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 583 SER OG : rot -150:sc= 0.818 USER MOD Set 1.2: A 592 TYR OH : rot -134:sc= 1.36 USER MOD Set 2.1: A 572 THR OG1 : rot -40:sc= 1.91 USER MOD Set 2.2: A 574 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 575 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 568 SER OG : rot 105:sc= 1.08 USER MOD Set 3.2: A 571 GLN : amide:sc= -2.17! K(o=-1.1!,f=1.1) USER MOD Single : A 561 THR OG1 : rot 4:sc=-0.00624! USER MOD Single : A 564 THR OG1 : rot 180:sc= 0 USER MOD Single : A 565 ASN : amide:sc= -0.0227 K(o=-0.023,f=-0.59) USER MOD Single : A 569 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 573 THR OG1 : rot 180:sc= 0 USER MOD Single : A 577 THR OG1 : rot 68:sc= -0.103 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 581 THR OG1 : rot 89:sc= 0.26 USER MOD Single : A 584 THR OG1 : rot 180:sc= 0 USER MOD Single : A 586 ASN : amide:sc= -0.197 K(o=-0.2,f=-0.74) USER MOD Single : A 590 THR OG1 : rot 180:sc= 0 USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 596 ASN : amide:sc= -0.0247 X(o=-0.025,f=0.15) USER MOD Single : A 598 THR OG1 : rot -6:sc= 0.688 USER MOD Single : A 602 THR OG1 : rot 151:sc= 0.459 USER MOD Single : A 603 THR OG1 : rot 180:sc= 0 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 USER MOD Single : A 618 THR OG1 : rot 94:sc= 0.629 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 TYR OH : rot 30:sc= 0 USER MOD Single : A 621 THR OG1 : rot 180:sc= 0 USER MOD Single : A 623 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 625 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 627 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 632 ASN : amide:sc=-0.00326 K(o=-0.0033,f=-0.85) USER MOD Single : A 634 SER OG : rot 74:sc= 0.0182 USER MOD Single : A 637 SER OG : rot 107:sc= -0.277 USER MOD Single : A 638 ASN : amide:sc= 0.686 K(o=0.69,f=-5.1!) USER MOD Single : A 641 SER OG : rot 180:sc= 0 USER MOD Single : A 643 LYS NZ :NH3+ 152:sc= -0.278 (180deg=-1.37!) USER MOD Single : A 644 THR OG1 : rot 99:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 38 N ALA A 559 -17.375 3.377 4.304 1.00 0.00 N ATOM 39 CA ALA A 559 -16.072 3.248 3.662 1.00 0.00 C ATOM 40 C ALA A 559 -15.641 1.785 3.579 1.00 0.00 C ATOM 41 O ALA A 559 -16.080 0.957 4.375 1.00 0.00 O ATOM 42 CB ALA A 559 -15.033 4.064 4.418 1.00 0.00 C ATOM 0 HA ALA A 559 -16.154 3.632 2.645 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -14.064 3.961 3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -15.327 5.114 4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -14.963 3.703 5.444 1.00 0.00 H new ATOM 48 N PRO A 560 -14.769 1.445 2.609 1.00 0.00 N ATOM 49 CA PRO A 560 -14.282 0.072 2.433 1.00 0.00 C ATOM 50 C PRO A 560 -13.428 -0.392 3.607 1.00 0.00 C ATOM 51 O PRO A 560 -13.120 0.387 4.509 1.00 0.00 O ATOM 52 CB PRO A 560 -13.441 0.149 1.158 1.00 0.00 C ATOM 53 CG PRO A 560 -13.037 1.578 1.056 1.00 0.00 C ATOM 54 CD PRO A 560 -14.188 2.366 1.615 1.00 0.00 C ATOM 0 HA PRO A 560 -15.101 -0.645 2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.571 -0.505 1.218 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -14.015 -0.163 0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -12.123 1.768 1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.838 1.856 0.021 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -13.855 3.297 2.074 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.909 2.632 0.842 1.00 0.00 H new ATOM 62 N THR A 561 -13.047 -1.666 3.591 1.00 0.00 N ATOM 63 CA THR A 561 -12.229 -2.231 4.656 1.00 0.00 C ATOM 64 C THR A 561 -10.747 -1.973 4.404 1.00 0.00 C ATOM 65 O THR A 561 -10.227 -2.280 3.331 1.00 0.00 O ATOM 66 CB THR A 561 -12.458 -3.748 4.803 1.00 0.00 C ATOM 67 OG1 THR A 561 -11.588 -4.466 3.920 1.00 0.00 O ATOM 68 CG2 THR A 561 -13.904 -4.111 4.500 1.00 0.00 C ATOM 0 H THR A 561 -13.292 -2.325 2.852 1.00 0.00 H new ATOM 0 HA THR A 561 -12.531 -1.738 5.580 1.00 0.00 H new ATOM 0 HB THR A 561 -12.238 -4.025 5.834 1.00 0.00 H new ATOM 0 HG1 THR A 561 -10.997 -3.835 3.459 1.00 0.00 H new ATOM 0 HG21 THR A 561 -14.040 -5.187 4.611 1.00 0.00 H new ATOM 0 HG22 THR A 561 -14.563 -3.589 5.193 1.00 0.00 H new ATOM 0 HG23 THR A 561 -14.146 -3.818 3.479 1.00 0.00 H new ATOM 76 N ALA A 562 -10.074 -1.408 5.399 1.00 0.00 N ATOM 77 CA ALA A 562 -8.653 -1.108 5.287 1.00 0.00 C ATOM 78 C ALA A 562 -7.832 -2.389 5.129 1.00 0.00 C ATOM 79 O ALA A 562 -7.960 -3.313 5.932 1.00 0.00 O ATOM 80 CB ALA A 562 -8.185 -0.328 6.506 1.00 0.00 C ATOM 0 H ALA A 562 -10.490 -1.148 6.293 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.502 -0.498 4.396 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -7.121 -0.109 6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -8.743 0.606 6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.355 -0.921 7.405 1.00 0.00 H new ATOM 86 N PRO A 563 -6.977 -2.459 4.089 1.00 0.00 N ATOM 87 CA PRO A 563 -6.133 -3.633 3.835 1.00 0.00 C ATOM 88 C PRO A 563 -5.445 -4.127 5.101 1.00 0.00 C ATOM 89 O PRO A 563 -4.892 -3.337 5.867 1.00 0.00 O ATOM 90 CB PRO A 563 -5.103 -3.111 2.835 1.00 0.00 C ATOM 91 CG PRO A 563 -5.808 -2.025 2.100 1.00 0.00 C ATOM 92 CD PRO A 563 -6.762 -1.399 3.083 1.00 0.00 C ATOM 0 HA PRO A 563 -6.707 -4.485 3.471 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.214 -2.734 3.342 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.774 -3.899 2.158 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -5.100 -1.288 1.722 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -6.344 -2.423 1.238 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -6.340 -0.500 3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.696 -1.107 2.603 1.00 0.00 H new ATOM 100 N THR A 564 -5.491 -5.435 5.322 1.00 0.00 N ATOM 101 CA THR A 564 -4.880 -6.027 6.504 1.00 0.00 C ATOM 102 C THR A 564 -3.755 -6.986 6.135 1.00 0.00 C ATOM 103 O THR A 564 -3.751 -7.571 5.052 1.00 0.00 O ATOM 104 CB THR A 564 -5.920 -6.782 7.351 1.00 0.00 C ATOM 105 OG1 THR A 564 -6.325 -7.981 6.679 1.00 0.00 O ATOM 106 CG2 THR A 564 -7.137 -5.909 7.619 1.00 0.00 C ATOM 0 H THR A 564 -5.944 -6.104 4.700 1.00 0.00 H new ATOM 0 HA THR A 564 -4.468 -5.203 7.086 1.00 0.00 H new ATOM 0 HB THR A 564 -5.460 -7.039 8.305 1.00 0.00 H new ATOM 0 HG1 THR A 564 -6.985 -8.455 7.226 1.00 0.00 H new ATOM 0 HG21 THR A 564 -7.858 -6.464 8.219 1.00 0.00 H new ATOM 0 HG22 THR A 564 -6.830 -5.012 8.158 1.00 0.00 H new ATOM 0 HG23 THR A 564 -7.596 -5.624 6.672 1.00 0.00 H new ATOM 114 N ASN A 565 -2.808 -7.145 7.055 1.00 0.00 N ATOM 115 CA ASN A 565 -1.672 -8.039 6.854 1.00 0.00 C ATOM 116 C ASN A 565 -0.857 -7.651 5.623 1.00 0.00 C ATOM 117 O ASN A 565 -0.948 -8.297 4.578 1.00 0.00 O ATOM 118 CB ASN A 565 -2.153 -9.485 6.725 1.00 0.00 C ATOM 119 CG ASN A 565 -2.107 -10.232 8.043 1.00 0.00 C ATOM 120 OD1 ASN A 565 -2.193 -9.632 9.115 1.00 0.00 O ATOM 121 ND2 ASN A 565 -1.970 -11.551 7.969 1.00 0.00 N ATOM 0 H ASN A 565 -2.806 -6.662 7.954 1.00 0.00 H new ATOM 0 HA ASN A 565 -1.025 -7.948 7.726 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -3.174 -9.492 6.343 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -1.535 -10.006 5.994 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -1.932 -12.108 8.822 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -1.903 -12.006 7.059 1.00 0.00 H new ATOM 128 N LEU A 566 -0.042 -6.608 5.758 1.00 0.00 N ATOM 129 CA LEU A 566 0.805 -6.157 4.661 1.00 0.00 C ATOM 130 C LEU A 566 2.086 -6.983 4.628 1.00 0.00 C ATOM 131 O LEU A 566 2.431 -7.639 5.611 1.00 0.00 O ATOM 132 CB LEU A 566 1.139 -4.668 4.811 1.00 0.00 C ATOM 133 CG LEU A 566 2.183 -4.128 3.827 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.595 -4.002 2.429 1.00 0.00 C ATOM 135 CD2 LEU A 566 2.718 -2.788 4.302 1.00 0.00 C ATOM 0 H LEU A 566 0.049 -6.061 6.614 1.00 0.00 H new ATOM 0 HA LEU A 566 0.266 -6.293 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 566 0.221 -4.093 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 566 1.496 -4.493 5.826 1.00 0.00 H new ATOM 0 HG LEU A 566 3.010 -4.837 3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.354 -3.617 1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.262 -4.981 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.747 -3.318 2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 566 3.458 -2.419 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.898 -2.074 4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 566 3.183 -2.908 5.281 1.00 0.00 H new ATOM 147 N ALA A 567 2.788 -6.953 3.503 1.00 0.00 N ATOM 148 CA ALA A 567 4.026 -7.707 3.370 1.00 0.00 C ATOM 149 C ALA A 567 4.903 -7.156 2.253 1.00 0.00 C ATOM 150 O ALA A 567 4.457 -6.349 1.436 1.00 0.00 O ATOM 151 CB ALA A 567 3.725 -9.179 3.123 1.00 0.00 C ATOM 0 H ALA A 567 2.524 -6.419 2.675 1.00 0.00 H new ATOM 0 HA ALA A 567 4.576 -7.606 4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 567 