.00 0.00 H new ATOM 822 N GLN A 586 5.856 11.374 -3.057 1.00 0.00 N ATOM 823 CA GLN A 586 6.306 10.101 -2.520 1.00 0.00 C ATOM 824 C GLN A 586 5.461 9.707 -1.307 1.00 0.00 C ATOM 825 O GLN A 586 5.147 10.547 -0.466 1.00 0.00 O ATOM 826 CB GLN A 586 7.792 10.153 -2.160 1.00 0.00 C ATOM 827 CG GLN A 586 8.659 9.712 -3.341 1.00 0.00 C ATOM 828 CD GLN A 586 10.062 10.315 -3.246 1.00 0.00 C ATOM 829 OE1 GLN A 586 10.243 11.514 -3.115 1.00 0.00 O ATOM 830 NE2 GLN A 586 11.041 9.418 -3.320 1.00 0.00 N ATOM 0 H GLN A 586 5.493 12.026 -2.361 1.00 0.00 H new ATOM 0 HA GLN A 586 6.178 9.339 -3.289 1.00 0.00 H new ATOM 0 HB2 GLN A 586 8.063 11.167 -1.864 1.00 0.00 H new ATOM 0 HB3 GLN A 586 7.985 9.508 -1.302 1.00 0.00 H new ATOM 0 HG2 GLN A 586 8.727 8.624 -3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 586 8.190 10.019 -4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 586 10.819 8.429 -3.430 1.00 0.00 H new ATOM 0 HE22 GLN A 586 12.014 9.719 -3.267 1.00 0.00 H new ATOM 839 N LEU A 587 5.116 8.429 -1.256 1.00 0.00 N ATOM 840 CA LEU A 587 4.314 7.913 -0.160 1.00 0.00 C ATOM 841 C LEU A 587 4.728 6.470 0.135 1.00 0.00 C ATOM 842 O LEU A 587 4.741 5.629 -0.762 1.00 0.00 O ATOM 843 CB LEU A 587 2.823 8.075 -0.465 1.00 0.00 C ATOM 844 CG LEU A 587 1.884 8.042 0.742 1.00 0.00 C ATOM 845 CD1 LEU A 587 0.755 9.063 0.586 1.00 0.00 C ATOM 846 CD2 LEU A 587 1.349 6.629 0.983 1.00 0.00 C ATOM 0 H LEU A 587 5.377 7.735 -1.956 1.00 0.00 H new ATOM 0 HA LEU A 587 4.495 8.488 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 587 2.680 9.022 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 587 2.525 7.284 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 587 2.455 8.325 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 587 0.102 9.019 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 587 1.179 10.064 0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 587 0.179 8.835 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 587 0.684 6.634 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 587 0.799 6.293 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 587 2.182 5.952 1.170 1.00 0.00 H new ATOM 858 N GLU A 588 5.056 6.228 1.395 1.00 0.00 N ATOM 859 CA GLU A 588 5.469 4.902 1.820 1.00 0.00 C ATOM 860 C GLU A 588 4.257 4.091 2.283 1.00 0.00 C ATOM 861 O GLU A 588 3.336 4.636 2.888 1.00 0.00 O ATOM 862 CB GLU A 588 6.528 4.983 2.921 1.00 0.00 C ATOM 863 CG GLU A 588 6.099 5.955 4.023 1.00 0.00 C ATOM 864 CD GLU A 588 6.825 7.295 3.884 1.00 0.00 C ATOM 865 OE1 GLU A 588 6.307 8.216 3.235 1.00 0.00 O ATOM 866 OE2 GLU A 588 7.966 7.361 4.481 1.00 0.00 O ATOM 0 H GLU A 588 5.044 6.929 2.136 1.00 0.00 H new ATOM 0 HA GLU A 588 5.918 4.393 0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 588 6.691 3.993 3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 588 7.477 5.307 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 588 5.022 6.114 3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 588 6.313 5.521 5.000 1.00 0.00 H new ATOM 874 N ALA A 589 4.298 2.801 1.981 1.00 0.00 N ATOM 875 CA ALA A 589 3.215 1.910 2.359 1.00 0.00 C ATOM 876 C ALA A 589 3.787 0.712 3.119 1.00 0.00 C ATOM 877 O ALA A 589 4.789 0.131 2.705 1.00 0.00 O ATOM 878 CB ALA A 589 2.439 1.490 1.109 1.00 0.00 C ATOM 0 H ALA A 589 5.064 2.352 1.479 1.00 0.00 H new ATOM 0 HA ALA A 589 2.515 2.418 3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 589 1.626 0.821 1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 589 2.028 2.374 0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 589 3.109 0.975 0.421 1.00 0.00 H new ATOM 884 N ALA A 590 3.126 0.377 4.217 1.00 0.00 N ATOM 885 