USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 579 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 618 THR OG1 : rot 56:sc= 0.185 USER MOD Set 1.2: A 620 TYR OH : rot 165:sc= 0 USER MOD Set 2.1: A 595 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 625 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 583 SER OG : rot -100:sc= 0.421 USER MOD Set 3.2: A 592 TYR OH : rot 10:sc= -0.461 USER MOD Set 4.1: A 572 THR OG1 : rot -56:sc= 1.09 USER MOD Set 4.2: A 574 SER OG : rot 180:sc= -0.0686 USER MOD Set 4.3: A 575 SER OG : rot 180:sc= 0.0172 USER MOD Single : A 561 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 564 THR OG1 : rot 180:sc= -0.0347 USER MOD Single : A 565 ASN : amide:sc= -0.0367 X(o=-0.037,f=0) USER MOD Single : A 568 SER OG : rot 180:sc= 0 USER MOD Single : A 569 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 571 GLN : amide:sc= -5.11! C(o=-5.1!,f=-3.6!) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0 USER MOD Single : A 577 THR OG1 : rot -160:sc= -0.455 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 581 THR OG1 : rot 87:sc= 0.319 USER MOD Single : A 584 THR OG1 : rot -62:sc= 0.129 USER MOD Single : A 586 ASN : amide:sc= -0.914 K(o=-0.91,f=-3!) USER MOD Single : A 590 THR OG1 : rot 180:sc= 0 USER MOD Single : A 596 ASN : amide:sc= -0.889 K(o=-0.89,f=-0.077) USER MOD Single : A 598 THR OG1 : rot 180:sc= 0 USER MOD Single : A 602 THR OG1 : rot 156:sc= -0.0185 USER MOD Single : A 603 THR OG1 : rot -75:sc= 1.15 USER MOD Single : A 605 THR OG1 : rot 180:sc= 0 USER MOD Single : A 607 THR OG1 : rot 180:sc= 0 USER MOD Single : A 608 THR OG1 : rot 180:sc= 0 USER MOD Single : A 610 THR OG1 : rot 180:sc= 0 USER MOD Single : A 612 SER OG : rot 180:sc= 0.00116 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 621 THR OG1 : rot 180:sc= 0 USER MOD Single : A 623 THR OG1 : rot 180:sc= -0.0389 USER MOD Single : A 627 LYS NZ :NH3+ -162:sc= -0.634 (180deg=-1.42!) USER MOD Single : A 632 ASN : amide:sc= -0.25 K(o=-0.25,f=-0.78) USER MOD Single : A 634 SER OG : rot 115:sc= 0.805 USER MOD Single : A 637 SER OG : rot 36:sc= 0.279 USER MOD Single : A 638 ASN : amide:sc= -0.0654 K(o=-0.065,f=-0.91) USER MOD Single : A 641 SER OG : rot 180:sc= 0 USER MOD Single : A 643 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 644 THR OG1 : rot 137:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 38 N ALA A 559 -17.771 3.155 3.804 1.00 0.00 N ATOM 39 CA ALA A 559 -16.389 3.047 3.351 1.00 0.00 C ATOM 40 C ALA A 559 -15.921 1.593 3.362 1.00 0.00 C ATOM 41 O ALA A 559 -16.410 0.782 4.150 1.00 0.00 O ATOM 42 CB ALA A 559 -15.483 3.904 4.222 1.00 0.00 C ATOM 0 HA ALA A 559 -16.336 3.410 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -14.454 3.815 3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -15.798 4.946 4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -15.547 3.566 5.256 1.00 0.00 H new ATOM 48 N PRO A 560 -14.962 1.239 2.484 1.00 0.00 N ATOM 49 CA PRO A 560 -14.432 -0.126 2.403 1.00 0.00 C ATOM 50 C PRO A 560 -13.619 -0.505 3.635 1.00 0.00 C ATOM 51 O PRO A 560 -13.579 0.237 4.616 1.00 0.00 O ATOM 52 CB PRO A 560 -13.541 -0.091 1.163 1.00 0.00 C ATOM 53 CG PRO A 560 -13.142 1.337 1.026 1.00 0.00 C ATOM 54 CD PRO A 560 -14.319 2.139 1.507 1.00 0.00 C ATOM 0 HA PRO A 560 -15.228 -0.869 2.348 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.670 -0.736 1.282 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -14.077 -0.439 0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -12.253 1.553 1.619 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.901 1.578 -0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -14.007 3.076 1.967 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.994 2.394 0.690 1.00 0.00 H new ATOM 62 N THR A 561 -12.976 -1.667 3.581 1.00 0.00 N ATOM 63 CA THR A 561 -12.169 -2.146 4.696 1.00 0.00 C ATOM 64 C THR A 561 -10.685 -1.886 4.461 1.00 0.00 C ATOM 65 O THR A 561 -10.166 -2.125 3.370 1.00 0.00 O ATOM 66 CB THR A 561 -12.387 -3.650 4.936 1.00 0.00 C ATOM 67 OG1 THR A 561 -11.727 -4.411 3.917 1.00 0.00 O ATOM 68 CG2 THR A 561 -13.871 -3.986 4.946 1.00 0.00 C ATOM 0 H THR A 561 -12.999 -2.294 2.777 1.00 0.00 H new ATOM 0 HA THR A 561 -12.490 -1.593 5.579 1.00 0.00 H new ATOM 0 HB THR A 561 -11.966 -3.905 5.908 1.00 0.00 H new ATOM 0 HG1 THR A 561 -11.870 -5.367 4.079 1.00 0.00 H new ATOM 0 HG21 THR A 561 -14.001 -5.055 5.117 1.00 0.00 H new ATOM 0 HG22 THR A 561 -14.365 -3.428 5.742 1.00 0.00 H new ATOM 0 HG23 THR A 561 -14.312 -3.716 3.986 1.00 0.00 H new ATOM 76 N ALA A 562 -10.009 -1.397 5.496 1.00 0.00 N ATOM 77 CA ALA A 562 -8.582 -1.105 5.416 1.00 0.00 C ATOM 78 C ALA A 562 -7.772 -2.378 5.184 1.00 0.00 C ATOM 79 O ALA A 562 -7.978 -3.381 5.868 1.00 0.00 O ATOM 80 CB ALA A 562 -8.117 -0.413 6.689 1.00 0.00 C ATOM 0 H ALA A 562 -10.429 -1.194 6.403 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.419 -0.440 4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -7.050 -0.200 6.618 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -8.666 0.520 6.817 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.301 -1.063 7.544 1.00 0.00 H new ATOM 86 N PRO A 563 -6.835 -2.355 4.215 1.00 0.00 N ATOM 87 CA PRO A 563 -5.990 -3.514 3.904 1.00 0.00 C ATOM 88 C PRO A 563 -5.428 -4.171 5.159 1.00 0.00 C ATOM 89 O PRO A 563 -5.275 -3.520 6.194 1.00 0.00 O ATOM 90 CB PRO A 563 -4.864 -2.906 3.071 1.00 0.00 C ATOM 91 CG PRO A 563 -5.491 -1.737 2.393 1.00 0.00 C ATOM 92 CD PRO A 563 -6.523 -1.198 3.351 1.00 0.00 C ATOM 0 HA PRO A 563 -6.543 -4.303 3.394 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.027 -2.599 3.699 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.474 -3.622 2.348 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -4.745 -0.978 2.157 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -5.952 -2.035 1.451 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -6.134 -0.360 3.929 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.408 -0.840 2.826 1.00 0.00 H new ATOM 100 N THR A 564 -5.128 -5.462 5.070 1.00 0.00 N ATOM 101 CA THR A 564 -4.593 -6.193 6.211 1.00 0.00 C ATOM 102 C THR A 564 -3.499 -7.170 5.790 1.00 0.00 C ATOM 103 O THR A 564 -3.504 -7.682 4.670 1.00 0.00 O ATOM 104 CB THR A 564 -5.700 -6.967 6.949 1.00 0.00 C ATOM 105 OG1 THR A 564 -5.131 -8.055 7.688 1.00 0.00 O ATOM 106 CG2 THR A 564 -6.733 -7.498 5.969 1.00 0.00 C ATOM 0 H THR A 564 -5.245 -6.021 4.225 1.00 0.00 H new ATOM 0 HA THR A 564 -4.165 -5.449 6.883 1.00 0.00 H new ATOM 0 HB THR A 564 -6.194 -6.282 7.638 1.00 0.00 H new ATOM 0 HG1 THR A 564 -5.842 -8.540 8.155 1.00 0.00 H new ATOM 0 HG21 THR A 564 -7.505 -8.041 6.513 1.00 0.00 H new ATOM 0 HG22 THR A 564 -7.186 -6.665 5.431 1.00 0.00 H new ATOM 0 HG23 THR A 564 -6.250 -8.169 5.259 1.00 0.00 H new ATOM 114 N ASN A 565 -2.570 -7.426 6.706 1.00 0.00 N ATOM 115 CA ASN A 565 -1.465 -8.347 6.457 1.00 0.00 C ATOM 116 C ASN A 565 -0.611 -7.907 5.270 1.00 0.00 C ATOM 117 O ASN A 565 -0.462 -8.647 4.296 1.00 0.00 O ATOM 118 CB ASN A 565 -1.996 -9.761 6.224 1.00 0.00 C ATOM 119 CG ASN A 565 -1.059 -10.828 6.757 1.00 0.00 C ATOM 120 OD1 ASN A 565 -0.490 -11.608 5.993 1.00 0.00 O ATOM 121 ND2 ASN A 565 -0.892 -10.866 8.074 1.00 0.00 N ATOM 0 H ASN A 565 -2.561 -7.005 7.635 1.00 0.00 H new ATOM 0 HA ASN A 565 -0.829 -8.340 7.342 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -2.969 -9.864 6.704 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -2.149 -9.917 5.156 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -0.272 -11.561 8.490 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -1.384 -10.200 8.670 1.00 0.00 H new ATOM 128 N LEU A 566 -0.034 -6.711 5.361 1.00 0.00 N ATOM 129 CA LEU A 566 0.823 -6.200 4.296 1.00 0.00 C ATOM 130 C LEU A 566 2.171 -6.912 4.332 1.00 0.00 C ATOM 131 O LEU A 566 2.543 -7.494 5.353 1.00 0.00 O ATOM 132 CB LEU A 566 1.022 -4.688 4.432 1.00 0.00 C ATOM 133 CG LEU A 566 1.999 -4.068 3.426 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.490 -4.234 2.002 1.00 0.00 C ATOM 135 CD2 LEU A 566 2.222 -2.599 3.738 1.00 0.00 C ATOM 0 H LEU A 566 -0.144 -6.082 6.156 1.00 0.00 H new ATOM 0 HA LEU A 566 0.338 -6.394 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 566 0.054 -4.199 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 566 1.377 -4.473 5.440 1.00 0.00 H new ATOM 0 HG LEU A 566 2.951 -4.592 3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.200 -3.786 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.381 -5.295 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.523 -3.740 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 566 2.918 -2.175 3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.272 -2.067 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 566 2.636 -2.499 4.741 1.00 0.00 H new ATOM 147 N ALA A 567 2.898 -6.875 3.221 1.00 0.00 N ATOM 148 CA ALA A 567 4.197 -7.531 3.151 1.00 0.00 C ATOM 149 C ALA A 567 5.041 -7.001 1.998 1.00 0.00 