4.660 -9.730 3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.154 -9.579 3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.145 -9.283 2.206 1.00 0.00 H new ATOM 157 N SER A 568 6.154 -7.604 2.226 1.00 0.00 N ATOM 158 CA SER A 568 7.108 -7.170 1.213 1.00 0.00 C ATOM 159 C SER A 568 7.769 -8.375 0.549 1.00 0.00 C ATOM 160 O SER A 568 8.151 -9.332 1.223 1.00 0.00 O ATOM 161 CB SER A 568 8.174 -6.269 1.840 1.00 0.00 C ATOM 162 OG SER A 568 9.032 -7.011 2.691 1.00 0.00 O ATOM 0 H SER A 568 6.532 -8.271 2.899 1.00 0.00 H new ATOM 0 HA SER A 568 6.569 -6.605 0.453 1.00 0.00 H new ATOM 0 HB2 SER A 568 8.760 -5.792 1.054 1.00 0.00 H new ATOM 0 HB3 SER A 568 7.693 -5.472 2.408 1.00 0.00 H new ATOM 0 HG SER A 568 9.897 -7.142 2.250 1.00 0.00 H new ATOM 168 N THR A 569 7.893 -8.328 -0.773 1.00 0.00 N ATOM 169 CA THR A 569 8.501 -9.424 -1.520 1.00 0.00 C ATOM 170 C THR A 569 9.838 -9.011 -2.131 1.00 0.00 C ATOM 171 O THR A 569 10.892 -9.198 -1.524 1.00 0.00 O ATOM 172 CB THR A 569 7.567 -9.925 -2.637 1.00 0.00 C ATOM 173 OG1 THR A 569 6.923 -8.814 -3.274 1.00 0.00 O ATOM 174 CG2 THR A 569 6.516 -10.874 -2.080 1.00 0.00 C ATOM 0 H THR A 569 7.582 -7.545 -1.348 1.00 0.00 H new ATOM 0 HA THR A 569 8.672 -10.232 -0.808 1.00 0.00 H new ATOM 0 HB THR A 569 8.170 -10.464 -3.368 1.00 0.00 H new ATOM 0 HG1 THR A 569 6.332 -9.141 -3.984 1.00 0.00 H new ATOM 0 HG21 THR A 569 5.868 -11.214 -2.888 1.00 0.00 H new ATOM 0 HG22 THR A 569 7.007 -11.733 -1.622 1.00 0.00 H new ATOM 0 HG23 THR A 569 5.919 -10.356 -1.330 1.00 0.00 H new ATOM 182 N ALA A 570 9.788 -8.455 -3.339 1.00 0.00 N ATOM 183 CA ALA A 570 10.995 -8.023 -4.035 1.00 0.00 C ATOM 184 C ALA A 570 11.341 -6.575 -3.705 1.00 0.00 C ATOM 185 O ALA A 570 10.659 -5.649 -4.143 1.00 0.00 O ATOM 186 CB ALA A 570 10.826 -8.198 -5.536 1.00 0.00 C ATOM 0 H ALA A 570 8.924 -8.293 -3.856 1.00 0.00 H new ATOM 0 HA ALA A 570 11.821 -8.648 -3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.733 -7.872 -6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 570 10.641 -9.248 -5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.983 -7.599 -5.879 1.00 0.00 H new ATOM 192 N GLN A 571 12.408 -6.389 -2.934 1.00 0.00 N ATOM 193 CA GLN A 571 12.849 -5.053 -2.547 1.00 0.00 C ATOM 194 C GLN A 571 14.267 -4.786 -3.040 1.00 0.00 C ATOM 195 O GLN A 571 15.241 -5.208 -2.414 1.00 0.00 O ATOM 196 CB GLN A 571 12.789 -4.890 -1.027 1.00 0.00 C ATOM 197 CG GLN A 571 11.605 -5.592 -0.383 1.00 0.00 C ATOM 198 CD GLN A 571 11.987 -6.910 0.266 1.00 0.00 C ATOM 199 OE1 GLN A 571 11.435 -7.288 1.299 1.00 0.00 O ATOM 200 NE2 GLN A 571 12.939 -7.614 -0.337 1.00 0.00 N ATOM 0 H GLN A 571 12.983 -7.146 -2.565 1.00 0.00 H new ATOM 0 HA GLN A 571 12.177 -4.330 -3.009 1.00 0.00 H new ATOM 0 HB2 GLN A 571 13.710 -5.278 -0.592 1.00 0.00 H new ATOM 0 HB3 GLN A 571 12.745 -3.828 -0.786 1.00 0.00 H new ATOM 0 HG2 GLN A 571 11.164 -4.937 0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 571 10.840 -5.772 -1.138 1.00 0.00 H new ATOM 0 HE21 GLN A 571 13.369 -7.262 -1.192 1.00 0.00 H new ATOM 0 HE22 GLN A 571 13.239 -8.506 0.055 1.00 0.00 H new ATOM 209 N THR A 572 14.379 -4.081 -4.161 1.00 0.00 N ATOM 210 CA THR A 572 15.682 -3.759 -4.729 1.00 0.00 C ATOM 211 C THR A 572 16.240 -2.475 -4.117 1.00 0.00 C ATOM 212 O THR A 572 15.922 -2.137 -2.976 1.00 0.00 O ATOM 213 CB THR A 572 15.607 -3.611 -6.262 1.00 0.00 C ATOM 214 OG1 THR A 572 14.885 -2.425 -6.608 1.00 0.00 O ATOM 215 CG2 THR A 572 14.933 -4.822 -6.890 1.00 0.00 C ATOM 0 H THR A 572 13.585 -3.723 -4.692 1.00 0.00 H new ATOM 0 HA THR A 572 16.350 -4.587 -4.493 1.00 0.00 H new ATOM 0 HB THR A 572 16.624 -3.540 -6.646 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.116 -2.324 -6.009 1.00 0.00 H new ATOM 0 HG21 THR A 572 14.891 -4.695 -7.972 1.00 0.00 H new ATOM 0 HG22 THR A 572 15.503 -5.720 -6.652 1.00 0.00 H new ATOM 0 HG23 THR A 572 13.921 -4.920 -6.497 1.00 0.00 H new ATOM 223 N THR A 573 17.077 -1.765 -4.869 1.00 0.00 N ATOM 224 CA THR A 573 17.676 -0.526 -4.380 1.00 0.00 C ATOM 225 C THR A 573 16.974 0.703 -4.950 1.00 0.00 C ATOM 226 O THR A 573 17.217 1.825 -4.505 1.00 0.00 O ATOM 227 CB THR A 573 19.173 -0.450 -4.730 1.00 0.00 C ATOM 228 OG1 THR A 573 19.339 -0.266 -6.141 1.00 0.00 O ATOM 229 CG2 THR A 573 19.898 -1.712 -4.291 1.00 0.00 C ATOM 0 H THR A 573 17.355 -2.025 -5.815 1.00 0.00 H new ATOM 0 HA THR A 573 17.558 -0.534 -3.296 1.00 0.00 H new ATOM 0 HB THR A 573 19.603 0.400 -4.200 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.294 -0.217 -6.354 1.00 0.00 H new ATOM 0 HG21 THR A 573 20.954 -1.634 -4.550 1.00 0.00 H new ATOM 0 HG22 THR A 573 19.796 -1.833 -3.213 1.00 0.00 H new ATOM 0 HG23 THR A 573 19.464 -2.575 -4.796 1.00 0.00 H new ATOM 237 N SER A 574 16.112 0.491 -5.938 1.00 0.00 N ATOM 238 CA SER A 574 15.387 1.594 -6.564 1.00 0.00 C ATOM 239 C SER A 574 13.880 1.356 -6.540 1.00 0.00 C ATOM 240 O SER A 574 13.098 2.301 -6.423 1.00 0.00 O ATOM 241 CB SER A 574 15.860 1.786 -8.006 1.00 0.00 C ATOM 242 OG SER A 574 15.674 0.605 -8.765 1.00 0.00 O ATOM 0 H SER A 574 15.898 -0.429 -6.322 1.00 0.00 H new ATOM 0 HA SER A 574 15.596 2.497 -5.991 1.00 0.00 H new ATOM 0 HB2 SER A 574 15.311 2.608 -8.466 1.00 0.00 H new ATOM 0 HB3 SER A 574 16.914 2.064 -8.012 1.00 0.00 H new ATOM 0 HG SER A 574 15.982 0.754 -9.683 1.00 0.00 H new ATOM 248 N SER A 575 13.479 0.095 -6.656 1.00 0.00 N ATOM 249 CA SER A 575 12.063 -0.258 -6.654 1.00 0.00 C ATOM 250 C SER A 575 11.748 -1.267 -5.553 1.00 0.00 C ATOM 251 O SER A 575 12.636 -1.962 -5.058 1.00 0.00 O ATOM 252 CB SER A 575 11.659 -0.828 -8.015 1.00 0.00 C ATOM 253 OG SER A 575 12.422 -0.248 -9.057 1.00 0.00 O ATOM 0 H SER A 575 14.112 -0.699 -6.752 1.00 0.00 H new ATOM 0 HA SER A 575 11.490 0.649 -6.460 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.799 -1.909 -8.016 1.00 0.00 H new ATOM 0 HB3 SER A 575 10.599 -0.643 -8.190 1.00 0.00 H new ATOM 0 HG SER A 575 12.146 -0.630 -9.916 1.00 0.00 H new ATOM 259 N ILE A 576 10.474 -1.342 -5.176 1.00 0.00 N ATOM 260 CA ILE A 576 10.034 -2.265 -4.136 1.00 0.00 C ATOM 261 C ILE A 576 8.670 -2.862 -4.472 1.00 0.00 C ATOM 262 O ILE A 576 7.857 -2.235 -5.152 1.00 0.00 O ATOM 263 CB ILE A 576 9.958 -1.570 -2.760 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.675 -2.597 -1.659 1.00 0.00 C ATOM 265 CG2 ILE A 576 8.890 -0.485 -2.773 1.00 0.00 C ATOM 266 CD1 ILE A 576 9.567 -1.995 -0.274 1.00 0.00 C ATOM 0 H ILE A 576 9.728 -0.773 -5.577 1.00 0.00 H new ATOM 0 HA ILE A 576 10.774 -3.064 -4.088 1.00 0.00 H new ATOM 0 HB ILE A 576 10.920 -1.101 -2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.747 -3.118 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.469 -3.344 -1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 576 8.848 -0.004 -1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.135 0.257 -3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 576 7.921 -0.931 -3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.366 -2.784 0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 576 10.503 -1.498 -0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 576 8.754 -1.269 -0.255 1.00 0.00 H new ATOM 278 N THR A 577 8.424 -4.075 -3.985 1.00 0.00 N ATOM 279 CA THR A 577 7.157 -4.756 -4.227 1.00 0.00 C ATOM 280 C THR A 577 6.432 -5.036 -2.916 1.00 0.00 C ATOM 281 O THR A 577 7.003 -5.609 -1.988 1.00 0.00 O ATOM 282 CB THR A 577 7.365 -6.083 -4.981 1.00 0.00 C ATOM 283 OG1 THR A 577 8.308 -5.899 -6.044 1.00 0.00 O ATOM 284 CG2 THR A 577 6.050 -6.594 -5.550 1.00 0.00 C ATOM 0 H THR A 577 9.086 -4.606 -3.420 1.00 0.00 H new ATOM 0 HA THR A 577 6.551 -4.092 -4.843 1.00 0.00 H new ATOM 0 HB THR A 577 7.749 -6.820 -4.275 1.00 0.00 H new ATOM 0 HG1 THR A 577 9.195 -5.722 -5.667 1.00 0.00 H new ATOM 0 HG21 THR A 577 6.222 -7.532 -6.078 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.342 -6.759 -4.738 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.642 -5.857 -6.242 1.00 0.00 H new ATOM 292 N LEU A 578 5.172 -4.621 -2.844 1.00 0.00 N ATOM 293 CA LEU A 578 4.368 -4.819 -1.644 1.00 0.00 C ATOM 294 C LEU A 578 3.113 -5.630 -1.945 1.00 0.00 C ATOM 295 O LEU A 578 2.448 -5.412 -2.958 1.00 0.00 O ATOM 296 CB LEU A 578 3.979 -3.463 -1.047 1.00 0.00 C ATOM 297 CG LEU A 578 4.391 -3.235 0.412 1.00 0.00 C ATOM 298 CD1 LEU A 578 5.829 -3.668 0.654 1.00 0.00 C ATOM 299 CD2 LEU A 578 4.210 -1.771 0.784 1.00 0.00 C ATOM 0 H LEU A 578 4.685 -4.145 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 578 4.968 -5.377 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 578 4.424 -2.677 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 578 2.897 -3.351 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 578 3.747 -3.846 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 578 6.091 -3.494 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 578 5.933 -4.729 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 578 6.495 -3.092 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 578 4.505 -1.620 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 578 4.831 -1.152 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 578 3.164 -1.491 0.660 1.00 0.00 H new ATOM 311 N SER A 579 2.792 -6.562 -1.054 1.00 0.00 N ATOM 312 CA SER A 579 1.612 -7.404 -1.211 1.00 0.00 C ATOM 313 C SER A 579 0.770 -7.377 0.061 1.00 0.00 C ATOM 314 O SER A 579 1.305 -7.259 1.164 1.00 0.00 O ATOM 315 CB SER A 579 2.020 -8.841 -1.541 1.00 0.00 C ATOM 316 OG SER A 579 0.887 -9.691 -1.608 1.00 0.00 O ATOM 0 H SER A 579 3.335 -6.754 -0.212 1.00 0.00 H new ATOM 0 HA SER A 579 1.016 -7.013 -2.036 1.00 0.00 H new ATOM 0 HB2 SER A 579 2.551 -8.862 -2.493 1.00 0.00 H new ATOM 0 HB3 SER A 579 2.711 -9.210 -0.782 1.00 0.00 H new ATOM 0 HG SER A 579 1.175 -10.603 -1.822 1.00 0.00 H new ATOM 322 N TRP A 580 -0.545 -7.475 -0.096 1.00 0.00 N ATOM 323 CA TRP A 580 -1.448 -7.448 1.049 1.00 0.00 C ATOM 324 C TRP A 580 -2.785 -8.100 0.716 1.00 0.00 C ATOM 325 O TRP A 580 -3.070 -8.404 -0.444 1.00 0.00 O ATOM 326 CB TRP A 580 -1.672 -6.005 1.502 1.00 0.00 C ATOM 327 CG TRP A 580 -2.241 -5.135 0.424 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.561 -4.868 0.197 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.509 -4.423 -0.579 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.694 -4.032 -0.886 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.448 -3.745 -1.380 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.150 -4.293 -0.879 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.069 -2.949 -2.460 1.00 0.00 C ATOM 334 CZ3 TRP A 580 0.224 -3.502 -1.950 1.00 0.00 C ATOM 335 CH2 TRP A 580 -0.733 -2.839 -2.729 1.00 0.00 C ATOM 0 H TRP A 580 -1.008 -7.573 -1.000 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.986 -8.016 1.857 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.345 -5.999 2.359 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.724 -5.584 1.838 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.381 -5.257 0.783 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.576 -3.682 -1.261 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.595 -4.801 -0.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -2.805 -2.437 -3.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.271 -3.394 -2.190 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.409 -2.229 -3.559 1.00 0.00 H new ATOM 346 N THR A 581 -3.603 -8.312 1.743 1.00 0.00 N ATOM 347 CA THR A 581 -4.913 -8.929 1.569 1.00 0.00 C ATOM 348 C THR A 581 -5.937 -7.918 1.061 1.00 0.00 C ATOM 349 O THR A 581 -6.130 -6.860 1.660 1.00 0.00 O ATOM 350 CB THR A 581 -5.424 -9.543 2.885 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.340 -10.158 3.591 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.509 -10.574 2.618 1.00 0.00 C ATOM 0 H THR A 581 -3.380 -8.064 2.707 1.00 0.00 H new ATOM 0 HA THR A 581 -4.792 -9.721 0.830 1.00 0.00 H new ATOM 0 HB THR A 581 -5.848 -8.743 3.492 1.00 0.00 H new ATOM 0 HG1 THR A 581 -3.914 -9.497 4.177 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.853 -10.993 3.563 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.345 -10.098 2.106 1.00 0.00 H new ATOM 0 HG23 THR A 581 -6.107 -11.371 1.993 1.00 0.00 H new ATOM 360 N ALA A 582 -6.587 -8.254 -0.050 1.00 0.00 N ATOM 361 CA ALA A 582 -7.590 -7.380 -0.646 1.00 0.00 C ATOM 362 C ALA A 582 -8.778 -7.181 0.288 1.00 0.00 C ATOM 363 O ALA A 582 -9.077 -8.038 1.121 1.00 0.00 O ATOM 364 CB ALA A 582 -8.057 -7.948 -1.979 1.00 0.00 C ATOM 0 H ALA A 582 -6.436 -9.127 -0.555 1.00 0.00 H new ATOM 0 HA ALA A 582 -7.130 -6.406 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -8.806 -7.286 -2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -7.208 -8.030 -2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -8.492 -8.935 -1.822 1.00 0.00 H new ATOM 370 N SER A 583 -9.453 -6.045 0.143 1.00 0.00 N ATOM 371 CA SER A 583 -10.611 -5.730 0.972 1.00 0.00 C ATOM 372 C SER A 583 -11.798 -6.618 0.605 1.00 0.00 C ATOM 373 O SER A 583 -11.766 -7.329 -0.400 1.00 0.00 O ATOM 374 CB SER A 583 -10.988 -4.255 0.812 1.00 0.00 C ATOM 375 OG SER A 583 -10.741 -3.805 -0.509 1.00 0.00 O ATOM 0 H SER A 583 -9.218 -5.327 -0.542 1.00 0.00 H new ATOM 0 HA SER A 583 -10.349 -5.919 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 583 -12.042 -4.117 1.055 1.00 0.00 H new ATOM 0 HB3 SER A 583 -10.417 -3.652 1.518 1.00 0.00 H new ATOM 0 HG SER A 583 -10.522 -2.850 -0.494 1.00 0.00 H new ATOM 381 N THR A 584 -12.844 -6.576 1.426 1.00 0.00 N ATOM 382 CA THR A 584 -14.038 -7.378 1.187 1.00 0.00 C ATOM 383 C THR A 584 -15.088 -6.584 0.420 1.00 0.00 C ATOM 384 O THR A 584 -16.000 -7.154 -0.180 1.00 0.00 O ATOM 385 CB THR A 584 -14.653 -7.882 2.505 1.00 0.00 C ATOM 386 OG1 THR A 584 -13.648 -7.947 3.523 1.00 0.00 O ATOM 387 CG2 THR A 584 -15.283 -9.254 2.319 1.00 0.00 C ATOM 0 H THR A 584 -12.888 -5.994 2.263 1.00 0.00 H new ATOM 0 HA THR A 584 -13.727 -8.236 0.591 1.00 0.00 H new ATOM 0 HB THR A 584 -15.430 -7.181 2.808 1.00 0.00 H new ATOM 0 HG1 THR A 584 -14.049 -8.267 4.358 1.00 0.00 H new ATOM 0 HG21 THR A 584 -15.711 -9.589 3.264 1.00 0.00 H new ATOM 0 HG22 THR A 584 -16.069 -9.195 1.566 1.00 0.00 H new ATOM 0 HG23 THR A 584 -14.522 -9.963 1.994 1.00 0.00 H new ATOM 395 N ASP A 585 -14.953 -5.262 0.444 1.00 0.00 N ATOM 396 CA ASP A 585 -15.887 -4.384 -0.249 1.00 0.00 C ATOM 397 C ASP A 585 -15.435 -4.139 -1.685 1.00 0.00 C ATOM 398 O ASP A 585 -15.573 -3.033 -2.209 1.00 0.00 O ATOM 399 CB ASP A 585 -16.017 -3.055 0.494 1.00 0.00 C ATOM 400 CG ASP A 585 -17.404 -2.455 0.372 1.00 0.00 C ATOM 401 OD1 ASP A 585 -17.937 -2.419 -0.756 1.00 0.00 O ATOM 402 OD2 ASP A 585 -17.956 -2.022 1.405 1.00 0.00 O ATOM 0 H ASP A 585 -14.204 -4.775 0.937 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.861 -4.873 -0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -15.782 -3.207 1.547 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -15.284 -2.350 0.102 1.00 0.00 H new ATOM 407 N ASN A 586 -14.893 -5.179 -2.314 1.00 0.00 N ATOM 408 CA ASN A 586 -14.414 -5.085 -3.690 1.00 0.00 C ATOM 409 C ASN A 586 -15.532 -4.661 -4.640 1.00 0.00 C ATOM 410 O ASN A 586 -15.279 -4.291 -5.786 1.00 0.00 O ATOM 411 CB ASN A 586 -13.830 -6.425 -4.137 1.00 0.00 C ATOM 412 CG ASN A 586 -13.236 -6.363 -5.532 1.00 0.00 C ATOM 413 OD1 ASN A 586 -13.942 -6.531 -6.527 1.00 0.00 O ATOM 414 ND2 ASN A 586 -11.933 -6.123 -5.610 1.00 0.00 N ATOM 0 H ASN A 586 -14.774 -6.099 -1.891 1.00 0.00 H new ATOM 0 HA ASN A 586 -13.635 -4.323 -3.722 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -13.060 -6.736 -3.431 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -14.611 -7.185 -4.112 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -11.478 -6.071 -6.521 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -11.387 -5.990 -4.759 1.00 0.00 H new ATOM 421 N VAL A 587 -16.769 -4.715 -4.156 1.00 0.00 N ATOM 422 CA VAL A 587 -17.925 -4.335 -4.964 1.00 0.00 C ATOM 423 C VAL A 587 -18.008 -2.819 -5.124 1.00 0.00 C ATOM 424 O VAL A 587 -18.951 -2.300 -5.723 1.00 0.00 O ATOM 425 CB VAL A 587 -19.243 -4.844 -4.345 1.00 0.00 C ATOM 426 CG1 VAL A 587 -20.286 -5.078 -5.427 1.00 0.00 C ATOM 427 CG2 VAL A 587 -19.008 -6.115 -3.541 1.00 0.00 C ATOM 0 H VAL A 587 -16.998 -5.018 -3.209 1.00 0.00 H new ATOM 0 HA VAL A 587 -17.790 -4.798 -5.941 1.00 0.00 H new ATOM 0 HB VAL A 587 -19.618 -4.078 -3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -21.209 -5.437 -4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -20.481 -4.143 -5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -19.917 -5.822 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -19.951 -6.455 -3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -18.605 -6.889 -4.194 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -18.299 -5.912 -2.738 1.00 0.00 H new ATOM 437 N GLY A 588 -17.016 -2.115 -4.588 1.00 0.00 N ATOM 438 CA GLY A 588 -16.996 -0.667 -4.684 1.00 0.00 C ATOM 439 C GLY A 588 -15.594 -0.116 -4.861 1.00 0.00 C ATOM 440 O GLY A 588 -15.415 0.977 -5.397 1.00 0.00 O ATOM 0 H GLY A 588 -16.225 -2.522 -4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.615 -0.353 -5.525 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.440 -0.240 -3.785 1.00 0.00 H new ATOM 444 N VAL A 589 -14.600 -0.875 -4.410 1.00 0.00 N ATOM 445 CA VAL A 589 -13.206 -0.457 -4.522 1.00 0.00 C ATOM 446 C VAL A 589 -12.803 -0.279 -5.981 1.00 0.00 C ATOM 447 O VAL A 589 -13.260 -1.016 -6.855 1.00 0.00 O ATOM 448 CB VAL A 589 -12.257 -1.476 -3.863 1.00 0.00 C ATOM 449 CG1 VAL A 589 -10.861 -0.888 -3.714 1.00 0.00 C ATOM 450 CG2 VAL A 589 -12.800 -1.922 -2.513 1.00 0.00 C ATOM 0 H VAL A 589 -14.733 -1.782 -3.964 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.120 0.497 -4.002 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.192 -2.351 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.205 -1.622 -3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.470 -0.626 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -10.907 0.006 -3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.115 -2.641 -2.065 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -12.899 -1.057 -1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -13.776 -2.387 -2.649 1.00 0.00 H new ATOM 460 N THR A 590 -11.942 0.701 -6.238 1.00 0.00 N ATOM 461 CA THR A 590 -11.475 0.974 -7.592 1.00 0.00 C ATOM 462 C THR A 590 -9.952 0.944 -7.669 1.00 0.00 C ATOM 463 O THR A 590 -9.377 0.972 -8.756 1.00 0.00 O ATOM 464 CB THR A 590 -11.974 2.341 -8.094 1.00 0.00 C ATOM 465 OG1 THR A 590 -11.767 3.340 -7.088 1.00 0.00 O ATOM 466 CG2 THR A 590 -13.450 2.280 -8.457 1.00 0.00 C ATOM 0 H THR A 590 -11.554 1.319 -5.526 1.00 0.00 H new ATOM 0 HA THR A 590 -11.883 0.189 -8.228 1.00 0.00 H new ATOM 0 HB THR A 590 -11.407 2.602 -8.987 1.00 0.00 H new ATOM 0 HG1 THR A 590 -12.086 4.206 -7.417 1.00 0.00 H new ATOM 0 HG21 THR A 590 -13.779 3.258 -8.809 1.00 0.00 H new ATOM 0 HG22 THR A 590 -13.601 1.541 -9.244 1.00 0.00 H new ATOM 0 HG23 THR A 590 -14.029 1.997 -7.578 1.00 0.00 H new ATOM 474 N GLY A 591 -9.306 0.889 -6.507 1.00 0.00 N ATOM 475 CA GLY A 591 -7.855 0.858 -6.469 1.00 0.00 C ATOM 476 C GLY A 591 -7.307 1.039 -5.067 1.00 0.00 C ATOM 477 O GLY A 591 -8.058 1.324 -4.133 1.00 0.00 O ATOM 0 H GLY A 591 -9.760 0.865 -5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.504 -0.092 -6.873 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.461 1.643 -7.114 1.00 0.00 H new ATOM 481 N TYR A 592 -5.997 0.869 -4.918 1.00 0.00 N ATOM 482 CA TYR A 592 -5.351 1.012 -3.619 1.00 0.00 C ATOM 483 C TYR A 592 -4.220 2.034 -3.676 1.00 0.00 C ATOM 484 O TYR A 592 -3.395 2.013 -4.590 1.00 0.00 O ATOM 485 CB TYR A 592 -4.804 -0.335 -3.145 1.00 0.00 C ATOM 486 CG TYR A 592 -5.868 -1.389 -2.934 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.376 -2.113 -4.005 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.366 -1.657 -1.665 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.352 -3.074 -3.817 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.341 -2.616 -1.469 1.00 0.00 C ATOM 491 CZ TYR A 592 -7.819 -3.333 -2.543 1.00 0.00 C ATOM 492 OH TYR A 592 -8.802 -4.277 -2.357 1.00 0.00 O ATOM 0 H TYR A 592 -5.363 0.632 -5.681 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.101 1.365 -2.912 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.084 -0.701 -3.877 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.262 -0.188 -2.211 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -6.003 -1.922 -5.000 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -5.985 -1.107 -0.818 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -7.747 -3.619 -4.661 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -7.727 -2.803 -0.478 1.00 0.00 H new ATOM 0 HH TYR A 592 -9.492 -3.918 -1.761 1.00 0.00 H new ATOM 502 N ASP A 593 -4.180 2.921 -2.687 1.00 0.00 N ATOM 503 CA ASP A 593 -3.145 3.946 -2.615 1.00 0.00 C ATOM 504 C ASP A 593 -2.068 3.546 -1.613 1.00 0.00 C ATOM 505 O ASP A 593 -2.372 3.070 -0.519 1.00 0.00 O ATOM 506 CB ASP A 593 -3.758 5.291 -2.220 1.00 0.00 C ATOM 507 CG ASP A 593 -4.476 5.965 -3.374 1.00 0.00 C ATOM 508 OD1 ASP A 593 -4.444 5.415 -4.494 1.00 0.00 O ATOM 509 OD2 ASP A 593 -5.070 7.044 -3.157 1.00 0.00 O ATOM 0 H ASP A 593 -4.854 2.950 -1.922 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.686 4.044 -3.599 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -4.459 5.140 -1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -2.972 5.950 -1.851 1.00 0.00 H new ATOM 514 N VAL A 594 -0.806 3.733 -1.993 1.00 0.00 N ATOM 515 CA VAL A 594 0.310 3.377 -1.121 1.00 0.00 C ATOM 516 C VAL A 594 0.902 4.605 -0.437 1.00 0.00 C ATOM 517 O VAL A 594 1.127 5.637 -1.070 1.00 0.00 O ATOM 518 CB VAL A 594 1.418 2.646 -1.903 1.00 0.00 C ATOM 519 CG1 VAL A 594 2.616 2.360 -1.009 1.00 0.00 C ATOM 520 CG2 VAL A 594 0.877 1.358 -2.504 1.00 0.00 C ATOM 0 H VAL A 594 -0.532 4.127 -2.893 1.00 0.00 H new ATOM 0 HA VAL A 594 -0.089 2.709 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 594 1.751 3.295 -2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 594 3.384 1.843 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 594 3.018 3.299 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 594 2.305 1.733 -0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 594 1.670 0.852 -3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 594 0.516 0.708 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 594 0.056 1.590 -3.183 1.00 0.00 H new ATOM 530 N TYR A 595 1.158 4.478 0.862 1.00 0.00 N ATOM 531 CA TYR A 595 1.732 5.566 1.646 1.00 0.00 C ATOM 532 C TYR A 595 3.144 5.214 2.101 1.00 0.00 C ATOM 533 O TYR A 595 3.376 4.143 2.664 1.00 0.00 O ATOM 534 CB TYR A 595 0.858 5.862 2.866 1.00 0.00 C ATOM 535 CG TYR A 595 -0.445 6.561 2.538 1.00 0.00 C ATOM 536 CD1 TYR A 595 -0.456 7.870 2.072 1.00 0.00 C ATOM 537 CD2 TYR A 595 -1.663 5.913 2.705 1.00 0.00 C ATOM 538 CE1 TYR A 595 -1.644 8.514 1.782 1.00 0.00 C ATOM 539 CE2 TYR A 595 -2.855 6.551 2.413 1.00 0.00 C ATOM 540 CZ TYR A 595 -2.841 7.851 1.954 1.00 0.00 C ATOM 541 OH TYR A 595 -4.025 8.488 1.665 1.00 0.00 O ATOM 0 H TYR A 595 0.976 3.628 1.395 1.00 0.00 H new ATOM 0 HA TYR A 595 1.776 6.453 1.014 1.00 0.00 H new ATOM 0 HB2 TYR A 595 0.637 4.925 3.377 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.424 6.480 3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 595 0.479 8.393 1.934 1.00 0.00 H new ATOM 0 HD2 TYR A 595 -1.679 4.896 3.068 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -1.635 9.532 1.422 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -3.793 6.033 2.544 1.00 0.00 H new ATOM 0 HH TYR A 595 -4.774 7.881 1.840 1.00 0.00 H new ATOM 551 N ASN A 596 4.083 6.121 1.859 1.00 0.00 N ATOM 552 CA ASN A 596 5.473 5.908 2.248 1.00 0.00 C ATOM 553 C ASN A 596 5.951 7.019 3.176 1.00 0.00 C ATOM 554 O ASN A 596 6.158 8.154 2.746 1.00 0.00 O ATOM 555 CB ASN A 596 6.368 5.840 1.008 1.00 0.00 C ATOM 556 CG ASN A 596 7.842 5.940 1.352 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.302 5.363 2.338 1.00 0.00 O ATOM 558 ND2 ASN A 596 8.592 6.674 0.538 1.00 0.00 N ATOM 0 H ASN A 596 3.907 7.012 1.395 1.00 0.00 H new ATOM 0 HA ASN A 596 5.535 4.960 2.782 1.00 0.00 H new ATOM 0 HB2 ASN A 596 6.183 4.904 0.481 1.00 0.00 H new ATOM 0 HB3 ASN A 596 6.101 6.647 0.326 1.00 0.00 H new ATOM 0 HD21 ASN A 596 9.591 6.777 0.719 1.00 0.00 H new ATOM 0 HD22 ASN A 596 8.169 7.135 -0.268 1.00 0.00 H new ATOM 565 N GLY A 597 6.120 6.684 4.453 1.00 0.00 N ATOM 566 CA GLY A 597 6.567 7.666 5.423 1.00 0.00 C ATOM 567 C GLY A 597 5.641 8.864 5.497 1.00 0.00 C ATOM 568 O GLY A 597 6.061 9.995 5.248 1.00 0.00 O ATOM 0 H GLY A 597 5.955 5.751 4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.633 7.199 6.406 1.00 0.00 H new ATOM 0 HA3 GLY A 597 7.571 8.001 5.162 1.00 0.00 H new ATOM 572 N THR A 598 4.379 8.610 5.832 1.00 0.00 N ATOM 573 CA THR A 598 3.376 9.666 5.936 1.00 0.00 C ATOM 574 C THR A 598 3.328 10.513 4.667 1.00 0.00 C ATOM 575 O THR A 598 3.061 11.714 4.717 1.00 0.00 O ATOM 576 CB THR A 598 3.634 10.579 7.152 1.00 0.00 C ATOM 577 OG1 THR A 598 4.754 11.437 6.899 1.00 0.00 O ATOM 578 CG2 THR A 598 3.896 9.751 8.400 1.00 0.00 C ATOM 0 H THR A 598 4.025 7.676 6.037 1.00 0.00 H new ATOM 0 HA THR A 598 2.414 9.171 6.069 1.00 0.00 H new ATOM 0 HB THR A 598 2.744 11.187 7.315 1.00 0.00 H new ATOM 0 HG1 THR A 598 5.175 11.184 6.051 1.00 0.00 H new ATOM 0 HG21 THR A 598 4.076 10.415 9.246 1.00 0.00 H new ATOM 0 HG22 THR A 598 3.030 9.123 8.609 1.00 0.00 H new ATOM 0 HG23 THR A 598 4.771 9.121 8.241 1.00 0.00 H new ATOM 586 N ALA A 599 3.584 9.873 3.529 1.00 0.00 N ATOM 587 CA ALA A 599 3.567 10.558 2.240 1.00 0.00 C ATOM 588 C ALA A 599 3.346 9.571 1.099 1.00 0.00 C ATOM 589 O ALA A 599 4.208 8.741 0.810 1.00 0.00 O ATOM 590 CB ALA A 599 4.862 11.329 2.034 1.00 0.00 C ATOM 0 H ALA A 599 3.806 8.879 3.474 1.00 0.00 H new ATOM 0 HA ALA A 599 2.736 11.264 2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 599 4.835 11.835 1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 599 4.976 12.068 2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 599 5.705 10.638 2.058 1.00 0.00 H new ATOM 596 N LEU A 600 2.181 9.666 0.462 1.00 0.00 N ATOM 597 CA LEU A 600 1.826 8.783 -0.647 1.00 0.00 C ATOM 598 C LEU A 600 2.956 8.681 -1.669 1.00 0.00 C ATOM 599 O LEU A 600 3.769 9.596 -1.805 1.00 0.00 O ATOM 600 CB LEU A 600 0.552 9.283 -1.329 1.00 0.00 C ATOM 601 CG LEU A 600 -0.036 8.336 -2.376 1.00 0.00 C ATOM 602 CD1 LEU A 600 -1.439 7.905 -1.977 1.00 0.00 C ATOM 603 CD2 LEU A 600 -0.049 9.000 -3.744 1.00 0.00 C ATOM 0 H LEU A 600 1.462 10.351 0.697 1.00 0.00 H new ATOM 0 HA LEU A 600 1.654 7.788 -0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.202 9.468 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.765 