USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 598 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 572 THR OG1 : rot -70:sc= 0.722 USER MOD Set 1.2: A 574 SER OG : rot 180:sc= -0.0436 USER MOD Set 1.3: A 575 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 564 THR OG1 : rot 180:sc= -0.669 USER MOD Set 2.2: A 565 ASN : amide:sc= 0 X(o=-0.67,f=-0.67) USER MOD Single : A 557 HIS : no HD1:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 561 THR OG1 : rot 180:sc= 0 USER MOD Single : A 568 SER OG : rot 41:sc= 0.042 USER MOD Single : A 569 THR OG1 : rot 180:sc= 0.192 USER MOD Single : A 571 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0.0481 USER MOD Single : A 577 THR OG1 : rot 69:sc= 0.192 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 581 THR OG1 : rot -72:sc= -0.966! USER MOD Single : A 583 SER OG : rot 150:sc= 0.218 USER MOD Single : A 584 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 586 ASN : amide:sc= -0.0585 K(o=-0.059,f=-4!) USER MOD Single : A 590 THR OG1 : rot -17:sc= 0.272! USER MOD Single : A 592 TYR OH : rot 0:sc= -0.0975 USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 596 ASN :FLIP amide:sc= -0.144 F(o=-0.96,f=-0.14) USER MOD Single : A 598 THR OG1 : rot 180:sc= 0 USER MOD Single : A 602 THR OG1 : rot 151:sc= -0.258 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= 0.0209 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 91:sc= 0.443 USER MOD Single : A 619 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 620 TYR OH : rot 30:sc= 0 USER MOD Single : A 621 THR OG1 : rot 35:sc= 1.04 USER MOD Single : A 623 THR OG1 : rot 180:sc= 0 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 :FLIP amide:sc= 0.595 F(o=0,f=0.59) USER MOD Single : A 634 SER OG : rot 69:sc= -2.32! USER MOD Single : A 637 SER OG : rot 180:sc= -1.56 USER MOD Single : A 638 ASN :FLIP amide:sc= 0.198 F(o=-3.7!,f=0.2) USER MOD Single : A 641 SER OG : rot 180:sc= 0 USER MOD Single : A 643 LYS NZ :NH3+ -168:sc=-0.00351 (180deg=-0.11) USER MOD Single : A 644 THR OG1 : rot -149:sc= -1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 557 -20.816 6.785 1.195 1.00 0.00 N ATOM 2 CA HIS A 557 -21.126 5.757 2.222 1.00 0.00 C ATOM 3 C HIS A 557 -20.656 4.377 1.779 1.00 0.00 C ATOM 4 O HIS A 557 -20.027 4.233 0.730 1.00 0.00 O ATOM 5 CB HIS A 557 -22.636 5.751 2.466 1.00 0.00 C ATOM 6 CG HIS A 557 -23.185 7.093 2.836 1.00 0.00 C ATOM 7 ND1 HIS A 557 -24.043 7.807 2.025 1.00 0.00 N ATOM 8 CD2 HIS A 557 -22.993 7.855 3.939 1.00 0.00 C ATOM 9 CE1 HIS A 557 -24.354 8.948 2.613 1.00 0.00 C ATOM 10 NE2 HIS A 557 -23.731 9.001 3.775 1.00 0.00 N ATOM 0 HA HIS A 557 -20.599 6.001 3.144 1.00 0.00 H new ATOM 0 HB2 HIS A 557 -23.140 5.396 1.567 1.00 0.00 H new ATOM 0 HB3 HIS A 557 -22.865 5.041 3.261 1.00 0.00 H new ATOM 0 HD2 HIS A 557 -22.375 7.607 4.789 1.00 0.00 H new ATOM 0 HE1 HIS A 557 -25.007 9.708 2.211 1.00 0.00 H new ATOM 0 HE2 HIS A 557 -23.788 9.769 4.443 1.00 0.00 H new ATOM 21 N MET A 558 -20.965 3.363 2.584 1.00 0.00 N ATOM 22 CA MET A 558 -20.574 1.991 2.279 1.00 0.00 C ATOM 23 C MET A 558 -19.067 1.894 2.056 1.00 0.00 C ATOM 24 O MET A 558 -18.611 1.351 1.049 1.00 0.00 O ATOM 25 CB MET A 558 -21.323 1.488 1.042 1.00 0.00 C ATOM 26 CG MET A 558 -22.601 0.732 1.369 1.00 0.00 C ATOM 27 SD MET A 558 -22.449 -1.043 1.088 1.00 0.00 S ATOM 28 CE MET A 558 -23.283 -1.212 -0.489 1.00 0.00 C ATOM 0 H MET A 558 -21.486 3.467 3.454 1.00 0.00 H new ATOM 0 HA MET A 558 -20.837 1.364 3.131 1.00 0.00 H new ATOM 0 HB2 MET A 558 -21.567 2.338 0.405 1.00 0.00 H new ATOM 0 HB3 MET A 558 -20.663 0.838 0.468 1.00 0.00 H new ATOM 0 HG2 MET A 558 -22.867 0.910 2.411 1.00 0.00 H new ATOM 0 HG3 MET A 558 -23.416 1.124 0.761 1.00 0.00 H new ATOM 0 HE1 MET A 558 -23.271 -2.258 -0.797 1.00 0.00 H new ATOM 0 HE2 MET A 558 -24.315 -0.874 -0.393 1.00 0.00 H new ATOM 0 HE3 MET A 558 -22.771 -0.608 -1.238 1.00 0.00 H new ATOM 38 N ALA A 559 -18.301 2.430 3.003 1.00 0.00 N ATOM 39 CA ALA A 559 -16.845 2.412 2.917 1.00 0.00 C ATOM 40 C ALA A 559 -16.316 0.989 2.753 1.00 0.00 C ATOM 41 O ALA A 559 -16.962 0.026 3.166 1.00 0.00 O ATOM 42 CB ALA A 559 -16.238 3.062 4.151 1.00 0.00 C ATOM 0 H ALA A 559 -18.667 2.883 3.841 1.00 0.00 H new ATOM 0 HA ALA A 559 -16.553 2.981 2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -15.151 3.042 4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -16.578 4.095 4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -16.549 2.515 5.041 1.00 0.00 H new ATOM 48 N PRO A 560 -15.124 0.837 2.145 1.00 0.00 N ATOM 49 CA PRO A 560 -14.510 -0.475 1.929 1.00 0.00 C ATOM 50 C PRO A 560 -13.854 -1.025 3.191 1.00 0.00 C ATOM 51 O PRO A 560 -14.185 -0.613 4.304 1.00 0.00 O ATOM 52 CB PRO A 560 -13.458 -0.187 0.862 1.00 0.00 C ATOM 53 CG PRO A 560 -13.052 1.225 1.109 1.00 0.00 C ATOM 54 CD PRO A 560 -14.282 1.932 1.621 1.00 0.00 C ATOM 0 HA PRO A 560 -15.241 -1.231 1.641 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.609 -0.865 0.949 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -13.865 -0.313 -0.141 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -12.242 1.276 1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.687 1.691 0.194 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -14.034 2.654 2.399 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.788 2.481 0.827 1.00 0.00 H new ATOM 62 N THR A 561 -12.923 -1.955 3.010 1.00 0.00 N ATOM 63 CA THR A 561 -12.218 -2.562 4.133 1.00 0.00 C ATOM 64 C THR A 561 -10.739 -2.198 4.110 1.00 0.00 C ATOM 65 O THR A 561 -10.051 -2.418 3.112 1.00 0.00 O ATOM 66 CB THR A 561 -12.357 -4.094 4.124 1.00 0.00 C ATOM 67 OG1 THR A 561 -13.709 -4.464 3.827 1.00 0.00 O ATOM 68 CG2 THR A 561 -11.951 -4.683 5.468 1.00 0.00 C ATOM 0 H THR A 561 -12.639 -2.305 2.095 1.00 0.00 H new ATOM 0 HA THR A 561 -12.674 -2.170 5.042 1.00 0.00 H new ATOM 0 HB THR A 561 -11.694 -4.490 3.354 1.00 0.00 H new ATOM 0 HG1 THR A 561 -13.787 -5.441 3.822 1.00 0.00 H new ATOM 0 HG21 THR A 561 -12.058 -5.767 5.437 1.00 0.00 H new ATOM 0 HG22 THR A 561 -10.913 -4.426 5.679 1.00 0.00 H new ATOM 0 HG23 THR A 561 -12.591 -4.278 6.251 1.00 0.00 H new ATOM 76 N ALA A 562 -10.256 -1.642 5.215 1.00 0.00 N ATOM 77 CA ALA A 562 -8.859 -1.246 5.326 1.00 0.00 C ATOM 78 C ALA A 562 -7.932 -2.443 5.124 1.00 0.00 C ATOM 79 O ALA A 562 -8.033 -3.438 5.844 1.00 0.00 O ATOM 80 CB ALA A 562 -8.600 -0.604 6.679 1.00 0.00 C ATOM 0 H ALA A 562 -10.814 -1.455 6.048 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.650 -0.518 4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -7.552 -0.313 6.749 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -9.230 0.279 6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.832 -1.317 7.470 1.00 0.00 H new ATOM 86 N PRO A 563 -7.012 -2.364 4.143 1.00 0.00 N ATOM 87 CA PRO A 563 -6.065 -3.447 3.861 1.00 0.00 C ATOM 88 C PRO A 563 -5.379 -3.953 5.125 1.00 0.00 C ATOM 89 O PRO A 563 -5.332 -3.257 6.138 1.00 0.00 O ATOM 90 CB PRO A 563 -5.047 -2.791 2.928 1.00 0.00 C ATOM 91 CG PRO A 563 -5.809 -1.711 2.241 1.00 0.00 C ATOM 92 CD PRO A 563 -6.821 -1.213 3.238 1.00 0.00 C ATOM 0 HA PRO A 563 -6.556 -4.320 3.431 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.201 -2.387 3.485 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.644 -3.509 2.213 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -5.145 -0.906 1.925 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -6.299 -2.090 1.344 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -6.457 -0.337 3.775 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.754 -0.925 2.753 1.00 0.00 H new ATOM 100 N THR A 564 -4.848 -5.169 5.059 1.00 0.00 N ATOM 101 CA THR A 564 -4.166 -5.767 6.199 1.00 0.00 C ATOM 102 C THR A 564 -3.204 -6.858 5.744 1.00 0.00 C ATOM 103 O THR A 564 -3.212 -7.257 4.580 1.00 0.00 O ATOM 104 CB THR A 564 -5.173 -6.354 7.210 1.00 0.00 C ATOM 105 OG1 THR A 564 -4.538 -7.347 8.024 1.00 0.00 O ATOM 106 CG2 THR A 564 -6.365 -6.966 6.491 1.00 0.00 C ATOM 0 H THR A 564 -4.877 -5.759 4.228 1.00 0.00 H new ATOM 0 HA THR A 564 -3.601 -4.975 6.691 1.00 0.00 H new ATOM 0 HB THR A 564 -5.527 -5.542 7.845 1.00 0.00 H new ATOM 0 HG1 THR A 564 -5.187 -7.711 8.662 1.00 0.00 H new ATOM 0 HG21 THR A 564 -7.062 -7.374 7.223 1.00 0.00 H new ATOM 0 HG22 THR A 564 -6.867 -6.199 5.901 1.00 0.00 H new ATOM 0 HG23 THR A 564 -6.022 -7.764 5.833 1.00 0.00 H new ATOM 114 N ASN A 565 -2.374 -7.335 6.668 1.00 0.00 N ATOM 115 CA ASN A 565 -1.404 -8.380 6.362 1.00 0.00 C ATOM 116 C ASN A 565 -0.452 -7.937 5.253 1.00 0.00 C ATOM 117 O ASN A 565 -0.106 -8.721 4.369 1.00 0.00 O ATOM 118 CB ASN A 565 -2.121 -9.669 5.953 1.00 0.00 C ATOM 119 CG ASN A 565 -2.270 -10.640 7.107 1.00 0.00 C ATOM 120 OD1 ASN A 565 -1.378 -11.444 7.377 1.00 0.00 O ATOM 121 ND2 ASN A 565 -3.402 -10.570 7.797 1.00 0.00 N ATOM 0 H ASN A 565 -2.355 -7.013 7.636 1.00 0.00 H new ATOM 0 HA ASN A 565 -0.818 -8.569 7.262 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -3.107 -9.423 5.559 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -1.567 -10.150 5.147 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -3.558 -11.198 8.585 