C ATOM 150 O ALA A 567 4.569 -6.219 1.174 1.00 0.00 O ATOM 151 CB ALA A 567 4.019 -9.036 3.020 1.00 0.00 C ATOM 0 H ALA A 567 2.613 -6.402 2.364 1.00 0.00 H new ATOM 0 HA ALA A 567 4.727 -7.308 4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 567 4.997 -9.515 2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.475 -9.415 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.458 -9.258 2.112 1.00 0.00 H new ATOM 157 N SER A 568 6.293 -7.448 1.946 1.00 0.00 N ATOM 158 CA SER A 568 7.217 -7.043 0.896 1.00 0.00 C ATOM 159 C SER A 568 7.949 -8.260 0.336 1.00 0.00 C ATOM 160 O SER A 568 8.501 -9.062 1.090 1.00 0.00 O ATOM 161 CB SER A 568 8.226 -6.029 1.434 1.00 0.00 C ATOM 162 OG SER A 568 8.060 -5.834 2.828 1.00 0.00 O ATOM 0 H SER A 568 6.691 -8.096 2.626 1.00 0.00 H new ATOM 0 HA SER A 568 6.644 -6.576 0.095 1.00 0.00 H new ATOM 0 HB2 SER A 568 9.239 -6.376 1.230 1.00 0.00 H new ATOM 0 HB3 SER A 568 8.104 -5.079 0.914 1.00 0.00 H new ATOM 0 HG SER A 568 8.718 -5.182 3.148 1.00 0.00 H new ATOM 168 N THR A 569 7.941 -8.399 -0.987 1.00 0.00 N ATOM 169 CA THR A 569 8.598 -9.528 -1.638 1.00 0.00 C ATOM 170 C THR A 569 9.891 -9.105 -2.328 1.00 0.00 C ATOM 171 O THR A 569 10.979 -9.239 -1.767 1.00 0.00 O ATOM 172 CB THR A 569 7.671 -10.193 -2.672 1.00 0.00 C ATOM 173 OG1 THR A 569 6.900 -9.195 -3.352 1.00 0.00 O ATOM 174 CG2 THR A 569 6.739 -11.192 -2.002 1.00 0.00 C ATOM 0 H THR A 569 7.489 -7.746 -1.627 1.00 0.00 H new ATOM 0 HA THR A 569 8.835 -10.245 -0.852 1.00 0.00 H new ATOM 0 HB THR A 569 8.291 -10.727 -3.392 1.00 0.00 H new ATOM 0 HG1 THR A 569 6.314 -9.626 -4.009 1.00 0.00 H new ATOM 0 HG21 THR A 569 6.094 -11.648 -2.753 1.00 0.00 H new ATOM 0 HG22 THR A 569 7.328 -11.966 -1.511 1.00 0.00 H new ATOM 0 HG23 THR A 569 6.126 -10.678 -1.262 1.00 0.00 H new ATOM 182 N ALA A 570 9.767 -8.606 -3.555 1.00 0.00 N ATOM 183 CA ALA A 570 10.925 -8.176 -4.328 1.00 0.00 C ATOM 184 C ALA A 570 11.279 -6.721 -4.040 1.00 0.00 C ATOM 185 O ALA A 570 10.698 -5.805 -4.621 1.00 0.00 O ATOM 186 CB ALA A 570 10.665 -8.372 -5.814 1.00 0.00 C ATOM 0 H ALA A 570 8.874 -8.490 -4.034 1.00 0.00 H new ATOM 0 HA ALA A 570 11.775 -8.790 -4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.537 -8.047 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 570 10.474 -9.426 -6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.798 -7.783 -6.112 1.00 0.00 H new ATOM 192 N GLN A 571 12.240 -6.518 -3.144 1.00 0.00 N ATOM 193 CA GLN A 571 12.676 -5.174 -2.783 1.00 0.00 C ATOM 194 C GLN A 571 14.131 -4.951 -3.183 1.00 0.00 C ATOM 195 O GLN A 571 15.050 -5.408 -2.504 1.00 0.00 O ATOM 196 CB GLN A 571 12.505 -4.944 -1.279 1.00 0.00 C ATOM 197 CG GLN A 571 13.066 -3.617 -0.795 1.00 0.00 C ATOM 198 CD GLN A 571 13.948 -3.768 0.429 1.00 0.00 C ATOM 199 OE1 GLN A 571 13.545 -4.364 1.428 1.00 0.00 O ATOM 200 NE2 GLN A 571 15.160 -3.228 0.359 1.00 0.00 N ATOM 0 H GLN A 571 12.731 -7.267 -2.655 1.00 0.00 H new ATOM 0 HA GLN A 571 12.055 -4.459 -3.323 1.00 0.00 H new ATOM 0 HB2 GLN A 571 11.445 -4.992 -1.032 1.00 0.00 H new ATOM 0 HB3 GLN A 571 12.995 -5.754 -0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 571 13.641 -3.155 -1.598 1.00 0.00 H new ATOM 0 HG3 GLN A 571 12.242 -2.941 -0.564 1.00 0.00 H new ATOM 0 HE21 GLN A 571 15.454 -2.743 -0.489 1.00 0.00 H new ATOM 0 HE22 GLN A 571 15.797 -3.299 1.153 1.00 0.00 H new ATOM 209 N THR A 572 14.331 -4.248 -4.293 1.00 0.00 N ATOM 210 CA THR A 572 15.672 -3.964 -4.790 1.00 0.00 C ATOM 211 C THR A 572 16.199 -2.646 -4.226 1.00 0.00 C ATOM 212 O THR A 572 15.748 -2.187 -3.176 1.00 0.00 O ATOM 213 CB THR A 572 15.697 -3.905 -6.328 1.00 0.00 C ATOM 214 OG1 THR A 572 14.962 -2.766 -6.788 1.00 0.00 O ATOM 215 CG2 THR A 572 15.103 -5.173 -6.926 1.00 0.00 C ATOM 0 H THR A 572 13.580 -3.864 -4.866 1.00 0.00 H new ATOM 0 HA THR A 572 16.316 -4.778 -4.457 1.00 0.00 H new ATOM 0 HB THR A 572 16.735 -3.820 -6.650 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.048 -2.802 -6.435 1.00 0.00 H new ATOM 0 HG21 THR A 572 15.131 -5.110 -8.014 1.00 0.00 H new ATOM 0 HG22 THR A 572 15.682 -6.036 -6.598 1.00 0.00 H new ATOM 0 HG23 THR A 572 14.070 -5.282 -6.595 1.00 0.00 H new ATOM 223 N THR A 573 17.157 -2.043 -4.925 1.00 0.00 N ATOM 224 CA THR A 573 17.745 -0.782 -4.487 1.00 0.00 C ATOM 225 C THR A 573 17.067 0.412 -5.154 1.00 0.00 C ATOM 226 O THR A 573 17.667 1.478 -5.293 1.00 0.00 O ATOM 227 CB THR A 573 19.255 -0.732 -4.787 1.00 0.00 C ATOM 228 OG1 THR A 573 19.491 -1.008 -6.173 1.00 0.00 O ATOM 229 CG2 THR A 573 20.010 -1.737 -3.929 1.00 0.00 C ATOM 0 H THR A 573 17.542 -2.408 -5.796 1.00 0.00 H new ATOM 0 HA THR A 573 17.591 -0.724 -3.409 1.00 0.00 H new ATOM 0 HB THR A 573 19.616 0.269 -4.551 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.453 -0.972 -6.354 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.074 -1.684 -4.158 1.00 0.00 H new ATOM 0 HG22 THR A 573 19.854 -1.506 -2.875 1.00 0.00 H new ATOM 0 HG23 THR A 573 19.644 -2.742 -4.138 1.00 0.00 H new ATOM 237 N SER A 574 15.815 0.228 -5.564 1.00 0.00 N ATOM 238 CA SER A 574 15.062 1.297 -6.214 1.00 0.00 C ATOM 239 C SER A 574 13.579 0.952 -6.307 1.00 0.00 C ATOM 240 O SER A 574 12.722 1.752 -5.932 1.00 0.00 O ATOM 241 CB SER A 574 15.621 1.563 -7.613 1.00 0.00 C ATOM 242 OG SER A 574 15.550 0.401 -8.421 1.00 0.00 O ATOM 0 H SER A 574 15.302 -0.647 -5.458 1.00 0.00 H new ATOM 0 HA SER A 574 15.166 2.196 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 574 15.062 2.372 -8.084 1.00 0.00 H new ATOM 0 HB3 SER A 574 16.657 1.894 -7.537 1.00 0.00 H new ATOM 0 HG SER A 574 15.912 0.598 -9.310 1.00 0.00 H new ATOM 248 N SER A 575 13.283 -0.239 -6.816 1.00 0.00 N ATOM 249 CA SER A 575 11.902 -0.684 -6.963 1.00 0.00 C ATOM 250 C SER A 575 11.553 -1.747 -5.926 1.00 0.00 C ATOM 251 O SER A 575 12.294 -2.712 -5.739 1.00 0.00 O ATOM 252 CB SER A 575 11.674 -1.236 -8.372 1.00 0.00 C ATOM 253 OG SER A 575 12.897 -1.631 -8.970 1.00 0.00 O ATOM 0 H SER A 575 13.980 -0.913 -7.133 1.00 0.00 H new ATOM 0 HA SER A 575 11.252 0.176 -6.803 1.00 0.00 H new ATOM 0 HB2 SER A 575 10.996 -2.088 -8.327 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.192 -0.478 -8.989 1.00 0.00 H new ATOM 0 HG SER A 575 12.724 -1.981 -9.869 1.00 0.00 H new ATOM 259 N ILE A 576 10.419 -1.562 -5.256 1.00 0.00 N ATOM 260 CA ILE A 576 9.969 -2.507 -4.239 1.00 0.00 C ATOM 261 C ILE A 576 8.589 -3.062 -4.575 1.00 0.00 C ATOM 262 O ILE A 576 7.730 -2.348 -5.095 1.00 0.00 O ATOM 263 CB ILE A 576 9.923 -1.855 -2.841 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.444 -2.868 -1.796 1.00 0.00 C ATOM 265 CG2 ILE A 576 9.019 -0.629 -2.859 1.00 0.00 C ATOM 266 CD1 ILE A 576 9.375 -2.313 -0.390 1.00 0.00 C ATOM 0 H ILE A 576 9.796 -0.767 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 576 10.692 -3.322 -4.226 1.00 0.00 H new ATOM 0 HB ILE A 576 10.929 -1.535 -2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.457 -3.231 -2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.114 -3.728 -1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 576 8.996 -0.179 -1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.403 0.096 -3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 576 8.010 -0.925 -3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.028 -3.090 0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 576 10.365 -1.977 -0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 576 8.682 -1.472 -0.364 1.00 0.00 H new ATOM 278 N THR A 577 8.384 -4.340 -4.268 1.00 0.00 N ATOM 279 CA THR A 577 7.109 -4.998 -4.527 1.00 0.00 C ATOM 280 C THR A 577 6.351 -5.230 -3.224 1.00 0.00 C ATOM 281 O THR A 577 6.816 -5.957 -2.346 1.00 0.00 O ATOM 282 CB THR A 577 7.307 -6.348 -5.244 1.00 0.00 C ATOM 283 OG1 THR A 577 8.123 -6.170 -6.409 1.00 0.00 O ATOM 284 CG2 THR A 577 5.969 -6.951 -5.644 1.00 0.00 C ATOM 0 H THR A 577 9.087 -4.941 -3.838 1.00 0.00 H new ATOM 0 HA THR A 577 6.531 -4.339 -5.175 1.00 0.00 H new ATOM 0 HB THR A 577 7.803 -7.030 -4.554 1.00 0.00 H new ATOM 0 HG1 THR A 577 7.990 -6.925 -7.020 1.00 0.00 H new ATOM 0 HG21 THR A 577 6.135 -7.903 -6.148 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.362 -7.113 -4.753 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.450 -6.269 -6.318 1.00 0.00 H new ATOM 292 N LEU A 578 5.186 -4.602 -3.101 1.00 0.00 N ATOM 293 CA LEU A 578 4.370 -4.733 -1.900 1.00 0.00 C ATOM 294 C LEU A 578 3.122 -5.566 -2.171 1.00 0.00 C ATOM 295 O LEU A 578 2.442 -5.376 -3.179 1.00 0.00 O ATOM 296 CB LEU A 578 3.974 -3.346 -1.379 1.00 0.00 C ATOM 297 CG LEU A 578 4.370 -3.042 0.072 1.00 0.00 C ATOM 298 CD1 LEU A 578 5.768 -3.559 0.381 1.00 0.00 C ATOM 299 CD2 LEU A 578 4.289 -1.547 0.337 1.00 0.00 C ATOM 0 H LEU A 578 4.786 -3.997 -3.819 1.00 0.00 H new ATOM 0 HA LEU A 578 4.962 -5.246 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 578 4.426 -2.593 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 578 2.893 -3.238 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 