10.240 -1.805 1.00 0.00 H new ATOM 0 HG LEU A 600 0.593 7.447 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -1.842 7.232 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -1.402 7.391 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 600 -2.080 8.783 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -0.470 8.313 -4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 600 -0.656 9.905 -3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 600 0.970 9.259 -4.032 1.00 0.00 H new ATOM 615 N ALA A 601 2.997 7.561 -2.387 1.00 0.00 N ATOM 616 CA ALA A 601 4.024 7.336 -3.396 1.00 0.00 C ATOM 617 C ALA A 601 3.423 6.777 -4.685 1.00 0.00 C ATOM 618 O ALA A 601 3.098 7.529 -5.603 1.00 0.00 O ATOM 619 CB ALA A 601 5.096 6.399 -2.858 1.00 0.00 C ATOM 0 H ALA A 601 2.330 6.796 -2.287 1.00 0.00 H new ATOM 0 HA ALA A 601 4.482 8.297 -3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.857 6.240 -3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 601 5.556 6.842 -1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 601 4.644 5.444 -2.591 1.00 0.00 H new ATOM 625 N THR A 602 3.286 5.455 -4.749 1.00 0.00 N ATOM 626 CA THR A 602 2.734 4.799 -5.930 1.00 0.00 C ATOM 627 C THR A 602 1.219 4.641 -5.836 1.00 0.00 C ATOM 628 O THR A 602 0.615 4.886 -4.789 1.00 0.00 O ATOM 629 CB THR A 602 3.369 3.415 -6.155 1.00 0.00 C ATOM 630 OG1 THR A 602 2.971 2.893 -7.429 1.00 0.00 O ATOM 631 CG2 THR A 602 2.960 2.444 -5.057 1.00 0.00 C ATOM 0 H THR A 602 3.550 4.818 -3.997 1.00 0.00 H new ATOM 0 HA THR A 602 2.970 5.445 -6.776 1.00 0.00 H new ATOM 0 HB THR A 602 4.452 3.532 -6.131 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.672 2.301 -7.774 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.422 1.474 -5.239 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.289 2.827 -4.091 1.00 0.00 H new ATOM 0 HG23 THR A 602 1.875 2.335 -5.053 1.00 0.00 H new ATOM 639 N THR A 603 0.617 4.219 -6.945 1.00 0.00 N ATOM 640 CA THR A 603 -0.823 4.010 -7.017 1.00 0.00 C ATOM 641 C THR A 603 -1.141 2.756 -7.826 1.00 0.00 C ATOM 642 O THR A 603 -0.725 2.630 -8.979 1.00 0.00 O ATOM 643 CB THR A 603 -1.531 5.220 -7.658 1.00 0.00 C ATOM 644 OG1 THR A 603 -1.188 6.419 -6.952 1.00 0.00 O ATOM 645 CG2 THR A 603 -3.042 5.037 -7.647 1.00 0.00 C ATOM 0 H THR A 603 1.112 4.014 -7.813 1.00 0.00 H new ATOM 0 HA THR A 603 -1.188 3.889 -5.997 1.00 0.00 H new ATOM 0 HB THR A 603 -1.199 5.297 -8.693 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.640 7.183 -7.366 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.517 5.905 -8.105 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.304 4.141 -8.209 1.00 0.00 H new ATOM 0 HG23 THR A 603 -3.389 4.934 -6.619 1.00 0.00 H new ATOM 653 N VAL A 604 -1.869 1.826 -7.217 1.00 0.00 N ATOM 654 CA VAL A 604 -2.227 0.580 -7.886 1.00 0.00 C ATOM 655 C VAL A 604 -3.726 0.315 -7.811 1.00 0.00 C ATOM 656 O VAL A 604 -4.502 1.181 -7.408 1.00 0.00 O ATOM 657 CB VAL A 604 -1.474 -0.616 -7.273 1.00 0.00 C ATOM 658 CG1 VAL A 604 0.007 -0.545 -7.613 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.682 -0.661 -5.766 1.00 0.00 C ATOM 0 H VAL A 604 -2.222 1.911 -6.264 1.00 0.00 H new ATOM 0 HA VAL A 604 -1.939 0.691 -8.931 1.00 0.00 H new ATOM 0 HB VAL A 604 -1.877 -1.534 -7.700 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.523 -1.398 -7.172 1.00 0.00 H new ATOM 0 HG12 VAL A 604 0.133 -0.565 -8.695 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.428 0.379 -7.216 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.143 -1.512 -5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.307 0.260 -5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -2.745 -0.763 -5.548 1.00 0.00 H new ATOM 669 N THR A 605 -4.126 -0.893 -8.203 1.00 0.00 N ATOM 670 CA THR A 605 -5.529 -1.284 -8.184 1.00 0.00 C ATOM 671 C THR A 605 -5.684 -2.739 -7.756 1.00 0.00 C ATOM 672 O THR A 605 -6.679 -3.113 -7.135 1.00 0.00 O ATOM 673 CB THR A 605 -6.186 -1.095 -9.564 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.352 -1.655 -10.585 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.428 0.379 -9.853 1.00 0.00 C ATOM 0 H THR A 605 -3.493 -1.619 -8.539 1.00 0.00 H new ATOM 0 HA THR A 605 -6.028 -0.637 -7.463 1.00 0.00 H new ATOM 0 HB THR A 605 -7.147 -1.610 -9.556 1.00 0.00 H new ATOM 0 HG1 THR A 605 -5.778 -1.532 -11.459 1.00 0.00 H new ATOM 0 HG21 THR A 605 -6.893 0.486 -10.833 1.00 0.00 H new ATOM 0 HG22 THR A 605 -7.087 0.796 -9.091 1.00 0.00 H new ATOM 0 HG23 THR A 605 -5.478 0.913 -9.842 1.00 0.00 H new ATOM 683 N GLY A 606 -4.691 -3.559 -8.093 1.00 0.00 N ATOM 684 CA GLY A 606 -4.733 -4.965 -7.737 1.00 0.00 C ATOM 685 C GLY A 606 -4.416 -5.201 -6.273 1.00 0.00 C ATOM 686 O GLY A 606 -5.054 -4.623 -5.393 1.00 0.00 O ATOM 0 H GLY A 606 -3.858 -3.273 -8.607 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.722 -5.364 -7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -4.021 -5.514 -8.353 1.00 0.00 H new ATOM 690 N THR A 607 -3.429 -6.052 -6.013 1.00 0.00 N ATOM 691 CA THR A 607 -3.027 -6.363 -4.646 1.00 0.00 C ATOM 692 C THR A 607 -1.551 -6.058 -4.424 1.00 0.00 C ATOM 693 O THR A 607 -1.080 -6.022 -3.287 1.00 0.00 O ATOM 694 CB THR A 607 -3.291 -7.842 -4.305 1.00 0.00 C ATOM 695 OG1 THR A 607 -2.814 -8.681 -5.364 1.00 0.00 O ATOM 696 CG2 THR A 607 -4.775 -8.090 -4.084 1.00 0.00 C ATOM 0 H THR A 607 -2.893 -6.539 -6.731 1.00 0.00 H new ATOM 0 HA THR A 607 -3.628 -5.734 -3.989 1.00 0.00 H new ATOM 0 HB THR A 607 -2.758 -8.081 -3.384 1.00 0.00 H new ATOM 0 HG1 THR A 607 -2.984 -9.620 -5.139 1.00 0.00 H new ATOM 0 HG21 THR A 607 -4.937 -9.141 -3.845 1.00 0.00 H new ATOM 0 HG22 THR A 607 -5.128 -7.471 -3.259 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.325 -7.835 -4.990 1.00 0.00 H new ATOM 704 N THR A 608 -0.825 -5.836 -5.515 1.00 0.00 N ATOM 705 CA THR A 608 0.600 -5.533 -5.439 1.00 0.00 C ATOM 706 C THR A 608 0.868 -4.072 -5.786 1.00 0.00 C ATOM 707 O THR A 608 0.080 -3.436 -6.486 1.00 0.00 O ATOM 708 CB THR A 608 1.420 -6.433 -6.382 1.00 0.00 C ATOM 709 OG1 THR A 608 1.093 -6.144 -7.746 1.00 0.00 O ATOM 710 CG2 THR A 608 1.152 -7.903 -6.094 1.00 0.00 C ATOM 0 H THR A 608 -1.200 -5.860 -6.463 1.00 0.00 H new ATOM 0 HA THR A 608 0.910 -5.724 -4.411 1.00 0.00 H new ATOM 0 HB THR A 608 2.477 -6.230 -6.212 1.00 0.00 H new ATOM 0 HG1 THR A 608 1.621 -6.720 -8.338 1.00 0.00 H new ATOM 0 HG21 THR A 608 1.742 -8.520 -6.772 1.00 0.00 H new ATOM 0 HG22 THR A 608 1.429 -8.128 -5.064 1.00 0.00 H new ATOM 0 HG23 THR A 608 0.093 -8.115 -6.239 1.00 0.00 H new ATOM 718 N ALA A 609 1.985 -3.546 -5.291 1.00 0.00 N ATOM 719 CA ALA A 609 2.359 -2.159 -5.548 1.00 0.00 C ATOM 720 C ALA A 609 3.855 -2.035 -5.814 1.00 0.00 C ATOM 721 O ALA A 609 4.661 -2.759 -5.230 1.00 0.00 O ATOM 722 CB ALA A 609 1.959 -1.281 -4.373 1.00 0.00 C ATOM 0 H ALA A 609 2.647 -4.060 -4.709 1.00 0.00 H new ATOM 0 HA ALA A 609 1.828 -1.824 -6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.243 -0.249 -4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 609 0.880 -1.338 -4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.466 -1.626 -3.472 1.00 0.00 H new ATOM 728 N THR A 610 4.220 -1.112 -6.700 1.00 0.00 N ATOM 729 CA THR A 610 5.619 -0.893 -7.042 1.00 0.00 C ATOM 730 C THR A 610 6.002 0.574 -6.884 1.00 0.00 C ATOM 731 O THR A 610 5.434 1.449 -7.539 1.00 0.00 O ATOM 732 CB THR A 610 5.922 -1.340 -8.484 1.00 0.00 C ATOM 733 OG1 THR A 610 5.198 -2.538 -8.790 1.00 0.00 O ATOM 734 CG2 THR A 610 7.413 -1.581 -8.673 1.00 0.00 C ATOM 0 H THR A 610 3.565 -0.505 -7.193 1.00 0.00 H new ATOM 0 HA THR A 610 6.210 -1.495 -6.352 1.00 0.00 H new ATOM 0 HB THR A 610 5.609 -0.545 -9.160 1.00 0.00 H new ATOM 0 HG1 THR A 610 5.396 -2.814 -9.709 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.603 -1.896 -9.699 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.959 -0.660 -8.469 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.746 -2.360 -7.987 1.00 0.00 H new ATOM 742 N ILE A 611 6.970 0.834 -6.011 1.00 0.00 N ATOM 743 CA ILE A 611 7.436 2.193 -5.762 1.00 0.00 C ATOM 744 C ILE A 611 8.787 2.436 -6.426 1.00 0.00 C ATOM 745 O ILE A 611 9.659 1.568 -6.413 1.00 0.00 O ATOM 746 CB ILE A 611 7.551 2.474 -4.248 1.00 0.00 C ATOM 747 CG1 ILE A 611 6.163 2.498 -3.607 1.00 0.00 C ATOM 748 CG2 ILE A 611 8.279 3.788 -3.995 1.00 0.00 C ATOM 749 CD1 ILE A 611 5.792 1.201 -2.920 1.00 0.00 C ATOM 0 H ILE A 611 7.448 0.119 -5.463 1.00 0.00 H new ATOM 0 HA ILE A 611 6.700 2.872 -6.192 1.00 0.00 H new ATOM 0 HB ILE A 611 8.132 1.672 -3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 611 6.121 3.310 -2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.421 2.719 -4.374 1.00 0.00 H new ATOM 0 HG21 ILE A 611 8.348 3.965 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 611 9.282 3.736 -4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.729 4.605 -4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 611 4.795 