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -4.115 -9.888 7.539 1.00 0.00 H new ATOM 128 N LEU A 566 -0.031 -6.674 5.306 1.00 0.00 N ATOM 129 CA LEU A 566 0.882 -6.136 4.303 1.00 0.00 C ATOM 130 C LEU A 566 2.246 -6.805 4.402 1.00 0.00 C ATOM 131 O LEU A 566 2.611 -7.344 5.448 1.00 0.00 O ATOM 132 CB LEU A 566 1.034 -4.622 4.463 1.00 0.00 C ATOM 133 CG LEU A 566 2.015 -3.967 3.486 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.528 -4.115 2.053 1.00 0.00 C ATOM 135 CD2 LEU A 566 2.208 -2.503 3.832 1.00 0.00 C ATOM 0 H LEU A 566 -0.306 -6.009 6.029 1.00 0.00 H new ATOM 0 HA LEU A 566 0.458 -6.344 3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 566 0.056 -4.158 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 566 1.361 -4.410 5.481 1.00 0.00 H new ATOM 0 HG LEU A 566 2.976 -4.474 3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.240 -3.643 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.440 -5.173 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.555 -3.636 1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 566 2.908 -2.052 3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.250 -1.986 3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 566 2.605 -2.417 4.844 1.00 0.00 H new ATOM 147 N ALA A 567 2.998 -6.767 3.308 1.00 0.00 N ATOM 148 CA ALA A 567 4.323 -7.372 3.276 1.00 0.00 C ATOM 149 C ALA A 567 5.154 -6.848 2.110 1.00 0.00 C ATOM 150 O ALA A 567 4.695 -6.016 1.328 1.00 0.00 O ATOM 151 CB ALA A 567 4.206 -8.886 3.204 1.00 0.00 C ATOM 0 H ALA A 567 2.713 -6.325 2.434 1.00 0.00 H new ATOM 0 HA ALA A 567 4.837 -7.096 4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 567 5.202 -9.327 3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.668 -9.251 4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.664 -9.166 2.301 1.00 0.00 H new ATOM 157 N SER A 568 6.377 -7.359 1.998 1.00 0.00 N ATOM 158 CA SER A 568 7.287 -6.970 0.926 1.00 0.00 C ATOM 159 C SER A 568 7.950 -8.207 0.327 1.00 0.00 C ATOM 160 O SER A 568 8.590 -8.982 1.038 1.00 0.00 O ATOM 161 CB SER A 568 8.353 -6.008 1.454 1.00 0.00 C ATOM 162 OG SER A 568 8.872 -6.454 2.695 1.00 0.00 O ATOM 0 H SER A 568 6.763 -8.049 2.643 1.00 0.00 H new ATOM 0 HA SER A 568 6.714 -6.463 0.150 1.00 0.00 H new ATOM 0 HB2 SER A 568 9.161 -5.922 0.728 1.00 0.00 H new ATOM 0 HB3 SER A 568 7.923 -5.013 1.572 1.00 0.00 H new ATOM 0 HG SER A 568 8.989 -7.427 2.670 1.00 0.00 H new ATOM 168 N THR A 569 7.784 -8.397 -0.978 1.00 0.00 N ATOM 169 CA THR A 569 8.359 -9.553 -1.658 1.00 0.00 C ATOM 170 C THR A 569 9.640 -9.188 -2.404 1.00 0.00 C ATOM 171 O THR A 569 10.740 -9.304 -1.861 1.00 0.00 O ATOM 172 CB THR A 569 7.358 -10.174 -2.650 1.00 0.00 C ATOM 173 OG1 THR A 569 6.653 -9.141 -3.346 1.00 0.00 O ATOM 174 CG2 THR A 569 6.368 -11.073 -1.927 1.00 0.00 C ATOM 0 H THR A 569 7.258 -7.768 -1.584 1.00 0.00 H new ATOM 0 HA THR A 569 8.597 -10.282 -0.884 1.00 0.00 H new ATOM 0 HB THR A 569 7.916 -10.777 -3.366 1.00 0.00 H new ATOM 0 HG1 THR A 569 6.020 -9.544 -3.976 1.00 0.00 H new ATOM 0 HG21 THR A 569 5.671 -11.500 -2.648 1.00 0.00 H new ATOM 0 HG22 THR A 569 6.906 -11.876 -1.423 1.00 0.00 H new ATOM 0 HG23 THR A 569 5.816 -10.488 -1.191 1.00 0.00 H new ATOM 182 N ALA A 570 9.492 -8.757 -3.654 1.00 0.00 N ATOM 183 CA ALA A 570 10.638 -8.388 -4.475 1.00 0.00 C ATOM 184 C ALA A 570 11.069 -6.950 -4.209 1.00 0.00 C ATOM 185 O ALA A 570 10.467 -6.005 -4.722 1.00 0.00 O ATOM 186 CB ALA A 570 10.315 -8.582 -5.949 1.00 0.00 C ATOM 0 H ALA A 570 8.590 -8.655 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 570 11.469 -9.041 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.180 -8.303 -6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 570 10.068 -9.628 -6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.466 -7.955 -6.221 1.00 0.00 H new ATOM 192 N GLN A 571 12.117 -6.791 -3.407 1.00 0.00 N ATOM 193 CA GLN A 571 12.632 -5.469 -3.073 1.00 0.00 C ATOM 194 C GLN A 571 14.072 -5.312 -3.555 1.00 0.00 C ATOM 195 O GLN A 571 14.978 -5.988 -3.068 1.00 0.00 O ATOM 196 CB GLN A 571 12.549 -5.236 -1.560 1.00 0.00 C ATOM 197 CG GLN A 571 13.409 -4.083 -1.068 1.00 0.00 C ATOM 198 CD GLN A 571 14.471 -4.530 -0.084 1.00 0.00 C ATOM 199 OE1 GLN A 571 15.668 -4.458 -0.368 1.00 0.00 O ATOM 200 NE2 GLN A 571 14.040 -4.999 1.082 1.00 0.00 N ATOM 0 H GLN A 571 12.626 -7.563 -2.976 1.00 0.00 H new ATOM 0 HA GLN A 571 12.019 -4.723 -3.579 1.00 0.00 H new ATOM 0 HB2 GLN A 571 11.511 -5.045 -1.288 1.00 0.00 H new ATOM 0 HB3 GLN A 571 12.851 -6.148 -1.044 1.00 0.00 H new ATOM 0 HG2 GLN A 571 13.888 -3.602 -1.921 1.00 0.00 H new ATOM 0 HG3 GLN A 571 12.772 -3.335 -0.596 1.00 0.00 H new ATOM 0 HE21 GLN A 571 13.040 -5.041 1.276 1.00 0.00 H new ATOM 0 HE22 GLN A 571 14.710 -5.317 1.783 1.00 0.00 H new ATOM 209 N THR A 572 14.271 -4.415 -4.516 1.00 0.00 N ATOM 210 CA THR A 572 15.595 -4.164 -5.069 1.00 0.00 C ATOM 211 C THR A 572 16.207 -2.899 -4.474 1.00 0.00 C ATOM 212 O THR A 572 15.833 -2.476 -3.379 1.00 0.00 O ATOM 213 CB THR A 572 15.544 -4.030 -6.604 1.00 0.00 C ATOM 214 OG1 THR A 572 15.017 -2.749 -6.966 1.00 0.00 O ATOM 215 CG2 THR A 572 14.687 -5.128 -7.217 1.00 0.00 C ATOM 0 H THR A 572 13.529 -3.849 -4.928 1.00 0.00 H new ATOM 0 HA THR A 572 16.218 -5.020 -4.809 1.00 0.00 H new ATOM 0 HB THR A 572 16.559 -4.128 -6.988 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.064 -2.711 -6.740 1.00 0.00 H new ATOM 0 HG21 THR A 572 14.667 -5.012 -8.301 1.00 0.00 H new ATOM 0 HG22 THR A 572 15.107 -6.101 -6.964 1.00 0.00 H new ATOM 0 HG23 THR A 572 13.672 -5.059 -6.826 1.00 0.00 H new ATOM 223 N THR A 573 17.151 -2.301 -5.196 1.00 0.00 N ATOM 224 CA THR A 573 17.813 -1.087 -4.734 1.00 0.00 C ATOM 225 C THR A 573 17.202 0.157 -5.373 1.00 0.00 C ATOM 226 O THR A 573 17.843 1.205 -5.447 1.00 0.00 O ATOM 227 CB THR A 573 19.321 -1.121 -5.043 1.00 0.00 C ATOM 228 OG1 THR A 573 19.594 -2.107 -6.047 1.00 0.00 O ATOM 229 CG2 THR A 573 20.125 -1.431 -3.790 1.00 0.00 C ATOM 0 H THR A 573 17.474 -2.638 -6.103 1.00 0.00 H new ATOM 0 HA THR A 573 17.669 -1.041 -3.655 1.00 0.00 H new ATOM 0 HB THR A 573 19.615 -0.138 -5.410 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.555 -2.121 -6.239 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.187 -1.449 -4.034 1.00 0.00 H new ATOM 0 HG22 THR A 573 19.939 -0.663 -3.039 1.00 0.00 H new ATOM 0 HG23 THR A 573 19.826 -2.403 -3.397 1.00 0.00 H new ATOM 237 N SER A 574 15.960 0.034 -5.831 1.00 0.00 N ATOM 238 CA SER A 574 15.263 1.150 -6.463 1.00 0.00 C ATOM 239 C SER A 574 13.754 0.926 -6.449 1.00 0.00 C ATOM 240 O SER A 574 12.991 1.806 -6.052 1.00 0.00 O ATOM 241 CB SER A 574 15.749 1.336 -7.902 1.00 0.00 C ATOM 242 OG SER A 574 15.568 0.152 -8.659 1.00 0.00 O ATOM 0 H SER A 574 15.415 -0.827 -5.777 1.00 0.00 H new ATOM 0 HA SER A 574 15.485 2.053 -5.894 1.00 0.00 H new ATOM 0 HB2 SER A 574 15.205 2.157 -8.369 1.00 0.00 H new ATOM 0 HB3 SER A 574 16.803 1.612 -7.900 1.00 0.00 H new ATOM 0 HG SER A 574 15.885 0.298 -9.575 1.00 0.00 H new ATOM 248 N SER A 575 13.333 -0.256 -6.885 1.00 0.00 N ATOM 249 CA SER A 575 11.914 -0.595 -6.921 1.00 0.00 C ATOM 250 C SER A 575 11.592 -1.706 -5.929 1.00 0.00 C ATOM 251 O SER A 575 12.270 -2.733 -5.890 1.00 0.00 O ATOM 252 CB SER A 575 11.507 -1.023 -8.332 1.00 0.00 C ATOM 253 OG SER A 575 12.631 -1.086 -9.193 1.00 0.00 O ATOM 0 H SER A 575 13.952 -0.995 -7.218 1.00 0.00 H new ATOM 0 HA SER A 575 11.348 0.293 -6.639 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.020 -1.998 -8.293 1.00 0.00 H new ATOM 0 HB3 SER A 575 10.778 -0.319 -8.732 1.00 0.00 H new ATOM 0 HG SER A 575 12.343 -1.363 -10.088 1.00 0.00 H new ATOM 259 N ILE A 576 10.553 -1.496 -5.128 1.00 0.00 N ATOM 260 CA ILE A 576 10.139 -2.481 -4.136 1.00 0.00 C ATOM 261 C ILE A 576 8.720 -2.971 -4.408 1.00 0.00 C ATOM 262 O ILE A 576 7.869 -2.214 -4.875 1.00 0.00 O ATOM 263 CB ILE A 576 10.211 -1.907 -2.704 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.829 -2.978 -1.678 1.00 0.00 C ATOM 265 CG2 ILE A 576 9.305 -0.691 -2.574 1.00 0.00 C ATOM 266 CD1 ILE A 576 10.042 -2.550 -0.242 1.00 0.00 C ATOM 0 H ILE A 576 9.982 -0.651 -5.147 1.00 0.00 H new ATOM 0 HA ILE A 576 10.831 -3.319 -4.215 1.00 0.00 H new ATOM 0 HB ILE A 576 11.236 -1.594 -2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.781 -3.244 -1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.414 -3.877 -1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 576 9.367 -0.298 -1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.622 0.076 -3.280 1.00 0.00 H new ATOM 0 HG23 ILE A 576 8.276 -0.979 -2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.750 -3.360 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 576 11.094 -2.312 -0.085 1.00 0.00 H new ATOM 0 HD13 ILE A 576 9.436 -1.669 -0.031 1.00 0.00 H new ATOM 278 N THR A 577 8.472 -4.241 -4.105 1.00 0.00 N ATOM 279 CA THR A 577 7.158 -4.833 -4.308 1.00 0.00 C ATOM 280 C THR A 577 6.424 -4.988 -2.980 1.00 0.00 C ATOM 281 O THR A 577 7.020 -5.366 -1.971 1.00 0.00 O ATOM 282 CB THR A 577 7.257 -6.207 -4.998 1.00 0.00 C ATOM 283 OG1 THR A 577 8.027 -6.096 -6.201 1.00 0.00 O ATOM 284 CG2 THR A 577 5.873 -6.750 -5.325 1.00 0.00 C ATOM 0 H THR A 577 9.166 -4.880 -3.717 1.00 0.00 H new ATOM 0 HA THR A 577 6.599 -4.158 -4.955 1.00 0.00 H new ATOM 0 HB THR A 577 7.749 -6.898 -4.314 1.00 0.00 H new ATOM 0 HG1 THR A 577 8.963 -5.913 -5.975 1.00 0.00 H new ATOM 0 HG21 THR A 577 5.969 -7.721 -5.812 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.299 -6.860 -4.405 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.359 -6.058 -5.993 1.00 0.00 H new ATOM 292 N LEU A 578 5.130 -4.686 -2.987 1.00 0.00 N ATOM 293 CA LEU A 578 4.315 -4.783 -1.782 1.00 0.00 C ATOM 294 C LEU A 578 3.082 -5.647 -2.023 1.00 0.00 C ATOM 295 O LEU A 578 2.391 -5.493 -3.029 1.00 0.00 O ATOM 296 CB LEU A 578 3.890 -3.383 -1.327 1.00 0.00 C ATOM 297 CG LEU A 578 4.312 -2.989 0.095 1.00 0.00 C ATOM 298 CD1 LEU A 578 5.755 -3.386 0.369 1.00 0.00 C ATOM 299 CD2 LEU A 578 4.127 -1.494 0.303 1.00 0.00 C ATOM 0 H LEU A 578 4.623 -4.372 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 578 4.913 -5.253 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 578 4.303 -2.654 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 578 2.805 -3.312 -1.397 1.00 0.00 H new ATOM 0 HG LEU A 578 3.675 -3.526 0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 578 6.026 -3.094 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 578 5.862 -4.465 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 578 6.412 -2.883 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 578 4.430 -1.227 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 578 4.740 -0.948 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 578 3.079 -1.233 0.157 1.00 0.00 H new ATOM 311 N SER A 579 2.811 -6.553 -1.091 1.00 0.00 N ATOM 312 CA SER A 579 1.658 -7.440 -1.196 1.00 0.00 C ATOM 313 C SER A 579 0.830 -7.395 0.085 1.00 0.00 C ATOM 314 O SER A 579 1.378 -7.284 1.182 1.00 0.00 O ATOM 315 CB SER A 579 2.113 -8.874 -1.478 1.00 0.00 C ATOM 316 OG SER A 579 1.014 -9.699 -1.821 1.00 0.00 O ATOM 0 H SER A 579 3.375 -6.693 -0.253 1.00 0.00 H new ATOM 0 HA SER A 579 1.037 -7.099 -2.024 1.00 0.00 H new ATOM 0 HB2 SER A 579 2.840 -8.875 -2.290 1.00 0.00 H new ATOM 0 HB3 SER A 579 2.616 -9.279 -0.600 1.00 0.00 H new ATOM 0 HG SER A 579 1.331 -10.609 -1.998 1.00 0.00 H new ATOM 322 N TRP A 580 -0.489 -7.469 -0.060 1.00 0.00 N ATOM 323 CA TRP A 580 -1.385 -7.425 1.090 1.00 0.00 C ATOM 324 C TRP A 580 -2.739 -8.042 0.757 1.00 0.00 C ATOM 325 O TRP A 580 -3.037 -8.322 -0.405 1.00 0.00 O ATOM 326 CB TRP A 580 -1.578 -5.979 1.548 1.00 0.00 C ATOM 327 CG TRP A 580 -2.249 -5.120 0.519 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.580 -4.826 0.436 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.622 -4.453 -0.581 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.818 -4.014 -0.646 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.632 -3.772 -1.287 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.305 -4.365 -1.038 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.363 -3.013 -2.424 1.00 0.00 C ATOM 334 CZ3 TRP A 580 -0.040 -3.611 -2.165 1.00 0.00 C ATOM 335 CH2 TRP A 580 -1.064 -2.944 -2.847 1.00 0.00 C ATOM 0 H TRP A 580 -0.960 -7.559 -0.960 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.931 -8.005 1.893 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.171 -5.970 2.463 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.607 -5.549 1.794 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.336 -5.180 1.121 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.729 -3.651 -0.926 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.492 -4.877 -0.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -3.152 -2.498 -2.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 0.975 -3.535 -2.526 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.824 -2.363 -3.725 1.00 0.00 H new ATOM 346 N THR A 581 -3.556 -8.250 1.786 1.00 0.00 N ATOM 347 CA THR A 581 -4.873 -8.825 1.613 1.00 0.00 C ATOM 348 C THR A 581 -5.873 -7.777 1.138 1.00 0.00 C ATOM 349 O THR A 581 -6.181 -6.827 1.859 1.00 0.00 O ATOM 350 CB THR A 581 -5.374 -9.438 2.930 1.00 0.00 C ATOM 351 OG1 THR A 581 -5.487 -8.425 3.935 1.00 0.00 O ATOM 352 CG2 THR A 581 -4.435 -10.534 3.412 1.00 0.00 C ATOM 0 H THR A 581 -3.320 -8.025 2.752 1.00 0.00 H new ATOM 0 HA THR A 581 -4.791 -9.605 0.856 1.00 0.00 H new ATOM 0 HB THR A 581 -6.355 -9.876 2.746 1.00 0.00 H new ATOM 0 HG1 THR A 581 -4.592 -8.145 4.220 1.00 0.00 H new ATOM 0 HG21 THR A 581 -4.812 -10.952 4.346 1.00 0.00 H new ATOM 0 HG22 THR A 581 -4.377 -11.321 2.660 1.00 0.00 H new ATOM 0 HG23 THR A 581 -3.442 -10.116 3.576 1.00 0.00 H new ATOM 360 N ALA A 582 -6.376 -7.954 -0.080 1.00 0.00 N ATOM 361 CA ALA A 582 -7.340 -7.023 -0.654 1.00 0.00 C ATOM 362 C ALA A 582 -8.579 -6.902 0.226 1.00 0.00 C ATOM 363 O ALA A 582 -8.867 -7.786 1.035 1.00 0.00 O ATOM 364 CB ALA A 582 -7.730 -7.465 -2.055 1.00 0.00 C ATOM 0 H ALA A 582 -6.131 -8.735 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 582 -6.869 -6.042 -0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -8.450 -6.761 -2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -6.843 -7.494 -2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -8.177 -8.458 -2.012 1.00 0.00 H new ATOM 370 N SER A 583 -9.309 -5.803 0.063 1.00 0.00 N ATOM 371 CA SER A 583 -10.519 -5.566 0.842 1.00 0.00 C ATOM 372 C SER A 583 -11.553 -6.655 0.579 1.00 0.00 C ATOM 373 O SER A 583 -11.632 -7.197 -0.523 1.00 0.00 O ATOM 374 CB SER A 583 -11.107 -4.193 0.504 1.00 0.00 C ATOM 375 OG SER A 583 -12.305 -4.317 -0.242 1.00 0.00 O ATOM 0 H SER A 583 -9.084 -5.063 -0.601 1.00 0.00 H new ATOM 0 HA SER A 583 -10.254 -5.589 1.899 1.00 0.00 H new ATOM 0 HB2 SER A 583 -11.304 -3.643 1.424 1.00 0.00 H new ATOM 0 HB3 SER A 583 -10.380 -3.613 -0.065 1.00 0.00 H new ATOM 0 HG SER A 583 -12.892 -3.557 -0.046 1.00 0.00 H new ATOM 381 N THR A 584 -12.343 -6.972 1.600 1.00 0.00 N ATOM 382 CA THR A 584 -13.371 -7.998 1.480 1.00 0.00 C ATOM 383 C THR A 584 -14.585 -7.472 0.722 1.00 0.00 C ATOM 384 O THR A 584 -15.518 -8.222 0.428 1.00 0.00 O ATOM 385 CB THR A 584 -13.823 -8.506 2.861 1.00 0.00 C ATOM 386 OG1 THR A 584 -12.779 -8.309 3.823 1.00 0.00 O ATOM 387 CG2 THR A 584 -14.189 -9.981 2.799 1.00 0.00 C ATOM 0 H THR A 584 -12.290 -6.533 2.519 1.00 0.00 H new ATOM 0 HA THR A 584 -12.929 -8.825 0.925 1.00 0.00 H new ATOM 0 HB THR A 584 -14.704 -7.939 3.162 1.00 0.00 H new ATOM 0 HG1 THR A 584 -13.076 -8.633 4.699 1.00 0.00 H new ATOM 0 HG21 THR A 584 -14.506 -10.319 3.786 1.00 0.00 H new ATOM 0 HG22 THR A 584 -15.003 -10.124 2.088 1.00 0.00 H new ATOM 0 HG23 THR A 584 -13.321 -10.558 2.479 1.00 0.00 H new ATOM 395 N ASP A 585 -14.567 -6.182 0.408 1.00 0.00 N ATOM 396 CA ASP A 585 -15.665 -5.554 -0.318 1.00 0.00 C ATOM 397 C ASP A 585 -15.153 -4.829 -1.559 1.00 0.00 C ATOM 398 O ASP A 585 -15.101 -3.600 -1.596 1.00 0.00 O ATOM 399 CB ASP A 585 -16.410 -4.575 0.590 1.00 0.00 C ATOM 400 CG ASP A 585 -17.257 -5.277 1.634 1.00 0.00 C ATOM 401 OD1 ASP A 585 -17.429 -6.510 1.527 1.00 0.00 O ATOM 402 OD2 ASP A 585 -17.747 -4.597 2.559 1.00 0.00 O ATOM 0 H ASP A 585 -13.803 -5.549 0.645 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.353 -6.337 -0.636 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -15.689 -3.927 1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -17.048 -3.934 -0.019 1.00 0.00 H new ATOM 407 N ASN A 586 -14.774 -5.600 -2.575 1.00 0.00 N ATOM 408 CA ASN A 586 -14.263 -5.033 -3.819 1.00 0.00 C ATOM 409 C ASN A 586 -15.404 -4.672 -4.766 1.00 0.00 C ATOM 410 O ASN A 586 -15.197 -4.507 -5.969 1.00 0.00 O ATOM 411 CB ASN A 586 -13.307 -6.018 -4.498 1.00 0.00 C ATOM 412 CG ASN A 586 -13.965 -7.349 -4.814 1.00 0.00 C ATOM 413 OD1 ASN A 586 -15.110 -7.596 -4.436 1.00 0.00 O ATOM 414 ND2 ASN A 586 -13.239 -8.216 -5.510 1.00 0.00 N ATOM 0 H ASN A 586 -14.811 -6.619 -2.561 1.00 0.00 H new ATOM 0 HA ASN A 586 -13.719 -4.120 -3.576 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -12.930 -5.575 -5.420 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -12.446 -6.187 -3.851 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -13.627 -9.128 -5.751 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -12.294 -7.970 -5.803 1.00 0.00 H new ATOM 421 N VAL A 587 -16.607 -4.547 -4.215 1.00 0.00 N ATOM 422 CA VAL A 587 -17.783 -4.203 -5.007 1.00 0.00 C ATOM 423 C VAL A 587 -17.855 -2.699 -5.258 1.00 0.00 C ATOM 424 O VAL A 587 -18.603 -2.238 -6.122 1.00 0.00 O ATOM 425 CB VAL A 587 -19.079 -4.667 -4.310 1.00 0.00 C ATOM 426 CG1 VAL A 587 -19.333 -3.854 -3.049 1.00 0.00 C ATOM 427 CG2 VAL A 587 -20.264 -4.575 -5.261 1.00 0.00 C ATOM 0 H VAL A 587 -16.794 -4.679 -3.221 1.00 0.00 H new ATOM 0 HA VAL A 587 -17.690 -4.719 -5.962 1.00 0.00 H new ATOM 0 HB VAL A 587 -18.956 -5.711 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -20.252 -4.198 -2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -18.498 -3.981 -2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -19.432 -2.800 -3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -21.168 -4.907 -4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -20.390 -3.542 -5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -20.084 -5.210 -6.129 1.00 0.00 H new ATOM 437 N GLY A 588 -17.073 -1.939 -4.497 1.00 0.00 N ATOM 438 CA GLY A 588 -17.065 -0.496 -4.652 1.00 0.00 C ATOM 439 C GLY A 588 -15.664 0.067 -4.799 1.00 0.00 C ATOM 440 O GLY A 588 -15.477 1.144 -5.364 1.00 0.00 O ATOM 0 H GLY A 588 -16.446 -2.297 -3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.655 -0.225 -5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.548 -0.039 -3.788 1.00 0.00 H new ATOM 444 N VAL A 589 -14.679 -0.665 -4.287 1.00 0.00 N ATOM 445 CA VAL A 589 -13.288 -0.233 -4.363 1.00 0.00 C ATOM 446 C VAL A 589 -12.828 -0.107 -5.811 1.00 0.00 C ATOM 447 O VAL A 589 -13.223 -0.898 -6.669 1.00 0.00 O ATOM 448 CB VAL A 589 -12.354 -1.207 -3.621 1.00 0.00 C ATOM 449 CG1 VAL A 589 -10.968 -0.602 -3.461 1.00 0.00 C ATOM 450 CG2 VAL A 589 -12.939 -1.579 -2.268 1.00 0.00 C ATOM 0 H VAL A 589 -14.818 -1.559 -3.816 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.235 0.744 -3.883 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.262 -2.116 -4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.323 -1.305 -2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.548 -0.390 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -11.039 0.323 -2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.266 -2.268 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -13.063 -0.679 -1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -13.908 -2.057 -2.410 1.00 0.00 H new ATOM 460 N THR A 590 -11.994 0.892 -6.075 1.00 0.00 N ATOM 461 CA THR A 590 -11.480 1.125 -7.419 1.00 0.00 C ATOM 462 C THR A 590 -9.978 0.878 -7.483 1.00 0.00 C ATOM 463 O THR A 590 -9.409 0.733 -8.566 1.00 0.00 O ATOM 464 CB THR A 590 -11.775 2.563 -7.889 1.00 0.00 C ATOM 465 OG1 THR A 590 -11.162 2.798 -9.163 1.00 0.00 O ATOM 466 CG2 THR A 590 -11.261 3.579 -6.880 1.00 0.00 C ATOM 0 H THR A 590 -11.659 1.554 -5.375 1.00 0.00 H new ATOM 0 HA THR A 590 -11.988 0.423 -8.080 1.00 0.00 H new ATOM 0 HB THR A 590 -12.855 2.677 -7.978 1.00 0.00 H new ATOM 0 HG1 THR A 590 -10.483 2.111 -9.331 1.00 0.00 H new ATOM 0 HG21 THR A 590 -11.481 4.586 -7.234 1.00 0.00 H new ATOM 0 HG22 THR A 590 -11.750 3.417 -5.919 1.00 0.00 H new ATOM 0 HG23 THR A 590 -10.184 3.463 -6.763 1.00 0.00 H new ATOM 474 N GLY A 591 -9.339 0.829 -6.318 1.00 0.00 N ATOM 475 CA GLY A 591 -7.906 0.600 -6.267 1.00 0.00 C ATOM 476 C GLY A 591 -7.332 0.788 -4.876 1.00 0.00 C ATOM 477 O GLY A 591 -8.072 1.005 -3.916 1.00 0.00 O ATOM 0 H GLY A 591 -9.787 0.944 -5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.692 -0.412 -6.610 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.408 1.282 -6.956 1.00 0.00 H new ATOM 481 N TYR A 592 -6.009 0.706 -4.770 1.00 0.00 N ATOM 482 CA TYR A 592 -5.329 0.866 -3.490 1.00 0.00 C ATOM 483 C TYR A 592 -4.170 1.851 -3.604 1.00 0.00 C ATOM 484 O TYR A 592 -3.315 1.723 -4.480 1.00 0.00 O ATOM 485 CB TYR A 592 -4.809 -0.484 -2.991 1.00 0.00 C ATOM 486 CG TYR A 592 -5.882 -1.542 -2.870 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.238 -2.325 -3.960 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.536 -1.758 -1.665 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.217 -3.294 -3.853 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.516 -2.726 -1.549 1.00 0.00 C ATOM 491 CZ TYR A 592 -7.852 -3.491 -2.646 1.00 0.00 C ATOM 492 OH TYR A 592 -8.827 -4.456 -2.535 1.00 0.00 O ATOM 0 H TYR A 592 -5.386 0.529 -5.558 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.051 1.261 -2.776 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.036 -0.840 -3.672 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.337 -0.345 -2.018 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -5.741 -2.174 -4.907 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -6.275 -1.160 -0.804 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -7.483 -3.894 -4.711 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -8.016 -2.882 -0.604 1.00 0.00 H new ATOM 0 HH TYR A 592 -8.943 -4.904 -3.399 1.00 0.00 H new ATOM 502 N ASP A 593 -4.144 2.829 -2.705 1.00 0.00 N ATOM 503 CA ASP A 593 -3.087 3.833 -2.693 1.00 0.00 C ATOM 504 C ASP A 593 -2.200 3.657 -1.466 1.00 0.00 C ATOM 505 O ASP A 593 -2.666 3.771 -0.333 1.00 0.00 O ATOM 506 CB ASP A 593 -3.689 5.241 -2.702 1.00 0.00 C ATOM 507 CG ASP A 593 -3.927 5.760 -4.107 1.00 0.00 C ATOM 508 OD1 ASP A 593 -4.168 4.936 -5.013 1.00 0.00 O ATOM 509 OD2 ASP A 593 -3.875 6.994 -4.300 1.00 0.00 O ATOM 0 H ASP A 593 -4.845 2.948 -1.974 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.480 3.702 -3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -4.632 5.233 -2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -3.021 5.922 -2.175 1.00 0.00 H new ATOM 514 N VAL A 594 -0.922 3.370 -1.696 1.00 0.00 N ATOM 515 CA VAL A 594 0.016 3.171 -0.599 1.00 0.00 C ATOM 516 C VAL A 594 0.845 4.428 -0.350 1.00 0.00 C ATOM 517 O VAL A 594 1.277 5.098 -1.287 1.00 0.00 O ATOM 518 CB VAL A 594 0.942 1.959 -0.854 1.00 0.00 C ATOM 519 CG1 VAL A 594 0.953 1.588 -2.326 1.00 0.00 C ATOM 520 CG2 VAL A 594 2.357 2.219 -0.353 1.00 0.00 C ATOM 0 H VAL A 594 -0.515 3.271 -2.626 1.00 0.00 H new ATOM 0 HA VAL A 594 -0.573 2.962 0.294 1.00 0.00 H new ATOM 0 HB VAL A 594 0.542 1.117 -0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 594 1.611 0.733 -2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 594 -0.057 1.330 -2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 594 1.313 2.434 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 594 2.979 1.346 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 594 2.773 3.084 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 594 2.333 2.414 0.719 1.00 0.00 H new ATOM 530 N TYR A 595 1.052 4.740 0.924 1.00 0.00 N ATOM 531 CA TYR A 595 1.816 5.915 1.318 1.00 0.00 C ATOM 532 C TYR A 595 3.249 5.544 1.687 1.00 0.00 C ATOM 533 O TYR A 595 3.513 4.445 2.173 1.00 0.00 O ATOM 534 CB TYR A 595 1.152 6.594 2.518 1.00 0.00 C ATOM 535 CG TYR A 595 -0.286 7.006 2.286 1.00 0.00 C ATOM 536 CD1 TYR A 595 -1.315 6.081 2.404 1.00 0.00 C ATOM 537 CD2 TYR A 595 -0.614 8.313 1.933 1.00 0.00 C ATOM 538 CE1 TYR A 595 -2.631 6.444 2.182 1.00 0.00 C ATOM 539 CE2 TYR A 595 -1.929 8.684 1.709 1.00 0.00 C ATOM 540 CZ TYR A 595 -2.927 7.784 1.880 1.00 0.00 C ATOM 541 OH TYR A 595 -4.241 8.106 1.612 1.00 0.00 O ATOM 0 H TYR A 595 0.698 4.190 1.706 1.00 0.00 H new ATOM 0 HA TYR A 595 1.838 6.597 0.468 1.00 0.00 H new ATOM 0 HB2 TYR A 595 1.190 5.916 3.371 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.731 7.477 2.787 1.00 0.00 H new ATOM 0 HD1 TYR A 595 -1.084 5.061 2.674 1.00 0.00 H new ATOM 0 HD2 TYR A 595 0.170 9.049 1.832 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -3.420 5.708 2.240 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -2.159 9.692 1.398 1.00 0.00 H new ATOM 0 HH TYR A 595 -4.310 9.064 1.420 1.00 0.00 H new ATOM 551 N ASN A 596 4.165 6.481 1.468 1.00 0.00 N ATOM 552 CA ASN A 596 5.571 6.273 1.793 1.00 0.00 C ATOM 553 C ASN A 596 5.989 7.211 2.920 1.00 0.00 C ATOM 554 O ASN A 596 6.513 8.299 2.677 1.00 0.00 O ATOM 555 CB ASN A 596 6.447 6.507 0.558 1.00 0.00 C ATOM 556 CG ASN A 596 7.928 6.524 0.888 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.341 5.667 1.816 1.00 0.00 O flip ATOM 558 ND2 ASN A 596 8.694 7.299 0.315 1.00 0.00 N flip ATOM 0 H ASN A 596 3.958 7.395 1.065 1.00 0.00 H new ATOM 0 HA ASN A 596 5.705 5.242 2.121 1.00 0.00 H new ATOM 0 HB2 ASN A 596 6.251 5.725 -0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 596 6.171 7.454 0.095 1.00 0.00 H new ATOM 0 HD21 ASN A 596 8.335 7.941 -0.392 1.00 0.00 H new ATOM 0 HD22 ASN A 596 9.687 7.299 0.547 1.00 0.00 H new ATOM 565 N GLY A 597 5.736 6.787 4.154 1.00 0.00 N ATOM 566 CA GLY A 597 6.076 7.603 5.303 1.00 0.00 C ATOM 567 C GLY A 597 4.897 8.423 5.789 1.00 0.00 C ATOM 568 O GLY A 597 4.398 8.209 6.894 1.00 0.00 O ATOM 0 H GLY A 597 5.301 5.892 4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.429 6.962 6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 597 6.898 8.270 5.043 1.00 0.00 H new ATOM 572 N THR A 598 4.447 9.360 4.957 1.00 0.00 N ATOM 573 CA THR A 598 3.315 10.214 5.303 1.00 0.00 C ATOM 574 C THR A 598 2.614 10.732 4.052 1.00 0.00 C ATOM 575 O THR A 598 1.419 11.029 4.077 1.00 0.00 O ATOM 576 CB THR A 598 3.751 11.413 6.165 1.00 0.00 C ATOM 577 OG1 THR A 598 5.043 11.874 5.750 1.00 0.00 O ATOM 578 CG2 THR A 598 3.792 11.038 7.639 1.00 0.00 C ATOM 0 H THR A 598 4.850 9.546 4.039 1.00 0.00 H new ATOM 0 HA THR A 598 2.623 9.598 5.878 1.00 0.00 H new ATOM 0 HB THR A 598 3.020 12.210 6.030 1.00 0.00 H new ATOM 0 HG1 THR A 598 5.311 12.638 6.303 1.00 0.00 H new ATOM 0 HG21 THR A 598 4.103 11.902 8.226 1.00 0.00 H new ATOM 0 HG22 THR A 598 2.801 10.718 7.961 1.00 0.00 H new ATOM 0 HG23 THR A 598 4.502 10.224 7.788 1.00 0.00 H new ATOM 586 N ALA A 599 3.364 10.838 2.960 1.00 0.00 N ATOM 587 CA ALA A 599 2.813 11.319 1.698 1.00 0.00 C ATOM 588 C ALA A 599 2.496 10.158 0.763 1.00 0.00 C ATOM 589 O ALA A 599 3.114 9.097 0.847 1.00 0.00 O ATOM 590 CB ALA A 599 3.783 12.285 1.033 1.00 0.00 C ATOM 0 H ALA A 599 4.355 10.597 2.923 1.00 0.00 H new ATOM 0 HA ALA A 599 1.883 