578 3.669 -3.557 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 578 6.021 -3.329 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 578 5.798 -4.638 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 578 6.488 -3.081 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 578 4.572 -1.345 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 578 4.967 -1.021 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 578 3.269 -1.202 0.166 1.00 0.00 H new ATOM 311 N SER A 579 2.826 -6.489 -1.261 1.00 0.00 N ATOM 312 CA SER A 579 1.658 -7.353 -1.393 1.00 0.00 C ATOM 313 C SER A 579 0.844 -7.349 -0.102 1.00 0.00 C ATOM 314 O SER A 579 1.403 -7.416 0.993 1.00 0.00 O ATOM 315 CB SER A 579 2.091 -8.779 -1.740 1.00 0.00 C ATOM 316 OG SER A 579 1.041 -9.495 -2.366 1.00 0.00 O ATOM 0 H SER A 579 3.381 -6.658 -0.422 1.00 0.00 H new ATOM 0 HA SER A 579 1.033 -6.970 -2.199 1.00 0.00 H new ATOM 0 HB2 SER A 579 2.958 -8.748 -2.400 1.00 0.00 H new ATOM 0 HB3 SER A 579 2.399 -9.299 -0.833 1.00 0.00 H new ATOM 0 HG SER A 579 1.345 -10.402 -2.579 1.00 0.00 H new ATOM 322 N TRP A 580 -0.476 -7.260 -0.236 1.00 0.00 N ATOM 323 CA TRP A 580 -1.362 -7.235 0.924 1.00 0.00 C ATOM 324 C TRP A 580 -2.704 -7.882 0.604 1.00 0.00 C ATOM 325 O TRP A 580 -3.007 -8.169 -0.553 1.00 0.00 O ATOM 326 CB TRP A 580 -1.583 -5.794 1.386 1.00 0.00 C ATOM 327 CG TRP A 580 -2.208 -4.930 0.331 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.527 -4.591 0.222 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.540 -4.301 -0.769 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.719 -3.790 -0.879 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.514 -3.597 -1.503 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.213 -4.263 -1.203 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.200 -2.866 -2.647 1.00 0.00 C ATOM 334 CZ3 TRP A 580 0.097 -3.537 -2.337 1.00 0.00 C ATOM 335 CH2 TRP A 580 -0.892 -2.847 -3.047 1.00 0.00 C ATOM 0 H TRP A 580 -0.955 -7.204 -1.135 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.886 -7.804 1.723 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.220 -5.795 2.271 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.627 -5.362 1.682 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.305 -4.906 0.901 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.613 -3.403 -1.182 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.557 -4.792 -0.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -2.962 -2.334 -3.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.120 -3.501 -2.681 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.617 -2.288 -3.929 1.00 0.00 H new ATOM 346 N THR A 581 -3.506 -8.103 1.640 1.00 0.00 N ATOM 347 CA THR A 581 -4.819 -8.709 1.471 1.00 0.00 C ATOM 348 C THR A 581 -5.850 -7.668 1.048 1.00 0.00 C ATOM 349 O THR A 581 -6.139 -6.729 1.790 1.00 0.00 O ATOM 350 CB THR A 581 -5.297 -9.390 2.766 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.223 -10.134 3.355 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.469 -10.320 2.486 1.00 0.00 C ATOM 0 H THR A 581 -3.269 -7.871 2.605 1.00 0.00 H new ATOM 0 HA THR A 581 -4.722 -9.463 0.690 1.00 0.00 H new ATOM 0 HB THR A 581 -5.624 -8.615 3.459 1.00 0.00 H new ATOM 0 HG1 THR A 581 -3.698 -9.546 3.937 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.790 -10.790 3.415 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.295 -9.747 2.065 1.00 0.00 H new ATOM 0 HG23 THR A 581 -6.162 -11.089 1.777 1.00 0.00 H new ATOM 360 N ALA A 582 -6.400 -7.842 -0.151 1.00 0.00 N ATOM 361 CA ALA A 582 -7.399 -6.918 -0.673 1.00 0.00 C ATOM 362 C ALA A 582 -8.634 -6.887 0.218 1.00 0.00 C ATOM 363 O ALA A 582 -8.918 -7.847 0.934 1.00 0.00 O ATOM 364 CB ALA A 582 -7.782 -7.303 -2.095 1.00 0.00 C ATOM 0 H ALA A 582 -6.170 -8.614 -0.777 1.00 0.00 H new ATOM 0 HA ALA A 582 -6.964 -5.919 -0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -8.529 -6.605 -2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -6.898 -7.268 -2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -8.194 -8.312 -2.100 1.00 0.00 H new ATOM 370 N SER A 583 -9.365 -5.777 0.169 1.00 0.00 N ATOM 371 CA SER A 583 -10.572 -5.619 0.971 1.00 0.00 C ATOM 372 C SER A 583 -11.591 -6.703 0.635 1.00 0.00 C ATOM 373 O SER A 583 -12.029 -6.823 -0.509 1.00 0.00 O ATOM 374 CB SER A 583 -11.185 -4.237 0.741 1.00 0.00 C ATOM 375 OG SER A 583 -10.178 -3.253 0.579 1.00 0.00 O ATOM 0 H SER A 583 -9.141 -4.974 -0.418 1.00 0.00 H new ATOM 0 HA SER A 583 -10.297 -5.716 2.021 1.00 0.00 H new ATOM 0 HB2 SER A 583 -11.821 -4.260 -0.144 1.00 0.00 H new ATOM 0 HB3 SER A 583 -11.823 -3.974 1.585 1.00 0.00 H new ATOM 0 HG SER A 583 -10.058 -2.766 1.421 1.00 0.00 H new ATOM 381 N THR A 584 -11.964 -7.490 1.640 1.00 0.00 N ATOM 382 CA THR A 584 -12.931 -8.564 1.449 1.00 0.00 C ATOM 383 C THR A 584 -14.301 -8.014 1.067 1.00 0.00 C ATOM 384 O THR A 584 -15.161 -8.748 0.582 1.00 0.00 O ATOM 385 CB THR A 584 -13.072 -9.427 2.717 1.00 0.00 C ATOM 386 OG1 THR A 584 -12.108 -9.024 3.698 1.00 0.00 O ATOM 387 CG2 THR A 584 -12.881 -10.900 2.387 1.00 0.00 C ATOM 0 H THR A 584 -11.611 -7.404 2.593 1.00 0.00 H new ATOM 0 HA THR A 584 -12.554 -9.184 0.636 1.00 0.00 H new ATOM 0 HB THR A 584 -14.075 -9.284 3.118 1.00 0.00 H new ATOM 0 HG1 THR A 584 -11.204 -9.166 3.346 1.00 0.00 H new ATOM 0 HG21 THR A 584 -12.984 -11.493 3.296 1.00 0.00 H new ATOM 0 HG22 THR A 584 -13.634 -11.211 1.663 1.00 0.00 H new ATOM 0 HG23 THR A 584 -11.887 -11.053 1.965 1.00 0.00 H new ATOM 395 N ASP A 585 -14.496 -6.718 1.286 1.00 0.00 N ATOM 396 CA ASP A 585 -15.761 -6.069 0.963 1.00 0.00 C ATOM 397 C ASP A 585 -15.899 -5.867 -0.542 1.00 0.00 C ATOM 398 O ASP A 585 -16.765 -6.465 -1.181 1.00 0.00 O ATOM 399 CB ASP A 585 -15.867 -4.725 1.678 1.00 0.00 C ATOM 400 CG ASP A 585 -16.576 -4.835 3.013 1.00 0.00 C ATOM 401 OD1 ASP A 585 -16.214 -5.729 3.806 1.00 0.00 O ATOM 402 OD2 ASP A 585 -17.494 -4.027 3.266 1.00 0.00 O ATOM 0 H ASP A 585 -13.793 -6.096 1.686 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.569 -6.717 1.302 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -14.867 -4.319 1.833 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -16.402 -4.020 1.042 1.00 0.00 H new ATOM 407 N ASN A 586 -15.040 -5.017 -1.099 1.00 0.00 N ATOM 408 CA ASN A 586 -15.062 -4.728 -2.529 1.00 0.00 C ATOM 409 C ASN A 586 -16.430 -4.192 -2.953 1.00 0.00 C ATOM 410 O ASN A 586 -16.980 -3.313 -2.289 1.00 0.00 O ATOM 411 CB ASN A 586 -14.697 -5.979 -3.326 1.00 0.00 C ATOM 412 CG ASN A 586 -14.164 -5.649 -4.707 1.00 0.00 C ATOM 413 OD1 ASN A 586 -13.519 -4.620 -4.907 1.00 0.00 O ATOM 414 ND2 ASN A 586 -14.431 -6.525 -5.670 1.00 0.00 N ATOM 0 H ASN A 586 -14.319 -4.516 -0.580 1.00 0.00 H new ATOM 0 HA ASN A 586 -14.321 -3.957 -2.739 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -13.948 -6.550 -2.777 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -15.577 -6.615 -3.421 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -14.097 -6.357 -6.619 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -14.969 -7.365 -5.460 1.00 0.00 H new ATOM 421 N VAL A 587 -16.970 -4.721 -4.057 1.00 0.00 N ATOM 422 CA VAL A 587 -18.273 -4.298 -4.575 1.00 0.00 C ATOM 423 C VAL A 587 -18.412 -2.772 -4.578 1.00 0.00 C ATOM 424 O VAL A 587 -19.521 -2.233 -4.557 1.00 0.00 O ATOM 425 CB VAL A 587 -19.439 -4.938 -3.782 1.00 0.00 C ATOM 426 CG1 VAL A 587 -19.677 -4.222 -2.460 1.00 0.00 C ATOM 427 CG2 VAL A 587 -20.709 -4.955 -4.622 1.00 0.00 C ATOM 0 H VAL A 587 -16.519 -5.449 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 587 -18.328 -4.649 -5.606 1.00 0.00 H new ATOM 0 HB VAL A 587 -19.159 -5.966 -3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -20.502 -4.699 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -18.776 -4.276 -1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -19.924 -3.178 -2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -21.518 -5.408 -4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -20.982 -3.934 -4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -20.538 -5.535 -5.529 1.00 0.00 H new ATOM 437 N GLY A 588 -17.276 -2.085 -4.610 1.00 0.00 N ATOM 438 CA GLY A 588 -17.275 -0.635 -4.619 1.00 0.00 C ATOM 439 C GLY A 588 -15.873 -0.067 -4.695 1.00 0.00 C ATOM 440 O GLY A 588 -15.678 1.080 -5.098 1.00 0.00 O ATOM 0 H GLY A 588 -16.349 -2.511 -4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.857 -0.278 -5.469 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.767 -0.267 -3.718 1.00 0.00 H new ATOM 444 N VAL A 589 -14.891 -0.879 -4.309 1.00 0.00 N ATOM 445 CA VAL A 589 -13.494 -0.463 -4.337 1.00 0.00 C ATOM 446 C VAL A 589 -12.953 -0.484 -5.764 1.00 0.00 C ATOM 447 O VAL A 589 -13.172 -1.441 -6.507 1.00 0.00 O ATOM 448 CB VAL A 589 -12.620 -1.372 -3.451 1.00 0.00 C ATOM 449 CG1 VAL A 589 -11.224 -0.789 -3.295 1.00 0.00 C ATOM 450 CG2 VAL A 589 -13.271 -1.577 -2.092 1.00 0.00 C ATOM 0 H VAL A 589 -15.039 -1.830 -3.973 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.452 0.554 -3.947 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.531 -2.343 -3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.623 -1.446 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.756 -0.698 -4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -11.290 0.195 -2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.640 -2.221 -1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -13.393 -0.613 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -14.247 -2.044 -2.223 1.00 0.00 H new ATOM 460 N THR A 590 -12.249 0.578 -6.142 1.00 0.00 N ATOM 461 CA THR A 590 -11.684 0.679 -7.483 1.00 0.00 C ATOM 462 C THR A 590 -10.187 0.389 -7.477 1.00 0.00 C ATOM 463 O THR A 590 -9.695 -0.390 -8.294 1.00 0.00 O ATOM 464 CB THR A 590 -11.925 2.073 -8.095 1.00 0.00 C ATOM 465 OG1 THR A 590 -11.022 2.292 -9.187 1.00 0.00 O ATOM 466 CG2 THR A 590 -11.739 3.165 -7.052 1.00 0.00 C ATOM 0 H THR A 590 -12.056 1.379 -5.541 1.00 0.00 H new ATOM 0 HA THR A 590 -12.192 -0.068 -8.093 1.00 0.00 H new ATOM 0 HB THR A 590 -12.952 2.111 -8.458 1.00 0.00 H new ATOM 0 HG1 THR A 590 -11.183 3.179 -9.571 1.00 0.00 H new ATOM 0 HG21 THR A 590 -11.915 4.139 -7.509 1.00 0.00 H new ATOM 0 HG22 THR A 590 -12.447 3.014 -6.237 1.00 0.00 H new ATOM 0 HG23 THR A 590 -10.722 3.126 -6.661 1.00 0.00 H new ATOM 474 N GLY A 591 -9.467 1.021 -6.555 1.00 0.00 N ATOM 475 CA GLY A 591 -8.034 0.815 -6.470 1.00 0.00 C ATOM 476 C GLY A 591 -7.495 0.997 -5.065 1.00 0.00 C ATOM 477 O GLY A 591 -8.250 1.277 -4.133 1.00 0.00 O ATOM 0 H GLY A 591 -9.850 1.670 -5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.795 -0.190 -6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.531 1.512 -7.140 1.00 0.00 H new ATOM 481 N TYR A 592 -6.184 0.836 -4.916 1.00 0.00 N ATOM 482 CA TYR A 592 -5.531 0.980 -3.621 1.00 0.00 C ATOM 483 C TYR A 592 -4.379 1.978 -3.700 1.00 0.00 C ATOM 484 O TYR A 592 -3.546 1.906 -4.605 1.00 0.00 O ATOM 485 CB TYR A 592 -5.006 -0.374 -3.136 1.00 0.00 C ATOM 486 CG TYR A 592 -6.076 -1.434 -2.999 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.518 -2.148 -4.105 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.650 -1.714 -1.765 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.500 -3.113 -3.986 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.632 -2.677 -1.637 1.00 0.00 C ATOM 491 CZ TYR A 592 -8.035 -3.392 -2.747 1.00 0.00 C ATOM 492 OH TYR A 592 -9.034 -4.332 -2.627 1.00 0.00 O ATOM 0 H TYR A 592 -5.551 0.604 -5.681 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.270 1.354 -2.912 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.245 -0.728 -3.832 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.517 -0.238 -2.171 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -6.087 -1.946 -5.074 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -6.323 -1.170 -0.891 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -7.846 -3.646 -4.859 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -8.082 -2.869 -0.674 1.00 0.00 H new ATOM 0 HH TYR A 592 -9.134 -4.813 -3.475 1.00 0.00 H new ATOM 502 N ASP A 593 -4.330 2.899 -2.746 1.00 0.00 N ATOM 503 CA ASP A 593 -3.272 3.902 -2.703 1.00 0.00 C ATOM 504 C ASP A 593 -2.314 3.614 -1.554 1.00 0.00 C ATOM 505 O ASP A 593 -2.729 3.521 -0.399 1.00 0.00 O ATOM 506 CB ASP A 593 -3.871 5.302 -2.549 1.00 0.00 C ATOM 507 CG ASP A 593 -4.007 6.022 -3.878 1.00 0.00 C ATOM 508 OD1 ASP A 593 -3.232 5.707 -4.806 1.00 0.00 O ATOM 509 OD2 ASP A 593 -4.889 6.899 -3.991 1.00 0.00 O ATOM 0 H ASP A 593 -5.011 2.973 -1.990 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.718 3.859 -3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -4.851 5.225 -2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -3.242 5.892 -1.882 1.00 0.00 H new ATOM 514 N VAL A 594 -1.033 3.464 -1.873 1.00 0.00 N ATOM 515 CA VAL A 594 -0.029 3.175 -0.856 1.00 0.00 C ATOM 516 C VAL A 594 0.732 4.437 -0.456 1.00 0.00 C ATOM 517 O VAL A 594 1.098 5.249 -1.304 1.00 0.00 O ATOM 518 CB VAL A 594 0.958 2.084 -1.330 1.00 0.00 C ATOM 519 CG1 VAL A 594 0.969 1.994 -2.845 1.00 0.00 C ATOM 520 CG2 VAL A 594 2.365 2.327 -0.795 1.00 0.00 C ATOM 0 H VAL A 594 -0.667 3.537 -2.822 1.00 0.00 H new ATOM 0 HA VAL A 594 -0.558 2.799 0.020 1.00 0.00 H new ATOM 0 HB VAL A 594 0.614 1.131 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 594 1.670 1.220 -3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 594 -0.030 1.744 -3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 594 1.275 2.952 -3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 594 3.030 1.540 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 594 2.726 3.293 -1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 594 2.346 2.322 0.295 1.00 0.00 H new ATOM 530 N TYR A 595 0.959 4.591 0.845 1.00 0.00 N ATOM 531 CA TYR A 595 1.671 5.749 1.374 1.00 0.00 C ATOM 532 C TYR A 595 3.130 5.409 1.658 1.00 0.00 C ATOM 533 O TYR A 595 3.451 4.293 2.068 1.00 0.00 O ATOM 534 CB TYR A 595 1.003 6.236 2.660 1.00 0.00 C ATOM 535 CG TYR A 595 -0.369 6.839 2.452 1.00 0.00 C ATOM 536 CD1 TYR A 595 -0.521 8.196 2.202 1.00 0.00 C ATOM 537 CD2 TYR A 595 -1.513 6.050 2.509 1.00 0.00 C ATOM 538 CE1 TYR A 595 -1.773 8.752 2.015 1.00 0.00 C ATOM 539 CE2 TYR A 595 -2.768 6.598 2.322 1.00 0.00 C ATOM 540 CZ TYR A 595 -2.893 7.948 2.076 1.00 0.00 C ATOM 541 OH TYR A 595 -4.141 8.497 1.890 1.00 0.00 O ATOM 0 H TYR A 595 0.658 3.924 1.556 1.00 0.00 H new ATOM 0 HA TYR A 595 1.635 6.538 0.623 1.00 0.00 H new ATOM 0 HB2 TYR A 595 0.919 5.399 3.353 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.647 6.978 3.133 1.00 0.00 H new ATOM 0 HD1 TYR A 595 0.353 8.828 2.153 1.00 0.00 H new ATOM 0 HD2 TYR A 595 -1.419 4.992 2.703 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -1.874 9.810 1.822 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -3.646 5.971 2.368 1.00 0.00 H new ATOM 0 HH TYR A 595 -4.821 7.795 1.963 1.00 0.00 H new ATOM 551 N ASN A 596 4.009 6.383 1.448 1.00 0.00 N ATOM 552 CA ASN A 596 5.435 6.196 1.689 1.00 0.00 C ATOM 553 C ASN A 596 5.904 7.098 2.826 1.00 0.00 C ATOM 554 O ASN A 596 6.313 8.237 2.600 1.00 0.00 O ATOM 555 CB ASN A 596 6.234 6.489 0.416 1.00 0.00 C ATOM 556 CG ASN A 596 7.727 6.581 0.673 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.416 7.426 0.102 1.00 0.00 O ATOM 558 ND2 ASN A 596 8.236 5.710 1.537 1.00 0.00 N ATOM 0 H ASN A 596 3.758 7.312 1.111 1.00 0.00 H new ATOM 0 HA ASN A 596 5.604 5.158 1.975 1.00 0.00 H new ATOM 0 HB2 ASN A 596 6.043 5.705 -0.317 1.00 0.00 H new ATOM 0 HB3 ASN A 596 5.886 7.425 -0.020 1.00 0.00 H new ATOM 0 HD21 ASN A 596 9.234 5.726 1.749 1.00 0.00 H new ATOM 0 HD22 ASN A 596 7.629 5.026 1.989 1.00 0.00 H new ATOM 565 N GLY A 597 5.833 6.583 4.049 1.00 0.00 N ATOM 566 CA GLY A 597 6.245 7.357 5.206 1.00 0.00 C ATOM 567 C GLY A 597 5.162 8.311 5.670 1.00 0.00 C ATOM 568 O GLY A 597 4.552 8.105 6.719 1.00 0.00 O ATOM 0 H GLY A 597 5.497 5.643 4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.505 6.680 6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 597 7.145 7.922 4.962 1.00 0.00 H new ATOM 572 N THR A 598 4.922 9.354 4.881 1.00 0.00 N ATOM 573 CA THR A 598 3.902 10.346 5.206 1.00 0.00 C ATOM 574 C THR A 598 3.278 10.919 3.939 1.00 0.00 C ATOM 575 O THR A 598 2.205 11.521 3.980 1.00 0.00 O ATOM 576 CB THR A 598 4.482 11.498 6.049 1.00 0.00 C ATOM 577 OG1 THR A 598 5.744 11.912 5.512 1.00 0.00 O ATOM 578 CG2 THR A 598 4.658 11.074 7.499 1.00 0.00 C ATOM 0 H THR A 598 5.421 9.534 4.010 1.00 0.00 H new ATOM 0 HA THR A 598 3.136 9.835 5.789 1.00 0.00 H new ATOM 0 HB THR A 598 3.781 12.332 6.013 1.00 0.00 H new ATOM 0 HG1 THR A 598 6.105 12.646 6.053 1.00 0.00 H new ATOM 0 HG21 THR A 598 5.069 11.904 8.074 1.00 0.00 H new ATOM 0 HG22 THR A 598 3.692 10.788 7.914 1.00 0.00 H new ATOM 0 HG23 THR A 598 5.340 10.225 7.550 1.00 0.00 H new ATOM 586 N ALA A 599 3.955 10.720 2.811 1.00 0.00 N ATOM 587 CA ALA A 599 3.466 11.208 1.528 1.00 0.00 C ATOM 588 C ALA A 599 3.151 10.047 0.592 1.00 0.00 C ATOM 589 O ALA A 599 3.932 9.103 0.476 1.00 0.00 O ATOM 590 CB ALA A 599 4.484 12.143 0.891 1.00 0.00 C ATOM 0 H ALA A 599 4.845 10.223 2.761 1.00 0.00 H new ATOM 0 HA ALA A 599 2.545 11.765 1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 599 4.103 12.498 -0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 599 4.659 12.993 1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 599 5.420 11.608 0.733 1.00 0.00 H new ATOM 596 N LEU A 600 1.998 10.124 -0.069 1.00 0.00 N ATOM 597 CA LEU A 600 1.567 9.079 -0.995 1.00 0.00 C ATOM 598 C LEU A 600 2.684 8.700 -1.964 1.00 0.00 C ATOM 599 O LEU A 600 3.504 9.538 -2.340 1.00 0.00 O ATOM 600 CB LEU A 600 0.333 9.541 -1.773 1.00 0.00 C ATOM 601 CG LEU A 600 -0.211 8.536 -2.788 1.00 0.00 C ATOM 602 CD1 LEU A 600 -1.586 8.045 -2.368 1.00 0.00 C ATOM 603 CD2 LEU A 600 -0.265 9.158 -4.176 1.00 0.00 C ATOM 0 H LEU A 600 1.344 10.901 