CA ALA A 590 3.557 -0.741 5.039 1.00 0.00 C ATOM 886 C ALA A 590 2.424 -1.765 5.132 1.00 0.00 C ATOM 887 O ALA A 590 1.266 -1.441 4.875 1.00 0.00 O ATOM 888 CB ALA A 590 3.993 -0.227 6.413 1.00 0.00 C ATOM 0 H ALA A 590 2.295 0.860 4.557 1.00 0.00 H new ATOM 0 HA ALA A 590 4.416 -1.239 4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 590 4.316 -1.066 7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 590 4.818 0.475 6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 590 3.155 0.276 6.896 1.00 0.00 H new ATOM 894 N PHE A 591 2.798 -2.982 5.502 1.00 0.00 N ATOM 895 CA PHE A 591 1.828 -4.056 5.632 1.00 0.00 C ATOM 896 C PHE A 591 1.734 -4.536 7.082 1.00 0.00 C ATOM 897 O PHE A 591 2.750 -4.834 7.708 1.00 0.00 O ATOM 898 CB PHE A 591 2.318 -5.210 4.755 1.00 0.00 C ATOM 899 CG PHE A 591 1.814 -5.152 3.312 1.00 0.00 C ATOM 900 CD1 PHE A 591 2.183 -4.122 2.503 1.00 0.00 C ATOM 901 CD2 PHE A 591 0.997 -6.130 2.837 1.00 0.00 C ATOM 902 CE1 PHE A 591 1.715 -4.069 1.164 1.00 0.00 C ATOM 903 CE2 PHE A 591 0.529 -6.076 1.498 1.00 0.00 C ATOM 904 CZ PHE A 591 0.898 -5.047 0.689 1.00 0.00 C ATOM 0 H PHE A 591 3.759 -3.247 5.716 1.00 0.00 H new ATOM 0 HA PHE A 591 0.841 -3.706 5.329 1.00 0.00 H new ATOM 0 HB2 PHE A 591 3.408 -5.210 4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 591 2.001 -6.152 5.202 1.00 0.00 H new ATOM 0 HD1 PHE A 591 2.832 -3.345 2.880 1.00 0.00 H new ATOM 0 HD2 PHE A 591 0.704 -6.948 3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 591 2.008 -3.251 0.522 1.00 0.00 H new ATOM 0 HE2 PHE A 591 -0.120 -6.852 1.121 1.00 0.00 H new ATOM 0 HZ PHE A 591 0.542 -5.007 -0.330 1.00 0.00 H new ATOM 914 N ASN A 592 0.505 -4.597 7.573 1.00 0.00 N ATOM 915 CA ASN A 592 0.265 -5.037 8.937 1.00 0.00 C ATOM 916 C ASN A 592 -0.978 -5.927 8.970 1.00 0.00 C ATOM 917 O ASN A 592 -1.986 -5.616 8.337 1.00 0.00 O ATOM 918 CB ASN A 592 0.019 -3.845 9.864 1.00 0.00 C ATOM 919 CG ASN A 592 -0.838 -2.781 9.174 1.00 0.00 C ATOM 920 OD1 ASN A 592 -0.512 -2.279 8.111 1.00 0.00 O ATOM 921 ND2 ASN A 592 -1.948 -2.467 9.836 1.00 0.00 N ATOM 0 H ASN A 592 -0.335 -4.349 7.051 1.00 0.00 H new ATOM 0 HA ASN A 592 1.146 -5.582 9.276 1.00 0.00 H new ATOM 0 HB2 ASN A 592 -0.478 -4.183 10.773 1.00 0.00 H new ATOM 0 HB3 ASN A 592 0.972 -3.410 10.164 1.00 0.00 H new ATOM 0 HD21 ASN A 592 -2.587 -1.767 9.458 1.00 0.00 H new ATOM 0 HD22 ASN A 592 -2.161 -2.926 10.722 1.00 0.00 H new ATOM 928 N ASP A 593 -0.867 -7.017 9.715 1.00 0.00 N ATOM 929 CA ASP A 593 -1.970 -7.955 9.838 1.00 0.00 C ATOM 930 C ASP A 593 -3.120 -7.286 10.594 1.00 0.00 C ATOM 931 O ASP A 593 -4.287 -7.585 10.348 1.00 0.00 O ATOM 932 CB ASP A 593 -1.550 -9.200 10.622 1.00 0.00 C ATOM 933 CG ASP A 593 -1.412 -8.997 12.133 1.00 0.00 C ATOM 934 OD1 ASP A 593 -2.398 -9.077 12.880 1.00 0.00 O ATOM 935 OD2 ASP A 593 -0.215 -8.743 12.542 1.00 0.00 O ATOM 0 H ASP A 593 -0.030 -7.272 10.240 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.277 -8.248 8.834 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -2.281 -9.988 10.442 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -0.597 -9.554 10.230 1.00 0.00 H new ATOM 941 N GLY A 594 -2.750 -6.393 11.500 1.00 0.00 N ATOM 942 CA GLY A 594 -3.735 -5.679 12.294 1.00 0.00 C ATOM 943 C GLY A 594 -3.063 -4.665 13.222 1.00 0.00 C ATOM 944 O GLY A 594 -3.554 -3.550 13.390 1.00 0.00 O ATOM 0 H GLY A 594 -1.781 -6.148 11.702 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -4.435 -5.166 11.635 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -4.315 -6.389 12.884 1.00 0.00 H new ATOM 948 N ASN A 595 -1.948 -5.089 13.800 1.00 0.00 N ATOM 949 CA ASN A 595 -1.203 -4.233 14.707 