1.290 -2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 611 5.801 0.389 -3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.512 0.989 -2.130 1.00 0.00 H new ATOM 761 N SER A 612 8.953 3.620 -7.008 1.00 0.00 N ATOM 762 CA SER A 612 10.199 3.976 -7.678 1.00 0.00 C ATOM 763 C SER A 612 10.861 5.174 -7.002 1.00 0.00 C ATOM 764 O SER A 612 10.225 5.891 -6.230 1.00 0.00 O ATOM 765 CB SER A 612 9.936 4.287 -9.152 1.00 0.00 C ATOM 766 OG SER A 612 10.325 3.205 -9.980 1.00 0.00 O ATOM 0 H SER A 612 8.240 4.349 -7.029 1.00 0.00 H new ATOM 0 HA SER A 612 10.877 3.125 -7.607 1.00 0.00 H new ATOM 0 HB2 SER A 612 8.877 4.498 -9.299 1.00 0.00 H new ATOM 0 HB3 SER A 612 10.483 5.185 -9.441 1.00 0.00 H new ATOM 0 HG SER A 612 10.145 3.429 -10.917 1.00 0.00 H new ATOM 772 N GLY A 613 12.141 5.383 -7.298 1.00 0.00 N ATOM 773 CA GLY A 613 12.868 6.495 -6.712 1.00 0.00 C ATOM 774 C GLY A 613 13.347 6.198 -5.304 1.00 0.00 C ATOM 775 O GLY A 613 13.307 7.065 -4.431 1.00 0.00 O ATOM 0 H GLY A 613 12.688 4.802 -7.933 1.00 0.00 H new ATOM 0 HA2 GLY A 613 13.725 6.736 -7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.227 7.376 -6.696 1.00 0.00 H new ATOM 779 N LEU A 614 13.799 4.966 -5.084 1.00 0.00 N ATOM 780 CA LEU A 614 14.286 4.551 -3.774 1.00 0.00 C ATOM 781 C LEU A 614 15.807 4.663 -3.695 1.00 0.00 C ATOM 782 O LEU A 614 16.485 4.751 -4.719 1.00 0.00 O ATOM 783 CB LEU A 614 13.849 3.108 -3.484 1.00 0.00 C ATOM 784 CG LEU A 614 12.539 2.938 -2.694 1.00 0.00 C ATOM 785 CD1 LEU A 614 11.768 4.248 -2.589 1.00 0.00 C ATOM 786 CD2 LEU A 614 11.673 1.867 -3.338 1.00 0.00 C ATOM 0 H LEU A 614 13.838 4.238 -5.797 1.00 0.00 H new ATOM 0 HA LEU A 614 13.856 5.214 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 614 13.746 2.584 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 614 14.648 2.613 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 614 12.801 2.628 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 614 10.850 4.086 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 614 12.381 4.991 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 614 11.521 4.606 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 614 10.749 1.756 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 614 11.437 2.157 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 614 12.211 0.919 -3.344 1.00 0.00 H new ATOM 798 N ALA A 615 16.335 4.659 -2.474 1.00 0.00 N ATOM 799 CA ALA A 615 17.775 4.762 -2.259 1.00 0.00 C ATOM 800 C ALA A 615 18.282 3.605 -1.404 1.00 0.00 C ATOM 801 O ALA A 615 17.762 3.349 -0.319 1.00 0.00 O ATOM 802 CB ALA A 615 18.120 6.092 -1.606 1.00 0.00 C ATOM 0 H ALA A 615 15.786 4.585 -1.617 1.00 0.00 H new ATOM 0 HA ALA A 615 18.268 4.710 -3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 615 19.197 6.153 -1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 615 17.799 6.909 -2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 615 17.612 6.168 -0.645 1.00 0.00 H new ATOM 808 N ALA A 616 19.299 2.908 -1.902 1.00 0.00 N ATOM 809 CA ALA A 616 19.876 1.774 -1.188 1.00 0.00 C ATOM 810 C ALA A 616 20.409 2.189 0.181 1.00 0.00 C ATOM 811 O ALA A 616 20.669 3.367 0.426 1.00 0.00 O ATOM 812 CB ALA A 616 20.984 1.139 -2.015 1.00 0.00 C ATOM 0 H ALA A 616 19.741 3.109 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 616 19.085 1.041 -1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.406 0.294 -1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 616 20.576 0.792 -2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 616 21.765 1.876 -2.204 1.00 0.00 H new ATOM 818 N ASP A 617 20.573 1.205 1.064 1.00 0.00 N ATOM 819 CA ASP A 617 21.079 1.452 2.411 1.00 0.00 C ATOM 820 C ASP A 617 20.255 2.523 3.123 1.00 0.00 C ATOM 821 O ASP A 617 20.805 3.412 3.773 1.00 0.00 O ATOM 822 CB ASP A 617 22.549 1.874 2.354 1.00 0.00 C ATOM 823 CG ASP A 617 23.346 1.355 3.534 1.00 0.00 C ATOM 824 OD1 ASP A 617 23.542 0.125 3.624 1.00 0.00 O ATOM 825 OD2 ASP A 617 23.777 2.180 4.369 1.00 0.00 O ATOM 0 H ASP A 617 20.362 0.226 0.869 1.00 0.00 H new ATOM 0 HA ASP A 617 20.994 0.525 2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.994 1.507 1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.611 2.962 2.328 1.00 0.00 H new ATOM 830 N THR A 618 18.934 2.432 2.995 1.00 0.00 N ATOM 831 CA THR A 618 18.039 3.395 3.624 1.00 0.00 C ATOM 832 C THR A 618 16.798 2.713 4.192 1.00 0.00 C ATOM 833 O THR A 618 16.307 1.731 3.634 1.00 0.00 O ATOM 834 CB THR A 618 17.600 4.482 2.626 1.00 0.00 C ATOM 835 OG1 THR A 618 18.725 4.927 1.859 1.00 0.00 O ATOM 836 CG2 THR A 618 16.976 5.665 3.350 1.00 0.00 C ATOM 0 H THR A 618 18.462 1.702 2.462 1.00 0.00 H new ATOM 0 HA THR A 618 18.597 3.857 4.438 1.00 0.00 H new ATOM 0 HB THR A 618 16.853 4.049 1.960 1.00 0.00 H new ATOM 0 HG1 THR A 618 18.772 4.419 1.023 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.674 6.419 2.623 1.00 0.00 H new ATOM 0 HG22 THR A 618 16.102 5.330 3.909 1.00 0.00 H new ATOM 0 HG23 THR A 618 17.704 6.095 4.038 1.00 0.00 H new ATOM 844 N SER A 619 16.292 3.244 5.302 1.00 0.00 N ATOM 845 CA SER A 619 15.101 2.694 5.942 1.00 0.00 C ATOM 846 C SER A 619 13.841 3.301 5.335 1.00 0.00 C ATOM 847 O SER A 619 13.785 4.505 5.081 1.00 0.00 O ATOM 848 CB SER A 619 15.136 2.959 7.448 1.00 0.00 C ATOM 849 OG SER A 619 13.846 2.827 8.020 1.00 0.00 O ATOM 0 H SER A 619 16.689 4.055 5.777 1.00 0.00 H new ATOM 0 HA SER A 619 15.087 1.617 5.774 1.00 0.00 H new ATOM 0 HB2 SER A 619 15.823 2.261 7.927 1.00 0.00 H new ATOM 0 HB3 SER A 619 15.519 3.962 7.635 1.00 0.00 H new ATOM 0 HG SER A 619 13.896 3.000 8.983 1.00 0.00 H new ATOM 855 N TYR A 620 12.835 2.466 5.094 1.00 0.00 N ATOM 856 CA TYR A 620 11.587 2.937 4.506 1.00 0.00 C ATOM 857 C TYR A 620 10.368 2.273 5.138 1.00 0.00 C ATOM 858 O TYR A 620 10.302 1.049 5.256 1.00 0.00 O ATOM 859 CB TYR A 620 11.583 2.681 2.998 1.00 0.00 C ATOM 860 CG TYR A 620 12.444 3.645 2.213 1.00 0.00 C ATOM 861 CD1 TYR A 620 12.172 5.008 2.215 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.525 3.193 1.467 1.00 0.00 C ATOM 863 CE1 TYR A 620 12.955 5.892 1.497 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.313 4.072 0.746 1.00 0.00 C ATOM 865 CZ TYR A 620 14.023 5.420 0.765 1.00 0.00 C ATOM 866 OH TYR A 620 14.803 6.298 0.049 1.00 0.00 O ATOM 0 H TYR A 620 12.859 1.466 5.295 1.00 0.00 H new ATOM 0 HA TYR A 620 11.524 4.008 4.700 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.929 1.664 2.811 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.558 2.742 2.631 1.00 0.00 H new ATOM 0 HD1 TYR A 620 11.336 5.382 2.787 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.754 2.138 1.450 1.00 0.00 H new ATOM 0 HE1 TYR A 620 12.731 6.948 1.510 1.00 0.00 H new ATOM 0 HE2 TYR A 620 15.151 3.705 0.172 1.00 0.00 H new ATOM 0 HH TYR A 620 14.809 7.170 0.496 1.00 0.00 H new ATOM 876 N THR A 621 9.393 3.096 5.516 1.00 0.00 N ATOM 877 CA THR A 621 8.153 2.607 6.109 1.00 0.00 C ATOM 878 C THR A 621 7.024 2.724 5.094 1.00 0.00 C ATOM 879 O THR A 621 6.849 3.772 4.472 1.00 0.00 O ATOM 880 CB THR A 621 7.778 3.394 7.378 1.00 0.00 C ATOM 881 OG1 THR A 621 8.878 4.211 7.794 1.00 0.00 O ATOM 882 CG2 THR A 621 7.389 2.449 8.506 1.00 0.00 C ATOM 0 H THR A 621 9.440 4.110 5.421 1.00 0.00 H new ATOM 0 HA THR A 621 8.305 1.565 6.390 1.00 0.00 H new ATOM 0 HB THR A 621 6.923 4.029 7.144 1.00 0.00 H new ATOM 0 HG1 THR A 621 8.629 4.709 8.601 1.00 0.00 H new ATOM 0 HG21 THR A 621 7.128 3.028 9.392 1.00 0.00 H new ATOM 0 HG22 THR A 621 6.532 1.849 8.199 1.00 0.00 H new ATOM 0 HG23 THR A 621 8.228 1.792 8.736 1.00 0.00 H new ATOM 890 N PHE A 622 6.272 1.645 4.904 1.00 0.00 N ATOM 891 CA PHE A 622 5.185 1.653 3.932 1.00 0.00 C ATOM 892 C PHE A 622 3.842 1.297 4.555 1.00 0.00 C ATOM 893 O PHE A 622 3.768 0.806 5.682 1.00 0.00 O ATOM 894 CB PHE A 622 5.494 0.685 2.792 1.00 0.00 C ATOM 895 CG PHE A 622 6.650 1.120 1.938 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.478 2.071 0.947 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.910 0.572 2.126 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.541 2.468 0.156 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.976 0.966 1.340 1.00 0.00 C ATOM 900 CZ PHE A 622 8.789 1.934 0.362 1.00 0.00 C ATOM 0 H PHE A 622 6.393 0.764 5.403 1.00 0.00 H new ATOM 0 HA PHE A 622 5.108 2.670 3.548 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.710 -0.299 3.209 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.609 0.579 2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.503 2.508 0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 622 8.060 -0.171 2.895 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.389 3.199 -0.625 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.950 0.523 1.486 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.625 2.266 -0.236 1.00 0.00 H new ATOM 910 N THR A 623 2.786 1.550 3.790 1.00 0.00 N ATOM 911 CA THR A 623 1.422 1.269 4.212 1.00 0.00 