USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=36 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 561 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 583 SER OG : rot 180:sc= -0.186 USER MOD Set 1.3: A 584 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 572 THR OG1 : rot -2:sc= 1.98 USER MOD Set 2.2: A 574 SER OG : rot 180:sc= -0.0417 USER MOD Set 2.3: A 575 SER OG : rot 52:sc= 0.965 USER MOD Single : A 557 HIS : no HE2:sc= -0.104 K(o=-0.1,f=-0.75) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 564 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 565 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.9!) USER MOD Single : A 568 SER OG : rot 180:sc= 0 USER MOD Single : A 569 THR OG1 : rot 180:sc= 0.208 USER MOD Single : A 571 GLN :FLIP amide:sc= -1.46 F(o=-2.7!,f=-1.5) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0.067 USER MOD Single : A 577 THR OG1 : rot 180:sc= 0 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 581 THR OG1 : rot 81:sc= 0.318 USER MOD Single : A 586 ASN : amide:sc= -0.396 X(o=-0.4,f=-0.42) USER MOD Single : A 590 THR OG1 : rot 180:sc= 0 USER MOD Single : A 592 TYR OH : rot 30:sc= 0.0853 USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 596 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.088) USER MOD Single : A 598 THR OG1 : rot 37:sc= 0.235 USER MOD Single : A 602 THR OG1 : rot 154:sc= -0.08 USER MOD Single : A 603 THR OG1 : rot 180:sc= -0.0495 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 104:sc= 0.377 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 TYR OH : rot 168:sc= 0.17 USER MOD Single : A 621 THR OG1 : rot 180:sc= 0 USER MOD Single : A 623 THR OG1 : rot 180:sc= -0.0927 USER MOD Single : A 625 LYS NZ :NH3+ 172:sc= 0.883 (180deg=0.825) USER MOD Single : A 627 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 632 ASN : amide:sc= -2.28! C(o=-2.3!,f=-7.3!) USER MOD Single : A 634 SER OG : rot 70:sc= -2.04! USER MOD Single : A 637 SER OG : rot 170:sc= -0.67 USER MOD Single : A 638 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.068) USER MOD Single : A 641 SER OG : rot 180:sc= 0.0228 USER MOD Single : A 643 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 644 THR OG1 : rot 154:sc= 0.753 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 557 -18.376 8.919 4.773 1.00 0.00 N ATOM 2 CA HIS A 557 -18.496 7.766 5.702 1.00 0.00 C ATOM 3 C HIS A 557 -18.637 6.455 4.938 1.00 0.00 C ATOM 4 O HIS A 557 -18.473 6.417 3.718 1.00 0.00 O ATOM 5 CB HIS A 557 -19.716 7.989 6.600 1.00 0.00 C ATOM 6 CG HIS A 557 -19.589 9.180 7.497 1.00 0.00 C ATOM 7 ND1 HIS A 557 -18.528 10.059 7.435 1.00 0.00 N ATOM 8 CD2 HIS A 557 -20.397 9.639 8.483 1.00 0.00 C ATOM 9 CE1 HIS A 557 -18.687 11.005 8.343 1.00 0.00 C ATOM 10 NE2 HIS A 557 -19.813 10.773 8.992 1.00 0.00 N ATOM 0 HA HIS A 557 -17.592 7.697 6.306 1.00 0.00 H new ATOM 0 HB2 HIS A 557 -20.600 8.108 5.974 1.00 0.00 H new ATOM 0 HB3 HIS A 557 -19.875 7.100 7.210 1.00 0.00 H new ATOM 0 HD1 HIS A 557 -17.742 9.989 6.788 1.00 0.00 H new ATOM 0 HD2 HIS A 557 -21.327 9.196 8.808 1.00 0.00 H new ATOM 0 HE1 HIS A 557 -18.011 11.828 8.524 1.00 0.00 H new ATOM 21 N MET A 558 -18.941 5.381 5.664 1.00 0.00 N ATOM 22 CA MET A 558 -19.103 4.064 5.058 1.00 0.00 C ATOM 23 C MET A 558 -17.858 3.673 4.267 1.00 0.00 C ATOM 24 O MET A 558 -17.954 3.105 3.179 1.00 0.00 O ATOM 25 CB MET A 558 -20.333 4.043 4.147 1.00 0.00 C ATOM 26 CG MET A 558 -21.374 3.011 4.551 1.00 0.00 C ATOM 27 SD MET A 558 -22.250 3.460 6.063 1.00 0.00 S ATOM 28 CE MET A 558 -23.950 3.384 5.503 1.00 0.00 C ATOM 0 H MET A 558 -19.080 5.399 6.674 1.00 0.00 H new ATOM 0 HA MET A 558 -19.245 3.338 5.859 1.00 0.00 H new ATOM 0 HB2 MET A 558 -20.793 5.031 4.150 1.00 0.00 H new ATOM 0 HB3 MET A 558 -20.014 3.843 3.124 1.00 0.00 H new ATOM 0 HG2 MET A 558 -22.094 2.891 3.741 1.00 0.00 H new ATOM 0 HG3 MET A 558 -20.887 2.046 4.691 1.00 0.00 H new ATOM 0 HE1 MET A 558 -24.616 3.637 6.328 1.00 0.00 H new ATOM 0 HE2 MET A 558 -24.096 4.092 4.687 1.00 0.00 H new ATOM 0 HE3 MET A 558 -24.173 2.376 5.153 1.00 0.00 H new ATOM 38 N ALA A 559 -16.691 3.982 4.824 1.00 0.00 N ATOM 39 CA ALA A 559 -15.425 3.663 4.177 1.00 0.00 C ATOM 40 C ALA A 559 -15.279 2.158 3.973 1.00 0.00 C ATOM 41 O ALA A 559 -15.851 1.367 4.723 1.00 0.00 O ATOM 42 CB ALA A 559 -14.264 4.203 4.999 1.00 0.00 C ATOM 0 H ALA A 559 -16.597 4.454 5.723 1.00 0.00 H new ATOM 0 HA ALA A 559 -15.413 4.139 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -13.324 3.958 4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -14.355 5.285 5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -14.280 3.753 5.992 1.00 0.00 H new ATOM 48 N PRO A 560 -14.508 1.736 2.954 1.00 0.00 N ATOM 49 CA PRO A 560 -14.294 0.314 2.667 1.00 0.00 C ATOM 50 C PRO A 560 -13.466 -0.377 3.745 1.00 0.00 C ATOM 51 O PRO A 560 -13.215 0.191 4.808 1.00 0.00 O ATOM 52 CB PRO A 560 -13.540 0.328 1.337 1.00 0.00 C ATOM 53 CG PRO A 560 -12.862 1.653 1.298 1.00 0.00 C ATOM 54 CD PRO A 560 -13.782 2.606 2.008 1.00 0.00 C ATOM 0 HA PRO A 560 -15.232 -0.240 2.632 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.819 -0.487 1.283 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -14.221 0.207 0.495 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -11.890 1.609 1.789 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.686 1.972 0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -13.228 3.389 2.526 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.461 3.101 1.314 1.00 0.00 H new ATOM 62 N THR A 561 -13.047 -1.608 3.466 1.00 0.00 N ATOM 63 CA THR A 561 -12.249 -2.377 4.414 1.00 0.00 C ATOM 64 C THR A 561 -10.763 -2.080 4.248 1.00 0.00 C ATOM 65 O THR A 561 -10.192 -2.295 3.178 1.00 0.00 O ATOM 66 CB THR A 561 -12.479 -3.892 4.246 1.00 0.00 C ATOM 67 OG1 THR A 561 -13.873 -4.193 4.372 1.00 0.00 O ATOM 68 CG2 THR A 561 -11.691 -4.680 5.285 1.00 0.00 C ATOM 0 H THR A 561 -13.247 -2.094 2.592 1.00 0.00 H new ATOM 0 HA THR A 561 -12.569 -2.077 5.412 1.00 0.00 H new ATOM 0 HB THR A 561 -12.132 -4.180 3.254 1.00 0.00 H new ATOM 0 HG1 THR A 561 -14.011 -5.157 4.262 1.00 0.00 H new ATOM 0 HG21 THR A 561 -11.870 -5.746 5.146 1.00 0.00 H new ATOM 0 HG22 THR A 561 -10.627 -4.472 5.169 1.00 0.00 H new ATOM 0 HG23 THR A 561 -12.011 -4.386 6.285 1.00 0.00 H new ATOM 76 N ALA A 562 -10.143 -1.586 5.314 1.00 0.00 N ATOM 77 CA ALA A 562 -8.724 -1.259 5.293 1.00 0.00 C ATOM 78 C ALA A 562 -7.876 -2.506 5.057 1.00 0.00 C ATOM 79 O ALA A 562 -8.048 -3.517 5.739 1.00 0.00 O ATOM 80 CB ALA A 562 -8.322 -0.588 6.597 1.00 0.00 C ATOM 0 H ALA A 562 -10.603 -1.403 6.206 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.546 -0.569 4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -7.259 -0.348 6.570 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -8.898 0.328 6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.521 -1.263 7.430 1.00 0.00 H new ATOM 86 N PRO A 563 -6.944 -2.452 4.085 1.00 0.00 N ATOM 87 CA PRO A 563 -6.064 -3.583 3.767 1.00 0.00 C ATOM 88 C PRO A 563 -5.428 -4.186 5.015 1.00 0.00 C ATOM 89 O PRO A 563 -5.369 -3.544 6.064 1.00 0.00 O ATOM 90 CB PRO A 563 -4.992 -2.954 2.877 1.00 0.00 C ATOM 91 CG PRO A 563 -5.668 -1.798 2.228 1.00 0.00 C ATOM 92 CD PRO A 563 -6.674 -1.283 3.224 1.00 0.00 C ATOM 0 HA PRO A 563 -6.605 -4.403 3.295 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.131 -2.631 3.462 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.625 -3.665 2.136 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -4.948 -1.023 1.967 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -6.158 -2.103 1.303 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -6.277 -0.446 3.798 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.580 -0.930 2.732 1.00 0.00 H new ATOM 100 N THR A 564 -4.952 -5.420 4.896 1.00 0.00 N ATOM 101 CA THR A 564 -4.321 -6.103 6.019 1.00 0.00 C ATOM 102 C THR A 564 -3.184 -7.005 5.551 1.00 0.00 C ATOM 103 O THR A 564 -3.083 -7.331 4.368 1.00 0.00 O ATOM 104 CB THR A 564 -5.338 -6.944 6.807 1.00 0.00 C ATOM 105 OG1 THR A 564 -4.683 -7.631 7.880 1.00 0.00 O ATOM 106 CG2 THR A 564 -6.023 -7.950 5.898 1.00 0.00 C ATOM 0 H THR A 564 -4.991 -5.967 4.036 1.00 0.00 H new ATOM 0 HA THR A 564 -3.918 -5.328 6.671 1.00 0.00 H new ATOM 0 HB THR A 564 -6.093 -6.272 7.216 1.00 0.00 H new ATOM 0 HG1 THR A 564 -5.339 -8.163 8.377 1.00 0.00 H new ATOM 0 HG21 THR A 564 -6.739 -8.535 6.476 1.00 0.00 H new ATOM 0 HG22 THR A 564 -6.546 -7.423 5.100 1.00 0.00 H new ATOM 0 HG23 THR A 564 -5.277 -8.616 5.464 1.00 0.00 H new ATOM 114 N ASN A 565 -2.334 -7.407 6.493 1.00 0.00 N ATOM 115 CA ASN A 565 -1.201 -8.278 6.194 1.00 0.00 C ATOM 116 C ASN A 565 -0.255 -7.645 5.177 1.00 0.00 C ATOM 117 O ASN A 565 0.347 -8.345 4.362 1.00 0.00 O ATOM 118 CB ASN A 565 -1.690 -9.630 5.675 1.00 0.00 C ATOM 119 CG ASN A 565 -0.657 -10.726 5.853 1.00 0.00 C ATOM 120 OD1 ASN A 565 0.365 -10.532 6.510 1.00 0.00 O ATOM 121 ND2 ASN A 565 -0.920 -11.887 5.264 1.00 0.00 N ATOM 0 H ASN A 565 -2.410 -7.141 7.475 1.00 0.00 H new ATOM 0 HA ASN A 565 -0.649 -8.425 7.122 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -2.605 -9.908 6.199 