1.00 0.00 C ATOM 950 C ASN A 595 -0.322 -5.098 15.610 1.00 0.00 C ATOM 951 O ASN A 595 -0.678 -5.368 16.756 1.00 0.00 O ATOM 952 CB ASN A 595 -2.146 -3.424 15.600 1.00 0.00 C ATOM 953 CG ASN A 595 -2.188 -1.957 15.168 1.00 0.00 C ATOM 954 OD1 ASN A 595 -3.407 -1.513 14.878 1.00 0.00 O flip ATOM 955 ND2 ASN A 595 -1.179 -1.274 15.102 1.00 0.00 N flip ATOM 0 H ASN A 595 -1.543 -6.014 13.657 1.00 0.00 H new ATOM 0 HA ASN A 595 -0.600 -3.551 14.108 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -3.149 -3.849 15.555 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -1.818 -3.492 16.637 1.00 0.00 H new ATOM 0 HD21 ASN A 595 -0.273 -1.678 15.339 1.00 0.00 H new ATOM 0 HD22 ASN A 595 -1.242 -0.299 14.810 1.00 0.00 H new ATOM 962 N ASN A 596 0.812 -5.507 15.060 1.00 0.00 N ATOM 963 CA ASN A 596 1.747 -6.336 15.801 1.00 0.00 C ATOM 964 C ASN A 596 2.783 -6.917 14.836 1.00 0.00 C ATOM 965 O ASN A 596 3.965 -6.999 15.165 1.00 0.00 O ATOM 966 CB ASN A 596 1.029 -7.502 16.482 1.00 0.00 C ATOM 967 CG ASN A 596 1.251 -7.474 17.996 1.00 0.00 C ATOM 968 OD1 ASN A 596 2.122 -8.380 18.432 1.00 0.00 O flip ATOM 969 ND2 ASN A 596 0.671 -6.682 18.720 1.00 0.00 N flip ATOM 0 H ASN A 596 1.104 -5.280 14.110 1.00 0.00 H new ATOM 0 HA ASN A 596 2.222 -5.713 16.559 1.00 0.00 H new ATOM 0 HB2 ASN A 596 -0.038 -7.452 16.266 1.00 0.00 H new ATOM 0 HB3 ASN A 596 1.393 -8.445 16.075 1.00 0.00 H new ATOM 0 HD21 ASN A 596 0.014 -6.012 18.320 1.00 0.00 H new ATOM 0 HD22 ASN A 596 0.843 -6.690 19.725 1.00 0.00 H new ATOM 976 N ASN A 597 2.301 -7.305 13.665 1.00 0.00 N ATOM 977 CA ASN A 597 3.171 -7.876 12.650 1.00 0.00 C ATOM 978 C ASN A 597 3.230 -6.933 11.447 1.00 0.00 C ATOM 979 O ASN A 597 2.272 -6.836 10.681 1.00 0.00 O ATOM 980 CB ASN A 597 2.639 -9.226 12.166 1.00 0.00 C ATOM 981 CG ASN A 597 3.788 -10.168 11.800 1.00 0.00 C ATOM 982 OD1 ASN A 597 4.957 -9.835 11.910 1.00 0.00 O ATOM 983 ND2 ASN A 597 3.392 -11.359 11.361 1.00 0.00 N ATOM 0 H ASN A 597 1.320 -7.236 13.396 1.00 0.00 H new ATOM 0 HA ASN A 597 4.159 -8.014 13.090 1.00 0.00 H new ATOM 0 HB2 ASN A 597 2.026 -9.680 12.945 1.00 0.00 H new ATOM 0 HB3 ASN A 597 1.995 -9.078 11.299 1.00 0.00 H new ATOM 0 HD21 ASN A 597 4.083 -12.059 11.092 1.00 0.00 H new ATOM 0 HD22 ASN A 597 2.397 -11.573 11.293 1.00 0.00 H new ATOM 990 N TRP A 598 4.365 -6.262 11.317 1.00 0.00 N ATOM 991 CA TRP A 598 4.563 -5.330 10.220 1.00 0.00 C ATOM 992 C TRP A 598 5.621 -5.918 9.284 1.00 0.00 C ATOM 993 O TRP A 598 6.732 -6.227 9.713 1.00 0.00 O ATOM 994 CB TRP A 598 4.932 -3.940 10.741 1.00 0.00 C ATOM 995 CG TRP A 598 3.838 -3.279 11.581 1.00 0.00 C ATOM 996 CD1 TRP A 598 3.245 -3.755 12.685 1.00 0.00 C ATOM 997 CD2 TRP A 598 3.227 -1.994 11.340 1.00 0.00 C ATOM 998 NE1 TRP A 598 2.299 -2.874 13.170 1.00 0.00 N ATOM 999 CE2 TRP A 598 2.288 -1.770 12.327 1.00 0.00 C ATOM 1000 CE3 TRP A 598 3.459 -1.053 10.322 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 1.507 -0.609 12.392 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 2.670 0.102 10.402 1.00 0.00 C ATOM 1003 CH2 TRP A 598 1.721 0.343 11.388 1.00 0.00 C ATOM 0 H TRP A 598 5.157 -6.345 11.954 1.00 0.00 H new ATOM 0 HA TRP A 598 3.639 -5.194 9.658 1.00 0.00 H new ATOM 0 HB2 TRP A 598 5.839 -4.017 11.340 1.00 0.00 H new ATOM 0 HB3 TRP A 598 5.164 -3.295 9.893 1.00 0.00 H new ATOM 0 HD1 TRP A 598 3.478 -4.707 13.138 1.00 0.00 H new ATOM 0 HE1 TRP A 598 1.715 -3.009 13.996 1.00 0.00 H new ATOM 0 HE3 TRP A 598 4.188 -1.208 9.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 0.779 -0.456 13.