C ATOM 912 C THR A 623 0.500 1.244 2.998 1.00 0.00 C ATOM 913 O THR A 623 0.845 1.777 1.944 1.00 0.00 O ATOM 914 CB THR A 623 0.910 2.322 5.213 1.00 0.00 C ATOM 915 OG1 THR A 623 1.630 3.550 5.045 1.00 0.00 O ATOM 916 CG2 THR A 623 1.065 1.831 6.645 1.00 0.00 C ATOM 0 H THR A 623 2.854 1.957 2.857 1.00 0.00 H new ATOM 0 HA THR A 623 1.422 0.297 4.705 1.00 0.00 H new ATOM 0 HB THR A 623 -0.149 2.491 5.016 1.00 0.00 H new ATOM 0 HG1 THR A 623 1.297 4.214 5.684 1.00 0.00 H new ATOM 0 HG21 THR A 623 0.696 2.592 7.333 1.00 0.00 H new ATOM 0 HG22 THR A 623 0.492 0.913 6.779 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.117 1.635 6.851 1.00 0.00 H new ATOM 924 N VAL A 624 -0.665 0.625 3.139 1.00 0.00 N ATOM 925 CA VAL A 624 -1.610 0.546 2.030 1.00 0.00 C ATOM 926 C VAL A 624 -2.996 1.021 2.441 1.00 0.00 C ATOM 927 O VAL A 624 -3.387 0.912 3.604 1.00 0.00 O ATOM 928 CB VAL A 624 -1.712 -0.883 1.463 1.00 0.00 C ATOM 929 CG1 VAL A 624 -0.863 -1.017 0.209 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.299 -1.911 2.505 1.00 0.00 C ATOM 0 H VAL A 624 -0.977 0.175 3.999 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.223 1.205 1.253 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.752 -1.073 1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -0.946 -2.032 -0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -1.212 -0.311 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 624 0.178 -0.805 0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.380 -2.912 2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.268 -1.727 2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -1.953 -1.831 3.374 1.00 0.00 H new ATOM 940 N LYS A 625 -3.733 1.553 1.471 1.00 0.00 N ATOM 941 CA LYS A 625 -5.078 2.056 1.712 1.00 0.00 C ATOM 942 C LYS A 625 -6.007 1.700 0.555 1.00 0.00 C ATOM 943 O LYS A 625 -5.572 1.594 -0.591 1.00 0.00 O ATOM 944 CB LYS A 625 -5.041 3.571 1.904 1.00 0.00 C ATOM 945 CG LYS A 625 -4.845 3.990 3.351 1.00 0.00 C ATOM 946 CD LYS A 625 -6.010 4.828 3.841 1.00 0.00 C ATOM 947 CE LYS A 625 -5.673 5.552 5.134 1.00 0.00 C ATOM 948 NZ LYS A 625 -6.422 6.833 5.267 1.00 0.00 N ATOM 0 H LYS A 625 -3.418 1.646 0.506 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.463 1.587 2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.234 3.987 1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -5.971 4.000 1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.741 3.104 3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -3.920 4.558 3.446 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.283 5.555 3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -6.879 4.189 3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -5.904 4.907 5.982 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -4.602 5.753 5.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -6.163 7.295 6.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -6.182 7.459 4.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -7.444 6.640 5.260 1.00 0.00 H new ATOM 962 N ALA A 626 -7.287 1.520 0.864 1.00 0.00 N ATOM 963 CA ALA A 626 -8.280 1.179 -0.150 1.00 0.00 C ATOM 964 C ALA A 626 -9.238 2.343 -0.381 1.00 0.00 C ATOM 965 O ALA A 626 -9.495 3.131 0.527 1.00 0.00 O ATOM 966 CB ALA A 626 -9.051 -0.067 0.261 1.00 0.00 C ATOM 0 H ALA A 626 -7.662 1.605 1.809 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.758 0.974 -1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -9.788 -0.308 -0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.359 -0.902 0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.559 0.115 1.208 1.00 0.00 H new ATOM 972 N LYS A 627 -9.763 2.449 -1.598 1.00 0.00 N ATOM 973 CA LYS A 627 -10.691 3.524 -1.937 1.00 0.00 C ATOM 974 C LYS A 627 -11.845 3.008 -2.792 1.00 0.00 C ATOM 975 O LYS A 627 -11.653 2.158 -3.662 1.00 0.00 O ATOM 976 CB LYS A 627 -9.966 4.653 -2.675 1.00 0.00 C ATOM 977 CG LYS A 627 -8.463 4.450 -2.793 1.00 0.00 C ATOM 978 CD LYS A 627 -7.876 5.286 -3.918 1.00 0.00 C ATOM 979 CE LYS A 627 -7.679 4.462 -5.180 1.00 0.00 C ATOM 980 NZ LYS A 627 -7.433 5.322 -6.370 1.00 0.00 N ATOM 0 H LYS A 627 -9.563 1.806 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 627 -11.098 3.913 -1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -10.389 4.750 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -10.156 5.593 -2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -7.983 4.717 -1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -8.250 3.396 -2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -8.536 6.127 -4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -6.920 5.703 -3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -6.838 3.783 -5.043 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -8.561 3.846 -5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -7.304 4.723 -7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -8.247 5.953 -6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -6.577 5.892 -6.216 1.00 0.00 H new ATOM 994 N ASP A 628 -13.041 3.531 -2.539 1.00 0.00 N ATOM 995 CA ASP A 628 -14.229 3.130 -3.286 1.00 0.00 C ATOM 996 C ASP A 628 -14.676 4.243 -4.229 1.00 0.00 C ATOM 997 O ASP A 628 -14.241 5.388 -4.102 1.00 0.00 O ATOM 998 CB ASP A 628 -15.367 2.772 -2.329 1.00 0.00 C ATOM 999 CG ASP A 628 -15.135 1.455 -1.615 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -14.073 0.836 -1.839 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -16.014 1.042 -0.830 1.00 0.00 O ATOM 0 H ASP A 628 -13.213 4.235 -1.821 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.974 2.251 -3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -15.480 3.566 -1.591 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -16.302 2.719 -2.886 1.00 0.00 H new ATOM 1006 N ALA A 629 -15.548 3.901 -5.174 1.00 0.00 N ATOM 1007 CA ALA A 629 -16.053 4.874 -6.134 1.00 0.00 C ATOM 1008 C ALA A 629 -17.294 5.580 -5.597 1.00 0.00 C ATOM 1009 O ALA A 629 -17.974 6.302 -6.326 1.00 0.00 O ATOM 1010 CB ALA A 629 -16.359 4.195 -7.462 1.00 0.00 C ATOM 0 H ALA A 629 -15.918 2.958 -5.294 1.00 0.00 H new ATOM 0 HA ALA A 629 -15.281 5.626 -6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -16.735 4.933 -8.170 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -15.449 3.744 -7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -17.112 3.421 -7.310 1.00 0.00 H new ATOM 1016 N ALA A 630 -17.582 5.365 -4.317 1.00 0.00 N ATOM 1017 CA ALA A 630 -18.738 5.979 -3.677 1.00 0.00 C ATOM 1018 C ALA A 630 -18.343 7.255 -2.938 1.00 0.00 C ATOM 1019 O ALA A 630 -19.183 7.919 -2.333 1.00 0.00 O ATOM 1020 CB ALA A 630 -19.393 4.995 -2.717 1.00 0.00 C ATOM 0 H ALA A 630 -17.028 4.768 -3.702 1.00 0.00 H new ATOM 0 HA ALA A 630 -19.454 6.246 -4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -20.255 5.466 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -19.718 4.112 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -18.675 4.702 -1.951 1.00 0.00 H new ATOM 1026 N GLY A 631 -17.057 7.588 -2.994 1.00 0.00 N ATOM 1027 CA GLY A 631 -16.569 8.781 -2.326 1.00 0.00 C ATOM 1028 C GLY A 631 -16.125 8.508 -0.903 1.00 0.00 C ATOM 1029 O GLY A 631 -16.169 9.394 -0.051 1.00 0.00 O ATOM 0 H GLY A 631 -16.344 7.053 -3.490 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -15.733 9.194 -2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -17.354 9.537 -2.320 1.00 0.00 H new ATOM 1033 N ASN A 632 -15.695 7.277 -0.647 1.00 0.00 N ATOM 1034 CA ASN A 632 -15.240 6.885 0.682 1.00 0.00 C ATOM 1035 C ASN A 632 -13.861 6.237 0.615 1.00 0.00 C ATOM 1036 O ASN A 632 -13.438 5.766 -0.441 1.00 0.00 O ATOM 1037 CB ASN A 632 -16.240 5.919 1.321 1.00 0.00 C ATOM 1038 CG ASN A 632 -17.672 6.396 1.178 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -18.288 6.242 0.124 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -18.209 6.980 2.243 1.00 0.00 N ATOM 0 H ASN A 632 -15.652 6.533 -1.343 1.00 0.00 H new ATOM 0 HA ASN A 632 -15.170 7.783 1.295 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -16.139 4.937 0.859 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -16.003 5.800 2.378 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -19.169 7.322 2.207 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -17.661 7.087 3.097 1.00 0.00 H new ATOM 1047 N VAL A 633 -13.163 6.217 1.747 1.00 0.00 N ATOM 1048 CA VAL A 633 -11.831 5.628 1.811 1.00 0.00 C ATOM 1049 C VAL A 633 -11.635 4.835 3.102 1.00 0.00 C ATOM 1050 O VAL A 633 -12.168 5.196 4.153 1.00 0.00 O ATOM 1051 CB VAL A 633 -10.733 6.708 1.697 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -10.496 7.387 3.036 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -9.444 6.103 1.163 1.00 0.00 C ATOM 0 H VAL A 633 -13.498 6.601 2.630 1.00 0.00 H new ATOM 0 HA VAL A 633 -11.744 4.948 0.964 1.00 0.00 H new ATOM 0 HB VAL A 633 -11.074 7.467 0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -9.718 8.143 2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -11.418 