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -1.943 -9.541 4.618 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -0.262 -12.662 5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -1.780 -12.004 4.729 1.00 0.00 H new ATOM 128 N LEU A 566 -0.115 -6.322 5.233 1.00 0.00 N ATOM 129 CA LEU A 566 0.778 -5.619 4.316 1.00 0.00 C ATOM 130 C LEU A 566 2.218 -6.071 4.539 1.00 0.00 C ATOM 131 O LEU A 566 2.763 -5.914 5.631 1.00 0.00 O ATOM 132 CB LEU A 566 0.663 -4.096 4.501 1.00 0.00 C ATOM 133 CG LEU A 566 1.586 -3.238 3.617 1.00 0.00 C ATOM 134 CD1 LEU A 566 2.947 -3.097 4.254 1.00 0.00 C ATOM 135 CD2 LEU A 566 1.700 -3.818 2.213 1.00 0.00 C ATOM 0 H LEU A 566 -0.603 -5.721 5.897 1.00 0.00 H new ATOM 0 HA LEU A 566 0.484 -5.861 3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -0.369 -3.803 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 566 0.870 -3.860 5.545 1.00 0.00 H new ATOM 0 HG LEU A 566 1.143 -2.246 3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 566 3.586 -2.487 3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 566 2.845 -2.618 5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 566 3.394 -4.083 4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 566 2.358 -3.190 1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 566 2.111 -4.826 2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 566 0.713 -3.853 1.753 1.00 0.00 H new ATOM 147 N ALA A 567 2.828 -6.634 3.501 1.00 0.00 N ATOM 148 CA ALA A 567 4.202 -7.109 3.596 1.00 0.00 C ATOM 149 C ALA A 567 4.932 -6.964 2.266 1.00 0.00 C ATOM 150 O ALA A 567 4.318 -6.999 1.201 1.00 0.00 O ATOM 151 CB ALA A 567 4.230 -8.558 4.057 1.00 0.00 C ATOM 0 H ALA A 567 2.394 -6.772 2.588 1.00 0.00 H new ATOM 0 HA ALA A 567 4.719 -6.493 4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 567 5.263 -8.899 4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.758 -8.637 5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.689 -9.178 3.342 1.00 0.00 H new ATOM 157 N SER A 568 6.251 -6.804 2.338 1.00 0.00 N ATOM 158 CA SER A 568 7.072 -6.655 1.143 1.00 0.00 C ATOM 159 C SER A 568 7.627 -8.004 0.698 1.00 0.00 C ATOM 160 O SER A 568 8.070 -8.806 1.522 1.00 0.00 O ATOM 161 CB SER A 568 8.221 -5.679 1.405 1.00 0.00 C ATOM 162 OG SER A 568 9.348 -6.349 1.944 1.00 0.00 O ATOM 0 H SER A 568 6.773 -6.774 3.214 1.00 0.00 H new ATOM 0 HA SER A 568 6.444 -6.257 0.346 1.00 0.00 H new ATOM 0 HB2 SER A 568 8.500 -5.183 0.475 1.00 0.00 H new ATOM 0 HB3 SER A 568 7.892 -4.902 2.095 1.00 0.00 H new ATOM 0 HG SER A 568 10.068 -5.703 2.101 1.00 0.00 H new ATOM 168 N THR A 569 7.604 -8.247 -0.608 1.00 0.00 N ATOM 169 CA THR A 569 8.107 -9.497 -1.162 1.00 0.00 C ATOM 170 C THR A 569 9.431 -9.278 -1.888 1.00 0.00 C ATOM 171 O THR A 569 10.503 -9.417 -1.297 1.00 0.00 O ATOM 172 CB THR A 569 7.090 -10.132 -2.131 1.00 0.00 C ATOM 173 OG1 THR A 569 6.491 -9.119 -2.948 1.00 0.00 O ATOM 174 CG2 THR A 569 6.007 -10.879 -1.367 1.00 0.00 C ATOM 0 H THR A 569 7.242 -7.594 -1.303 1.00 0.00 H new ATOM 0 HA THR A 569 8.265 -10.178 -0.326 1.00 0.00 H new ATOM 0 HB THR A 569 7.622 -10.842 -2.765 1.00 0.00 H new ATOM 0 HG1 THR A 569 5.848 -9.532 -3.561 1.00 0.00 H new ATOM 0 HG21 THR A 569 5.301 -11.318 -2.072 1.00 0.00 H new ATOM 0 HG22 THR A 569 6.462 -11.669 -0.770 1.00 0.00 H new ATOM 0 HG23 THR A 569 5.480 -10.186 -0.711 1.00 0.00 H new ATOM 182 N ALA A 570 9.353 -8.926 -3.168 1.00 0.00 N ATOM 183 CA ALA A 570 10.547 -8.680 -3.970 1.00 0.00 C ATOM 184 C ALA A 570 10.956 -7.213 -3.900 1.00 0.00 C ATOM 185 O ALA A 570 10.289 -6.346 -4.465 1.00 0.00 O ATOM 186 CB ALA A 570 10.310 -9.097 -5.413 1.00 0.00 C ATOM 0 H ALA A 570 8.475 -8.805 -3.672 1.00 0.00 H new ATOM 0 HA ALA A 570 11.361 -9.279 -3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.209 -8.907 -5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 570 10.070 -10.160 -5.450 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.480 -8.523 -5.826 1.00 0.00 H new ATOM 192 N GLN A 571 12.055 -6.939 -3.202 1.00 0.00 N ATOM 193 CA GLN A 571 12.549 -5.574 -3.058 1.00 0.00 C ATOM 194 C GLN A 571 13.985 -5.453 -3.558 1.00 0.00 C ATOM 195 O GLN A 571 14.835 -6.288 -3.246 1.00 0.00 O ATOM 196 CB GLN A 571 12.465 -5.134 -1.594 1.00 0.00 C ATOM 197 CG GLN A 571 13.119 -3.790 -1.317 1.00 0.00 C ATOM 198 CD GLN A 571 14.016 -3.820 -0.095 1.00 0.00 C ATOM 199 OE1 GLN A 571 13.409 -3.936 1.080 1.00 0.00 O flip ATOM 200 NE2 GLN A 571 15.239 -3.742 -0.207 1.00 0.00 N flip ATOM 0 H GLN A 571 12.619 -7.644 -2.728 1.00 0.00 H new ATOM 0 HA GLN A 571 11.921 -4.922 -3.665 1.00 0.00 H new ATOM 0 HB2 GLN A 571 11.417 -5.085 -1.299 1.00 0.00 H new ATOM 0 HB3 GLN A 571 12.937 -5.892 -0.969 1.00 0.00 H new ATOM 0 HG2 GLN A 571 13.704 -3.489 -2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 571 12.345 -3.035 -1.177 1.00 0.00 H new ATOM 0 HE21 GLN A 571 15.662 -3.654 -1.131 1.00 0.00 H new ATOM 0 HE22 GLN A 571 15.830 -3.765 0.624 1.00 0.00 H new ATOM 209 N THR A 572 14.248 -4.406 -4.334 1.00 0.00 N ATOM 210 CA THR A 572 15.582 -4.169 -4.876 1.00 0.00 C ATOM 211 C THR A 572 16.243 -2.976 -4.191 1.00 0.00 C ATOM 212 O THR A 572 15.882 -2.616 -3.071 1.00 0.00 O ATOM 213 CB THR A 572 15.537 -3.918 -6.396 1.00 0.00 C ATOM 214 OG1 THR A 572 14.560 -2.916 -6.704 1.00 0.00 O ATOM 215 CG2 THR A 572 15.209 -5.199 -7.147 1.00 0.00 C ATOM 0 H THR A 572 13.555 -3.708 -4.602 1.00 0.00 H new ATOM 0 HA THR A 572 16.168 -5.068 -4.685 1.00 0.00 H new ATOM 0 HB THR A 572 16.521 -3.571 -6.710 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.115 -2.628 -5.879 1.00 0.00 H new ATOM 0 HG21 THR A 572 15.183 -4.997 -8.218 1.00 0.00 H new ATOM 0 HG22 THR A 572 15.972 -5.949 -6.938 1.00 0.00 H new ATOM 0 HG23 THR A 572 14.237 -5.571 -6.824 1.00 0.00 H new ATOM 223 N THR A 573 17.212 -2.368 -4.867 1.00 0.00 N ATOM 224 CA THR A 573 17.922 -1.220 -4.318 1.00 0.00 C ATOM 225 C THR A 573 17.255 0.091 -4.724 1.00 0.00 C ATOM 226 O THR A 573 17.573 1.152 -4.184 1.00 0.00 O ATOM 227 CB THR A 573 19.390 -1.195 -4.777 1.00 0.00 C ATOM 228 OG1 THR A 573 19.528 -1.897 -6.018 1.00 0.00 O ATOM 229 CG2 THR A 573 20.296 -1.826 -3.731 1.00 0.00 C ATOM 0 H THR A 573 17.523 -2.652 -5.796 1.00 0.00 H new ATOM 0 HA THR A 573 17.887 -1.321 -3.233 1.00 0.00 H new ATOM 0 HB THR A 573 19.686 -0.155 -4.912 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.465 -1.875 -6.304 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.329 -1.796 -4.079 1.00 0.00 H new ATOM 0 HG22 THR A 573 20.212 -1.273 -2.796 1.00 0.00 H new ATOM 0 HG23 THR A 573 19.998 -2.862 -3.568 1.00 0.00 H new ATOM 237 N SER A 574 16.333 0.015 -5.680 1.00 0.00 N ATOM 238 CA SER A 574 15.629 1.201 -6.157 1.00 0.00 C ATOM 239 C SER A 574 14.120 0.976 -6.185 1.00 0.00 C ATOM 240 O SER A 574 13.349 1.833 -5.757 1.00 0.00 O ATOM 241 CB SER A 574 16.125 1.584 -7.552 1.00 0.00 C ATOM 242 OG SER A 574 15.809 0.578 -8.500 1.00 0.00 O ATOM 0 H SER A 574 16.057 -0.853 -6.138 1.00 0.00 H new ATOM 0 HA SER A 574 15.838 2.016 -5.464 1.00 0.00 H new ATOM 0 HB2 SER A 574 15.673 2.529 -7.855 1.00 0.00 H new ATOM 0 HB3 SER A 574 17.204 1.739 -7.528 1.00 0.00 H new ATOM 0 HG SER A 574 16.135 0.847 -9.384 1.00 0.00 H new ATOM 248 N SER A 575 13.705 -0.180 -6.695 1.00 0.00 N ATOM 249 CA SER A 575 12.287 -0.513 -6.780 1.00 0.00 C ATOM 250 C SER A 575 11.881 -1.468 -5.662 1.00 0.00 C ATOM 251 O SER A 575 12.731 -1.990 -4.940 1.00 0.00 O ATOM 252 CB SER A 575 11.970 -1.137 -8.139 1.00 0.00 C ATOM 253 OG SER A 575 13.140 -1.656 -8.747 1.00 0.00 O ATOM 0 H SER A 575 14.330 -0.901 -7.055 1.00 0.00 H new ATOM 0 HA SER A 575 11.717 0.409 -6.668 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.237 -1.934 -8.015 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.519 -0.388 -8.790 1.00 0.00 H new ATOM 0 HG SER A 575 13.603 -2.245 -8.115 1.00 0.00 H new ATOM 259 N ILE A 576 10.577 -1.691 -5.525 1.00 0.00 N ATOM 260 CA ILE A 576 10.056 -2.584 -4.496 1.00 0.00 C ATOM 261 C ILE A 576 8.640 -3.046 -4.831 1.00 0.00 C ATOM 262 O ILE A 576 7.855 -2.301 -5.418 1.00 0.00 O ATOM 263 CB ILE A 576 10.054 -1.905 -3.110 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.521 -2.866 -2.043 1.00 0.00 C ATOM 265 CG2 ILE A 576 9.227 -0.628 -3.145 1.00 0.00 C ATOM 266 CD1 ILE A 576 9.671 -2.350 -0.627 1.00 0.00 C ATOM 0 H ILE A 576 9.862 -1.265 -6.114 1.00 0.00 H new ATOM 0 HA ILE A 576 10.717 -3.450 -4.465 1.00 0.00 H new ATOM 0 HB ILE A 576 11.080 -1.642 -2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.467 -3.063 -2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.045 -3.818 -2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 576 9.236 -0.162 -2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.651 0.060 -3.876 1.00 0.00 H new ATOM 0 HG23 ILE A 576 8.201 -0.867 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.272 -3.085 0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 576 10.726 -2.180 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 576 9.124 -1.413 -0.521 1.00 0.00 H new ATOM 278 N THR A 577 8.320 -4.280 -4.451 1.00 0.00 N ATOM 279 CA THR A 577 6.998 -4.845 -4.704 1.00 0.00 C ATOM 280 C THR A 577 6.296 -5.189 -3.395 1.00 0.00 C ATOM 281 O THR