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 2.809 0.858 9.644 1.00 0.00 H new ATOM 0 HH2 TRP A 598 1.151 1.260 11.380 1.00 0.00 H new ATOM 1014 N ASP A 599 5.239 -6.057 8.023 1.00 0.00 N ATOM 1015 CA ASP A 599 6.141 -6.603 7.023 1.00 0.00 C ATOM 1016 C ASP A 599 6.693 -5.463 6.165 1.00 0.00 C ATOM 1017 O ASP A 599 6.574 -5.490 4.940 1.00 0.00 O ATOM 1018 CB ASP A 599 5.412 -7.581 6.100 1.00 0.00 C ATOM 1019 CG ASP A 599 4.630 -8.685 6.814 1.00 0.00 C ATOM 1020 OD1 ASP A 599 3.818 -8.414 7.711 1.00 0.00 O ATOM 1021 OD2 ASP A 599 4.885 -9.883 6.410 1.00 0.00 O ATOM 0 H ASP A 599 4.317 -5.801 7.671 1.00 0.00 H new ATOM 0 HA ASP A 599 6.943 -7.128 7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.723 -7.018 5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 599 6.143 -8.045 5.437 1.00 0.00 H new ATOM 1101 N ASN A 605 10.585 1.142 5.498 1.00 0.00 N ATOM 1102 CA ASN A 605 9.533 0.895 4.526 1.00 0.00 C ATOM 1103 C ASN A 605 10.044 1.247 3.128 1.00 0.00 C ATOM 1104 O ASN A 605 11.250 1.254 2.887 1.00 0.00 O ATOM 1105 CB ASN A 605 8.304 1.760 4.813 1.00 0.00 C ATOM 1106 CG ASN A 605 8.188 2.070 6.306 1.00 0.00 C ATOM 1107 OD1 ASN A 605 7.011 1.746 6.835 1.00 0.00 O flip ATOM 1108 ND2 ASN A 605 9.105 2.568 6.937 1.00 0.00 N flip ATOM 0 HA ASN A 605 9.255 -0.157 4.589 1.00 0.00 H new ATOM 0 HB2 ASN A 605 8.370 2.690 4.249 1.00 0.00 H new ATOM 0 HB3 ASN A 605 7.405 1.245 4.474 1.00 0.00 H new ATOM 0 HD21 ASN A 605 9.983 2.793 6.469 1.00 0.00 H new ATOM 0 HD22 ASN A 605 8.994 2.760 7.933 1.00 0.00 H new ATOM 1115 N TYR A 606 9.100 1.529 2.242 1.00 0.00 N ATOM 1116 CA TYR A 606 9.439 1.881 0.873 1.00 0.00 C ATOM 1117 C TYR A 606 8.757 3.186 0.458 1.00 0.00 C ATOM 1118 O TYR A 606 7.820 3.638 1.115 1.00 0.00 O ATOM 1119 CB TYR A 606 8.908 0.741 0.001 1.00 0.00 C ATOM 1120 CG TYR A 606 9.686 -0.568 0.147 1.00 0.00 C ATOM 1121 CD1 TYR A 606 9.356 -1.459 1.148 1.00 0.00 C ATOM 1122 CD2 TYR A 606 10.717 -0.858 -0.723 1.00 0.00 C ATOM 1123 CE1 TYR A 606 10.089 -2.691 1.285 1.00 0.00 C ATOM 1124 CE2 TYR A 606 11.449 -2.091 -0.587 1.00 0.00 C ATOM 1125 CZ TYR A 606 11.099 -2.946 0.411 1.00 0.00 C ATOM 1126 OH TYR A 606 11.791 -4.110 0.540 1.00 0.00 O ATOM 0 H TYR A 606 8.100 1.521 2.445 1.00 0.00 H new ATOM 0 HA TYR A 606 10.515 2.022 0.767 1.00 0.00 H new ATOM 0 HB2 TYR A 606 7.863 0.561 0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 606 8.935 1.053 -1.043 1.00 0.00 H new ATOM 0 HD1 TYR A 606 8.548 -1.232 1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 606 10.975 -0.160 -1.506 1.00 0.00 H new ATOM 0 HE1 TYR A 606 9.842 -3.397 2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 606 12.257 -2.331 -1.262 1.00 0.00 H new ATOM 0 HH TYR A 606 12.482 -4.158 -0.153 1.00 0.00 H new ATOM 1136 N LEU A 607 9.252 3.754 -0.632 1.00 0.00 N ATOM 1137 CA LEU A 607 8.703 4.998 -1.143 1.00 0.00 C ATOM 1138 C LEU A 607 8.134 4.762 -2.544 1.00 0.00 C ATOM 1139 O LEU A 607 8.819 4.225 -3.413 1.00 0.00 O ATOM 1140 CB LEU A 607 9.750 6.112 -1.084 1.00 0.00 C ATOM 1141 CG LEU A 607 9.818 6.900 0.225 1.00 0.00 C ATOM 1142 CD1 LEU A 607 10.945 7.934 0.185 1.00 0.00 C ATOM 1143 CD2 LEU A 607 8.467 7.538 0.552 1.00 0.00 C ATOM 0 H LEU A 607 10.028 3.375 -1.175 1.00 0.00 H new ATOM 0 HA LEU A 607 7.878 5.335 -0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 607 10.730 5.673 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 607 9.553 6.812 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 607 10.049 6.203 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 607 10.971 8.480 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 607 11.898 7.428 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 607 10.770 8.632 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 607 8.543 