7.861 3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -10.181 6.645 3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -8.681 6.878 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -9.102 5.320 1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -9.624 5.676 0.176 1.00 0.00 H new ATOM 1063 N SER A 634 -10.868 3.754 3.013 1.00 0.00 N ATOM 1064 CA SER A 634 -10.596 2.907 4.169 1.00 0.00 C ATOM 1065 C SER A 634 -9.459 3.485 5.005 1.00 0.00 C ATOM 1066 O SER A 634 -8.964 4.577 4.727 1.00 0.00 O ATOM 1067 CB SER A 634 -10.239 1.490 3.716 1.00 0.00 C ATOM 1068 OG SER A 634 -8.921 1.438 3.198 1.00 0.00 O ATOM 0 H SER A 634 -10.422 3.443 2.150 1.00 0.00 H new ATOM 0 HA SER A 634 -11.496 2.869 4.783 1.00 0.00 H new ATOM 0 HB2 SER A 634 -10.330 0.802 4.557 1.00 0.00 H new ATOM 0 HB3 SER A 634 -10.946 1.159 2.955 1.00 0.00 H new ATOM 0 HG SER A 634 -8.277 1.493 3.935 1.00 0.00 H new ATOM 1074 N ALA A 635 -9.048 2.742 6.030 1.00 0.00 N ATOM 1075 CA ALA A 635 -7.968 3.180 6.904 1.00 0.00 C ATOM 1076 C ALA A 635 -6.617 2.694 6.389 1.00 0.00 C ATOM 1077 O ALA A 635 -6.542 2.006 5.371 1.00 0.00 O ATOM 1078 CB ALA A 635 -8.204 2.683 8.323 1.00 0.00 C ATOM 0 H ALA A 635 -9.447 1.836 6.274 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.956 4.270 6.910 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -7.390 3.017 8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -9.148 3.081 8.696 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -8.244 1.594 8.325 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.552 3.059 7.096 1.00 0.00 N ATOM 1085 CA ALA A 636 -4.206 2.660 6.707 1.00 0.00 C ATOM 1086 C ALA A 636 -3.840 1.308 7.312 1.00 0.00 C ATOM 1087 O ALA A 636 -4.217 1.002 8.443 1.00 0.00 O ATOM 1088 CB ALA A 636 -3.199 3.723 7.124 1.00 0.00 C ATOM 0 H ALA A 636 -5.596 3.630 7.940 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.180 2.560 5.622 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -2.197 3.412 6.827 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.445 4.667 6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -3.233 3.852 8.206 1.00 0.00 H new ATOM 1094 N SER A 637 -3.111 0.502 6.548 1.00 0.00 N ATOM 1095 CA SER A 637 -2.700 -0.823 7.005 1.00 0.00 C ATOM 1096 C SER A 637 -1.533 -0.732 7.985 1.00 0.00 C ATOM 1097 O SER A 637 -1.210 0.346 8.484 1.00 0.00 O ATOM 1098 CB SER A 637 -2.308 -1.693 5.810 1.00 0.00 C ATOM 1099 OG SER A 637 -0.922 -1.584 5.533 1.00 0.00 O ATOM 0 H SER A 637 -2.792 0.742 5.609 1.00 0.00 H new ATOM 0 HA SER A 637 -3.545 -1.278 7.522 1.00 0.00 H new ATOM 0 HB2 SER A 637 -2.560 -2.733 6.015 1.00 0.00 H new ATOM 0 HB3 SER A 637 -2.882 -1.393 4.933 1.00 0.00 H new ATOM 0 HG SER A 637 -0.467 -2.407 5.810 1.00 0.00 H new ATOM 1105 N ASN A 638 -0.905 -1.875 8.252 1.00 0.00 N ATOM 1106 CA ASN A 638 0.228 -1.930 9.170 1.00 0.00 C ATOM 1107 C ASN A 638 1.475 -1.337 8.526 1.00 0.00 C ATOM 1108 O ASN A 638 1.736 -1.552 7.342 1.00 0.00 O ATOM 1109 CB ASN A 638 0.507 -3.375 9.602 1.00 0.00 C ATOM 1110 CG ASN A 638 -0.444 -4.373 8.970 1.00 0.00 C ATOM 1111 OD1 ASN A 638 -0.450 -4.558 7.753 1.00 0.00 O ATOM 1112 ND2 ASN A 638 -1.253 -5.026 9.797 1.00 0.00 N ATOM 0 H ASN A 638 -1.162 -2.774 7.845 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.028 -1.341 10.051 1.00 0.00 H new ATOM 0 HB2 ASN A 638 1.531 -3.637 9.336 1.00 0.00 H new ATOM 0 HB3 ASN A 638 0.432 -3.446 10.687 1.00 0.00 H new ATOM 0 HD21 ASN A 638 -1.913 -5.712 9.430 1.00 0.00 H new ATOM 0 HD22 ASN A 638 -1.215 -4.842 10.799 1.00 0.00 H new ATOM 1119 N ALA A 639 2.246 -0.595 9.315 1.00 0.00 N ATOM 1120 CA ALA A 639 3.469 0.025 8.825 1.00 0.00 C ATOM 1121 C ALA A 639 4.607 -0.986 8.778 1.00 0.00 C ATOM 1122 O ALA A 639 4.988 -1.554 9.803 1.00 0.00 O ATOM 1123 CB ALA A 639 3.848 1.210 9.701 1.00 0.00 C ATOM 0 H ALA A 639 2.044 -0.409 10.297 1.00 0.00 H new ATOM 0 HA ALA A 639 3.289 0.383 7.811 1.00 0.00 H new ATOM 0 HB1 ALA A 639 4.764 1.664 9.323 1.00 0.00 H new ATOM 0 HB2 ALA A 639 3.045 1.946 9.684 1.00 0.00 H new ATOM 0 HB3 ALA A 639 4.007 0.870 10.724 1.00 0.00 H new ATOM 1129 N VAL A 640 5.145 -1.211 7.583 1.00 0.00 N ATOM 1130 CA VAL A 640 6.237 -2.160 7.408 1.00 0.00 C ATOM 1131 C VAL A 640 7.583 -1.443 7.327 1.00 0.00 C ATOM 1132 O VAL A 640 7.706 -0.399 6.686 1.00 0.00 O ATOM 1133 CB VAL A 640 6.034 -3.024 6.143 1.00 0.00 C ATOM 1134 CG1 VAL A 640 6.228 -2.200 4.880 1.00 0.00 C ATOM 1135 CG2 VAL A 640 6.972 -4.221 6.158 1.00 0.00 C ATOM 0 H VAL A 640 4.843 -0.750 6.725 1.00 0.00 H new ATOM 0 HA VAL A 640 6.236 -2.812 8.281 1.00 0.00 H new ATOM 0 HB VAL A 640 5.008 -3.392 6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 640 6.079 -2.834 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 640 5.506 -1.384 4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 640 7.238 -1.791 4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 640 6.815 -4.818 5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 640 8.005 -3.874 6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 640 6.770 -4.831 7.039 1.00 0.00 H new ATOM 1145 N SER A 641 8.588 -2.010 7.987 1.00 0.00 N ATOM 1146 CA SER A 641 9.925 -1.428 7.994 1.00 0.00 C ATOM 1147 C SER A 641 10.876 -2.251 7.130 1.00 0.00 C ATOM 1148 O SER A 641 11.527 -3.176 7.616 1.00 0.00 O ATOM 1149 CB SER A 641 10.458 -1.342 9.426 1.00 0.00 C ATOM 1150 OG SER A 641 11.845 -1.051 9.438 1.00 0.00 O ATOM 0 H SER A 641 8.501 -2.873 8.524 1.00 0.00 H new ATOM 0 HA SER A 641 9.863 -0.422 7.578 1.00 0.00 H new ATOM 0 HB2 SER A 641 9.917 -0.570 9.973 1.00 0.00 H new ATOM 0 HB3 SER A 641 10.277 -2.285 9.942 1.00 0.00 H new ATOM 0 HG SER A 641 12.161 -1.000 10.364 1.00 0.00 H new ATOM 1156 N VAL A 642 10.943 -1.912 5.846 1.00 0.00 N ATOM 1157 CA VAL A 642 11.808 -2.625 4.913 1.00 0.00 C ATOM 1158 C VAL A 642 12.984 -1.765 4.470 1.00 0.00 C ATOM 1159 O VAL A 642 12.838 -0.563 4.243 1.00 0.00 O ATOM 1160 CB VAL A 642 11.027 -3.080 3.666 1.00 0.00 C ATOM 1161 CG1 VAL A 642 10.175 -4.297 3.989 1.00 0.00 C ATOM 1162 CG2 VAL A 642 10.169 -1.944 3.129 1.00 0.00 C ATOM 0 H VAL A 642 10.410 -1.149 5.429 1.00 0.00 H new ATOM 0 HA VAL A 642 12.186 -3.499 5.444 1.00 0.00 H new ATOM 0 HB VAL A 642 11.741 -3.360 2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 642 9.629 -4.606 3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 642 10.817 -5.112 4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 642 9.467 -4.046 4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 642 9.625 -2.284 2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 642 9.460 -1.630 3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 642 10.807 -1.103 2.859 1.00 0.00 H new ATOM 1172 N LYS A 643 14.151 -2.391 4.341 1.00 0.00 N ATOM 1173 CA LYS A 643 15.354 -1.686 3.917 1.00 0.00 C ATOM 1174 C LYS A 643 15.569 -1.844 2.416 1.00 0.00 C ATOM 1175 O LYS A 643 14.984 -2.724 1.785 1.00 0.00 O ATOM 1176 CB LYS A 643 16.574 -2.205 4.675 1.00 0.00 C ATOM 1177 CG LYS A 643 16.720 -3.713 4.628 1.00 0.00 C ATOM 1178 CD LYS A 643 18.179 -4.136 4.690 1.00 0.00 C ATOM 1179 CE LYS A 643 18.615 -4.428 6.116 1.00 0.00 C ATOM 1180 NZ LYS A 643 17.743 -5.446 6.766 1.00 0.00 N ATOM 0 H LYS A 643 14.287 -3.385 4.524 1.00 0.00 H new ATOM 0 HA LYS A 643 15.223 -0.628 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 643 17.472 -1.748 4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 643 16.508 -1.887 5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 643 16.176 -4.158 5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 643 16.269 -4.095 3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 643 18.328 -5.023 4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 643 18.805 -3.348 4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 643 19.646 -4.781 6.115 1.00 0.00 H new ATOM 0 HE3 LYS A 643 18.594 -3.507 6.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 18.288 -5.959 7.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 16.933 -4.973 7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 17.399 -6.117 6.050 1.00 0.00 H new ATOM 1194 N THR A 644 16.411 -0.986 1.849 1.00 0.00 N ATOM 1195 CA THR A 644 16.701 -1.034 0.421 1.00 0.00 C ATOM 1196 C THR A 644 18.203 -1.076 0.164 1.00 0.00 C ATOM 1197 O THR A 644 18.600 -1.033 -1.019 1.00 0.00 O ATOM 1198 CB THR A 644 16.100 0.176 -0.311 1.00 0.00 C ATOM 1199 OG1 THR A 644 16.293 1.365 0.464 1.00 0.00 O ATOM 1200 CG2 THR A 644 14.615 -0.031 -0.568 1.00 0.00 C ATOM 1201 OXT THR A 644 18.969 -1.157 1.147 1.00 0.00 O ATOM 0 H THR A 644 16.904 -0.250 2.356 1.00 0.00 H new ATOM 0 HA THR A 644 16.246 -1.947 0.036 1.00 0.00 H new ATOM 0 HB THR A 644 16.609 0.282 -1.269 1.00 0.00 H new ATOM 0 HG1 THR A 644 17.064 1.860 0.117 1.00 0.00 H new ATOM 0 HG21 THR A 644 14.211 0.838 -1.087 1.00 0.00 H new ATOM 0 HG22 THR A 644 14.473 -0.920 -1.183 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.096 -0.160 0.382 1.00 0.00 H new