A 577 6.734 -6.075 -2.660 1.00 0.00 O ATOM 282 CB THR A 577 7.084 -6.110 -5.580 1.00 0.00 C ATOM 283 OG1 THR A 577 7.706 -5.798 -6.831 1.00 0.00 O ATOM 284 CG2 THR A 577 5.700 -6.694 -5.830 1.00 0.00 C ATOM 0 H THR A 577 8.960 -4.909 -3.966 1.00 0.00 H new ATOM 0 HA THR A 577 6.423 -4.088 -5.236 1.00 0.00 H new ATOM 0 HB THR A 577 7.683 -6.850 -5.049 1.00 0.00 H new ATOM 0 HG1 THR A 577 7.758 -6.607 -7.381 1.00 0.00 H new ATOM 0 HG21 THR A 577 5.788 -7.586 -6.451 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.239 -6.958 -4.878 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.081 -5.956 -6.340 1.00 0.00 H new ATOM 292 N LEU A 578 5.209 -4.483 -3.110 1.00 0.00 N ATOM 293 CA LEU A 578 4.446 -4.711 -1.889 1.00 0.00 C ATOM 294 C LEU A 578 3.190 -5.528 -2.172 1.00 0.00 C ATOM 295 O LEU A 578 2.493 -5.293 -3.159 1.00 0.00 O ATOM 296 CB LEU A 578 4.060 -3.379 -1.245 1.00 0.00 C ATOM 297 CG LEU A 578 5.050 -2.835 -0.214 1.00 0.00 C ATOM 298 CD1 LEU A 578 4.758 -1.373 0.079 1.00 0.00 C ATOM 299 CD2 LEU A 578 4.994 -3.653 1.069 1.00 0.00 C ATOM 0 H LEU A 578 4.835 -3.747 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 578 5.078 -5.273 -1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 578 3.938 -2.636 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 578 3.089 -3.496 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 578 6.055 -2.914 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 578 5.471 -1.000 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 578 4.847 -0.793 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 578 3.746 -1.276 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 578 5.706 -3.249 1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 578 3.988 -3.606 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 578 5.248 -4.690 0.850 1.00 0.00 H new ATOM 311 N SER A 579 2.907 -6.482 -1.293 1.00 0.00 N ATOM 312 CA SER A 579 1.733 -7.335 -1.434 1.00 0.00 C ATOM 313 C SER A 579 0.886 -7.290 -0.165 1.00 0.00 C ATOM 314 O SER A 579 1.419 -7.205 0.942 1.00 0.00 O ATOM 315 CB SER A 579 2.155 -8.774 -1.734 1.00 0.00 C ATOM 316 OG SER A 579 2.569 -9.441 -0.553 1.00 0.00 O ATOM 0 H SER A 579 3.477 -6.685 -0.472 1.00 0.00 H new ATOM 0 HA SER A 579 1.135 -6.964 -2.266 1.00 0.00 H new ATOM 0 HB2 SER A 579 1.323 -9.313 -2.187 1.00 0.00 H new ATOM 0 HB3 SER A 579 2.968 -8.774 -2.460 1.00 0.00 H new ATOM 0 HG SER A 579 2.832 -10.359 -0.771 1.00 0.00 H new ATOM 322 N TRP A 580 -0.432 -7.341 -0.329 1.00 0.00 N ATOM 323 CA TRP A 580 -1.345 -7.299 0.810 1.00 0.00 C ATOM 324 C TRP A 580 -2.679 -7.957 0.470 1.00 0.00 C ATOM 325 O TRP A 580 -2.952 -8.269 -0.689 1.00 0.00 O ATOM 326 CB TRP A 580 -1.578 -5.852 1.248 1.00 0.00 C ATOM 327 CG TRP A 580 -2.247 -5.020 0.197 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.588 -4.800 0.055 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.607 -4.300 -0.861 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.820 -3.989 -1.029 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.619 -3.667 -1.607 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.276 -4.127 -1.251 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.342 -2.878 -2.720 1.00 0.00 C ATOM 334 CZ3 TRP A 580 -0.001 -3.343 -2.355 1.00 0.00 C ATOM 335 CH2 TRP A 580 -1.030 -2.725 -3.077 1.00 0.00 C ATOM 0 H TRP A 580 -0.892 -7.411 -1.237 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.886 -7.854 1.628 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.189 -5.846 2.151 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.621 -5.399 1.507 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.353 -5.205 0.701 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.736 -3.677 -1.351 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.524 -4.598 -0.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -3.134 -2.404 -3.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.024 -3.204 -2.666 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.783 -2.115 -3.933 1.00 0.00 H new ATOM 346 N THR A 581 -3.506 -8.165 1.491 1.00 0.00 N ATOM 347 CA THR A 581 -4.813 -8.785 1.307 1.00 0.00 C ATOM 348 C THR A 581 -5.863 -7.757 0.900 1.00 0.00 C ATOM 349 O THR A 581 -5.891 -6.642 1.421 1.00 0.00 O ATOM 350 CB THR A 581 -5.283 -9.500 2.587 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.150 -9.923 3.356 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.149 -10.703 2.248 1.00 0.00 C ATOM 0 H THR A 581 -3.293 -7.912 2.456 1.00 0.00 H new ATOM 0 HA THR A 581 -4.700 -9.519 0.509 1.00 0.00 H new ATOM 0 HB THR A 581 -5.877 -8.798 3.172 1.00 0.00 H new ATOM 0 HG1 THR A 581 -3.804 -9.165 3.872 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.469 -11.192 3.168 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.025 -10.375 1.688 1.00 0.00 H new ATOM 0 HG23 THR A 581 -5.575 -11.406 1.644 1.00 0.00 H new ATOM 360 N ALA A 582 -6.726 -8.143 -0.035 1.00 0.00 N ATOM 361 CA ALA A 582 -7.782 -7.259 -0.517 1.00 0.00 C ATOM 362 C ALA A 582 -8.842 -7.032 0.553 1.00 0.00 C ATOM 363 O ALA A 582 -8.755 -7.576 1.654 1.00 0.00 O ATOM 364 CB ALA A 582 -8.416 -7.833 -1.775 1.00 0.00 C ATOM 0 H ALA A 582 -6.715 -9.063 -0.474 1.00 0.00 H new ATOM 0 HA ALA A 582 -7.332 -6.295 -0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -9.202 -7.164 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -7.657 -7.937 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -8.844 -8.811 -1.553 1.00 0.00 H new ATOM 370 N SER A 583 -9.845 -6.224 0.221 1.00 0.00 N ATOM 371 CA SER A 583 -10.925 -5.923 1.152 1.00 0.00 C ATOM 372 C SER A 583 -11.959 -7.046 1.167 1.00 0.00 C ATOM 373 O SER A 583 -12.314 -7.590 0.122 1.00 0.00 O ATOM 374 CB SER A 583 -11.596 -4.600 0.773 1.00 0.00 C ATOM 375 OG SER A 583 -12.946 -4.566 1.204 1.00 0.00 O ATOM 0 H SER A 583 -9.931 -5.766 -0.687 1.00 0.00 H new ATOM 0 HA SER A 583 -10.498 -5.834 2.151 1.00 0.00 H new ATOM 0 HB2 SER A 583 -11.048 -3.771 1.220 1.00 0.00 H new ATOM 0 HB3 SER A 583 -11.553 -4.464 -0.308 1.00 0.00 H new ATOM 0 HG SER A 583 -13.349 -3.710 0.950 1.00 0.00 H new ATOM 381 N THR A 584 -12.437 -7.388 2.361 1.00 0.00 N ATOM 382 CA THR A 584 -13.429 -8.447 2.513 1.00 0.00 C ATOM 383 C THR A 584 -14.804 -7.983 2.046 1.00 0.00 C ATOM 384 O THR A 584 -15.770 -8.746 2.075 1.00 0.00 O ATOM 385 CB THR A 584 -13.531 -8.916 3.976 1.00 0.00 C ATOM 386 OG1 THR A 584 -13.821 -7.802 4.828 1.00 0.00 O ATOM 387 CG2 THR A 584 -12.237 -9.580 4.422 1.00 0.00 C ATOM 0 H THR A 584 -12.153 -6.947 3.236 1.00 0.00 H new ATOM 0 HA THR A 584 -13.098 -9.280 1.893 1.00 0.00 H new ATOM 0 HB THR A 584 -14.338 -9.646 4.046 1.00 0.00 H new ATOM 0 HG1 THR A 584 -13.886 -8.109 5.757 1.00 0.00 H new ATOM 0 HG21 THR A 584 -12.332 -9.903 5.459 1.00 0.00 H new ATOM 0 HG22 THR A 584 -12.035 -10.444 3.790 1.00 0.00 H new ATOM 0 HG23 THR A 584 -11.415 -8.869 4.338 1.00 0.00 H new ATOM 395 N ASP A 585 -14.884 -6.729 1.614 1.00 0.00 N ATOM 396 CA ASP A 585 -16.139 -6.161 1.137 1.00 0.00 C ATOM 397 C ASP A 585 -16.137 -6.043 -0.383 1.00 0.00 C ATOM 398 O ASP A 585 -16.889 -6.736 -1.069 1.00 0.00 O ATOM 399 CB ASP A 585 -16.374 -4.790 1.767 1.00 0.00 C ATOM 400 CG ASP A 585 -17.071 -4.882 3.110 1.00 0.00 C ATOM 401 OD1 ASP A 585 -16.614 -5.669 3.965 1.00 0.00 O ATOM 402 OD2 ASP A 585 -18.077 -4.167 3.307 1.00 0.00 O ATOM 0 H ASP A 585 -14.093 -6.086 1.585 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.948 -6.830 1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -15.418 -4.282 1.891 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -16.973 -4.181 1.091 1.00 0.00 H new ATOM 407 N ASN A 586 -15.284 -5.162 -0.903 1.00 0.00 N ATOM 408 CA ASN A 586 -15.179 -4.952 -2.344 1.00 0.00 C ATOM 409 C ASN A 586 -16.529 -4.564 -2.940 1.00 0.00 C ATOM 410 O ASN A 586 -16.779 -4.766 -4.128 1.00 0.00 O ATOM 411 CB ASN A 586 -14.643 -6.212 -3.023 1.00 0.00 C ATOM 412 CG ASN A 586 -14.238 -5.973 -4.465 1.00 0.00 C ATOM 413 OD1 ASN A 586 -13.390 -5.128 -4.753 1.00 0.00 O ATOM 414 ND2 ASN A 586 -14.843 -6.720 -5.382 1.00 0.00 N ATOM 0 H ASN A 586 -14.656 -4.582 -0.347 1.00 0.00 H new ATOM 0 HA ASN A 586 -14.483 -4.132 -2.519 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -13.783 -6.583 -2.465 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -15.405 -6.991 -2.988 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -14.610 -6.605 -6.368 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -15.540 -7.409 -5.100 1.00 0.00 H new ATOM 421 N VAL A 587 -17.398 -4.003 -2.103 1.00 0.00 N ATOM 422 CA VAL A 587 -18.723 -3.585 -2.545 1.00 0.00 C ATOM 423 C VAL A 587 -18.702 -2.147 -3.055 1.00 0.00 C ATOM 424 O VAL A 587 -19.712 -1.445 -3.007 1.00 0.00 O ATOM 425 CB VAL A 587 -19.761 -3.703 -1.411 1.00 0.00 C ATOM 426 CG1 VAL A 587 -20.234 -5.141 -1.267 1.00 0.00 C ATOM 427 CG2 VAL A 587 -19.186 -3.190 -0.099 1.00 0.00 C ATOM 0 H VAL A 587 -17.208 -3.828 -1.116 1.00 0.00 H new ATOM 0 HA VAL A 587 -19.010 -4.253 -3.357 1.00 0.00 H new ATOM 0 HB VAL A 587 -20.621 -3.085 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -20.966 -5.204 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -20.692 -5.469 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -19.384 -5.782 -1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -19.935 -3.282 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -18.306 -3.776 0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -18.904 -2.143 -0.210 1.00 0.00 H new ATOM 437 N GLY A 588 -17.542 -1.718 -3.542 1.00 0.00 N ATOM 438 CA GLY A 588 -17.406 -0.367 -4.056 1.00 0.00 C ATOM 439 C GLY A 588 -15.957 0.025 -4.276 1.00 0.00 C ATOM 440 O GLY A 588 -15.672 1.068 -4.865 1.00 0.00 O ATOM 0 H GLY A 588 -16.693 -2.282 -3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.949 -0.283 -4.997 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.867 0.332 -3.358 1.00 0.00 H new ATOM 444 N VAL A 589 -15.041 -0.813 -3.801 1.00 0.00 N ATOM 445 CA VAL A 589 -13.612 -0.552 -3.948 1.00 0.00 C ATOM 446 C VAL A 589 -13.193 -0.613 -5.412 1.00 0.00 C ATOM 447 O VAL A 589 -13.827 -1.289 -6.221 1.00 0.00 O ATOM 448 CB VAL A 589 -12.770 -1.555 -3.138 1.00 0.00 C ATOM 449 CG1 VAL A 589 -11.348 -1.044 -2.967 1.00 0.00 C ATOM 450 CG2 VAL A 589 -13.413 -1.824 -1.786 1.00 0.00 C ATOM 0 H VAL A 589 -15.262 -1.679 -3.310 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.431 0.452 -3.563 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.730 -2.495 -3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.768 -1.766 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.890 -0.909 -3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -11.365 -0.090 -2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.804 -2.535 -1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -13.487 -0.892 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -14.410 -2.238 -1.933 1.00 0.00 H new ATOM 460 N THR A 590 -12.123 0.102 -5.749 1.00 0.00 N ATOM 461 CA THR A 590 -11.625 0.130 -7.119 1.00 0.00 C ATOM 462 C THR A 590 -10.106 -0.014 -7.163 1.00 0.00 C ATOM 463 O THR A 590 -9.576 -0.865 -7.878 1.00 0.00 O ATOM 464 CB THR A 590 -12.028 1.432 -7.837 1.00 0.00 C ATOM 465 OG1 THR A 590 -11.199 1.635 -8.988 1.00 0.00 O ATOM 466 CG2 THR A 590 -11.909 2.628 -6.904 1.00 0.00 C ATOM 0 H THR A 590 -11.586 0.668 -5.093 1.00 0.00 H new ATOM 0 HA THR A 590 -12.079 -0.717 -7.634 1.00 0.00 H new ATOM 0 HB THR A 590 -13.068 1.339 -8.150 1.00 0.00 H new ATOM 0 HG1 THR A 590 -11.463 2.464 -9.439 1.00 0.00 H new ATOM 0 HG21 THR A 590 -12.199 3.534 -7.435 1.00 0.00 H new ATOM 0 HG22 THR A 590 -12.564 2.486 -6.045 1.00 0.00 H new ATOM 0 HG23 THR A 590 -10.878 2.722 -6.563 1.00 0.00 H new ATOM 474 N GLY A 591 -9.408 0.823 -6.399 1.00 0.00 N ATOM 475 CA GLY A 591 -7.958 0.767 -6.375 1.00 0.00 C ATOM 476 C GLY A 591 -7.390 0.840 -4.971 1.00 0.00 C ATOM 477 O GLY A 591 -8.135 0.936 -3.996 1.00 0.00 O ATOM 0 H GLY A 591 -9.820 1.537 -5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.627 -0.157 -6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.557 1.590 -6.967 1.00 0.00 H new ATOM 481 N TYR A 592 -6.065 0.792 -4.872 1.00 0.00 N ATOM 482 CA TYR A 592 -5.389 0.853 -3.581 1.00 0.00 C ATOM 483 C TYR A 592 -4.207 1.816 -3.631 1.00 0.00 C ATOM 484 O TYR A 592 -3.286 1.645 -4.431 1.00 0.00 O ATOM 485 CB TYR A 592 -4.904 -0.540 -3.168 1.00 0.00 C ATOM 486 CG TYR A 592 -6.019 -1.516 -2.865 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.663 -2.204 -3.886 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.432 -1.745 -1.557 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.686 -3.092 -3.614 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.453 -2.633 -1.278 1.00 0.00 C ATOM 491 CZ TYR A 592 -8.063 -3.319 -2.308 1.00 0.00 C ATOM 492 OH TYR A 592 -9.094 -4.187 -2.034 1.00 0.00 O ATOM 0 H TYR A 592 -5.437 0.711 -5.672 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.104 1.217 -2.843 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.284 -0.949 -3.966 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.269 -0.446 -2.287 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -6.359 -2.042 -4.910 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -5.947 -1.221 -0.747 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -8.188 -3.606 -4.421 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -7.772 -2.789 -0.258 1.00 0.00 H new ATOM 0 HH TYR A 592 -9.131 -4.880 -2.726 1.00 0.00 H new ATOM 502 N ASP A 593 -4.236 2.826 -2.767 1.00 0.00 N ATOM 503 CA ASP A 593 -3.167 3.816 -2.705 1.00 0.00 C ATOM 504 C ASP A 593 -2.228 3.520 -1.539 1.00 0.00 C ATOM 505 O ASP A 593 -2.669 3.378 -0.399 1.00 0.00 O ATOM 506 CB ASP A 593 -3.752 5.223 -2.562 1.00 0.00 C ATOM 507 CG ASP A 593 -5.220 5.281 -2.942 1.00 0.00 C ATOM 508 OD1 ASP A 593 -5.515 5.470 -4.141 1.00 0.00 O ATOM 509 OD2 ASP A 593 -6.072 5.137 -2.041 1.00 0.00 O ATOM 0 H ASP A 593 -4.991 2.980 -2.098 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.598 3.763 -3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -3.633 5.560 -1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -3.189 5.913 -3.191 1.00 0.00 H new ATOM 514 N VAL A 594 -0.934 3.418 -1.830 1.00 0.00 N ATOM 515 CA VAL A 594 0.055 3.127 -0.800 1.00 0.00 C ATOM 516 C VAL A 594 0.765 4.398 -0.339 1.00 0.00 C ATOM 517 O VAL A 594 1.046 5.292 -1.139 1.00 0.00 O ATOM 518 CB VAL A 594 1.085 2.083 -1.294 1.00 0.00 C ATOM 519 CG1 VAL A 594 1.008 1.925 -2.803 1.00 0.00 C ATOM 520 CG2 VAL A 594 2.504 2.439 -0.864 1.00 0.00 C ATOM 0 H VAL A 594 -0.548 3.532 -2.767 1.00 0.00 H new ATOM 0 HA VAL A 594 -0.477 2.706 0.053 1.00 0.00 H new ATOM 0 HB VAL A 594 0.831 1.130 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 594 1.740 1.187 -3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 594 0.008 1.593 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 594 1.220 2.882 -3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 594 3.196 1.681 -1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 594 2.777 3.410 -1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 594 2.555 2.481 0.224 1.00 0.00 H new ATOM 530 N TYR A 595 1.043 4.472 0.960 1.00 0.00 N ATOM 531 CA TYR A 595 1.710 5.632 1.541 1.00 0.00 C ATOM 532 C TYR A 595 3.163 5.320 1.889 1.00 0.00 C ATOM 533 O TYR A 595 3.510 4.176 2.181 1.00 0.00 O ATOM 534 CB TYR A 595 0.969 6.089 2.799 1.00 0.00 C ATOM 535 CG TYR A 595 -0.386 6.703 2.522 1.00 0.00 C ATOM 536 CD1 TYR A 595 -0.495 8.011 2.068 1.00 0.00 C ATOM 537 CD2 TYR A 595 -1.554 5.977 2.717 1.00 0.00 C ATOM 538 CE1 TYR A 595 -1.729 8.579 1.817 1.00 0.00 C ATOM 539 CE2 TYR A 595 -2.793 6.538 2.467 1.00 0.00 C ATOM 540 CZ TYR A 595 -2.874 7.839 2.018 1.00 0.00 C ATOM 541 OH TYR A 595 -4.105 8.402 1.770 1.00 0.00 O ATOM 0 H TYR A 595 0.815 3.739 1.632 1.00 0.00 H new ATOM 0 HA TYR A 595 1.698 6.430 0.799 1.00 0.00 H new ATOM 0 HB2 TYR A 595 0.841 5.235 3.464 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.585 6.816 3.328 1.00 0.00 H new ATOM 0 HD1 TYR A 595 0.400 8.594 1.908 1.00 0.00 H new ATOM 0 HD2 TYR A 595 -1.494 4.958 3.070 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -1.796 9.598 1.465 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -3.692 5.960 2.623 1.00 0.00 H new ATOM 0 HH TYR A 595 -4.809 7.747 1.961 1.00 0.00 H new ATOM 551 N ASN A 596 4.005 6.350 1.862 1.00 0.00 N ATOM 552 CA ASN A 596 5.420 6.193 2.180 1.00 0.00 C ATOM 553 C ASN A 596 5.934 7.379 2.994 1.00 0.00 C ATOM 554 O ASN A 596 6.280 8.421 2.435 1.00 0.00 O ATOM 555 CB ASN A 596 6.243 6.045 0.900 1.00 0.00 C ATOM 556 CG ASN A 596 7.732 5.991 1.175 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.514 6.731 0.577 1.00 0.00 O ATOM 558 ND2 ASN A 596 8.134 5.111 2.086 1.00 0.00 N ATOM 0 H ASN A 596 3.731 7.303 1.623 1.00 0.00 H new ATOM 0 HA ASN A 596 5.529 5.289 2.780 1.00 0.00 H new ATOM 0 HB2 ASN A 596 5.939 5.137 0.379 1.00 0.00 H new ATOM 0 HB3 ASN A 596 6.029 6.881 0.235 1.00 0.00 H new ATOM 0 HD21 ASN A 596 9.125 5.029 2.314 1.00 0.00 H new ATOM 0 HD22 ASN A 596 7.452 4.517 2.558 1.00 0.00 H new ATOM 565 N GLY A 597 5.981 7.213 4.313 1.00 0.00 N ATOM 566 CA GLY A 597 6.455 8.277 5.182 1.00 0.00 C ATOM 567 C GLY A 597 5.669 9.563 5.012 1.00 0.00 C ATOM 568 O GLY A 597 6.178 10.538 4.458 1.00 0.00 O ATOM 0 H GLY A 597 5.699 6.360 4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.389 7.950 6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 597 7.508 8.469 4.974 1.00 0.00 H new ATOM 572 N THR A 598 4.426 9.559 5.490 1.00 0.00 N ATOM 573 CA THR A 598 3.550 10.726 5.397 1.00 0.00 C ATOM 574 C THR A 598 3.553 11.320 3.989 1.00 0.00 C ATOM 575 O THR A 598 3.381 12.527 3.813 1.00 0.00 O ATOM 576 CB THR A 598 3.942 11.818 6.413 1.00 0.00 C ATOM 577 OG1 THR A 598 5.369 11.935 6.497 1.00 0.00 O ATOM 578 CG2 THR A 598 3.374 11.501 7.788 1.00 0.00 C ATOM 0 H THR A 598 4.000 8.754 5.949 1.00 0.00 H new ATOM 0 HA THR A 598 2.545 10.375 5.631 1.00 0.00 H new ATOM 0 HB THR A 598 3.526 12.765 6.069 1.00 0.00 H new ATOM 0 HG1 THR A 598 5.761 11.803 5.608 1.00 0.00 H new ATOM 0 HG21 THR A 598 3.662 12.284 8.490 1.00 0.00 H new ATOM 0 HG22 THR A 598 2.287 11.448 7.729 1.00 0.00 H new ATOM 0 HG23 THR A 598 3.766 10.543 8.131 1.00 0.00 H new ATOM 586 N ALA A 599 3.743 10.460 2.993 1.00 0.00 N ATOM 587 CA ALA A 599 3.764 10.889 1.599 1.00 0.00 C ATOM 588 C ALA A 599 3.455 9.721 0.669 1.00 0.00 C ATOM 589 O ALA