8.092 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 607 8.182 8.218 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 607 7.711 6.759 0.652 1.00 0.00 H new ATOM 1155 N PHE A 608 6.888 5.175 -2.719 1.00 0.00 N ATOM 1156 CA PHE A 608 6.220 5.016 -4.000 1.00 0.00 C ATOM 1157 C PHE A 608 5.519 6.310 -4.418 1.00 0.00 C ATOM 1158 O PHE A 608 5.014 7.048 -3.573 1.00 0.00 O ATOM 1159 CB PHE A 608 5.170 3.916 -3.823 1.00 0.00 C ATOM 1160 CG PHE A 608 5.684 2.680 -3.082 1.00 0.00 C ATOM 1161 CD1 PHE A 608 6.489 1.789 -3.721 1.00 0.00 C ATOM 1162 CD2 PHE A 608 5.335 2.471 -1.784 1.00 0.00 C ATOM 1163 CE1 PHE A 608 6.965 0.642 -3.033 1.00 0.00 C ATOM 1164 CE2 PHE A 608 5.811 1.324 -1.096 1.00 0.00 C ATOM 1165 CZ PHE A 608 6.616 0.433 -1.735 1.00 0.00 C ATOM 0 H PHE A 608 6.323 5.620 -1.995 1.00 0.00 H new ATOM 0 HA PHE A 608 6.949 4.764 -4.770 1.00 0.00 H new ATOM 0 HB2 PHE A 608 4.318 4.325 -3.280 1.00 0.00 H new ATOM 0 HB3 PHE A 608 4.806 3.613 -4.805 1.00 0.00 H new ATOM 0 HD1 PHE A 608 6.766 1.954 -4.752 1.00 0.00 H new ATOM 0 HD2 PHE A 608 4.695 3.178 -1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 608 7.605 -0.065 -3.540 1.00 0.00 H new ATOM 0 HE2 PHE A 608 5.534 1.159 -0.065 1.00 0.00 H new ATOM 0 HZ PHE A 608 6.978 -0.440 -1.212 1.00 0.00 H new ATOM 1175 N SER A 609 5.511 6.546 -5.722 1.00 0.00 N ATOM 1176 CA SER A 609 4.880 7.738 -6.262 1.00 0.00 C ATOM 1177 C SER A 609 3.634 7.354 -7.063 1.00 0.00 C ATOM 1178 O SER A 609 3.445 6.187 -7.402 1.00 0.00 O ATOM 1179 CB SER A 609 5.854 8.525 -7.142 1.00 0.00 C ATOM 1180 OG SER A 609 5.326 9.793 -7.520 1.00 0.00 O ATOM 0 H SER A 609 5.931 5.932 -6.420 1.00 0.00 H new ATOM 0 HA SER A 609 4.586 8.377 -5.429 1.00 0.00 H new ATOM 0 HB2 SER A 609 6.792 8.668 -6.606 1.00 0.00 H new ATOM 0 HB3 SER A 609 6.083 7.946 -8.037 1.00 0.00 H new ATOM 0 HG SER A 609 5.544 10.456 -6.832 1.00 0.00 H new ATOM 1186 N THR A 610 2.816 8.359 -7.341 1.00 0.00 N ATOM 1187 CA THR A 610 1.593 8.141 -8.095 1.00 0.00 C ATOM 1188 C THR A 610 1.843 7.164 -9.246 1.00 0.00 C ATOM 1189 O THR A 610 2.989 6.920 -9.620 1.00 0.00 O ATOM 1190 CB THR A 610 1.073 9.504 -8.556 1.00 0.00 C ATOM 1191 OG1 THR A 610 2.148 10.045 -9.320 1.00 0.00 O ATOM 1192 CG2 THR A 610 0.906 10.489 -7.398 1.00 0.00 C ATOM 0 H THR A 610 2.976 9.326 -7.058 1.00 0.00 H new ATOM 0 HA THR A 610 0.825 7.676 -7.477 1.00 0.00 H new ATOM 0 HB THR A 610 0.117 9.375 -9.063 1.00 0.00 H new ATOM 0 HG1 THR A 610 1.896 10.929 -9.660 1.00 0.00 H new ATOM 0 HG21 THR A 610 0.535 11.440 -7.780 1.00 0.00 H new ATOM 0 HG22 THR A 610 0.195 10.085 -6.677 1.00 0.00 H new ATOM 0 HG23 THR A 610 1.869 10.645 -6.911 1.00 0.00 H new ATOM 1200 N GLY A 611 0.752 6.632 -9.776 1.00 0.00 N ATOM 1201 CA GLY A 611 0.838 5.688 -10.877 1.00 0.00 C ATOM 1202 C GLY A 611 0.270 4.325 -10.476 1.00 0.00 C ATOM 1203 O GLY A 611 -0.780 4.249 -9.839 1.00 0.00 O ATOM 0 H GLY A 611 -0.197 6.837 -9.463 1.00 0.00 H new ATOM 0 HA2 GLY A 611 0.291 6.075 -11.736 1.00 0.00 H new ATOM 0 HA3 GLY A 611 1.878 5.576 -11.185 1.00 0.00 H new ATOM 1207 N THR A 612 0.988 3.282 -10.866 1.00 0.00 N ATOM 1208 CA THR A 612 0.568 1.926 -10.555 1.00 0.00 C ATOM 1209 C THR A 612 1.720 1.144 -9.921 1.00 0.00 C ATOM 1210 O THR A 612 2.855 1.214 -10.390 1.00 0.00 O ATOM 1211 CB THR A 612 0.036 1.290 -11.841 1.00 0.00 C ATOM 1212 OG1 THR A 612 -0.680 2.343 -12.479 1.00 0.00 O ATOM 1213 CG2 THR A 612 -1.029 0.226 -11.570 1.00 0.00 C ATOM 0 H THR A 612 1.858 3.349 -11.395 1.00 0.00 H new ATOM 0 HA THR A 612 -0.233 1.919 -9.816 1.00 0.00 H new ATOM 0 HB THR A 612 0.863 0.844 -12.394 1.00 0.00 H new ATOM 0 HG1 THR A 612 -1.058 2.018 -13.323 1.00 