0.020 1.00 0.00 H new ATOM 0 HA LEU A 600 1.314 8.195 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.458 9.778 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.578 10.465 -2.296 1.00 0.00 H new ATOM 0 HG LEU A 600 0.463 7.680 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -1.957 7.330 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -1.518 7.561 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 600 -2.271 8.891 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -0.655 8.429 -4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 600 -0.917 10.031 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 600 0.738 9.460 -4.479 1.00 0.00 H new ATOM 615 N ALA A 601 2.706 7.430 -2.362 1.00 0.00 N ATOM 616 CA ALA A 601 3.719 6.934 -3.286 1.00 0.00 C ATOM 617 C ALA A 601 3.091 6.489 -4.607 1.00 0.00 C ATOM 618 O ALA A 601 2.685 7.322 -5.417 1.00 0.00 O ATOM 619 CB ALA A 601 4.505 5.797 -2.649 1.00 0.00 C ATOM 0 H ALA A 601 2.033 6.727 -2.058 1.00 0.00 H new ATOM 0 HA ALA A 601 4.408 7.750 -3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.257 5.437 -3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 601 4.995 6.156 -1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 601 3.826 4.983 -2.396 1.00 0.00 H new ATOM 625 N THR A 602 3.018 5.177 -4.827 1.00 0.00 N ATOM 626 CA THR A 602 2.443 4.645 -6.057 1.00 0.00 C ATOM 627 C THR A 602 0.944 4.385 -5.918 1.00 0.00 C ATOM 628 O THR A 602 0.391 4.402 -4.813 1.00 0.00 O ATOM 629 CB THR A 602 3.146 3.346 -6.499 1.00 0.00 C ATOM 630 OG1 THR A 602 2.806 3.042 -7.856 1.00 0.00 O ATOM 631 CG2 THR A 602 2.763 2.178 -5.605 1.00 0.00 C ATOM 0 H THR A 602 3.348 4.468 -4.172 1.00 0.00 H new ATOM 0 HA THR A 602 2.597 5.408 -6.820 1.00 0.00 H new ATOM 0 HB THR A 602 4.221 3.503 -6.416 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.505 2.479 -8.250 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.275 1.277 -5.943 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.053 2.396 -4.577 1.00 0.00 H new ATOM 0 HG23 THR A 602 1.685 2.022 -5.652 1.00 0.00 H new ATOM 639 N THR A 603 0.299 4.137 -7.054 1.00 0.00 N ATOM 640 CA THR A 603 -1.132 3.864 -7.092 1.00 0.00 C ATOM 641 C THR A 603 -1.406 2.588 -7.876 1.00 0.00 C ATOM 642 O THR A 603 -0.896 2.406 -8.981 1.00 0.00 O ATOM 643 CB THR A 603 -1.912 5.028 -7.733 1.00 0.00 C ATOM 644 OG1 THR A 603 -1.669 6.240 -7.009 1.00 0.00 O ATOM 645 CG2 THR A 603 -3.405 4.735 -7.752 1.00 0.00 C ATOM 0 H THR A 603 0.751 4.120 -7.968 1.00 0.00 H new ATOM 0 HA THR A 603 -1.469 3.745 -6.062 1.00 0.00 H new ATOM 0 HB THR A 603 -1.567 5.143 -8.760 1.00 0.00 H new ATOM 0 HG1 THR A 603 -2.168 6.223 -6.165 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.934 5.571 -8.209 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.591 3.829 -8.329 1.00 0.00 H new ATOM 0 HG23 THR A 603 -3.761 4.595 -6.731 1.00 0.00 H new ATOM 653 N VAL A 604 -2.203 1.701 -7.294 1.00 0.00 N ATOM 654 CA VAL A 604 -2.529 0.436 -7.938 1.00 0.00 C ATOM 655 C VAL A 604 -4.025 0.151 -7.884 1.00 0.00 C ATOM 656 O VAL A 604 -4.804 0.962 -7.384 1.00 0.00 O ATOM 657 CB VAL A 604 -1.764 -0.724 -7.281 1.00 0.00 C ATOM 658 CG1 VAL A 604 -0.286 -0.646 -7.631 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.958 -0.710 -5.772 1.00 0.00 C ATOM 0 H VAL A 604 -2.634 1.834 -6.379 1.00 0.00 H new ATOM 0 HA VAL A 604 -2.229 0.520 -8.982 1.00 0.00 H new ATOM 0 HB VAL A 604 -2.163 -1.663 -7.666 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.244 -1.473 -7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -0.164 -0.707 -8.712 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.123 0.298 -7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.408 -1.539 -5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.587 0.231 -5.366 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -3.018 -0.812 -5.541 1.00 0.00 H new ATOM 669 N THR A 605 -4.420 -1.007 -8.405 1.00 0.00 N ATOM 670 CA THR A 605 -5.824 -1.403 -8.420 1.00 0.00 C ATOM 671 C THR A 605 -5.968 -2.912 -8.241 1.00 0.00 C ATOM 672 O THR A 605 -7.014 -3.485 -8.546 1.00 0.00 O ATOM 673 CB THR A 605 -6.516 -0.987 -9.732 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.764 -1.458 -10.856 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.662 0.527 -9.814 1.00 0.00 C ATOM 0 H THR A 605 -3.786 -1.688 -8.823 1.00 0.00 H new ATOM 0 HA THR A 605 -6.305 -0.889 -7.588 1.00 0.00 H new ATOM 0 HB THR A 605 -7.510 -1.434 -9.747 1.00 0.00 H new ATOM 0 HG1 THR A 605 -6.213 -1.190 -11.685 1.00 0.00 H new ATOM 0 HG21 THR A 605 -7.153 0.795 -10.749 1.00 0.00 H new ATOM 0 HG22 THR A 605 -7.261 0.881 -8.975 1.00 0.00 H new ATOM 0 HG23 THR A 605 -5.676 0.990 -9.776 1.00 0.00 H new ATOM 683 N GLY A 606 -4.908 -3.549 -7.749 1.00 0.00 N ATOM 684 CA GLY A 606 -4.936 -4.986 -7.542 1.00 0.00 C ATOM 685 C GLY A 606 -4.520 -5.385 -6.139 1.00 0.00 C ATOM 686 O GLY A 606 -5.132 -4.961 -5.158 1.00 0.00 O ATOM 0 H GLY A 606 -4.032 -3.096 -7.491 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.942 -5.357 -7.737 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -4.274 -5.465 -8.263 1.00 0.00 H new ATOM 690 N THR A 607 -3.479 -6.209 -6.045 1.00 0.00 N ATOM 691 CA THR A 607 -2.981 -6.674 -4.754 1.00 0.00 C ATOM 692 C THR A 607 -1.476 -6.458 -4.627 1.00 0.00 C ATOM 693 O THR A 607 -0.850 -6.943 -3.684 1.00 0.00 O ATOM 694 CB THR A 607 -3.286 -8.168 -4.539 1.00 0.00 C ATOM 695 OG1 THR A 607 -3.734 -8.760 -5.765 1.00 0.00 O ATOM 696 CG2 THR A 607 -4.345 -8.357 -3.464 1.00 0.00 C ATOM 0 H THR A 607 -2.964 -6.568 -6.849 1.00 0.00 H new ATOM 0 HA THR A 607 -3.495 -6.087 -3.993 1.00 0.00 H new ATOM 0 HB THR A 607 -2.368 -8.658 -4.213 1.00 0.00 H new ATOM 0 HG1 THR A 607 -3.924 -9.710 -5.619 1.00 0.00 H new ATOM 0 HG21 THR A 607 -4.543 -9.421 -3.331 1.00 0.00 H new ATOM 0 HG22 THR A 607 -3.989 -7.934 -2.525 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.263 -7.852 -3.765 1.00 0.00 H new ATOM 704 N THR A 608 -0.900 -5.733 -5.580 1.00 0.00 N ATOM 705 CA THR A 608 0.533 -5.460 -5.569 1.00 0.00 C ATOM 706 C THR A 608 0.828 -4.026 -5.991 1.00 0.00 C ATOM 707 O THR A 608 0.202 -3.499 -6.910 1.00 0.00 O ATOM 708 CB THR A 608 1.296 -6.423 -6.497 1.00 0.00 C ATOM 709 OG1 THR A 608 0.494 -6.742 -7.640 1.00 0.00 O ATOM 710 CG2 THR A 608 1.670 -7.702 -5.762 1.00 0.00 C ATOM 0 H THR A 608 -1.402 -5.324 -6.368 1.00 0.00 H new ATOM 0 HA THR A 608 0.872 -5.609 -4.544 1.00 0.00 H new ATOM 0 HB THR A 608 2.211 -5.928 -6.822 1.00 0.00 H new ATOM 0 HG1 THR A 608 0.988 -7.353 -8.226 1.00 0.00 H new ATOM 0 HG21 THR A 608 2.208 -8.366 -6.438 1.00 0.00 H new ATOM 0 HG22 THR A 608 2.305 -7.460 -4.910 1.00 0.00 H new ATOM 0 HG23 THR A 608 0.765 -8.198 -5.411 1.00 0.00 H new ATOM 718 N ALA A 609 1.790 -3.403 -5.315 1.00 0.00 N ATOM 719 CA ALA A 609 2.179 -2.029 -5.615 1.00 0.00 C ATOM 720 C ALA A 609 3.663 -1.947 -5.958 1.00 0.00 C ATOM 721 O ALA A 609 4.473 -2.715 -5.439 1.00 0.00 O ATOM 722 CB ALA A 609 1.859 -1.124 -4.436 1.00 0.00 C ATOM 0 H ALA A 609 2.316 -3.831 -4.553 1.00 0.00 H new ATOM 0 HA ALA A 609 1.610 -1.693 -6.482 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.154 -0.101 -4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 609 0.788 -1.155 -4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.405 -1.465 -3.557 1.00 0.00 H new ATOM 728 N THR A 610 4.014 -1.012 -6.836 1.00 0.00 N ATOM 729 CA THR A 610 5.402 -0.834 -7.248 1.00 0.00 C ATOM 730 C THR A 610 5.888 0.580 -6.957 1.00 0.00 C ATOM 731 O THR A 610 5.474 1.537 -7.614 1.00 0.00 O ATOM 732 CB THR A 610 5.585 -1.130 -8.746 1.00 0.00 C ATOM 733 OG1 THR A 610 4.776 -2.250 -9.128 1.00 0.00 O ATOM 734 CG2 THR A 610 7.044 -1.421 -9.067 1.00 0.00 C ATOM 0 H THR A 610 3.357 -0.367 -7.275 1.00 0.00 H new ATOM 0 HA THR A 610 5.995 -1.543 -6.670 1.00 0.00 H new ATOM 0 HB THR A 610 5.274 -0.249 -9.307 1.00 0.00 H new ATOM 0 HG1 THR A 610 4.897 -2.430 -10.084 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.148 -1.627 -10.132 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.654 -0.557 -8.803 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.376 -2.288 -8.495 1.00 0.00 H new ATOM 742 N ILE A 611 6.770 0.706 -5.971 1.00 0.00 N ATOM 743 CA ILE A 611 7.316 2.005 -5.595 1.00 0.00 C ATOM 744 C ILE A 611 8.728 2.187 -6.144 1.00 0.00 C ATOM 745 O ILE A 611 9.603 1.349 -5.924 1.00 0.00 O ATOM 746 CB ILE A 611 7.337 2.183 -4.063 1.00 0.00 C ATOM 747 CG1 ILE A 611 5.916 2.119 -3.502 1.00 0.00 C ATOM 748 CG2 ILE A 611 7.999 3.500 -3.685 1.00 0.00 C ATOM 749 CD1 ILE A 611 5.681 0.948 -2.573 1.00 0.00 C ATOM 0 H ILE A 611 7.122 -0.075 -5.418 1.00 0.00 H new ATOM 0 HA ILE A 611 6.664 2.763 -6.029 1.00 0.00 H new ATOM 0 HB ILE A 611 7.920 1.370 -3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 611 5.704 3.044 -2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.210 2.062 -4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 611 8.004 3.607 -2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 611 