A 599 4.258 8.799 0.531 1.00 0.00 O ATOM 590 CB ALA A 599 5.112 11.501 1.253 1.00 0.00 C ATOM 0 H ALA A 599 3.885 9.459 3.126 1.00 0.00 H new ATOM 0 HA ALA A 599 2.992 11.647 1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 599 5.112 11.816 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 599 5.294 12.365 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 599 5.898 10.762 1.408 1.00 0.00 H new ATOM 596 N LEU A 600 2.282 9.764 0.041 1.00 0.00 N ATOM 597 CA LEU A 600 1.859 8.705 -0.872 1.00 0.00 C ATOM 598 C LEU A 600 2.922 8.426 -1.928 1.00 0.00 C ATOM 599 O LEU A 600 3.469 9.349 -2.534 1.00 0.00 O ATOM 600 CB LEU A 600 0.540 9.079 -1.550 1.00 0.00 C ATOM 601 CG LEU A 600 -0.087 7.968 -2.395 1.00 0.00 C ATOM 602 CD1 LEU A 600 -1.539 7.752 -2.003 1.00 0.00 C ATOM 603 CD2 LEU A 600 0.022 8.296 -3.877 1.00 0.00 C ATOM 0 H LEU A 600 1.607 10.521 0.148 1.00 0.00 H new ATOM 0 HA LEU A 600 1.715 7.799 -0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.174 9.379 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.709 9.948 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 600 0.461 7.045 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -1.967 6.958 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -1.594 7.469 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 600 -2.099 8.674 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -0.429 7.494 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 600 -0.499 9.232 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 600 1.072 8.398 -4.151 1.00 0.00 H new ATOM 615 N ALA A 601 3.204 7.146 -2.148 1.00 0.00 N ATOM 616 CA ALA A 601 4.195 6.738 -3.133 1.00 0.00 C ATOM 617 C ALA A 601 3.525 6.344 -4.448 1.00 0.00 C ATOM 618 O ALA A 601 3.150 7.207 -5.243 1.00 0.00 O ATOM 619 CB ALA A 601 5.039 5.593 -2.591 1.00 0.00 C ATOM 0 H ALA A 601 2.758 6.373 -1.655 1.00 0.00 H new ATOM 0 HA ALA A 601 4.851 7.585 -3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.776 5.298 -3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 601 5.551 5.916 -1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 601 4.396 4.744 -2.361 1.00 0.00 H new ATOM 625 N THR A 602 3.373 5.041 -4.675 1.00 0.00 N ATOM 626 CA THR A 602 2.746 4.551 -5.896 1.00 0.00 C ATOM 627 C THR A 602 1.240 4.381 -5.720 1.00 0.00 C ATOM 628 O THR A 602 0.718 4.420 -4.601 1.00 0.00 O ATOM 629 CB THR A 602 3.361 3.211 -6.353 1.00 0.00 C ATOM 630 OG1 THR A 602 2.883 2.873 -7.660 1.00 0.00 O ATOM 631 CG2 THR A 602 3.022 2.092 -5.382 1.00 0.00 C ATOM 0 H THR A 602 3.675 4.310 -4.031 1.00 0.00 H new ATOM 0 HA THR A 602 2.931 5.302 -6.664 1.00 0.00 H new ATOM 0 HB THR A 602 4.444 3.329 -6.378 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.540 2.303 -8.111 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.469 1.161 -5.730 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.414 2.336 -4.395 1.00 0.00 H new ATOM 0 HG23 THR A 602 1.940 1.976 -5.324 1.00 0.00 H new ATOM 639 N THR A 603 0.548 4.189 -6.839 1.00 0.00 N ATOM 640 CA THR A 603 -0.896 4.009 -6.832 1.00 0.00 C ATOM 641 C THR A 603 -1.295 2.858 -7.746 1.00 0.00 C ATOM 642 O THR A 603 -1.064 2.906 -8.955 1.00 0.00 O ATOM 643 CB THR A 603 -1.626 5.287 -7.282 1.00 0.00 C ATOM 644 OG1 THR A 603 -1.064 6.430 -6.628 1.00 0.00 O ATOM 645 CG2 THR A 603 -3.113 5.199 -6.971 1.00 0.00 C ATOM 0 H THR A 603 0.970 4.154 -7.767 1.00 0.00 H new ATOM 0 HA THR A 603 -1.188 3.782 -5.807 1.00 0.00 H new ATOM 0 HB THR A 603 -1.501 5.389 -8.360 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.534 7.239 -6.921 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.608 6.113 -7.298 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.544 4.346 -7.495 1.00 0.00 H new ATOM 0 HG23 THR A 603 -3.253 5.075 -5.897 1.00 0.00 H new ATOM 653 N VAL A 604 -1.884 1.823 -7.163 1.00 0.00 N ATOM 654 CA VAL A 604 -2.303 0.654 -7.924 1.00 0.00 C ATOM 655 C VAL A 604 -3.812 0.454 -7.861 1.00 0.00 C ATOM 656 O VAL A 604 -4.540 1.299 -7.340 1.00 0.00 O ATOM 657 CB VAL A 604 -1.604 -0.615 -7.409 1.00 0.00 C ATOM 658 CG1 VAL A 604 -0.115 -0.564 -7.716 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.839 -0.783 -5.916 1.00 0.00 C ATOM 0 H VAL A 604 -2.083 1.769 -6.164 1.00 0.00 H new ATOM 0 HA VAL A 604 -2.017 0.832 -8.961 1.00 0.00 H new ATOM 0 HB VAL A 604 -2.030 -1.477 -7.922 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.364 -1.470 -7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 604 0.032 -0.491 -8.794 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.327 0.306 -7.230 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.337 -1.686 -5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.440 0.081 -5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -2.909 -0.865 -5.723 1.00 0.00 H new ATOM 669 N THR A 605 -4.273 -0.672 -8.396 1.00 0.00 N ATOM 670 CA THR A 605 -5.694 -0.992 -8.405 1.00 0.00 C ATOM 671 C THR A 605 -5.918 -2.484 -8.192 1.00 0.00 C ATOM 672 O THR A 605 -7.057 -2.946 -8.117 1.00 0.00 O ATOM 673 CB THR A 605 -6.355 -0.569 -9.729 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.506 -0.904 -10.832 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.636 0.926 -9.738 1.00 0.00 C ATOM 0 H THR A 605 -3.680 -1.379 -8.830 1.00 0.00 H new ATOM 0 HA THR A 605 -6.151 -0.436 -7.586 1.00 0.00 H new ATOM 0 HB THR A 605 -7.300 -1.104 -9.824 1.00 0.00 H new ATOM 0 HG1 THR A 605 -5.936 -0.633 -11.670 1.00 0.00 H new ATOM 0 HG21 THR A 605 -7.103 1.203 -10.683 1.00 0.00 H new ATOM 0 HG22 THR A 605 -7.306 1.175 -8.915 1.00 0.00 H new ATOM 0 HG23 THR A 605 -5.700 1.473 -9.622 1.00 0.00 H new ATOM 683 N GLY A 606 -4.824 -3.233 -8.094 1.00 0.00 N ATOM 684 CA GLY A 606 -4.917 -4.666 -7.889 1.00 0.00 C ATOM 685 C GLY A 606 -4.602 -5.069 -6.462 1.00 0.00 C ATOM 686 O GLY A 606 -5.302 -4.674 -5.530 1.00 0.00 O ATOM 0 H GLY A 606 -3.872 -2.871 -8.153 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.922 -5.002 -8.145 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -4.229 -5.172 -8.567 1.00 0.00 H new ATOM 690 N THR A 607 -3.546 -5.859 -6.291 1.00 0.00 N ATOM 691 CA THR A 607 -3.142 -6.316 -4.966 1.00 0.00 C ATOM 692 C THR A 607 -1.670 -6.014 -4.700 1.00 0.00 C ATOM 693 O THR A 607 -1.221 -6.035 -3.553 1.00 0.00 O ATOM 694 CB THR A 607 -3.384 -7.827 -4.793 1.00 0.00 C ATOM 695 OG1 THR A 607 -3.547 -8.449 -6.073 1.00 0.00 O ATOM 696 CG2 THR A 607 -4.616 -8.082 -3.939 1.00 0.00 C ATOM 0 H THR A 607 -2.956 -6.195 -7.052 1.00 0.00 H new ATOM 0 HA THR A 607 -3.755 -5.773 -4.247 1.00 0.00 H new ATOM 0 HB THR A 607 -2.517 -8.256 -4.291 1.00 0.00 H new ATOM 0 HG1 THR A 607 -3.699 -9.410 -5.953 1.00 0.00 H new ATOM 0 HG21 THR A 607 -4.767 -9.156 -3.830 1.00 0.00 H new ATOM 0 HG22 THR A 607 -4.476 -7.634 -2.955 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.489 -7.639 -4.418 1.00 0.00 H new ATOM 704 N THR A 608 -0.924 -5.731 -5.763 1.00 0.00 N ATOM 705 CA THR A 608 0.498 -5.423 -5.642 1.00 0.00 C ATOM 706 C THR A 608 0.758 -3.941 -5.892 1.00 0.00 C ATOM 707 O THR A 608 -0.120 -3.223 -6.367 1.00 0.00 O ATOM 708 CB THR A 608 1.338 -6.252 -6.632 1.00 0.00 C ATOM 709 OG1 THR A 608 0.931 -5.970 -7.976 1.00 0.00 O ATOM 710 CG2 THR A 608 1.190 -7.741 -6.356 1.00 0.00 C ATOM 0 H THR A 608 -1.280 -5.708 -6.719 1.00 0.00 H new ATOM 0 HA THR A 608 0.793 -5.678 -4.624 1.00 0.00 H new ATOM 0 HB THR A 608 2.385 -5.977 -6.503 1.00 0.00 H new ATOM 0 HG1 THR A 608 1.471 -6.500 -8.599 1.00 0.00 H new ATOM 0 HG21 THR A 608 1.793 -8.305 -7.068 1.00 0.00 H new ATOM 0 HG22 THR A 608 1.528 -7.959 -5.343 1.00 0.00 H new ATOM 0 HG23 THR A 608 0.144 -8.028 -6.459 1.00 0.00 H new ATOM 718 N ALA A 609 1.968 -3.490 -5.568 1.00 0.00 N ATOM 719 CA ALA A 609 2.343 -2.092 -5.759 1.00 0.00 C ATOM 720 C ALA A 609 3.846 -1.953 -5.977 1.00 0.00 C ATOM 721 O ALA A 609 4.645 -2.464 -5.193 1.00 0.00 O ATOM 722 CB ALA A 609 1.908 -1.260 -4.562 1.00 0.00 C ATOM 0 H ALA A 609 2.705 -4.073 -5.172 1.00 0.00 H new ATOM 0 HA ALA A 609 1.834 -1.725 -6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.194 -0.220 -4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 609 0.826 -1.325 -4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.392 -1.638 -3.661 1.00 0.00 H new ATOM 728 N THR A 610 4.226 -1.261 -7.047 1.00 0.00 N ATOM 729 CA THR A 610 5.634 -1.059 -7.364 1.00 0.00 C ATOM 730 C THR A 610 6.054 0.387 -7.121 1.00 0.00 C ATOM 731 O THR A 610 5.519 1.312 -7.733 1.00 0.00 O ATOM 732 CB THR A 610 5.940 -1.430 -8.827 1.00 0.00 C ATOM 733 OG1 THR A 610 5.129 -2.540 -9.229 1.00 0.00 O ATOM 734 CG2 THR A 610 7.410 -1.781 -8.999 1.00 0.00 C ATOM 0 H THR A 610 3.579 -0.832 -7.708 1.00 0.00 H new ATOM 0 HA THR A 610 6.201 -1.714 -6.703 1.00 0.00 H new ATOM 0 HB THR A 610 5.713 -0.568 -9.454 1.00 0.00 H new ATOM 0 HG1 THR A 610 5.327 -2.770 -10.161 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.603 -2.040 -10.040 1.00 0.00 H new ATOM 0 HG22 THR A 610 8.024 -0.925 -8.718 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.658 -2.630 -8.362 1.00 0.00 H new ATOM 742 N ILE A 611 7.017 0.572 -6.222 1.00 0.00 N ATOM 743 CA ILE A 611 7.514 1.904 -5.894 1.00 0.00 C ATOM 744 C ILE A 611 8.919 2.113 -6.450 1.00 0.00 C ATOM 745 