0.00 H new ATOM 0 HG21 THR A 612 -1.373 -0.194 -12.515 1.00 0.00 H new ATOM 0 HG22 THR A 612 -0.603 -0.567 -10.955 1.00 0.00 H new ATOM 0 HG23 THR A 612 -1.871 0.679 -11.046 1.00 0.00 H new ATOM 1221 N SER A 613 1.387 0.415 -8.865 1.00 0.00 N ATOM 1222 CA SER A 613 2.379 -0.380 -8.162 1.00 0.00 C ATOM 1223 C SER A 613 1.762 -1.704 -7.707 1.00 0.00 C ATOM 1224 O SER A 613 0.544 -1.812 -7.577 1.00 0.00 O ATOM 1225 CB SER A 613 2.946 0.382 -6.962 1.00 0.00 C ATOM 1226 OG SER A 613 1.947 0.656 -5.984 1.00 0.00 O ATOM 0 H SER A 613 0.444 0.359 -8.480 1.00 0.00 H new ATOM 0 HA SER A 613 3.201 -0.586 -8.848 1.00 0.00 H new ATOM 0 HB2 SER A 613 3.748 -0.201 -6.508 1.00 0.00 H new ATOM 0 HB3 SER A 613 3.387 1.319 -7.303 1.00 0.00 H new ATOM 0 HG SER A 613 1.165 1.056 -6.418 1.00 0.00 H new ATOM 1232 N THR A 614 2.631 -2.677 -7.479 1.00 0.00 N ATOM 1233 CA THR A 614 2.187 -3.990 -7.042 1.00 0.00 C ATOM 1234 C THR A 614 3.051 -4.486 -5.881 1.00 0.00 C ATOM 1235 O THR A 614 4.246 -4.723 -6.048 1.00 0.00 O ATOM 1236 CB THR A 614 2.204 -4.923 -8.254 1.00 0.00 C ATOM 1237 OG1 THR A 614 1.668 -4.131 -9.310 1.00 0.00 O ATOM 1238 CG2 THR A 614 1.213 -6.081 -8.116 1.00 0.00 C ATOM 0 H THR A 614 3.641 -2.583 -7.589 1.00 0.00 H new ATOM 0 HA THR A 614 1.168 -3.955 -6.656 1.00 0.00 H new ATOM 0 HB THR A 614 3.210 -5.321 -8.391 1.00 0.00 H new ATOM 0 HG1 THR A 614 1.644 -4.659 -10.135 1.00 0.00 H new ATOM 0 HG21 THR A 614 1.266 -6.712 -9.003 1.00 0.00 H new ATOM 0 HG22 THR A 614 1.464 -6.671 -7.235 1.00 0.00 H new ATOM 0 HG23 THR A 614 0.203 -5.685 -8.012 1.00 0.00 H new ATOM 1246 N TYR A 615 2.412 -4.628 -4.729 1.00 0.00 N ATOM 1247 CA TYR A 615 3.107 -5.092 -3.540 1.00 0.00 C ATOM 1248 C TYR A 615 2.901 -6.594 -3.335 1.00 0.00 C ATOM 1249 O TYR A 615 1.776 -7.048 -3.134 1.00 0.00 O ATOM 1250 CB TYR A 615 2.482 -4.338 -2.364 1.00 0.00 C ATOM 1251 CG TYR A 615 3.495 -3.597 -1.490 1.00 0.00 C ATOM 1252 CD1 TYR A 615 4.562 -4.280 -0.940 1.00 0.00 C ATOM 1253 CD2 TYR A 615 3.343 -2.247 -1.251 1.00 0.00 C ATOM 1254 CE1 TYR A 615 5.515 -3.582 -0.117 1.00 0.00 C ATOM 1255 CE2 TYR A 615 4.297 -1.549 -0.428 1.00 0.00 C ATOM 1256 CZ TYR A 615 5.336 -2.252 0.098 1.00 0.00 C ATOM 1257 OH TYR A 615 6.237 -1.593 0.875 1.00 0.00 O ATOM 0 H TYR A 615 1.421 -4.430 -4.594 1.00 0.00 H new ATOM 0 HA TYR A 615 4.179 -4.914 -3.628 1.00 0.00 H new ATOM 0 HB2 TYR A 615 1.757 -3.621 -2.750 1.00 0.00 H new ATOM 0 HB3 TYR A 615 1.931 -5.045 -1.744 1.00 0.00 H new ATOM 0 HD1 TYR A 615 4.681 -5.337 -1.127 1.00 0.00 H new ATOM 0 HD2 TYR A 615 2.508 -1.713 -1.681 1.00 0.00 H new ATOM 0 HE1 TYR A 615 6.354 -4.104 0.320 1.00 0.00 H new ATOM 0 HE2 TYR A 615 4.190 -0.492 -0.233 1.00 0.00 H new ATOM 0 HH TYR A 615 5.762 -1.017 1.510 1.00 0.00 H new ATOM 1267 N THR A 616 4.006 -7.324 -3.392 1.00 0.00 N ATOM 1268 CA THR A 616 3.960 -8.765 -3.215 1.00 0.00 C ATOM 1269 C THR A 616 4.794 -9.180 -2.001 1.00 0.00 C ATOM 1270 O THR A 616 5.974 -9.501 -2.135 1.00 0.00 O ATOM 1271 CB THR A 616 4.421 -9.417 -4.520 1.00 0.00 C ATOM 1272 OG1 THR A 616 3.518 -8.909 -5.499 1.00 0.00 O ATOM 1273 CG2 THR A 616 4.179 -10.927 -4.538 1.00 0.00 C ATOM 0 H THR A 616 4.938 -6.944 -3.558 1.00 0.00 H new ATOM 0 HA THR A 616 2.946 -9.105 -3.005 1.00 0.00 H new ATOM 0 HB THR A 616 5.482 -9.218 -4.670 1.00 0.00 H new ATOM 0 HG1 THR A 616 3.745 -9.279 -6.377 1.00 0.00 H new ATOM 0 HG21 THR A 616 4.524 -11.340 -5.486 1.00 0.00 H new ATOM 0 HG22 THR A 616 4.727 -11.393 -3.719 1.00 0.00 H new ATOM 0 HG23 THR A 616 3.114 -11.126 -4.422 1.00 0.00 H new ATOM 1281 N PRO A 617 4.131 -9.160 -0.814 1.00 0.00 N ATOM 1282 CA PRO A 617 4.798 -9.531 0.422 1.00 0.00 C