11.846 1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 599 3.359 12.636 0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 599 3.959 13.135 1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 599 4.727 11.776 0.838 1.00 0.00 H new ATOM 596 N LEU A 600 1.530 10.364 -0.128 1.00 0.00 N ATOM 597 CA LEU A 600 1.131 9.332 -1.078 1.00 0.00 C ATOM 598 C LEU A 600 2.313 8.895 -1.936 1.00 0.00 C ATOM 599 O LEU A 600 3.035 9.727 -2.487 1.00 0.00 O ATOM 600 CB LEU A 600 -0.005 9.839 -1.970 1.00 0.00 C ATOM 601 CG LEU A 600 -0.860 8.752 -2.635 1.00 0.00 C ATOM 602 CD1 LEU A 600 -0.195 8.256 -3.908 1.00 0.00 C ATOM 603 CD2 LEU A 600 -1.124 7.592 -1.681 1.00 0.00 C ATOM 0 H LEU A 600 1.009 11.237 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 600 0.779 8.470 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.658 10.474 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.423 10.468 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 600 -1.822 9.195 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -0.815 7.486 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -0.075 9.087 -4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 600 0.783 7.839 -3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -1.732 6.839 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 600 -0.176 7.148 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 600 -1.653 7.958 -0.801 1.00 0.00 H new ATOM 615 N ALA A 601 2.505 7.584 -2.044 1.00 0.00 N ATOM 616 CA ALA A 601 3.600 7.033 -2.833 1.00 0.00 C ATOM 617 C ALA A 601 3.105 6.537 -4.191 1.00 0.00 C ATOM 618 O ALA A 601 2.807 7.336 -5.079 1.00 0.00 O ATOM 619 CB ALA A 601 4.291 5.914 -2.066 1.00 0.00 C ATOM 0 H ALA A 601 1.916 6.883 -1.594 1.00 0.00 H new ATOM 0 HA ALA A 601 4.324 7.827 -3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.107 5.511 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 601 4.689 6.306 -1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 601 3.573 5.122 -1.852 1.00 0.00 H new ATOM 625 N THR A 602 3.019 5.217 -4.351 1.00 0.00 N ATOM 626 CA THR A 602 2.561 4.630 -5.604 1.00 0.00 C ATOM 627 C THR A 602 1.048 4.424 -5.603 1.00 0.00 C ATOM 628 O THR A 602 0.397 4.506 -4.558 1.00 0.00 O ATOM 629 CB THR A 602 3.259 3.285 -5.889 1.00 0.00 C ATOM 630 OG1 THR A 602 2.685 2.668 -7.049 1.00 0.00 O ATOM 631 CG2 THR A 602 3.138 2.345 -4.701 1.00 0.00 C ATOM 0 H THR A 602 3.260 4.538 -3.629 1.00 0.00 H new ATOM 0 HA THR A 602 2.822 5.336 -6.393 1.00 0.00 H new ATOM 0 HB THR A 602 4.316 3.485 -6.067 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.359 2.110 -7.490 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.639 1.404 -4.929 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.603 2.801 -3.827 1.00 0.00 H new ATOM 0 HG23 THR A 602 2.085 2.155 -4.494 1.00 0.00 H new ATOM 639 N THR A 603 0.499 4.156 -6.784 1.00 0.00 N ATOM 640 CA THR A 603 -0.935 3.938 -6.938 1.00 0.00 C ATOM 641 C THR A 603 -1.201 2.660 -7.726 1.00 0.00 C ATOM 642 O THR A 603 -0.711 2.495 -8.843 1.00 0.00 O ATOM 643 CB THR A 603 -1.608 5.127 -7.655 1.00 0.00 C ATOM 644 OG1 THR A 603 -1.502 6.307 -6.851 1.00 0.00 O ATOM 645 CG2 THR A 603 -3.074 4.836 -7.940 1.00 0.00 C ATOM 0 H THR A 603 1.029 4.084 -7.652 1.00 0.00 H new ATOM 0 HA THR A 603 -1.360 3.845 -5.939 1.00 0.00 H new ATOM 0 HB THR A 603 -1.095 5.283 -8.604 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.930 7.058 -7.314 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.523 5.691 -8.446 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.153 3.955 -8.577 1.00 0.00 H new ATOM 0 HG23 THR A 603 -3.598 4.653 -7.002 1.00 0.00 H new ATOM 653 N VAL A 604 -1.977 1.757 -7.136 1.00 0.00 N ATOM 654 CA VAL A 604 -2.300 0.493 -7.783 1.00 0.00 C ATOM 655 C VAL A 604 -3.799 0.220 -7.747 1.00 0.00 C ATOM 656 O VAL A 604 -4.578 1.038 -7.258 1.00 0.00 O ATOM 657 CB VAL A 604 -1.554 -0.677 -7.117 1.00 0.00 C ATOM 658 CG1 VAL A 604 -0.057 -0.549 -7.346 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.869 -0.737 -5.629 1.00 0.00 C ATOM 0 H VAL A 604 -2.393 1.878 -6.212 1.00 0.00 H new ATOM 0 HA VAL A 604 -1.980 0.575 -8.822 1.00 0.00 H new ATOM 0 HB VAL A 604 -1.893 -1.607 -7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.457 -1.384 -6.869 1.00 0.00 H new ATOM 0 HG12 VAL A 604 0.150 -0.560 -8.416 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.298 0.388 -6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.332 -1.571 -5.177 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.560 0.194 -5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -2.941 -0.877 -5.489 1.00 0.00 H new ATOM 669 N THR A 605 -4.196 -0.936 -8.271 1.00 0.00 N ATOM 670 CA THR A 605 -5.603 -1.321 -8.302 1.00 0.00 C ATOM 671 C THR A 605 -5.768 -2.815 -8.046 1.00 0.00 C ATOM 672 O THR A 605 -6.886 -3.330 -8.019 1.00 0.00 O ATOM 673 CB THR A 605 -6.256 -0.970 -9.653 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.522 -1.576 -10.724 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.311 0.537 -9.857 1.00 0.00 C ATOM 0 H THR A 605 -3.562 -1.623 -8.680 1.00 0.00 H new ATOM 0 HA THR A 605 -6.100 -0.759 -7.511 1.00 0.00 H new ATOM 0 HB THR A 605 -7.276 -1.355 -9.648 1.00 0.00 H new ATOM 0 HG1 THR A 605 -5.944 -1.350 -11.579 1.00 0.00 H new ATOM 0 HG21 THR A 605 -6.776 0.757 -10.818 1.00 0.00 H new ATOM 0 HG22 THR A 605 -6.896 0.991 -9.058 1.00 0.00 H new ATOM 0 HG23 THR A 605 -5.300 0.943 -9.842 1.00 0.00 H new ATOM 683 N GLY A 606 -4.647 -3.505 -7.861 1.00 0.00 N ATOM 684 CA GLY A 606 -4.688 -4.934 -7.612 1.00 0.00 C ATOM 685 C GLY A 606 -4.259 -5.294 -6.204 1.00 0.00 C ATOM 686 O GLY A 606 -4.532 -4.556 -5.257 1.00 0.00 O ATOM 0 H GLY A 606 -3.711 -3.100 -7.879 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.700 -5.300 -7.784 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -4.040 -5.442 -8.326 1.00 0.00 H new ATOM 690 N THR A 607 -3.586 -6.432 -6.066 1.00 0.00 N ATOM 691 CA THR A 607 -3.119 -6.894 -4.764 1.00 0.00 C ATOM 692 C THR A 607 -1.612 -6.704 -4.620 1.00 0.00 C ATOM 693 O THR A 607 -0.959 -7.409 -3.849 1.00 0.00 O ATOM 694 CB THR A 607 -3.460 -8.379 -4.542 1.00 0.00 C ATOM 695 OG1 THR A 607 -3.527 -9.061 -5.800 1.00 0.00 O ATOM 696 CG2 THR A 607 -4.785 -8.524 -3.810 1.00 0.00 C ATOM 0 H THR A 607 -3.352 -7.052 -6.841 1.00 0.00 H new ATOM 0 HA THR A 607 -3.631 -6.293 -4.013 1.00 0.00 H new ATOM 0 HB THR A 607 -2.674 -8.823 -3.931 1.00 0.00 H new ATOM 0 HG1 THR A 607 -3.743 -10.005 -5.649 1.00 0.00 H new ATOM 0 HG21 THR A 607 -5.006 -9.581 -3.664 1.00 0.00 H new ATOM 0 HG22 THR A 607 -4.721 -8.029 -2.841 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.579 -8.066 -4.400 1.00 0.00 H new ATOM 704 N THR A 608 -1.064 -5.750 -5.367 1.00 0.00 N ATOM 705 CA THR A 608 0.366 -5.471 -5.320 1.00 0.00 C ATOM 706 C THR A 608 0.652 -3.992 -5.550 1.00 0.00 C ATOM 707 O THR A 608 -0.196 -3.256 -6.052 1.00 0.00 O ATOM 708 CB THR A 608 1.133 -6.297 -6.371 1.00 0.00 C ATOM 709 OG1 THR A 608 0.283 -6.584 -7.487 1.00 0.00 O ATOM 710 CG2 THR A 608 1.645 -7.596 -5.769 1.00 0.00 C ATOM 0 H THR A 608 -1.589 -5.158 -6.011 1.00 0.00 H new ATOM 0 HA THR A 608 0.707 -5.751 -4.323 1.00 0.00 H new ATOM 0 HB THR A 608 1.987 -5.710 -6.709 1.00 0.00 H new ATOM 0 HG1 THR A 608 0.779 -7.108 -8.150 1.00 0.00 H new ATOM 0 HG21 THR A 608 2.183 -8.162 -6.529 1.00 0.00 H new ATOM 0 HG22 THR A 608 2.316 -7.373 -4.940 1.00 0.00 H new ATOM 0 HG23 THR A 608 0.803 -8.185 -5.406 1.00 0.00 H new ATOM 718 N ALA A 609 1.856 -3.566 -5.179 1.00 0.00 N ATOM 719 CA ALA A 609 2.268 -2.175 -5.341 1.00 0.00 C ATOM 720 C ALA A 609 3.749 -2.088 -5.690 1.00 0.00 C ATOM 721 O ALA A 609 4.541 -2.942 -5.290 1.00 0.00 O ATOM 722 CB ALA A 609 1.977 -1.387 -4.072 1.00 0.00 C ATOM 0 H ALA A 609 2.567 -4.167 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 609 1.697 -1.742 -6.162 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.289 -0.351 -4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 609 0.908 -1.419 -3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.525 -1.825 -3.238 1.00 0.00 H new ATOM 728 N THR A 610 4.119 -1.054 -6.437 1.00 0.00 N ATOM 729 CA THR A 610 5.507 -0.864 -6.836 1.00 0.00 C ATOM 730 C THR A 610 5.960 0.572 -6.592 1.00 0.00 C ATOM 731 O THR A 610 5.422 1.512 -7.177 1.00 0.00 O ATOM 732 CB THR A 610 5.719 -1.212 -8.321 1.00 0.00 C ATOM 733 OG1 THR A 610 5.020 -2.420 -8.646 1.00 0.00 O ATOM 734 CG2 THR A 610 7.199 -1.377 -8.632 1.00 0.00 C ATOM 0 H THR A 610 3.479 -0.337 -6.777 1.00 0.00 H new ATOM 0 HA THR A 610 6.105 -1.539 -6.224 1.00 0.00 H new ATOM 0 HB THR A 610 5.327 -0.393 -8.923 1.00 0.00 H new ATOM 0 HG1 THR A 610 5.158 -2.634 -9.592 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.324 -1.623 -9.687 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.723 -0.447 -8.411 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.612 -2.180 -8.021 1.00 0.00 H new ATOM 742 N ILE A 611 6.958 0.732 -5.727 1.00 0.00 N ATOM 743 CA ILE A 611 7.489 2.052 -5.407 1.00 0.00 C ATOM 744 C ILE A 611 8.770 2.322 -6.190 1.00 0.00 C ATOM 745 O ILE A 611 9.631 1.451 -6.310 1.00 0.00 O ATOM 746 CB ILE A 611 7.774 2.194 -3.896 1.00 0.00 C ATOM 747 CG1 ILE A 