9.024 3.511 -4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.444 4.327 -4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 611 4.652 0.969 -2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 611 5.860 0.016 -3.110 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.362 1.014 -1.724 1.00 0.00 H new ATOM 761 N SER A 612 8.941 3.288 -6.858 1.00 0.00 N ATOM 762 CA SER A 612 10.245 3.587 -7.441 1.00 0.00 C ATOM 763 C SER A 612 10.842 4.846 -6.820 1.00 0.00 C ATOM 764 O SER A 612 10.141 5.614 -6.160 1.00 0.00 O ATOM 765 CB SER A 612 10.120 3.761 -8.955 1.00 0.00 C ATOM 766 OG SER A 612 8.765 3.911 -9.342 1.00 0.00 O ATOM 0 H SER A 612 8.225 3.990 -7.047 1.00 0.00 H new ATOM 0 HA SER A 612 10.911 2.750 -7.232 1.00 0.00 H new ATOM 0 HB2 SER A 612 10.691 4.634 -9.272 1.00 0.00 H new ATOM 0 HB3 SER A 612 10.552 2.897 -9.460 1.00 0.00 H new ATOM 0 HG SER A 612 8.713 4.022 -10.314 1.00 0.00 H new ATOM 772 N GLY A 613 12.138 5.051 -7.033 1.00 0.00 N ATOM 773 CA GLY A 613 12.806 6.218 -6.486 1.00 0.00 C ATOM 774 C GLY A 613 13.268 6.005 -5.058 1.00 0.00 C ATOM 775 O GLY A 613 13.036 6.848 -4.191 1.00 0.00 O ATOM 0 H GLY A 613 12.738 4.429 -7.575 1.00 0.00 H new ATOM 0 HA2 GLY A 613 13.665 6.467 -7.109 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.128 7.071 -6.522 1.00 0.00 H new ATOM 779 N LEU A 614 13.924 4.874 -4.813 1.00 0.00 N ATOM 780 CA LEU A 614 14.421 4.548 -3.480 1.00 0.00 C ATOM 781 C LEU A 614 15.939 4.390 -3.488 1.00 0.00 C ATOM 782 O LEU A 614 16.529 4.033 -4.508 1.00 0.00 O ATOM 783 CB LEU A 614 13.764 3.266 -2.964 1.00 0.00 C ATOM 784 CG LEU A 614 12.241 3.230 -3.067 1.00 0.00 C ATOM 785 CD1 LEU A 614 11.733 1.798 -3.000 1.00 0.00 C ATOM 786 CD2 LEU A 614 11.628 4.066 -1.962 1.00 0.00 C ATOM 0 H LEU A 614 14.124 4.167 -5.521 1.00 0.00 H new ATOM 0 HA LEU A 614 14.163 5.371 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 614 14.170 2.420 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 614 14.045 3.127 -1.920 1.00 0.00 H new ATOM 0 HG LEU A 614 11.945 3.649 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 614 10.646 1.794 -3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 614 12.156 1.223 -3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 614 12.033 1.349 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 614 10.541 4.035 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 614 11.932 3.668 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 614 11.969 5.097 -2.054 1.00 0.00 H new ATOM 798 N ALA A 615 16.562 4.660 -2.345 1.00 0.00 N ATOM 799 CA ALA A 615 18.011 4.549 -2.217 1.00 0.00 C ATOM 800 C ALA A 615 18.393 3.493 -1.185 1.00 0.00 C ATOM 801 O ALA A 615 17.641 3.228 -0.247 1.00 0.00 O ATOM 802 CB ALA A 615 18.611 5.896 -1.842 1.00 0.00 C ATOM 0 H ALA A 615 16.086 4.957 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 615 18.413 4.238 -3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 615 19.693 5.799 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 615 18.377 6.627 -2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 615 18.194 6.228 -0.891 1.00 0.00 H new ATOM 808 N ALA A 616 19.566 2.894 -1.364 1.00 0.00 N ATOM 809 CA ALA A 616 20.049 1.865 -0.449 1.00 0.00 C ATOM 810 C ALA A 616 20.601 2.480 0.832 1.00 0.00 C ATOM 811 O ALA A 616 20.694 3.701 0.957 1.00 0.00 O ATOM 812 CB ALA A 616 21.114 1.015 -1.125 1.00 0.00 C ATOM 0 H ALA A 616 20.200 3.103 -2.135 1.00 0.00 H new ATOM 0 HA ALA A 616 19.204 1.230 -0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.465 0.252 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 616 20.691 0.536 -2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 616 21.950 1.648 -1.422 1.00 0.00 H new ATOM 818 N ASP A 617 20.971 1.620 1.778 1.00 0.00 N ATOM 819 CA ASP A 617 21.521 2.065 3.055 1.00 0.00 C ATOM 820 C ASP A 617 20.557 3.009 3.771 1.00 0.00 C ATOM 821 O ASP A 617 20.971 3.838 4.582 1.00 0.00 O ATOM 822 CB ASP A 617 22.870 2.755 2.840 1.00 0.00 C ATOM 823 CG ASP A 617 23.802 2.588 4.024 1.00 0.00 C ATOM 824 OD1 ASP A 617 23.311 2.596 5.173 1.00 0.00 O ATOM 825 OD2 ASP A 617 25.022 2.447 3.802 1.00 0.00 O ATOM 0 H ASP A 617 20.899 0.607 1.683 1.00 0.00 H new ATOM 0 HA ASP A 617 21.666 1.186 3.683 1.00 0.00 H new ATOM 0 HB2 ASP A 617 23.345 2.348 1.947 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.706 3.817 2.657 1.00 0.00 H new ATOM 830 N THR A 618 19.270 2.876 3.467 1.00 0.00 N ATOM 831 CA THR A 618 18.247 3.712 4.082 1.00 0.00 C ATOM 832 C THR A 618 17.084 2.868 4.593 1.00 0.00 C ATOM 833 O THR A 618 16.911 1.721 4.182 1.00 0.00 O ATOM 834 CB THR A 618 17.708 4.762 3.091 1.00 0.00 C ATOM 835 OG1 THR A 618 18.707 5.073 2.113 1.00 0.00 O ATOM 836 CG2 THR A 618 17.294 6.032 3.820 1.00 0.00 C ATOM 0 H THR A 618 18.911 2.196 2.797 1.00 0.00 H new ATOM 0 HA THR A 618 18.718 4.224 4.921 1.00 0.00 H new ATOM 0 HB THR A 618 16.832 4.344 2.595 1.00 0.00 H new ATOM 0 HG1 THR A 618 18.991 4.250 1.662 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.917 6.758 3.100 1.00 0.00 H new ATOM 0 HG22 THR A 618 16.512 5.798 4.543 1.00 0.00 H new ATOM 0 HG23 THR A 618 18.156 6.450 4.340 1.00 0.00 H new ATOM 844 N SER A 619 16.289 3.444 5.489 1.00 0.00 N ATOM 845 CA SER A 619 15.140 2.746 6.056 1.00 0.00 C ATOM 846 C SER A 619 13.852 3.518 5.791 1.00 0.00 C ATOM 847 O SER A 619 13.813 4.742 5.921 1.00 0.00 O ATOM 848 CB SER A 619 15.327 2.546 7.562 1.00 0.00 C ATOM 849 OG SER A 619 14.218 1.868 8.126 1.00 0.00 O ATOM 0 H SER A 619 16.419 4.393 5.839 1.00 0.00 H new ATOM 0 HA SER A 619 15.066 1.771 5.575 1.00 0.00 H new ATOM 0 HB2 SER A 619 16.238 1.977 7.746 1.00 0.00 H new ATOM 0 HB3 SER A 619 15.452 3.514 8.048 1.00 0.00 H new ATOM 0 HG SER A 619 14.361 1.750 9.088 1.00 0.00 H new ATOM 855 N TYR A 620 12.799 2.798 5.416 1.00 0.00 N ATOM 856 CA TYR A 620 11.512 3.420 5.130 1.00 0.00 C ATOM 857 C TYR A 620 10.361 2.638 5.758 1.00 0.00 C ATOM 858 O TYR A 620 10.554 1.544 6.288 1.00 0.00 O ATOM 859 CB TYR A 620 11.296 3.527 3.624 1.00 0.00 C ATOM 860 CG TYR A 620 12.424 4.216 2.887 1.00 0.00 C ATOM 861 CD1 TYR A 620 12.694 5.562 3.094 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.219 3.519 1.987 1.00 0.00 C ATOM 863 CE1 TYR A 620 13.723 6.196 2.425 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.252 4.145 1.313 1.00 0.00 C ATOM 865 CZ TYR A 620 14.497 5.481 1.529 1.00 0.00 C ATOM 866 OH TYR A 620 15.525 6.112 0.866 1.00 0.00 O ATOM 0 H TYR A 620 12.812 1.784 5.303 1.00 0.00 H new ATOM 0 HA TYR A 620 11.527 4.419 5.567 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.166 2.525 3.214 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.369 4.070 3.438 1.00 0.00 H new ATOM 0 HD1 TYR A 620 12.089 6.123 3.790 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.028 2.471 1.810 1.00 0.00 H new ATOM 0 HE1 TYR A 620 13.922 7.243 2.600 1.00 0.00 H new ATOM 0 HE2 TYR A 620 14.864 3.587 0.620 1.00 0.00 H new ATOM 0 HH TYR A 620 16.116 5.441 0.465 1.00 0.00 H new ATOM 876 N THR A 621 9.164 3.212 5.682 1.00 0.00 N ATOM 877 CA THR A 621 7.966 2.583 6.226 1.00 0.00 C ATOM 878 C THR A 621 6.789 2.788 5.277 1.00 0.00 C ATOM 879 O THR A 621 6.308 3.909 5.105 1.00 0.00 O ATOM 880 CB THR A 621 7.603 3.154 7.611 1.00 0.00 C ATOM 881 OG1 THR A 621 8.296 4.389 7.832 1.00 0.00 O ATOM 882 CG2 THR A 621 7.956 2.165 8.714 1.00 0.00 C ATOM 0 H THR A 621 8.998 4.119 5.245 1.00 0.00 H new ATOM 0 HA THR A 621 8.177 1.519 6.336 1.00 0.00 H new ATOM 0 HB THR A 621 6.528 3.333 7.634 1.00 0.00 H new ATOM 0 HG1 THR A 621 8.058 4.745 8.714 1.00 0.00 H new ATOM 0 HG21 THR A 621 7.691 2.590 9.682 1.00 0.00 H new ATOM 0 HG22 THR A 621 7.404 1.237 8.561 1.00 0.00 H new ATOM 0 HG23 THR A 621 9.026 1.959 8.689 1.00 0.00 H new ATOM 890 N PHE A 622 6.343 1.706 4.646 1.00 0.00 N ATOM 891 CA PHE A 622 5.238 1.783 3.697 1.00 0.00 C ATOM 892 C PHE A 622 3.917 1.347 4.323 1.00 0.00 C ATOM 893 O PHE A 622 3.888 0.736 5.390 1.00 0.00 O ATOM 894 CB PHE A 622 5.531 0.917 2.471 1.00 0.00 C ATOM 895 CG PHE A 622 6.770 1.323 1.727 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.792 2.485 0.973 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.913 0.541 1.781 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.932 2.858 0.285 1.00 0.00 C ATOM 899 CE2 PHE A 622 9.054 0.911 1.096 1.00 0.00 C ATOM 900 CZ PHE A 622 9.064 2.071 0.347 1.00 0.00 C ATOM 0 H PHE A 622 6.728 0.770 4.774 1.00 0.00 H new ATOM 0 HA PHE A 622 5.142 2.827 3.398 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.631 -0.122 2.786 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.679 0.963 1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.910 3.106 0.922 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.912 -0.367 2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.937 3.765 -0.301 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.938 0.293 1.146 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.955 2.362 -0.189 1.00 0.00 H new ATOM 910 N THR A 623 2.829 