ATOM 1283 C PRO A 617 4.984 -11.047 0.512 1.00 0.00 C ATOM 1284 O PRO A 617 4.305 -11.801 -0.184 1.00 0.00 O ATOM 1285 CB PRO A 617 3.915 -8.974 1.528 1.00 0.00 C ATOM 1286 CG PRO A 617 2.559 -8.721 0.890 1.00 0.00 C ATOM 1287 CD PRO A 617 2.733 -8.786 -0.618 1.00 0.00 C ATOM 0 HA PRO A 617 5.807 -9.125 0.493 1.00 0.00 H new ATOM 0 HB2 PRO A 617 3.832 -9.680 2.355 1.00 0.00 H new ATOM 0 HB3 PRO A 617 4.333 -8.053 1.935 1.00 0.00 H new ATOM 0 HG2 PRO A 617 1.836 -9.465 1.223 1.00 0.00 H new ATOM 0 HG3 PRO A 617 2.173 -7.746 1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 617 2.061 -9.520 -1.063 1.00 0.00 H new ATOM 0 HD3 PRO A 617 2.511 -7.826 -1.084 1.00 0.00 H new ATOM 1361 N THR A 625 8.655 -7.431 -2.239 1.00 0.00 N ATOM 1362 CA THR A 625 9.069 -6.424 -3.201 1.00 0.00 C ATOM 1363 C THR A 625 7.847 -5.793 -3.872 1.00 0.00 C ATOM 1364 O THR A 625 6.769 -6.384 -3.888 1.00 0.00 O ATOM 1365 CB THR A 625 10.033 -7.083 -4.191 1.00 0.00 C ATOM 1366 OG1 THR A 625 9.400 -8.316 -4.523 1.00 0.00 O ATOM 1367 CG2 THR A 625 11.348 -7.505 -3.534 1.00 0.00 C ATOM 0 HA THR A 625 9.593 -5.603 -2.712 1.00 0.00 H new ATOM 0 HB THR A 625 10.241 -6.393 -5.009 1.00 0.00 H new ATOM 0 HG1 THR A 625 8.822 -8.597 -3.783 1.00 0.00 H new ATOM 0 HG21 THR A 625 11.995 -7.967 -4.279 1.00 0.00 H new ATOM 0 HG22 THR A 625 11.843 -6.629 -3.116 1.00 0.00 H new ATOM 0 HG23 THR A 625 11.144 -8.221 -2.738 1.00 0.00 H new ATOM 1375 N ILE A 626 8.057 -4.601 -4.410 1.00 0.00 N ATOM 1376 CA ILE A 626 6.986 -3.883 -5.080 1.00 0.00 C ATOM 1377 C ILE A 626 7.358 -3.676 -6.550 1.00 0.00 C ATOM 1378 O ILE A 626 8.421 -3.137 -6.855 1.00 0.00 O ATOM 1379 CB ILE A 626 6.666 -2.583 -4.338 1.00 0.00 C ATOM 1380 CG1 ILE A 626 7.155 -2.644 -2.890 1.00 0.00 C ATOM 1381 CG2 ILE A 626 5.174 -2.255 -4.427 1.00 0.00 C ATOM 1382 CD1 ILE A 626 8.578 -2.095 -2.768 1.00 0.00 C ATOM 0 H ILE A 626 8.953 -4.114 -4.396 1.00 0.00 H new ATOM 0 HA ILE A 626 6.066 -4.468 -5.062 1.00 0.00 H new ATOM 0 HB ILE A 626 7.204 -1.769 -4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 626 6.484 -2.070 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 626 7.127 -3.675 -2.536 1.00 0.00 H new ATOM 0 HG21 ILE A 626 4.973 -1.327 -3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 626 4.888 -2.140 -5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 626 4.596 -3.064 -3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 626 8.901 -2.150 -1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 626 9.251 -2.687 -3.389 1.00 0.00 H new ATOM 0 HD13 ILE A 626 8.597 -1.057 -3.100 1.00 0.00 H new ATOM 1394 N ARG A 627 6.463 -4.117 -7.421 1.00 0.00 N ATOM 1395 CA ARG A 627 6.684 -3.988 -8.851 1.00 0.00 C ATOM 1396 C ARG A 627 5.747 -2.931 -9.440 1.00 0.00 C ATOM 1397 O ARG A 627 4.529 -3.032 -9.305 1.00 0.00 O ATOM 1398 CB ARG A 627 6.453 -5.320 -9.567 1.00 0.00 C ATOM 1399 CG ARG A 627 7.473 -5.524 -10.690 1.00 0.00 C ATOM 1400 CD ARG A 627 8.575 -6.493 -10.259 1.00 0.00 C ATOM 1401 NE ARG A 627 8.368 -7.812 -10.898 1.00 0.00 N ATOM 1402 CZ ARG A 627 8.627 -8.072 -12.198 1.00 0.00 C ATOM 1403 NH1 ARG A 627 9.106 -7.104 -13.008 1.00 0.00 N ATOM 1404 NH2 ARG A 627 8.405 -9.286 -12.664 1.00 0.00 N ATOM 0 H ARG A 627 5.583 -4.564 -7.164 1.00 0.00 H new ATOM 0 HA ARG A 627 7.720 -3.684 -9.000 1.00 0.00 H new ATOM 0 HB2 ARG A 627 6.526 -6.139 -8.851 1.00 0.00 H new ATOM 0 HB3 ARG A 627 5.444 -5.345 -9.978 1.00 0.00 H new ATOM 0 HG2 ARG A 627 6.971 -5.910 -11.577 1.00 0.00 H new ATOM 0 HG3 ARG A 627 7.913 -4.566 -10.965 1.00 0.00 H new ATOM 0 HD2 ARG A 627 9.551 -6.094 -10.537 1.00 0.00 H new ATOM 0 HD3 ARG A 627 8.572 -6.601 -9.174 1.00 0.00 H new