611 6.470 2.123 -3.098 1.00 0.00 C ATOM 748 CG2 ILE A 611 8.503 3.500 -3.607 1.00 0.00 C ATOM 749 CD1 ILE A 611 6.132 0.732 -2.609 1.00 0.00 C ATOM 0 H ILE A 611 7.415 -0.036 -5.236 1.00 0.00 H new ATOM 0 HA ILE A 611 6.731 2.783 -5.689 1.00 0.00 H new ATOM 0 HB ILE A 611 8.415 1.368 -3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 611 6.542 2.792 -2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.653 2.488 -3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 611 8.694 3.581 -2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 611 9.450 3.516 -4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.887 4.340 -3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 611 5.195 0.760 -2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.027 0.062 -3.462 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.930 0.371 -1.960 1.00 0.00 H new ATOM 761 N SER A 612 8.884 3.533 -6.725 1.00 0.00 N ATOM 762 CA SER A 612 10.056 3.919 -7.501 1.00 0.00 C ATOM 763 C SER A 612 11.023 4.743 -6.656 1.00 0.00 C ATOM 764 O SER A 612 10.843 4.881 -5.446 1.00 0.00 O ATOM 765 CB SER A 612 9.629 4.713 -8.737 1.00 0.00 C ATOM 766 OG SER A 612 10.440 4.394 -9.854 1.00 0.00 O ATOM 0 H SER A 612 8.178 4.264 -6.635 1.00 0.00 H new ATOM 0 HA SER A 612 10.569 3.012 -7.819 1.00 0.00 H new ATOM 0 HB2 SER A 612 8.586 4.498 -8.968 1.00 0.00 H new ATOM 0 HB3 SER A 612 9.696 5.781 -8.528 1.00 0.00 H new ATOM 0 HG SER A 612 10.145 4.913 -10.631 1.00 0.00 H new ATOM 772 N GLY A 613 12.052 5.287 -7.302 1.00 0.00 N ATOM 773 CA GLY A 613 13.034 6.088 -6.594 1.00 0.00 C ATOM 774 C GLY A 613 13.825 5.276 -5.587 1.00 0.00 C ATOM 775 O GLY A 613 14.722 4.519 -5.958 1.00 0.00 O ATOM 0 H GLY A 613 12.222 5.187 -8.303 1.00 0.00 H new ATOM 0 HA2 GLY A 613 13.719 6.537 -7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.529 6.906 -6.081 1.00 0.00 H new ATOM 779 N LEU A 614 13.484 5.431 -4.309 1.00 0.00 N ATOM 780 CA LEU A 614 14.155 4.708 -3.233 1.00 0.00 C ATOM 781 C LEU A 614 15.656 4.986 -3.222 1.00 0.00 C ATOM 782 O LEU A 614 16.174 5.709 -4.074 1.00 0.00 O ATOM 783 CB LEU A 614 13.895 3.209 -3.377 1.00 0.00 C ATOM 784 CG LEU A 614 13.051 2.581 -2.266 1.00 0.00 C ATOM 785 CD1 LEU A 614 11.750 3.343 -2.091 1.00 0.00 C ATOM 786 CD2 LEU A 614 12.773 1.117 -2.571 1.00 0.00 C ATOM 0 H LEU A 614 12.742 6.055 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 614 13.748 5.057 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 614 13.398 3.033 -4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 614 14.854 2.693 -3.417 1.00 0.00 H new ATOM 0 HG LEU A 614 13.612 2.638 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 614 11.163 2.882 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 614 11.967 4.378 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 614 11.185 3.316 -3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 614 12.172 0.686 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 614 12.232 1.038 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 614 13.716 0.576 -2.648 1.00 0.00 H new ATOM 798 N ALA A 615 16.348 4.407 -2.247 1.00 0.00 N ATOM 799 CA ALA A 615 17.790 4.587 -2.113 1.00 0.00 C ATOM 800 C ALA A 615 18.365 3.626 -1.078 1.00 0.00 C ATOM 801 O ALA A 615 17.864 3.538 0.043 1.00 0.00 O ATOM 802 CB ALA A 615 18.110 6.026 -1.733 1.00 0.00 C ATOM 0 H ALA A 615 15.932 3.807 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 615 18.251 4.366 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 615 19.189 6.145 -1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 615 17.738 6.698 -2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 615 17.632 6.266 -0.783 1.00 0.00 H new ATOM 808 N ALA A 616 19.415 2.909 -1.464 1.00 0.00 N ATOM 809 CA ALA A 616 20.060 1.950 -0.574 1.00 0.00 C ATOM 810 C ALA A 616 20.487 2.606 0.736 1.00 0.00 C ATOM 811 O ALA A 616 20.568 3.831 0.831 1.00 0.00 O ATOM 812 CB ALA A 616 21.261 1.321 -1.263 1.00 0.00 C ATOM 0 H ALA A 616 19.838 2.974 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 616 19.335 1.171 -0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.734 0.607 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 616 20.934 0.806 -2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 616 21.977 2.099 -1.528 1.00 0.00 H new ATOM 818 N ASP A 617 20.764 1.777 1.742 1.00 0.00 N ATOM 819 CA ASP A 617 21.189 2.266 3.051 1.00 0.00 C ATOM 820 C ASP A 617 20.144 3.198 3.659 1.00 0.00 C ATOM 821 O ASP A 617 20.482 4.129 4.391 1.00 0.00 O ATOM 822 CB ASP A 617 22.531 2.992 2.935 1.00 0.00 C ATOM 823 CG ASP A 617 23.529 2.538 3.982 1.00 0.00 C ATOM 824 OD1 ASP A 617 23.147 2.451 5.168 1.00 0.00 O ATOM 825 OD2 ASP A 617 24.692 2.267 3.616 1.00 0.00 O ATOM 0 H ASP A 617 20.701 0.761 1.674 1.00 0.00 H new ATOM 0 HA ASP A 617 21.302 1.405 3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.948 2.822 1.942 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.369 4.065 3.033 1.00 0.00 H new ATOM 830 N THR A 618 18.874 2.942 3.354 1.00 0.00 N ATOM 831 CA THR A 618 17.785 3.762 3.875 1.00 0.00 C ATOM 832 C THR A 618 16.582 2.908 4.267 1.00 0.00 C ATOM 833 O THR A 618 16.317 1.872 3.658 1.00 0.00 O ATOM 834 CB THR A 618 17.336 4.815 2.845 1.00 0.00 C ATOM 835 OG1 THR A 618 18.481 5.395 2.208 1.00 0.00 O ATOM 836 CG2 THR A 618 16.512 5.907 3.511 1.00 0.00 C ATOM 0 H THR A 618 18.575 2.176 2.751 1.00 0.00 H new ATOM 0 HA THR A 618 18.169 4.266 4.762 1.00 0.00 H new ATOM 0 HB THR A 618 16.716 4.320 2.098 1.00 0.00 H new ATOM 0 HG1 THR A 618 18.705 4.879 1.405 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.206 6.639 2.764 1.00 0.00 H new ATOM 0 HG22 THR A 618 15.627 5.466 3.970 1.00 0.00 H new ATOM 0 HG23 THR A 618 17.111 6.399 4.277 1.00 0.00 H new ATOM 844 N SER A 619 15.855 3.357 5.287 1.00 0.00 N ATOM 845 CA SER A 619 14.674 2.643 5.760 1.00 0.00 C ATOM 846 C SER A 619 13.403 3.352 5.305 1.00 0.00 C ATOM 847 O SER A 619 13.334 4.582 5.308 1.00 0.00 O ATOM 848 CB SER A 619 14.695 2.533 7.286 1.00 0.00 C ATOM 849 OG SER A 619 15.773 3.271 7.836 1.00 0.00 O ATOM 0 H SER A 619 16.064 4.213 5.802 1.00 0.00 H new ATOM 0 HA SER A 619 14.686 1.640 5.334 1.00 0.00 H new ATOM 0 HB2 SER A 619 13.753 2.901 7.693 1.00 0.00 H new ATOM 0 HB3 SER A 619 14.781 1.486 7.577 1.00 0.00 H new ATOM 0 HG SER A 619 15.763 3.186 8.812 1.00 0.00 H new ATOM 855 N TYR A 620 12.402 2.573 4.908 1.00 0.00 N ATOM 856 CA TYR A 620 11.139 3.133 4.444 1.00 0.00 C ATOM 857 C TYR A 620 9.948 2.397 5.054 1.00 0.00 C ATOM 858 O TYR A 620 9.875 1.169 5.010 1.00 0.00 O ATOM 859 CB TYR A 620 11.061 3.057 2.918 1.00 0.00 C ATOM 860 CG TYR A 620 12.167 3.808 2.209 1.00 0.00 C ATOM 861 CD1 TYR A 620 12.224 5.196 2.247 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.153 3.131 1.504 1.00 0.00 C ATOM 863 CE1 TYR A 620 13.233 5.887 1.603 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.165 3.814 0.858 1.00 0.00 C ATOM 865 CZ TYR A 620 14.198 5.186 0.899 1.00 0.00 C ATOM 866 OH TYR A 620 15.207 5.875 0.268 1.00 0.00 O ATOM 0 H TYR A 620 12.441 1.554 4.898 1.00 0.00 H new ATOM 0 HA TYR A 620 11.098 4.175 4.762 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.093 2.011 2.614 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.099 3.454 2.593 1.00 0.00 H new ATOM 0 HD1 TYR A 620 11.467 5.744 2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.128 2.052 1.460 1.00 0.00 H new ATOM 0 HE1 TYR A 620 13.269 6.965 1.648 1.00 0.00 H new ATOM 0 HE2 TYR A 620 14.929 3.270 0.322 1.00 0.00 H new ATOM 0 HH TYR A 620 15.395 6.702 0.759 1.00 0.00 H new ATOM 876 N THR A 621 9.011 3.161 5.606 1.00 0.00 N ATOM 877 CA THR A 621 7.812 2.589 6.209 1.00 0.00 C ATOM 878 C THR A 621 6.608 2.813 5.299 1.00 0.00 C ATOM 879 O THR A 621 6.134 3.940 5.148 1.00 0.00 O ATOM 880 CB THR A 621 7.525 3.200 7.593 1.00 0.00 C ATOM 881 OG1 THR A 621 7.146 4.576 7.456 1.00 0.00 O ATOM 882 CG2 THR A 621 8.746 3.097 8.495 1.00 0.00 C ATOM 0 H THR A 621 9.059 4.179 5.648 1.00 0.00 H new ATOM 0 HA THR A 621 7.987 1.521 6.336 1.00 0.00 H new ATOM 0 HB THR A 621 6.707 2.641 8.046 1.00 0.00 H new ATOM 0 HG1 THR A 621 6.634 4.693 6.629 1.00 0.00 H new ATOM 0 HG21 THR A 621 8.519 3.535 9.467 1.00 0.00 H new ATOM 0 HG22 THR A 621 9.016 2.049 8.624 1.00 0.00 H new ATOM 0 HG23 THR A 621 9.580 3.633 8.041 1.00 0.00 H new ATOM 890 N PHE A 622 6.130 1.740 4.675 1.00 0.00 N ATOM 891 CA PHE A 622 4.997 1.835 3.761 1.00 0.00 C ATOM 892 C PHE A 622 3.690 1.406 4.421 1.00 0.00 C ATOM 893 O PHE A 622 3.685 0.700 5.430 1.00 0.00 O ATOM 894 CB PHE A 622 5.247 0.978 2.520 1.00 0.00 C ATOM 895 CG PHE A 622 6.465 1.382 1.739 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.502 2.590 1.061 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.574 0.552 1.683 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.622 2.962 0.340 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.695 0.919 0.965 1.00 0.00 C ATOM 900 CZ PHE A 622 8.719 2.125 0.293 1.00 0.00 C ATOM 0 H PHE A 622 6.508 0.799 4.785 1.00 0.00 H new ATOM 0 HA PHE A 622 4.900 2.882 3.475 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.351 -0.064 2.824 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.374 