O ILE A 611 9.764 1.222 -6.378 1.00 0.00 O ATOM 746 CB ILE A 611 7.535 2.135 -4.369 1.00 0.00 C ATOM 747 CG1 ILE A 611 6.125 2.002 -3.793 1.00 0.00 C ATOM 748 CG2 ILE A 611 8.119 3.502 -4.041 1.00 0.00 C ATOM 749 CD1 ILE A 611 5.891 0.697 -3.064 1.00 0.00 C ATOM 0 H ILE A 611 7.469 -0.184 -5.708 1.00 0.00 H new ATOM 0 HA ILE A 611 6.833 2.622 -6.352 1.00 0.00 H new ATOM 0 HB ILE A 611 8.170 1.375 -3.913 1.00 0.00 H new ATOM 0 HG12 ILE A 611 5.942 2.830 -3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.401 2.092 -4.602 1.00 0.00 H new ATOM 0 HG21 ILE A 611 8.125 3.645 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 611 9.139 3.563 -4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.512 4.278 -4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 611 4.870 0.672 -2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.042 -0.136 -3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.592 0.614 -2.233 1.00 0.00 H new ATOM 761 N SER A 612 9.162 3.298 -7.002 1.00 0.00 N ATOM 762 CA SER A 612 10.465 3.625 -7.568 1.00 0.00 C ATOM 763 C SER A 612 11.066 4.846 -6.880 1.00 0.00 C ATOM 764 O SER A 612 10.428 5.469 -6.032 1.00 0.00 O ATOM 765 CB SER A 612 10.342 3.882 -9.072 1.00 0.00 C ATOM 766 OG SER A 612 9.416 4.921 -9.337 1.00 0.00 O ATOM 0 H SER A 612 8.473 4.047 -7.069 1.00 0.00 H new ATOM 0 HA SER A 612 11.127 2.775 -7.405 1.00 0.00 H new ATOM 0 HB2 SER A 612 11.317 4.147 -9.480 1.00 0.00 H new ATOM 0 HB3 SER A 612 10.023 2.969 -9.575 1.00 0.00 H new ATOM 0 HG SER A 612 9.356 5.067 -10.304 1.00 0.00 H new ATOM 772 N GLY A 613 12.298 5.184 -7.253 1.00 0.00 N ATOM 773 CA GLY A 613 12.965 6.331 -6.663 1.00 0.00 C ATOM 774 C GLY A 613 13.239 6.150 -5.183 1.00 0.00 C ATOM 775 O GLY A 613 12.740 6.913 -4.355 1.00 0.00 O ATOM 0 H GLY A 613 12.846 4.684 -7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 613 13.906 6.507 -7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.350 7.219 -6.809 1.00 0.00 H new ATOM 779 N LEU A 614 14.036 5.139 -4.848 1.00 0.00 N ATOM 780 CA LEU A 614 14.375 4.864 -3.456 1.00 0.00 C ATOM 781 C LEU A 614 15.880 4.679 -3.291 1.00 0.00 C ATOM 782 O LEU A 614 16.491 3.845 -3.961 1.00 0.00 O ATOM 783 CB LEU A 614 13.642 3.614 -2.960 1.00 0.00 C ATOM 784 CG LEU A 614 12.139 3.591 -3.227 1.00 0.00 C ATOM 785 CD1 LEU A 614 11.619 2.162 -3.239 1.00 0.00 C ATOM 786 CD2 LEU A 614 11.415 4.413 -2.180 1.00 0.00 C ATOM 0 H LEU A 614 14.458 4.498 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 614 14.060 5.720 -2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 614 14.091 2.739 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 614 13.805 3.519 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 614 11.951 4.028 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 614 10.546 2.167 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 614 12.125 1.597 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 614 11.813 1.696 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 614 10.343 4.391 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 614 11.610 3.997 -1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 614 11.770 5.443 -2.216 1.00 0.00 H new ATOM 798 N ALA A 615 16.473 5.463 -2.395 1.00 0.00 N ATOM 799 CA ALA A 615 17.906 5.386 -2.140 1.00 0.00 C ATOM 800 C ALA A 615 18.242 4.179 -1.270 1.00 0.00 C ATOM 801 O ALA A 615 17.516 3.860 -0.329 1.00 0.00 O ATOM 802 CB ALA A 615 18.393 6.666 -1.479 1.00 0.00 C ATOM 0 H ALA A 615 15.982 6.159 -1.834 1.00 0.00 H new ATOM 0 HA ALA A 615 18.416 5.267 -3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 615 19.465 6.595 -1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 615 18.193 7.513 -2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 615 17.870 6.809 -0.533 1.00 0.00 H new ATOM 808 N ALA A 616 19.348 3.513 -1.590 1.00 0.00 N ATOM 809 CA ALA A 616 19.778 2.341 -0.837 1.00 0.00 C ATOM 810 C ALA A 616 20.331 2.736 0.528 1.00 0.00 C ATOM 811 O ALA A 616 20.639 3.904 0.771 1.00 0.00 O ATOM 812 CB ALA A 616 20.821 1.561 -1.624 1.00 0.00 C ATOM 0 H ALA A 616 19.961 3.765 -2.365 1.00 0.00 H new ATOM 0 HA ALA A 616 18.907 1.705 -0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.133 0.689 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 616 20.393 1.237 -2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 616 21.685 2.198 -1.814 1.00 0.00 H new ATOM 818 N ASP A 617 20.454 1.751 1.416 1.00 0.00 N ATOM 819 CA ASP A 617 20.969 1.984 2.762 1.00 0.00 C ATOM 820 C ASP A 617 20.153 3.053 3.484 1.00 0.00 C ATOM 821 O ASP A 617 20.708 3.946 4.125 1.00 0.00 O ATOM 822 CB ASP A 617 22.442 2.399 2.704 1.00 0.00 C ATOM 823 CG ASP A 617 23.378 1.205 2.700 1.00 0.00 C ATOM 824 OD1 ASP A 617 22.999 0.157 2.137 1.00 0.00 O ATOM 825 OD2 ASP A 617 24.490 1.320 3.257 1.00 0.00 O ATOM 0 H ASP A 617 20.203 0.781 1.226 1.00 0.00 H new ATOM 0 HA ASP A 617 20.883 1.052 3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.614 2.995 1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.672 3.035 3.559 1.00 0.00 H new ATOM 830 N THR A 618 18.833 2.954 3.374 1.00 0.00 N ATOM 831 CA THR A 618 17.939 3.911 4.016 1.00 0.00 C ATOM 832 C THR A 618 16.719 3.211 4.606 1.00 0.00 C ATOM 833 O THR A 618 16.270 2.185 4.092 1.00 0.00 O ATOM 834 CB THR A 618 17.466 4.991 3.025 1.00 0.00 C ATOM 835 OG1 THR A 618 18.519 5.310 2.107 1.00 0.00 O ATOM 836 CG2 THR A 618 17.032 6.250 3.761 1.00 0.00 C ATOM 0 H THR A 618 18.358 2.221 2.847 1.00 0.00 H new ATOM 0 HA THR A 618 18.506 4.386 4.816 1.00 0.00 H new ATOM 0 HB THR A 618 16.611 4.597 2.475 1.00 0.00 H new ATOM 0 HG1 THR A 618 18.333 4.895 1.239 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.702 6.998 3.040 1.00 0.00 H new ATOM 0 HG22 THR A 618 16.211 6.011 4.437 1.00 0.00 H new ATOM 0 HG23 THR A 618 17.871 6.644 4.334 1.00 0.00 H new ATOM 844 N SER A 619 16.183 3.775 5.685 1.00 0.00 N ATOM 845 CA SER A 619 15.012 3.209 6.344 1.00 0.00 C ATOM 846 C SER A 619 13.731 3.717 5.689 1.00 0.00 C ATOM 847 O SER A 619 13.594 4.909 5.413 1.00 0.00 O ATOM 848 CB SER A 619 15.013 3.563 7.832 1.00 0.00 C ATOM 849 OG SER A 619 15.233 2.412 8.629 1.00 0.00 O ATOM 0 H SER A 619 16.542 4.624 6.121 1.00 0.00 H new ATOM 0 HA SER A 619 15.053 2.125 6.240 1.00 0.00 H new ATOM 0 HB2 SER A 619 15.789 4.302 8.033 1.00 0.00 H new ATOM 0 HB3 SER A 619 14.060 4.019 8.101 1.00 0.00 H new ATOM 0 HG SER A 619 15.231 2.665 9.576 1.00 0.00 H new ATOM 855 N TYR A 620 12.798 2.804 5.439 1.00 0.00 N ATOM 856 CA TYR A 620 11.531 3.163 4.810 1.00 0.00 C ATOM 857 C TYR A 620 10.349 2.546 5.556 1.00 0.00 C ATOM 858 O TYR A 620 10.479 1.502 6.191 1.00 0.00 O ATOM 859 CB TYR A 620 11.523 2.710 3.347 1.00 0.00 C ATOM 860 CG TYR A 620 12.439 3.521 2.458 1.00 0.00 C ATOM 861 CD1 TYR A 620 12.048 4.761 1.970 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.696 3.045 2.104 1.00 0.00 C ATOM 863 CE1 TYR A 620 12.881 5.504 1.155 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.535 3.782 1.290 1.00 0.00 C ATOM 865 CZ TYR A 620 14.126 5.014 0.825 1.00 0.00 C ATOM 866 OH TYR A 620 14.955 5.747 0.006 1.00 0.00 O ATOM 0 H TYR A 620 12.894 1.813 5.661 1.00 0.00 H new ATOM 0 HA TYR A 620 11.429 4.247 4.851 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.817 1.662 3.298 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.506 2.774 2.961 1.00 0.00 H new ATOM 0 HD1 TYR A 620 11.076 5.152 2.232 1.00 0.00 H new ATOM 0 HD2 TYR A 620 14.022 2.083 2.471 1.00 0.00 H new ATOM 0 HE1 TYR A 620 12.558 6.463 0.779 1.00 0.00 H new ATOM 0 HE2 TYR A 620 15.506 3.395 1.019 1.00 0.00 H new ATOM 0 HH TYR A 620 15.855 5.360 0.022 1.00 0.00 H new ATOM 876 N THR A 621 9.199 3.204 5.463 1.00 0.00 N ATOM 877 CA THR A 621 7.982 2.733 6.115 1.00 0.00 C ATOM 878 C THR A 621 6.788 2.891 5.179 1.00 0.00 C ATOM 879 O THR A 621 6.306 4.003 4.960 1.00 0.00 O ATOM 880 CB THR A 621 7.706 3.500 7.421 1.00 0.00 C ATOM 881 OG1 THR A 621 8.822 4.339 7.742 1.00 0.00 O ATOM 882 CG2 THR A 621 7.443 2.539 8.570 1.00 0.00 C ATOM 0 H THR A 621 9.084 4.071 4.939 1.00 0.00 H new ATOM 0 HA THR A 621 8.128 1.680 6.357 1.00 0.00 H new ATOM 0 HB THR A 621 6.819 4.115 7.273 1.00 0.00 H new ATOM 0 HG1 THR A 621 8.638 4.825 8.573 1.00 0.00 H new ATOM 0 HG21 THR A 621 7.251 3.105 9.481 1.00 0.00 H new ATOM 0 HG22 THR A 621 6.576 1.922 8.337 1.00 0.00 H new ATOM 0 HG23 THR A 621 8.314 1.900 8.717 1.00 0.00 H new ATOM 890 N PHE A 622 6.329 1.780 4.611 1.00 0.00 N ATOM 891 CA PHE A 622 5.206 1.808 3.679 1.00 0.00 C ATOM 892 C PHE A 622 3.899 1.387 4.342 1.00 0.00 C ATOM 893 O PHE A 622 3.870 1.002 5.511 1.00 0.00 O ATOM 894 CB PHE A 622 5.486 0.891 2.488 1.00 0.00 C ATOM 895 CG PHE A 622 6.585 1.385 1.589 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.368 2.442 0.719 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.836 0.791 1.618 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.382 2.897 -0.104 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.852 1.242 0.797 1.00 0.00 C ATOM 900 CZ PHE A 622 8.624 2.296 -0.064 1.00 0.00 C ATOM 0 H PHE A 622 6.716 0.851 4.779 1.00 0.00 H new ATOM 0 HA PHE A 622 5.096 2.838 3.340 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.749 -0.100 