ATOM 0 HE ARG A 627 8.007 -8.572 -10.321 1.00 0.00 H new ATOM 0 HH11 ARG A 627 9.275 -6.168 -12.640 1.00 0.00 H new ATOM 0 HH12 ARG A 627 9.299 -7.309 -13.988 1.00 0.00 H new ATOM 0 HH21 ARG A 627 8.043 -10.012 -12.045 1.00 0.00 H new ATOM 0 HH22 ARG A 627 8.595 -9.499 -13.643 1.00 0.00 H new ATOM 1417 N THR A 628 6.351 -1.941 -10.080 1.00 0.00 N ATOM 1418 CA THR A 628 5.586 -0.866 -10.689 1.00 0.00 C ATOM 1419 C THR A 628 4.945 -1.342 -11.994 1.00 0.00 C ATOM 1420 O THR A 628 5.506 -2.183 -12.695 1.00 0.00 O ATOM 1421 CB THR A 628 6.518 0.333 -10.872 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.717 -0.054 -10.206 1.00 0.00 O ATOM 1423 CG2 THR A 628 6.044 1.566 -10.100 1.00 0.00 C ATOM 0 H THR A 628 7.362 -1.860 -10.190 1.00 0.00 H new ATOM 0 HA THR A 628 4.759 -0.558 -10.050 1.00 0.00 H new ATOM 0 HB THR A 628 6.594 0.575 -11.932 1.00 0.00 H new ATOM 0 HG1 THR A 628 8.378 0.666 -10.277 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.741 2.388 -10.264 1.00 0.00 H new ATOM 0 HG22 THR A 628 5.053 1.855 -10.449 1.00 0.00 H new ATOM 0 HG23 THR A 628 6.000 1.334 -9.036 1.00 0.00 H new ATOM 1431 N GLY A 629 3.779 -0.783 -12.281 1.00 0.00 N ATOM 1432 CA GLY A 629 3.055 -1.139 -13.490 1.00 0.00 C ATOM 1433 C GLY A 629 1.784 -1.922 -13.157 1.00 0.00 C ATOM 1434 O GLY A 629 1.778 -2.745 -12.243 1.00 0.00 O ATOM 0 H GLY A 629 3.317 -0.086 -11.697 1.00 0.00 H new ATOM 0 HA2 GLY A 629 2.796 -0.236 -14.042 1.00 0.00 H new ATOM 0 HA3 GLY A 629 3.695 -1.737 -14.139 1.00 0.00 H new ATOM 1438 N ALA A 630 0.736 -1.638 -13.917 1.00 0.00 N ATOM 1439 CA ALA A 630 -0.539 -2.306 -13.714 1.00 0.00 C ATOM 1440 C ALA A 630 -0.354 -3.814 -13.892 1.00 0.00 C ATOM 1441 O ALA A 630 0.085 -4.269 -14.947 1.00 0.00 O ATOM 1442 CB ALA A 630 -1.577 -1.728 -14.678 1.00 0.00 C ATOM 0 H ALA A 630 0.744 -0.955 -14.674 1.00 0.00 H new ATOM 0 HA ALA A 630 -0.904 -2.136 -12.701 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -2.533 -2.229 -14.526 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.693 -0.660 -14.491 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.246 -1.883 -15.705 1.00 0.00 H new ATOM 1448 N PRO A 631 -0.707 -4.567 -12.816 1.00 0.00 N ATOM 1449 CA PRO A 631 -0.585 -6.015 -12.844 1.00 0.00 C ATOM 1450 C PRO A 631 -1.694 -6.643 -13.691 1.00 0.00 C ATOM 1451 O PRO A 631 -2.736 -6.027 -13.911 1.00 0.00 O ATOM 1452 CB PRO A 631 -0.638 -6.442 -11.386 1.00 0.00 C ATOM 1453 CG PRO A 631 -1.251 -5.274 -10.631 1.00 0.00 C ATOM 1454 CD PRO A 631 -1.230 -4.063 -11.550 1.00 0.00 C ATOM 0 HA PRO A 631 0.341 -6.350 -13.311 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -1.239 -7.344 -11.265 1.00 0.00 H new ATOM 0 HB3 PRO A 631 0.359 -6.670 -11.009 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -2.272 -5.508 -10.330 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -0.689 -5.071 -9.719 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -2.228 -3.642 -11.673 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -0.598 -3.271 -11.148 1.00 0.00 H new ATOM 1462 N SER A 632 -1.431 -7.860 -14.144 1.00 0.00 N ATOM 1463 CA SER A 632 -2.393 -8.578 -14.962 1.00 0.00 C ATOM 1464 C SER A 632 -2.241 -10.085 -14.749 1.00 0.00 C ATOM 1465 O SER A 632 -1.722 -10.789 -15.614 1.00 0.00 O ATOM 1466 CB SER A 632 -2.224 -8.232 -16.443 1.00 0.00 C ATOM 1467 OG SER A 632 -3.474 -8.180 -17.125 1.00 0.00 O ATOM 0 H SER A 632 -0.565 -8.367 -13.960 1.00 0.00 H new ATOM 0 HA SER A 632 -3.394 -8.274 -14.657 1.00 0.00 H new ATOM 0 HB2 SER A 632 -1.720 -7.270 -16.535 1.00 0.00 H new ATOM 0 HB3 SER A 632 -1.583 -8.974 -16.918 1.00 0.00 H new ATOM 0 HG SER A 632 -3.324 -7.955 -18.067 1.00 0.00 H new