1.667 3.629 1.00 0.00 N ATOM 911 CA THR A 623 1.485 1.322 4.074 1.00 0.00 C ATOM 912 C THR A 623 0.523 1.353 2.891 1.00 0.00 C ATOM 913 O THR A 623 0.755 2.071 1.922 1.00 0.00 O ATOM 914 CB THR A 623 0.981 2.294 5.158 1.00 0.00 C ATOM 915 OG1 THR A 623 1.558 3.590 4.963 1.00 0.00 O ATOM 916 CG2 THR A 623 1.329 1.784 6.548 1.00 0.00 C ATOM 0 H THR A 623 2.855 2.172 2.743 1.00 0.00 H new ATOM 0 HA THR A 623 1.525 0.320 4.500 1.00 0.00 H new ATOM 0 HB THR A 623 -0.104 2.363 5.074 1.00 0.00 H new ATOM 0 HG1 THR A 623 1.231 4.201 5.655 1.00 0.00 H new ATOM 0 HG21 THR A 623 0.963 2.487 7.296 1.00 0.00 H new ATOM 0 HG22 THR A 623 0.863 0.811 6.706 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.411 1.687 6.640 1.00 0.00 H new ATOM 924 N VAL A 624 -0.551 0.574 2.966 1.00 0.00 N ATOM 925 CA VAL A 624 -1.526 0.532 1.881 1.00 0.00 C ATOM 926 C VAL A 624 -2.900 0.992 2.352 1.00 0.00 C ATOM 927 O VAL A 624 -3.254 0.833 3.519 1.00 0.00 O ATOM 928 CB VAL A 624 -1.645 -0.877 1.267 1.00 0.00 C ATOM 929 CG1 VAL A 624 -0.818 -0.969 -0.006 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.217 -1.942 2.266 1.00 0.00 C ATOM 0 H VAL A 624 -0.768 -0.031 3.758 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.162 1.216 1.114 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.690 -1.055 1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -0.911 -1.969 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -1.178 -0.235 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 624 0.228 -0.769 0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.310 -2.927 1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.180 -1.773 2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -1.854 -1.890 3.149 1.00 0.00 H new ATOM 940 N LYS A 625 -3.665 1.574 1.434 1.00 0.00 N ATOM 941 CA LYS A 625 -4.998 2.071 1.751 1.00 0.00 C ATOM 942 C LYS A 625 -5.998 1.690 0.665 1.00 0.00 C ATOM 943 O LYS A 625 -5.640 1.558 -0.505 1.00 0.00 O ATOM 944 CB LYS A 625 -4.958 3.586 1.919 1.00 0.00 C ATOM 945 CG LYS A 625 -4.706 4.018 3.351 1.00 0.00 C ATOM 946 CD LYS A 625 -5.833 4.892 3.863 1.00 0.00 C ATOM 947 CE LYS A 625 -5.454 5.590 5.157 1.00 0.00 C ATOM 948 NZ LYS A 625 -5.794 7.040 5.127 1.00 0.00 N ATOM 0 H LYS A 625 -3.384 1.713 0.463 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.323 1.612 2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.177 3.996 1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -5.903 4.009 1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.606 3.139 3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -3.764 4.563 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.089 5.636 3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -6.722 4.283 4.024 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -5.970 5.114 5.991 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -4.385 5.471 5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -5.519 7.480 6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -5.283 7.500 4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -6.818 7.154 4.984 1.00 0.00 H new ATOM 962 N ALA A 626 -7.256 1.516 1.061 1.00 0.00 N ATOM 963 CA ALA A 626 -8.310 1.150 0.122 1.00 0.00 C ATOM 964 C ALA A 626 -9.228 2.332 -0.165 1.00 0.00 C ATOM 965 O ALA A 626 -9.727 2.982 0.756 1.00 0.00 O ATOM 966 CB ALA A 626 -9.114 -0.024 0.661 1.00 0.00 C ATOM 0 H ALA A 626 -7.569 1.623 2.026 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.838 0.855 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -9.897 -0.286 -0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.455 -0.880 0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.567 0.252 1.613 1.00 0.00 H new ATOM 972 N LYS A 627 -9.448 2.605 -1.448 1.00 0.00 N ATOM 973 CA LYS A 627 -10.309 3.707 -1.861 1.00 0.00 C ATOM 974 C LYS A 627 -11.369 3.228 -2.847 1.00 0.00 C ATOM 975 O LYS A 627 -11.101 2.379 -3.697 1.00 0.00 O ATOM 976 CB LYS A 627 -9.479 4.827 -2.494 1.00 0.00 C ATOM 977 CG LYS A 627 -8.325 4.326 -3.347 1.00 0.00 C ATOM 978 CD LYS A 627 -7.710 5.451 -4.164 1.00 0.00 C ATOM 979 CE LYS A 627 -8.234 5.452 -5.591 1.00 0.00 C ATOM 980 NZ LYS A 627 -8.092 4.118 -6.237 1.00 0.00 N ATOM 0 H LYS A 627 -9.041 2.077 -2.220 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.809 4.094 -0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -10.131 5.447 -3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -9.084 5.466 -1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -7.563 3.881 -2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -8.678 3.540 -4.015 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -7.932 6.408 -3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -6.625 5.345 -4.173 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -9.284 5.746 -5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -7.694 6.197 -6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -8.166 4.222 -7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -7.165 3.712 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -8.845 3.486 -5.898 1.00 0.00 H new ATOM 994 N ASP A 628 -12.571 3.781 -2.728 1.00 0.00 N ATOM 995 CA ASP A 628 -13.672 3.414 -3.610 1.00 0.00 C ATOM 996 C ASP A 628 -13.915 4.506 -4.648 1.00 0.00 C ATOM 997 O ASP A 628 -13.356 5.599 -4.554 1.00 0.00 O ATOM 998 CB ASP A 628 -14.943 3.158 -2.793 1.00 0.00 C ATOM 999 CG ASP A 628 -15.938 4.300 -2.880 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -15.634 5.391 -2.354 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -17.019 4.103 -3.473 1.00 0.00 O ATOM 0 H ASP A 628 -12.807 4.485 -2.029 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.405 2.497 -4.135 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -15.417 2.242 -3.145 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -14.672 2.997 -1.750 1.00 0.00 H new ATOM 1006 N ALA A 629 -14.747 4.202 -5.638 1.00 0.00 N ATOM 1007 CA ALA A 629 -15.060 5.159 -6.693 1.00 0.00 C ATOM 1008 C ALA A 629 -16.202 6.080 -6.277 1.00 0.00 C ATOM 1009 O ALA A 629 -17.157 6.281 -7.029 1.00 0.00 O ATOM 1010 CB ALA A 629 -15.404 4.427 -7.982 1.00 0.00 C ATOM 0 H ALA A 629 -15.216 3.301 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 629 -14.179 5.777 -6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -15.636 5.153 -8.762 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -14.554 3.819 -8.293 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -16.269 3.784 -7.816 1.00 0.00 H new ATOM 1016 N ALA A 630 -16.095 6.640 -5.076 1.00 0.00 N ATOM 1017 CA ALA A 630 -17.117 7.542 -4.558 1.00 0.00 C ATOM 1018 C ALA A 630 -16.561 8.416 -3.438 1.00 0.00 C ATOM 1019 O ALA A 630 -17.289 9.204 -2.834 1.00 0.00 O ATOM 1020 CB ALA A 630 -18.319 6.751 -4.066 1.00 0.00 C ATOM 0 H ALA A 630 -15.310 6.485 -4.443 1.00 0.00 H new ATOM 0 HA ALA A 630 -17.435 8.196 -5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.074 7.437 -3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -18.738 6.175 -4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -18.008 6.073 -3.272 1.00 0.00 H new ATOM 1026 N GLY A 631 -15.268 8.271 -3.166 1.00 0.00 N ATOM 1027 CA GLY A 631 -14.636 9.055 -2.119 1.00 0.00 C ATOM 1028 C GLY A 631 -14.801 8.430 -0.748 1.00 0.00 C ATOM 1029 O GLY A 631 -15.405 9.025 0.144 1.00 0.00 O ATOM 0 H GLY A 631 -14.646 7.625 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -13.574 9.163 -2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -15.063 10.058 -2.112 1.00 0.00 H new ATOM 1033 N ASN A 632 -14.263 7.227 -0.582 1.00 0.00 N ATOM 1034 CA ASN A 632 -14.350 6.517 0.690 1.00 0.00 C ATOM 1035 C ASN A 632 -13.087 5.700 0.937 1.00 0.00 C ATOM 1036 O ASN A 632 -12.866 4.671 0.296 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.578 5.605 0.706 1.00 0.00 C ATOM 1038 CG ASN A 632 -16.877 6.386 0.758 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -17.338 6.913 -0.255 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -17.474 6.466 1.941 1.00 0.00 N ATOM 0 H ASN A 632 -13.761 6.722 -1.313 1.00 0.00 H new ATOM 0 HA ASN A 632 -14.447 7.254 1.488 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.571 4.975 -0.184 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -15.522 4.940 1.568 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -18.350 6.980 2.036 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -17.057 6.014 2.754 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.257 6.166 1.866 1.00 0.00 N ATOM 1048 CA VAL A 633 -11.013 5.478 2.193 1.00 0.00 C ATOM 1049 C VAL A 633 -10.992 5.030 3.651 1.00 0.00 C ATOM 1050 O VAL A 633 -11.404 5.770 4.545 1.00 0.00 O ATOM 1051 CB VAL A 633 -9.789 6.374 1.924 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -9.663 6.675 0.439 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -9.882 7.657 2.727 1.00 0.00 C ATOM 0 H VAL A 633 -12.423 7.016 2.405 1.00 0.00 H new ATOM 0 HA VAL A 633 -10.962 4.600 1.549 1.00 0.00 H new ATOM 0 HB VAL A 633 -8.894 5.838 2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -8.793 