2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.573 0.781 1.903 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.398 2.915 0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 622 8.020 -0.034 2.290 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.202 3.722 -0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.823 0.770 0.829 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.417 2.650 -0.706 1.00 0.00 H new ATOM 910 N THR A 623 2.823 1.462 3.562 1.00 0.00 N ATOM 911 CA THR A 623 1.485 1.094 4.017 1.00 0.00 C ATOM 912 C THR A 623 0.510 1.146 2.844 1.00 0.00 C ATOM 913 O THR A 623 0.849 1.658 1.777 1.00 0.00 O ATOM 914 CB THR A 623 0.980 2.026 5.133 1.00 0.00 C ATOM 915 OG1 THR A 623 1.736 3.244 5.138 1.00 0.00 O ATOM 916 CG2 THR A 623 1.088 1.352 6.492 1.00 0.00 C ATOM 0 H THR A 623 2.855 1.781 2.594 1.00 0.00 H new ATOM 0 HA THR A 623 1.543 0.083 4.420 1.00 0.00 H new ATOM 0 HB THR A 623 -0.069 2.251 4.938 1.00 0.00 H new ATOM 0 HG1 THR A 623 1.406 3.831 5.850 1.00 0.00 H new ATOM 0 HG21 THR A 623 0.725 2.030 7.264 1.00 0.00 H new ATOM 0 HG22 THR A 623 0.487 0.443 6.496 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.129 1.099 6.691 1.00 0.00 H new ATOM 924 N VAL A 624 -0.696 0.620 3.034 1.00 0.00 N ATOM 925 CA VAL A 624 -1.694 0.623 1.966 1.00 0.00 C ATOM 926 C VAL A 624 -3.040 1.138 2.457 1.00 0.00 C ATOM 927 O VAL A 624 -3.379 1.008 3.632 1.00 0.00 O ATOM 928 CB VAL A 624 -1.889 -0.780 1.357 1.00 0.00 C ATOM 929 CG1 VAL A 624 -1.348 -0.818 -0.064 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.227 -1.844 2.218 1.00 0.00 C ATOM 0 H VAL A 624 -1.005 0.191 3.906 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.311 1.294 1.197 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.957 -0.996 1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -1.492 -1.814 -0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -1.879 -0.088 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 624 -0.285 -0.579 -0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.379 -2.824 1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.159 -1.640 2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -1.668 -1.831 3.215 1.00 0.00 H new ATOM 940 N LYS A 625 -3.802 1.730 1.541 1.00 0.00 N ATOM 941 CA LYS A 625 -5.113 2.275 1.867 1.00 0.00 C ATOM 942 C LYS A 625 -6.115 2.008 0.746 1.00 0.00 C ATOM 943 O LYS A 625 -5.892 2.393 -0.401 1.00 0.00 O ATOM 944 CB LYS A 625 -5.000 3.772 2.126 1.00 0.00 C ATOM 945 CG LYS A 625 -4.819 4.108 3.596 1.00 0.00 C ATOM 946 CD LYS A 625 -5.980 4.931 4.114 1.00 0.00 C ATOM 947 CE LYS A 625 -5.716 5.451 5.517 1.00 0.00 C ATOM 948 NZ LYS A 625 -6.783 6.384 5.974 1.00 0.00 N ATOM 0 H LYS A 625 -3.531 1.844 0.564 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.476 1.779 2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.157 4.170 1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -5.896 4.268 1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.734 3.188 4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -3.888 4.659 3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.160 5.770 3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -6.885 4.324 4.115 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -5.648 4.611 6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -4.753 5.962 5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -6.640 6.610 6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -6.743 7.259 5.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -7.713 5.936 5.849 1.00 0.00 H new ATOM 962 N ALA A 626 -7.218 1.348 1.087 1.00 0.00 N ATOM 963 CA ALA A 626 -8.253 1.033 0.107 1.00 0.00 C ATOM 964 C ALA A 626 -9.139 2.244 -0.164 1.00 0.00 C ATOM 965 O ALA A 626 -9.595 2.911 0.764 1.00 0.00 O ATOM 966 CB ALA A 626 -9.097 -0.139 0.586 1.00 0.00 C ATOM 0 H ALA A 626 -7.418 1.021 2.032 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.761 0.756 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -9.864 -0.362 -0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.461 -1.013 0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.571 0.117 1.533 1.00 0.00 H new ATOM 972 N LYS A 627 -9.380 2.522 -1.441 1.00 0.00 N ATOM 973 CA LYS A 627 -10.215 3.653 -1.833 1.00 0.00 C ATOM 974 C LYS A 627 -11.424 3.181 -2.634 1.00 0.00 C ATOM 975 O LYS A 627 -11.338 2.220 -3.399 1.00 0.00 O ATOM 976 CB LYS A 627 -9.402 4.657 -2.653 1.00 0.00 C ATOM 977 CG LYS A 627 -8.561 4.014 -3.743 1.00 0.00 C ATOM 978 CD LYS A 627 -8.995 4.470 -5.127 1.00 0.00 C ATOM 979 CE LYS A 627 -8.335 5.785 -5.515 1.00 0.00 C ATOM 980 NZ LYS A 627 -8.732 6.221 -6.882 1.00 0.00 N ATOM 0 H LYS A 627 -9.010 1.980 -2.222 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.570 4.143 -0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -10.082 5.377 -3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -8.748 5.215 -1.983 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -7.511 4.265 -3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -8.643 2.929 -3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -8.740 3.704 -5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -10.079 4.585 -5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -8.608 6.555 -4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -7.252 5.675 -5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -8.262 7.120 -7.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -8.449 5.497 -7.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -9.763 6.350 -6.919 1.00 0.00 H new ATOM 994 N ASP A 628 -12.553 3.860 -2.449 1.00 0.00 N ATOM 995 CA ASP A 628 -13.782 3.506 -3.151 1.00 0.00 C ATOM 996 C ASP A 628 -14.113 4.531 -4.231 1.00 0.00 C ATOM 997 O ASP A 628 -13.536 5.619 -4.269 1.00 0.00 O ATOM 998 CB ASP A 628 -14.943 3.396 -2.164 1.00 0.00 C ATOM 999 CG ASP A 628 -15.030 2.025 -1.523 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -14.021 1.290 -1.555 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -16.107 1.686 -0.990 1.00 0.00 O ATOM 0 H ASP A 628 -12.642 4.658 -1.819 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.628 2.540 -3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -14.828 4.151 -1.386 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -15.878 3.612 -2.682 1.00 0.00 H new ATOM 1006 N ALA A 629 -15.049 4.174 -5.107 1.00 0.00 N ATOM 1007 CA ALA A 629 -15.465 5.058 -6.189 1.00 0.00 C ATOM 1008 C ALA A 629 -16.595 5.982 -5.743 1.00 0.00 C ATOM 1009 O ALA A 629 -17.483 6.317 -6.527 1.00 0.00 O ATOM 1010 CB ALA A 629 -15.892 4.240 -7.398 1.00 0.00 C ATOM 0 H ALA A 629 -15.534 3.277 -5.087 1.00 0.00 H new ATOM 0 HA ALA A 629 -14.614 5.681 -6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -16.201 4.910 -8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -15.056 3.629 -7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -16.726 3.594 -7.124 1.00 0.00 H new ATOM 1016 N ALA A 630 -16.554 6.389 -4.478 1.00 0.00 N ATOM 1017 CA ALA A 630 -17.574 7.274 -3.926 1.00 0.00 C ATOM 1018 C ALA A 630 -16.953 8.317 -3.002 1.00 0.00 C ATOM 1019 O ALA A 630 -17.660 9.104 -2.374 1.00 0.00 O ATOM 1020 CB ALA A 630 -18.628 6.466 -3.183 1.00 0.00 C ATOM 0 H ALA A 630 -15.826 6.120 -3.816 1.00 0.00 H new ATOM 0 HA ALA A 630 -18.052 7.799 -4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.383 7.139 -2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -19.100 5.764 -3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -18.157 5.915 -2.369 1.00 0.00 H new ATOM 1026 N GLY A 631 -15.625 8.318 -2.929 1.00 0.00 N ATOM 1027 CA GLY A 631 -14.928 9.272 -2.084 1.00 0.00 C ATOM 1028 C GLY A 631 -14.752 8.777 -0.661 1.00 0.00 C ATOM 1029 O GLY A 631 -14.633 9.576 0.268 1.00 0.00 O ATOM 0 H GLY A 631 -15.019 7.676 -3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -13.949 9.484 -2.514 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -15.481 10.211 -2.071 1.00 0.00 H new ATOM 1033 N ASN A 632 -14.733 7.459 -0.488 1.00 0.00 N ATOM 1034 CA ASN A 632 -14.568 6.863 0.833 1.00 0.00 C ATOM 1035 C ASN A 632 -13.254 6.092 0.919 1.00 0.00 C ATOM 1036 O ASN A 632 -12.994 5.202 0.109 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.739 5.931 1.153 1.00 0.00 C ATOM 1038 CG ASN A 632 -16.920 6.144 0.228 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -17.167 5.347 -0.675 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -17.658 7.226 0.451 1.00 0.00 N ATOM 0 H ASN A 632 -14.830 6.784 -1.246 1.00 0.00 H new ATOM 0 HA ASN A 632 -14.548 7.670 1.565 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.406 4.896 1.079 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -16.055 6.091 2.184 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -18.467 7.422 -0.139 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -17.416 7.860 1.212 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.430 6.437 1.904 1.00 0.00 N ATOM 1048 CA VAL A 633 -11.146 5.772 2.090 1.00 0.00 C ATOM 1049 C VAL A 633 -11.094 5.033 3.425 1.00 0.00 C ATOM 1050 O VAL A 633 -11.492 5.568 4.460 1.00 0.00 O ATOM 1051 CB VAL A 633 -9.975 6.773 2.011 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -10.075 7.805 3.119 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -8.640 