1.034 1.869 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.647 3.248 1.096 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.561 -0.392 2.207 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.638 3.905 -0.185 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.552 0.263 0.929 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.595 2.413 -0.269 1.00 0.00 H new ATOM 910 N THR A 623 2.583 1.839 3.823 1.00 0.00 N ATOM 911 CA THR A 623 1.247 1.516 4.310 1.00 0.00 C ATOM 912 C THR A 623 0.250 1.570 3.158 1.00 0.00 C ATOM 913 O THR A 623 0.292 2.489 2.343 1.00 0.00 O ATOM 914 CB THR A 623 0.793 2.488 5.417 1.00 0.00 C ATOM 915 OG1 THR A 623 1.288 3.805 5.146 1.00 0.00 O ATOM 916 CG2 THR A 623 1.286 2.027 6.780 1.00 0.00 C ATOM 0 H THR A 623 2.588 2.424 2.987 1.00 0.00 H new ATOM 0 HA THR A 623 1.284 0.511 4.731 1.00 0.00 H new ATOM 0 HB THR A 623 -0.297 2.504 5.430 1.00 0.00 H new ATOM 0 HG1 THR A 623 0.994 4.417 5.853 1.00 0.00 H new ATOM 0 HG21 THR A 623 0.953 2.729 7.544 1.00 0.00 H new ATOM 0 HG22 THR A 623 0.884 1.037 6.997 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.375 1.984 6.777 1.00 0.00 H new ATOM 924 N VAL A 624 -0.639 0.586 3.080 1.00 0.00 N ATOM 925 CA VAL A 624 -1.623 0.549 2.001 1.00 0.00 C ATOM 926 C VAL A 624 -2.976 1.078 2.456 1.00 0.00 C ATOM 927 O VAL A 624 -3.321 1.006 3.635 1.00 0.00 O ATOM 928 CB VAL A 624 -1.806 -0.872 1.428 1.00 0.00 C ATOM 929 CG1 VAL A 624 -1.062 -1.012 0.109 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.342 -1.926 2.422 1.00 0.00 C ATOM 0 H VAL A 624 -0.700 -0.188 3.741 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.230 1.195 1.216 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.869 -1.030 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -1.201 -2.020 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -1.451 -0.288 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 624 0.000 -0.828 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.482 -2.918 1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.286 -1.774 2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -1.924 -1.842 3.340 1.00 0.00 H new ATOM 940 N LYS A 625 -3.729 1.623 1.507 1.00 0.00 N ATOM 941 CA LYS A 625 -5.041 2.185 1.793 1.00 0.00 C ATOM 942 C LYS A 625 -6.034 1.856 0.681 1.00 0.00 C ATOM 943 O LYS A 625 -5.725 1.999 -0.501 1.00 0.00 O ATOM 944 CB LYS A 625 -4.923 3.694 1.966 1.00 0.00 C ATOM 945 CG LYS A 625 -4.754 4.115 3.412 1.00 0.00 C ATOM 946 CD LYS A 625 -5.899 5.000 3.854 1.00 0.00 C ATOM 947 CE LYS A 625 -5.655 5.588 5.234 1.00 0.00 C ATOM 948 NZ LYS A 625 -6.552 6.743 5.512 1.00 0.00 N ATOM 0 H LYS A 625 -3.450 1.687 0.528 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.415 1.742 2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.073 4.055 1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -5.813 4.171 1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.705 3.232 4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -3.810 4.647 3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.034 5.807 3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -6.823 4.422 3.863 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -5.810 4.818 5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -4.616 5.908 5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -6.354 7.115 6.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -6.386 7.489 4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -7.543 6.433 5.461 1.00 0.00 H new ATOM 962 N ALA A 626 -7.230 1.420 1.069 1.00 0.00 N ATOM 963 CA ALA A 626 -8.268 1.077 0.103 1.00 0.00 C ATOM 964 C ALA A 626 -9.174 2.273 -0.169 1.00 0.00 C ATOM 965 O ALA A 626 -9.764 2.838 0.751 1.00 0.00 O ATOM 966 CB ALA A 626 -9.084 -0.107 0.604 1.00 0.00 C ATOM 0 H ALA A 626 -7.503 1.296 2.044 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.786 0.798 -0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -9.855 -0.353 -0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.429 -0.967 0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.553 0.150 1.554 1.00 0.00 H new ATOM 972 N LYS A 627 -9.277 2.657 -1.438 1.00 0.00 N ATOM 973 CA LYS A 627 -10.110 3.790 -1.828 1.00 0.00 C ATOM 974 C LYS A 627 -11.228 3.350 -2.767 1.00 0.00 C ATOM 975 O LYS A 627 -11.039 2.466 -3.602 1.00 0.00 O ATOM 976 CB LYS A 627 -9.257 4.868 -2.500 1.00 0.00 C ATOM 977 CG LYS A 627 -8.532 4.385 -3.744 1.00 0.00 C ATOM 978 CD LYS A 627 -7.552 5.427 -4.257 1.00 0.00 C ATOM 979 CE LYS A 627 -7.826 5.784 -5.708 1.00 0.00 C ATOM 980 NZ LYS A 627 -7.173 7.064 -6.098 1.00 0.00 N ATOM 0 H LYS A 627 -8.795 2.201 -2.213 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.562 4.203 -0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -9.895 5.710 -2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -8.524 5.238 -1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -7.998 3.461 -3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -9.258 4.153 -4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -7.619 6.324 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -6.534 5.049 -4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -7.467 4.982 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -8.902 5.863 -5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -7.384 7.272 -7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -7.534 7.834 -5.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -6.144 6.981 -5.972 1.00 0.00 H new ATOM 994 N ASP A 628 -12.393 3.972 -2.622 1.00 0.00 N ATOM 995 CA ASP A 628 -13.542 3.646 -3.457 1.00 0.00 C ATOM 996 C ASP A 628 -13.860 4.791 -4.415 1.00 0.00 C ATOM 997 O ASP A 628 -13.451 5.931 -4.193 1.00 0.00 O ATOM 998 CB ASP A 628 -14.756 3.327 -2.577 1.00 0.00 C ATOM 999 CG ASP A 628 -15.925 4.265 -2.822 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -16.736 3.977 -3.725 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -16.025 5.286 -2.109 1.00 0.00 O ATOM 0 H ASP A 628 -12.566 4.705 -1.934 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.299 2.767 -4.053 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -15.074 2.301 -2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -14.464 3.385 -1.528 1.00 0.00 H new ATOM 1006 N ALA A 629 -14.591 4.480 -5.481 1.00 0.00 N ATOM 1007 CA ALA A 629 -14.963 5.481 -6.473 1.00 0.00 C ATOM 1008 C ALA A 629 -16.216 6.239 -6.045 1.00 0.00 C ATOM 1009 O ALA A 629 -17.219 6.258 -6.760 1.00 0.00 O ATOM 1010 CB ALA A 629 -15.173 4.827 -7.830 1.00 0.00 C ATOM 0 H ALA A 629 -14.937 3.541 -5.679 1.00 0.00 H new ATOM 0 HA ALA A 629 -14.147 6.199 -6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -15.450 5.587 -8.561 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -14.251 4.339 -8.146 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -15.969 4.086 -7.757 1.00 0.00 H new ATOM 1016 N ALA A 630 -16.150 6.862 -4.873 1.00 0.00 N ATOM 1017 CA ALA A 630 -17.276 7.623 -4.345 1.00 0.00 C ATOM 1018 C ALA A 630 -16.809 8.649 -3.318 1.00 0.00 C ATOM 1019 O ALA A 630 -17.306 9.775 -3.281 1.00 0.00 O ATOM 1020 CB ALA A 630 -18.305 6.688 -3.728 1.00 0.00 C ATOM 0 H ALA A 630 -15.327 6.855 -4.270 1.00 0.00 H new ATOM 0 HA ALA A 630 -17.740 8.159 -5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.139 7.271 -3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -18.669 5.996 -4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.845 6.126 -2.916 1.00 0.00 H new ATOM 1026 N GLY A 631 -15.848 8.254 -2.487 1.00 0.00 N ATOM 1027 CA GLY A 631 -15.328 9.151 -1.471 1.00 0.00 C ATOM 1028 C GLY A 631 -15.217 8.493 -0.110 1.00 0.00 C ATOM 1029 O GLY A 631 -15.381 9.149 0.919 1.00 0.00 O ATOM 0 H GLY A 631 -15.420 7.328 -2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -14.345 9.510 -1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -15.977 10.024 -1.396 1.00 0.00 H new ATOM 1033 N ASN A 632 -14.940 7.191 -0.104 1.00 0.00 N ATOM 1034 CA ASN A 632 -14.808 6.441 1.142 1.00 0.00 C ATOM 1035 C ASN A 632 -13.440 5.772 1.237 1.00 0.00 C ATOM 1036 O ASN A 632 -13.209 4.722 0.637 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.911 5.387 1.244 1.00 0.00 C ATOM 1038 CG ASN A 632 -17.295 6.003 1.289 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -17.729 6.399 2.480 1.00 0.00 O flip ATOM 1040 ND2 ASN A 632 -17.968 6.124 0.265 1.00 0.00 N flip ATOM 0 H ASN A 632 -14.803 6.634 -0.947 1.00 0.00 H new ATOM 0 HA ASN A 632 -14.905 7.143 1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.844 4.711 0.391 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -15.754 4.786 2.140 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -17.596 5.806 -0.630 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -18.897 6.542 0.312 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.539 6.385 1.998 1.00 0.00 N ATOM 1048 CA VAL A 633 -11.194 5.848 2.177 1.00 0.00 C ATOM 1049 C VAL A 633 -11.080 5.102 3.504 1.00 0.00 C ATOM 1050 O VAL A 633 -11.265 5.685 4.573 1.00 0.00 O ATOM 1051 CB VAL A 633 -10.131 6.968 2.122 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -8.841 6.538 2.808 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -9.859 7.371 0.682 1.00 0.00 C ATOM 0 H VAL A 633 -12.716 7.255 2.501 1.00 0.00 H new ATOM 0 HA VAL A 633 -11.011 5.152 1.358 1.00 0.00 H new ATOM 0 HB VAL A 633 -10.524 7.831 2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -8.112 7.347 2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -9.045 6.304 3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -8.441 5.655 2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -9.108 8.161 0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -9.494 6.508 0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -10.780 7.734 0.226 1.00 0.00 H new ATOM 1063 N SER A 634 -10.772 3.811 3.426 1.00 0.00 N ATOM 1064 CA SER A 634 -10.632 2.985 4.620 1.00 0.00 C ATOM 1065 C SER A 634 -9.420 3.412 5.440 1.00 0.00 C ATOM 1066 O SER A 634 -8.770 4.411 5.131 1.00 0.00 O ATOM 1067 CB SER A 634 -10.506 1.511 4.232 1.00 0.00 C ATOM 1068 OG SER A 634 -9.499 1.327 3.253 1.00 0.00 O ATOM 0 H SER A 634 -10.615 3.315 2.549 1.00 0.00 H new ATOM 0 HA SER A 634 -11.525 3.119 5.231 1.00 0.00 H new ATOM 0 HB2 SER A 634 -10.271 0.918 5.116 1.00 0.00 H new ATOM 0 HB3 SER A 634 -11.460 1.149 3.849 1.00 0.00 H new ATOM 0 HG SER A 634 -8.620 1.497 3.652 1.00 0.00 H new ATOM 1074 N ALA A 635 -9.121 2.651 6.486 1.00 0.00 N ATOM 1075 CA ALA A 635 -7.989 2.950 7.353 1.00 0.00 C ATOM 1076 C ALA A 635 -6.678 2.475 6.735 1.00 0.00 C ATOM 1077 O ALA A 635 -6.676 1.708 5.771 1.00 0.00 O ATOM 1078 CB ALA A 635 -8.190 2.315 8.720 1.00 0.00 C ATOM 0 H ALA A 635 -9.649 1.820 6.754 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.932 4.032 7.470 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -7.337 2.546 9.358 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -9.100 2.709 9.174 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -8.278 1.234 8.610 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.565 2.938 7.296 1.00 0.00 N ATOM 1085 CA ALA A 636 -4.245 2.564 6.805 1.00 0.00 C ATOM 1086 C ALA A 636 -3.824 1.202 7.348 1.00 0.00 C ATOM 1087 O ALA A 636 -4.106 0.868 8.499 1.00 0.00 O ATOM 1088 CB ALA A 636 -3.223 3.627 7.182 1.00 0.00 C ATOM 0 H ALA A 636 -5.552 3.574 8.093 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.293 2.492 5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -2.241 3.336 6.809 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.510 4.581 6.740 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -3.185 3.726 8.267 1.00 0.00 H new ATOM 1094 N SER A 637 -3.145 0.420 6.513 1.00 0.00 N ATOM 1095 CA SER A 637 -2.683 -0.906 6.907 1.00 0.00 C ATOM 1096 C SER A 637 -1.485 -0.812 7.844 1.00 0.00 C ATOM 1097 O SER A 637 -0.977 0.279 8.108 1.00 0.00 O ATOM 1098 CB SER A 637 -2.312 -1.724 5.674 1.00 0.00 C ATOM 1099 OG SER A 637 -2.728 -3.071 5.809 1.00 0.00 O ATOM 0 H SER A 637 -2.903 0.683 5.558 1.00 0.00 H new ATOM 0 HA SER A 637 -3.497 -1.402 7.436 1.00 0.00 H new ATOM 0 HB2 SER A 637 -2.774 -1.285 4.790 1.00 0.00 H new ATOM 0 HB3 SER A 637 -1.233 -1.687 5.521 1.00 0.00 H new ATOM 0 HG SER A 637 -2.479 -3.572 5.004 1.00 0.00 H new ATOM 1105 N ASN A 638 -1.036 -1.960 8.341 1.00 0.00 N ATOM 1106 CA ASN A 638 0.104 -2.008 9.244 1.00 0.00 C ATOM 1107 C ASN A 638 1.347 -1.444 8.568 1.00 0.00 C ATOM 1108 O ASN A 638 1.487 -1.513 7.345 1.00 0.00 O ATOM 1109 CB ASN A 638 0.359 -3.446 9.697 1.00 0.00 C ATOM 1110 CG ASN A 638 0.993 -4.295 8.612 1.00 0.00 C ATOM 1111 OD1 ASN A 638 0.181 -4.746 7.663 1.00 0.00 O flip ATOM 1112 ND2 ASN A 638 2.199 -4.544 8.626 1.00 0.00 N flip ATOM 0 H ASN A 638 -1.446 -2.870 8.132 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.123 -1.397 10.118 1.00 0.00 H new ATOM 0 HB2 ASN A 638 1.008 -3.438 10.573 1.00 0.00 H new ATOM 0 HB3 ASN A 638 -0.584 -3.899 10.004 1.00 0.00 H new ATOM 0 HD21 ASN A 638 2.787 -4.177 9.374 1.00 0.00 H new ATOM 0 HD22 ASN A 638 2.610 -5.117 7.889 1.00 0.00 H new ATOM 1119 N ALA A 639 2.246 -0.880 9.366 1.00 0.00 N ATOM 1120 CA ALA A 639 3.474 -0.301 8.838 1.00 0.00 C ATOM 1121 C ALA A 639 4.514 -1.376 8.552 1.00 0.00 C ATOM 1122 O ALA A 639 4.702 -2.301 9.344 1.00 0.00 O ATOM 1123 CB ALA A 639 4.030 0.729 9.810 1.00 0.00 C ATOM 0 H ALA A 639 2.147 -0.812 10.379 1.00 0.00 H new ATOM 0 HA ALA A 639 3.236 0.193 7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 639 4.948 1.154 9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 639 3.297 1.522 9.958 1.00 0.00 H new ATOM 0 HB3 ALA A 639 4.244 0.250 10.765 1.00 0.00 H new ATOM 1129 N VAL A 640 5.189 -1.246 7.415 1.00 0.00 N ATOM 1130 CA VAL A 640 6.213 -2.202 7.019 1.00 0.00 C ATOM 1131 C VAL A 640 7.579 -1.531 6.931 1.00 0.00 C ATOM 1132 O VAL A 640 7.815 -0.687 6.067 1.00 0.00 O ATOM 1133 CB VAL A 640 5.878 -2.854 5.663 1.00 0.00 C ATOM 1134 CG1 VAL A 640 4.833 -3.944 5.841 1.00 0.00 C ATOM 1135 CG2 VAL A 640 5.404 -1.808 4.668 1.00 0.00 C ATOM 0 H VAL A 640 5.044 -0.486 6.751 1.00 0.00 H new ATOM 0 HA VAL A 640 6.241 -2.977 7.785 1.00 0.00 H new ATOM 0 HB VAL A 640 6.785 -3.311 5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 640 4.608 -4.394 4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 640 5.216 -4.709 6.517 1.00 0.00 H new ATOM 0 HG13 VAL A 640 3.924 -3.512 6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 640 5.173 -2.289 3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 640 4.510 -1.318 5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 640 6.189 -1.066 4.518 1.00 0.00 H new ATOM 1145 N SER A 641 8.477 -1.907 7.836 1.00 0.00 N ATOM 1146 CA SER A 641 9.818 -1.339 7.865 1.00 0.00 C ATOM 1147 C SER A 641 10.769 -2.140 6.983 1.00 0.00 C ATOM 1148 O SER A 641 11.131 -3.271 7.310 1.00 0.00 O ATOM 1149 CB SER A 641 10.348 -1.296 9.299 1.00 0.00 C ATOM 1150 OG SER A 641 11.734 -1.002 9.324 1.00 0.00 O ATOM 0 H SER A 641 8.299 -2.604 8.559 1.00 0.00 H new ATOM 0 HA SER A 641 9.761 -0.322 7.476 1.00 0.00 H new ATOM 0 HB2 SER A 641 9.803 -0.543 9.868 1.00 0.00 H new ATOM 0 HB3 SER A 641 10.168 -2.255 9.785 1.00 0.00 H new ATOM 0 HG SER A 641 12.047 -0.979 10.252 1.00 0.00 H new ATOM 1156 N VAL A 642 11.170 -1.546 5.864 1.00 0.00 N ATOM 1157 CA VAL A 642 12.078 -2.203 4.932 1.00 0.00 C ATOM 1158 C VAL A 642 13.373 -1.412 4.776 1.00 0.00 C ATOM 1159 O VAL A 642 13.368 -0.182 4.801 1.00 0.00 O ATOM 1160 CB VAL A 642 11.431 -2.381 3.545 1.00 0.00 C ATOM 1161 CG1 VAL A 642 10.434 -3.528 3.566 1.00 0.00 C ATOM 1162 CG2 VAL A 642 10.761 -1.090 3.098 1.00 0.00 C ATOM 0 H VAL A 642 10.880 -0.610 5.581 1.00 0.00 H new ATOM 0 HA VAL A 642 12.301 -3.185 5.350 1.00 0.00 H new ATOM 0 HB VAL A 642 12.214 -2.623 2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 642 9.987 -3.639 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 642 10.947 -4.451 3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 642 9.653 -3.318 4.296 1.00 0.00 H new ATOM 0 HG21 VAL A 642 10.310 -1.235 2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 642 9.988 -0.814 3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 642 11.504 -0.295 3.041 1.00 0.00 H new ATOM 1172 N LYS A 643 14.480 -2.129 4.614 1.00 0.00 N ATOM 1173 CA LYS A 643 15.784 -1.496 4.453 1.00 0.00 C ATOM 1174 C LYS A 643 16.464 -1.971 3.171 1.00 0.00 C ATOM 1175 O LYS A 643 16.723 -3.161 3.001 1.00 0.00 O ATOM 1176 CB LYS A 643 16.676 -1.799 5.659 1.00 0.00 C ATOM 1177 CG LYS A 643 16.392 -0.920 6.866 1.00 0.00 C ATOM 1178 CD LYS A 643 17.383 0.230 6.965 1.00 0.00 C ATOM 1179 CE LYS A 643 18.767 -0.256 7.364 1.00 0.00 C ATOM 1180 NZ LYS A 643 18.811 -0.705 8.783 1.00 0.00 N ATOM 0 H LYS A 643 14.500 -3.149 4.591 1.00 0.00 H new ATOM 0 HA LYS A 643 15.631 -0.419 4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 643 16.546 -2.843 5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 643 17.719 -1.675 5.368 1.00 0.00 H new ATOM 0 HG2 LYS A 643 15.379 -0.524 6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 643 16.439 -1.521 7.774 1.00 0.00 H new ATOM 0 HD2 LYS A 643 17.440 0.745 6.006 1.00 0.00 H new ATOM 0 HD3 LYS A 643 17.027 0.956 7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 643 19.064 -1.079 6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 643 19.490 0.546 7.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 19.801 -0.835 9.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 18.362 0.012 9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 18.301 -1.606 8.878 1.00 0.00 H new ATOM 1194 N THR A 644 16.747 -1.030 2.275 1.00 0.00 N ATOM 1195 CA THR A 644 17.396 -1.352 1.009 1.00 0.00 C ATOM 1196 C THR A 644 18.914 -1.337 1.150 1.00 0.00 C ATOM 1197 O THR A 644 19.605 -1.343 0.109 1.00 0.00 O ATOM 1198 CB THR A 644 16.985 -0.364 -0.099 1.00 0.00 C ATOM 1199 OG1 THR A 644 17.211 0.981 0.339 1.00 0.00 O ATOM 1200 CG2 THR A 644 15.521 -0.542 -0.468 1.00 0.00 C ATOM 1201 OXT THR A 644 19.401 -1.319 2.300 1.00 0.00 O ATOM 0 H THR A 644 16.537 -0.040 2.402 1.00 0.00 H new ATOM 0 HA THR A 644 17.070 -2.354 0.732 1.00 0.00 H new ATOM 0 HB THR A 644 17.592 -0.567 -0.981 1.00 0.00 H new ATOM 0 HG1 THR A 644 16.553 1.576 -0.078 1.00 0.00 H new ATOM 0 HG21 THR A 644 15.255 0.167 -1.252 1.00 0.00 H new ATOM 0 HG22 THR A 644 15.357 -1.558 -0.826 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.900 -0.362 0.410 1.00 0.00 H new TER 1209 THR A 644