7.309 0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -9.546 5.742 -0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -10.560 7.190 0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -9.009 8.277 2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -10.785 8.198 2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -9.919 7.419 3.790 1.00 0.00 H new ATOM 1063 N SER A 634 -10.507 3.815 3.881 1.00 0.00 N ATOM 1064 CA SER A 634 -10.426 3.265 5.230 1.00 0.00 C ATOM 1065 C SER A 634 -9.109 3.654 5.893 1.00 0.00 C ATOM 1066 O SER A 634 -8.392 4.525 5.402 1.00 0.00 O ATOM 1067 CB SER A 634 -10.564 1.743 5.191 1.00 0.00 C ATOM 1068 OG SER A 634 -11.438 1.283 6.207 1.00 0.00 O ATOM 0 H SER A 634 -10.164 3.191 3.151 1.00 0.00 H new ATOM 0 HA SER A 634 -11.245 3.680 5.818 1.00 0.00 H new ATOM 0 HB2 SER A 634 -10.941 1.434 4.216 1.00 0.00 H new ATOM 0 HB3 SER A 634 -9.584 1.283 5.315 1.00 0.00 H new ATOM 0 HG SER A 634 -12.230 0.876 5.798 1.00 0.00 H new ATOM 1074 N ALA A 635 -8.792 3.004 7.010 1.00 0.00 N ATOM 1075 CA ALA A 635 -7.557 3.286 7.732 1.00 0.00 C ATOM 1076 C ALA A 635 -6.350 2.731 6.982 1.00 0.00 C ATOM 1077 O ALA A 635 -6.499 1.996 6.006 1.00 0.00 O ATOM 1078 CB ALA A 635 -7.622 2.706 9.137 1.00 0.00 C ATOM 0 H ALA A 635 -9.373 2.280 7.433 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.443 4.368 7.805 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -6.693 2.924 9.664 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -8.458 3.151 9.676 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -7.761 1.626 9.079 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.155 3.084 7.442 1.00 0.00 N ATOM 1085 CA ALA A 636 -3.928 2.615 6.809 1.00 0.00 C ATOM 1086 C ALA A 636 -3.558 1.223 7.311 1.00 0.00 C ATOM 1087 O ALA A 636 -3.678 0.930 8.501 1.00 0.00 O ATOM 1088 CB ALA A 636 -2.791 3.593 7.064 1.00 0.00 C ATOM 0 H ALA A 636 -5.010 3.691 8.248 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.099 2.555 5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -1.883 3.228 6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.051 4.569 6.653 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -2.623 3.684 8.137 1.00 0.00 H new ATOM 1094 N SER A 637 -3.113 0.369 6.395 1.00 0.00 N ATOM 1095 CA SER A 637 -2.728 -0.995 6.741 1.00 0.00 C ATOM 1096 C SER A 637 -1.537 -1.008 7.693 1.00 0.00 C ATOM 1097 O SER A 637 -1.021 0.044 8.072 1.00 0.00 O ATOM 1098 CB SER A 637 -2.390 -1.784 5.482 1.00 0.00 C ATOM 1099 OG SER A 637 -2.704 -3.157 5.636 1.00 0.00 O ATOM 0 H SER A 637 -3.010 0.598 5.406 1.00 0.00 H new ATOM 0 HA SER A 637 -3.574 -1.463 7.244 1.00 0.00 H new ATOM 0 HB2 SER A 637 -2.941 -1.375 4.635 1.00 0.00 H new ATOM 0 HB3 SER A 637 -1.330 -1.674 5.255 1.00 0.00 H new ATOM 0 HG SER A 637 -3.513 -3.248 6.181 1.00 0.00 H new ATOM 1105 N ASN A 638 -1.106 -2.207 8.073 1.00 0.00 N ATOM 1106 CA ASN A 638 0.026 -2.363 8.976 1.00 0.00 C ATOM 1107 C ASN A 638 1.272 -1.705 8.396 1.00 0.00 C ATOM 1108 O ASN A 638 1.448 -1.657 7.178 1.00 0.00 O ATOM 1109 CB ASN A 638 0.295 -3.846 9.240 1.00 0.00 C ATOM 1110 CG ASN A 638 1.010 -4.083 10.556 1.00 0.00 C ATOM 1111 OD1 ASN A 638 0.740 -3.413 11.552 1.00 0.00 O ATOM 1112 ND2 ASN A 638 1.928 -5.043 10.566 1.00 0.00 N ATOM 0 H ASN A 638 -1.525 -3.085 7.768 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.220 -1.873 9.918 1.00 0.00 H new ATOM 0 HB2 ASN A 638 -0.650 -4.388 9.241 1.00 0.00 H new ATOM 0 HB3 ASN A 638 0.895 -4.253 8.426 1.00 0.00 H new ATOM 0 HD21 ASN A 638 2.441 -5.249 11.423 1.00 0.00 H new ATOM 0 HD22 ASN A 638 2.120 -5.574 9.717 1.00 0.00 H new ATOM 1119 N ALA A 639 2.131 -1.198 9.271 1.00 0.00 N ATOM 1120 CA ALA A 639 3.359 -0.541 8.839 1.00 0.00 C ATOM 1121 C ALA A 639 4.455 -1.561 8.561 1.00 0.00 C ATOM 1122 O ALA A 639 4.747 -2.418 9.395 1.00 0.00 O ATOM 1123 CB ALA A 639 3.818 0.464 9.885 1.00 0.00 C ATOM 0 H ALA A 639 2.001 -1.229 10.282 1.00 0.00 H new ATOM 0 HA ALA A 639 3.151 -0.008 7.911 1.00 0.00 H new ATOM 0 HB1 ALA A 639 4.736 0.946 9.548 1.00 0.00 H new ATOM 0 HB2 ALA A 639 3.044 1.218 10.030 1.00 0.00 H new ATOM 0 HB3 ALA A 639 4.004 -0.051 10.828 1.00 0.00 H new ATOM 1129 N VAL A 640 5.058 -1.463 7.380 1.00 0.00 N ATOM 1130 CA VAL A 640 6.121 -2.378 6.987 1.00 0.00 C ATOM 1131 C VAL A 640 7.471 -1.673 6.949 1.00 0.00 C ATOM 1132 O VAL A 640 7.692 -0.773 6.138 1.00 0.00 O ATOM 1133 CB VAL A 640 5.837 -3.004 5.607 1.00 0.00 C ATOM 1134 CG1 VAL A 640 4.771 -4.083 5.720 1.00 0.00 C ATOM 1135 CG2 VAL A 640 5.418 -1.933 4.609 1.00 0.00 C ATOM 0 H VAL A 640 4.828 -0.758 6.679 1.00 0.00 H new ATOM 0 HA VAL A 640 6.153 -3.168 7.737 1.00 0.00 H new ATOM 0 HB VAL A 640 6.754 -3.467 5.243 1.00 0.00 H new ATOM 0 HG11 VAL A 640 4.584 -4.514 4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 640 5.114 -4.864 6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 640 3.850 -3.646 6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 640 5.222 -2.394 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 640 4.514 -1.438 4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 640 6.217 -1.199 4.506 1.00 0.00 H new ATOM 1145 N SER A 641 8.375 -2.090 7.830 1.00 0.00 N ATOM 1146 CA SER A 641 9.705 -1.500 7.894 1.00 0.00 C ATOM 1147 C SER A 641 10.594 -2.080 6.799 1.00 0.00 C ATOM 1148 O SER A 641 11.108 -3.191 6.925 1.00 0.00 O ATOM 1149 CB SER A 641 10.333 -1.748 9.266 1.00 0.00 C ATOM 1150 OG SER A 641 9.480 -1.302 10.306 1.00 0.00 O ATOM 0 H SER A 641 8.210 -2.834 8.508 1.00 0.00 H new ATOM 0 HA SER A 641 9.614 -0.425 7.740 1.00 0.00 H new ATOM 0 HB2 SER A 641 10.536 -2.812 9.389 1.00 0.00 H new ATOM 0 HB3 SER A 641 11.290 -1.231 9.330 1.00 0.00 H new ATOM 0 HG SER A 641 9.904 -1.474 11.173 1.00 0.00 H new ATOM 1156 N VAL A 642 10.763 -1.321 5.723 1.00 0.00 N ATOM 1157 CA VAL A 642 11.578 -1.758 4.597 1.00 0.00 C ATOM 1158 C VAL A 642 12.968 -1.132 4.641 1.00 0.00 C ATOM 1159 O VAL A 642 13.129 0.064 4.400 1.00 0.00 O ATOM 1160 CB VAL A 642 10.900 -1.403 3.257 1.00 0.00 C ATOM 1161 CG1 VAL A 642 11.837 -1.661 2.085 1.00 0.00 C ATOM 1162 CG2 VAL A 642 9.607 -2.187 3.097 1.00 0.00 C ATOM 0 H VAL A 642 10.345 -0.398 5.607 1.00 0.00 H new ATOM 0 HA VAL A 642 11.678 -2.841 4.674 1.00 0.00 H new ATOM 0 HB VAL A 642 10.662 -0.339 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 642 11.334 -1.402 1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 642 12.734 -1.051 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 642 12.115 -2.715 2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 642 9.139 -1.927 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 642 9.825 -3.255 3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 642 8.929 -1.942 3.915 1.00 0.00 H new ATOM 1172 N LYS A 643 13.969 -1.953 4.945 1.00 0.00 N ATOM 1173 CA LYS A 643 15.348 -1.485 5.016 1.00 0.00 C ATOM 1174 C LYS A 643 16.058 -1.698 3.683 1.00 0.00 C ATOM 1175 O LYS A 643 16.582 -2.778 3.411 1.00 0.00 O ATOM 1176 CB LYS A 643 16.103 -2.217 6.129 1.00 0.00 C ATOM 1177 CG LYS A 643 16.711 -1.287 7.166 1.00 0.00 C ATOM 1178 CD LYS A 643 17.999 -0.657 6.661 1.00 0.00 C ATOM 1179 CE LYS A 643 19.202 -1.544 6.941 1.00 0.00 C ATOM 1180 NZ LYS A 643 20.180 -0.883 7.848 1.00 0.00 N ATOM 0 H LYS A 643 13.850 -2.946 5.146 1.00 0.00 H new ATOM 0 HA LYS A 643 15.334 -0.418 5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 643 15.421 -2.906 6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 643 16.895 -2.819 5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 643 15.996 -0.504 7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 643 16.911 -1.843 8.082 1.00 0.00 H new ATOM 0 HD2 LYS A 643 17.921 -0.477 5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 643 18.142 0.313 7.138 1.00 0.00 H new ATOM 0 HE2 LYS A 643 18.867 -2.480 7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 643 19.692 -1.798 6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 20.985 -1.520 8.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 20.520 -0.003 7.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 19.720 -0.664 8.754 1.00 0.00 H new ATOM 1194 N THR A 644 16.069 -0.659 2.854 1.00 0.00 N ATOM 1195 CA THR A 644 16.712 -0.730 1.547 1.00 0.00 C ATOM 1196 C THR A 644 18.221 -0.549 1.665 1.00 0.00 C ATOM 1197 O THR A 644 18.954 -1.157 0.855 1.00 0.00 O ATOM 1198 CB THR A 644 16.152 0.334 0.587 1.00 0.00 C ATOM 1199 OG1 THR A 644 16.121 1.611 1.233 1.00 0.00 O ATOM 1200 CG2 THR A 644 14.752 -0.039 0.123 1.00 0.00 C ATOM 1201 OXT THR A 644 18.657 0.201 2.562 1.00 0.00 O ATOM 0 H THR A 644 15.640 0.242 3.064 1.00 0.00 H new ATOM 0 HA THR A 644 16.499 -1.720 1.144 1.00 0.00 H new ATOM 0 HB THR A 644 16.805 0.384 -0.284 1.00 0.00 H new ATOM 0 HG1 THR A 644 16.444 2.299 0.614 1.00 0.00 H new ATOM 0 HG21 THR A 644 14.377 0.728 -0.555 1.00 0.00 H new ATOM 0 HG22 THR A 644 14.784 -0.997 -0.395 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.091 -0.115 0.986 1.00 0.00 H new