6.043 2.070 1.00 0.00 C ATOM 0 H VAL A 633 -12.628 7.171 2.584 1.00 0.00 H new ATOM 0 HA VAL A 633 -11.044 5.049 1.280 1.00 0.00 H new ATOM 0 HB VAL A 633 -10.035 7.295 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -9.239 8.501 3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -11.013 8.352 3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -10.045 7.304 4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -7.827 6.767 2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -8.569 5.490 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -8.568 5.349 1.233 1.00 0.00 H new ATOM 1063 N SER A 634 -10.602 3.800 3.389 1.00 0.00 N ATOM 1064 CA SER A 634 -10.494 2.978 4.590 1.00 0.00 C ATOM 1065 C SER A 634 -9.305 3.417 5.439 1.00 0.00 C ATOM 1066 O SER A 634 -8.742 4.490 5.224 1.00 0.00 O ATOM 1067 CB SER A 634 -10.349 1.503 4.207 1.00 0.00 C ATOM 1068 OG SER A 634 -9.324 1.325 3.245 1.00 0.00 O ATOM 0 H SER A 634 -10.270 3.346 2.538 1.00 0.00 H new ATOM 0 HA SER A 634 -11.403 3.106 5.177 1.00 0.00 H new ATOM 0 HB2 SER A 634 -10.124 0.914 5.096 1.00 0.00 H new ATOM 0 HB3 SER A 634 -11.294 1.133 3.809 1.00 0.00 H new ATOM 0 HG SER A 634 -8.452 1.488 3.662 1.00 0.00 H new ATOM 1074 N ALA A 635 -8.926 2.581 6.401 1.00 0.00 N ATOM 1075 CA ALA A 635 -7.801 2.886 7.277 1.00 0.00 C ATOM 1076 C ALA A 635 -6.489 2.403 6.666 1.00 0.00 C ATOM 1077 O ALA A 635 -6.485 1.729 5.635 1.00 0.00 O ATOM 1078 CB ALA A 635 -8.013 2.261 8.647 1.00 0.00 C ATOM 0 H ALA A 635 -9.381 1.689 6.593 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.742 3.968 7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -7.165 2.497 9.290 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -8.926 2.658 9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -8.100 1.179 8.544 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.377 2.752 7.306 1.00 0.00 N ATOM 1085 CA ALA A 636 -4.061 2.354 6.821 1.00 0.00 C ATOM 1086 C ALA A 636 -3.674 0.976 7.345 1.00 0.00 C ATOM 1087 O ALA A 636 -3.826 0.687 8.532 1.00 0.00 O ATOM 1088 CB ALA A 636 -3.016 3.385 7.223 1.00 0.00 C ATOM 0 H ALA A 636 -5.362 3.309 8.160 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.105 2.300 5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -2.038 3.075 6.854 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.276 4.353 6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -2.985 3.467 8.309 1.00 0.00 H new ATOM 1094 N SER A 637 -3.170 0.131 6.451 1.00 0.00 N ATOM 1095 CA SER A 637 -2.754 -1.218 6.818 1.00 0.00 C ATOM 1096 C SER A 637 -1.600 -1.180 7.810 1.00 0.00 C ATOM 1097 O SER A 637 -1.120 -0.107 8.176 1.00 0.00 O ATOM 1098 CB SER A 637 -2.340 -2.000 5.577 1.00 0.00 C ATOM 1099 OG SER A 637 -2.738 -3.357 5.667 1.00 0.00 O ATOM 0 H SER A 637 -3.040 0.358 5.465 1.00 0.00 H new ATOM 0 HA SER A 637 -3.602 -1.715 7.290 1.00 0.00 H new ATOM 0 HB2 SER A 637 -2.787 -1.546 4.693 1.00 0.00 H new ATOM 0 HB3 SER A 637 -1.259 -1.943 5.453 1.00 0.00 H new ATOM 0 HG SER A 637 -2.606 -3.795 4.800 1.00 0.00 H new ATOM 1105 N ASN A 638 -1.152 -2.357 8.238 1.00 0.00 N ATOM 1106 CA ASN A 638 -0.046 -2.451 9.182 1.00 0.00 C ATOM 1107 C ASN A 638 1.186 -1.746 8.628 1.00 0.00 C ATOM 1108 O ASN A 638 1.387 -1.693 7.414 1.00 0.00 O ATOM 1109 CB ASN A 638 0.278 -3.915 9.482 1.00 0.00 C ATOM 1110 CG ASN A 638 0.311 -4.204 10.970 1.00 0.00 C ATOM 1111 OD1 ASN A 638 1.264 -4.793 11.478 1.00 0.00 O ATOM 1112 ND2 ASN A 638 -0.735 -3.789 11.676 1.00 0.00 N ATOM 0 H ASN A 638 -1.537 -3.255 7.946 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.343 -1.962 10.109 1.00 0.00 H new ATOM 0 HB2 ASN A 638 -0.466 -4.554 9.006 1.00 0.00 H new ATOM 0 HB3 ASN A 638 1.243 -4.168 9.043 1.00 0.00 H new ATOM 0 HD21 ASN A 638 -0.770 -3.955 12.682 1.00 0.00 H new ATOM 0 HD22 ASN A 638 -1.503 -3.304 11.212 1.00 0.00 H new ATOM 1119 N ALA A 639 2.004 -1.200 9.519 1.00 0.00 N ATOM 1120 CA ALA A 639 3.209 -0.492 9.107 1.00 0.00 C ATOM 1121 C ALA A 639 4.333 -1.463 8.773 1.00 0.00 C ATOM 1122 O ALA A 639 4.654 -2.356 9.558 1.00 0.00 O ATOM 1123 CB ALA A 639 3.649 0.480 10.191 1.00 0.00 C ATOM 0 H ALA A 639 1.856 -1.234 10.528 1.00 0.00 H new ATOM 0 HA ALA A 639 2.976 0.072 8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 639 4.550 1.001 9.868 1.00 0.00 H new ATOM 0 HB2 ALA A 639 2.856 1.205 10.373 1.00 0.00 H new ATOM 0 HB3 ALA A 639 3.856 -0.069 11.110 1.00 0.00 H new ATOM 1129 N VAL A 640 4.925 -1.280 7.599 1.00 0.00 N ATOM 1130 CA VAL A 640 6.013 -2.134 7.147 1.00 0.00 C ATOM 1131 C VAL A 640 7.342 -1.386 7.177 1.00 0.00 C ATOM 1132 O VAL A 640 7.409 -0.206 6.836 1.00 0.00 O ATOM 1133 CB VAL A 640 5.756 -2.650 5.717 1.00 0.00 C ATOM 1134 CG1 VAL A 640 5.618 -1.488 4.745 1.00 0.00 C ATOM 1135 CG2 VAL A 640 6.861 -3.600 5.277 1.00 0.00 C ATOM 0 H VAL A 640 4.667 -0.544 6.941 1.00 0.00 H new ATOM 0 HA VAL A 640 6.062 -2.983 7.829 1.00 0.00 H new ATOM 0 HB VAL A 640 4.818 -3.205 5.718 1.00 0.00 H new ATOM 0 HG11 VAL A 640 5.437 -1.873 3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 640 4.782 -0.857 5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 640 6.536 -0.900 4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 640 6.658 -3.951 4.265 1.00 0.00 H new ATOM 0 HG22 VAL A 640 7.818 -3.078 5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 640 6.900 -4.452 5.956 1.00 0.00 H new ATOM 1145 N SER A 641 8.395 -2.084 7.584 1.00 0.00 N ATOM 1146 CA SER A 641 9.723 -1.489 7.653 1.00 0.00 C ATOM 1147 C SER A 641 10.599 -2.013 6.522 1.00 0.00 C ATOM 1148 O SER A 641 11.091 -3.141 6.575 1.00 0.00 O ATOM 1149 CB SER A 641 10.372 -1.791 9.005 1.00 0.00 C ATOM 1150 OG SER A 641 9.858 -2.988 9.562 1.00 0.00 O ATOM 0 H SER A 641 8.355 -3.062 7.871 1.00 0.00 H new ATOM 0 HA SER A 641 9.623 -0.409 7.546 1.00 0.00 H new ATOM 0 HB2 SER A 641 11.452 -1.878 8.882 1.00 0.00 H new ATOM 0 HB3 SER A 641 10.195 -0.962 9.690 1.00 0.00 H new ATOM 0 HG SER A 641 10.290 -3.159 10.425 1.00 0.00 H new ATOM 1156 N VAL A 642 10.781 -1.192 5.495 1.00 0.00 N ATOM 1157 CA VAL A 642 11.587 -1.572 4.343 1.00 0.00 C ATOM 1158 C VAL A 642 12.992 -0.984 4.433 1.00 0.00 C ATOM 1159 O VAL A 642 13.172 0.233 4.379 1.00 0.00 O ATOM 1160 CB VAL A 642 10.921 -1.111 3.031 1.00 0.00 C ATOM 1161 CG1 VAL A 642 11.877 -1.239 1.854 1.00 0.00 C ATOM 1162 CG2 VAL A 642 9.646 -1.902 2.779 1.00 0.00 C ATOM 0 H VAL A 642 10.380 -0.256 5.437 1.00 0.00 H new ATOM 0 HA VAL A 642 11.661 -2.659 4.344 1.00 0.00 H new ATOM 0 HB VAL A 642 10.662 -0.057 3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 642 11.379 -0.907 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 642 12.758 -0.622 2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 642 12.180 -2.280 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 642 9.187 -1.566 1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 642 9.885 -2.963 2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 642 8.951 -1.745 3.604 1.00 0.00 H new ATOM 1172 N LYS A 643 13.982 -1.860 4.568 1.00 0.00 N ATOM 1173 CA LYS A 643 15.373 -1.437 4.662 1.00 0.00 C ATOM 1174 C LYS A 643 16.121 -1.760 3.372 1.00 0.00 C ATOM 1175 O LYS A 643 16.513 -2.905 3.140 1.00 0.00 O ATOM 1176 CB LYS A 643 16.054 -2.118 5.853 1.00 0.00 C ATOM 1177 CG LYS A 643 17.558 -1.898 5.906 1.00 0.00 C ATOM 1178 CD LYS A 643 17.988 -1.309 7.240 1.00 0.00 C ATOM 1179 CE LYS A 643 18.083 0.206 7.174 1.00 0.00 C ATOM 1180 NZ LYS A 643 18.900 0.760 8.288 1.00 0.00 N ATOM 0 H LYS A 643 13.845 -2.870 4.615 1.00 0.00 H new ATOM 0 HA LYS A 643 15.396 -0.358 4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 643 15.609 -1.746 6.776 1.00 0.00 H new ATOM 0 HB3 LYS A 643 15.854 -3.189 5.811 1.00 0.00 H new ATOM 0 HG2 LYS A 643 18.071 -2.846 5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 643 17.858 -1.230 5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 643 17.275 -1.597 8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 643 18.954 -1.723 7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 643 18.521 0.501 6.221 1.00 0.00 H new ATOM 0 HE3 LYS A 643 17.081 0.634 7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 18.940 1.796 8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 18.468 0.500 9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 19.863 0.371 8.239 1.00 0.00 H new ATOM 1194 N THR A 644 16.310 -0.746 2.534 1.00 0.00 N ATOM 1195 CA THR A 644 17.007 -0.922 1.265 1.00 0.00 C ATOM 1196 C THR A 644 18.518 -0.834 1.449 1.00 0.00 C ATOM 1197 O THR A 644 18.965 -0.683 2.605 1.00 0.00 O ATOM 1198 CB THR A 644 16.565 0.131 0.231 1.00 0.00 C ATOM 1199 OG1 THR A 644 16.794 1.449 0.744 1.00 0.00 O ATOM 1200 CG2 THR A 644 15.092 -0.033 -0.115 1.00 0.00 C ATOM 1201 OXT THR A 644 19.243 -0.919 0.435 1.00 0.00 O ATOM 0 H THR A 644 15.990 0.206 2.711 1.00 0.00 H new ATOM 0 HA THR A 644 16.747 -1.914 0.897 1.00 0.00 H new ATOM 0 HB THR A 644 17.154 -0.014 -0.675 1.00 0.00 H new ATOM 0 HG1 THR A 644 16.919 2.073 -0.001 1.00 0.00 H new ATOM 0 HG21 THR A 644 14.804 0.722 -0.847 1.00 0.00 H new ATOM 0 HG22 THR A 644 14.925 -1.026 -0.533 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.491 0.087 0.786 1.00 0.00 H new TER 1209 THR A 644