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 618 THR OG1 : rot 102:sc= 1.21 USER MOD Set 1.2: A 620 TYR OH : rot 140:sc= 0.132 USER MOD Set 2.1: A 561 THR OG1 : rot -169:sc= 0.461 USER MOD Set 2.2: A 584 THR OG1 : rot 180:sc= 0.454 USER MOD Set 3.1: A 572 THR OG1 : rot -69:sc= 1.17 USER MOD Set 3.2: A 574 SER OG : rot 180:sc= -0.163 USER MOD Set 3.3: A 575 SER OG : rot 180:sc= 0.0259 USER MOD Set 4.1: A 568 SER OG : rot 22:sc= 0.59 USER MOD Set 4.2: A 571 GLN : amide:sc= 0.0636 K(o=0.65,f=-0.55) USER MOD Single : A 557 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 564 THR OG1 : rot 180:sc= 0 USER MOD Single : A 565 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 569 THR OG1 : rot 180:sc= 0.0358 USER MOD Single : A 573 THR OG1 : rot 180:sc= 0 USER MOD Single : A 577 THR OG1 : rot -148:sc= -2.64! USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 581 THR OG1 : rot 84:sc= 0.369 USER MOD Single : A 583 SER OG : rot -159:sc= 1.06 USER MOD Single : A 586 ASN :FLIP amide:sc= 0.023 F(o=-0.71,f=0.023) USER MOD Single : A 590 THR OG1 : rot 180:sc= 0 USER MOD Single : A 592 TYR OH : rot 180:sc= 0.0213 USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 596 ASN : amide:sc= -0.184 K(o=-0.18,f=-2.6!) USER MOD Single : A 598 THR OG1 : rot -6:sc= 0.744 USER MOD Single : A 602 THR OG1 : rot 162:sc= 0.216 USER MOD Single : A 603 THR OG1 : rot -75:sc= 0.59 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 619 SER OG : rot 180:sc= 0 USER MOD Single : A 621 THR OG1 : rot 40:sc= 0.6 USER MOD Single : A 623 THR OG1 : rot 180:sc= -0.0545 USER MOD Single : A 625 LYS NZ :NH3+ 175:sc= -0.286 (180deg=-0.331) USER MOD Single : A 627 LYS NZ :NH3+ 167:sc= -0.0776 (180deg=-0.276) USER MOD Single : A 632 ASN : amide:sc=-0.00976 K(o=-0.0098,f=-1.3) USER MOD Single : A 634 SER OG : rot 62:sc= -5.05! USER MOD Single : A 637 SER OG : rot 150:sc= -0.183 USER MOD Single : A 638 ASN : amide:sc= -0.381 X(o=-0.38,f=-0.38) USER MOD Single : A 641 SER OG : rot 180:sc= 0 USER MOD Single : A 643 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 644 THR OG1 : rot 170:sc= -0.276 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 557 -21.214 0.228 1.319 1.00 0.00 N ATOM 2 CA HIS A 557 -21.556 0.906 2.597 1.00 0.00 C ATOM 3 C HIS A 557 -20.422 1.816 3.060 1.00 0.00 C ATOM 4 O HIS A 557 -19.462 1.358 3.680 1.00 0.00 O ATOM 5 CB HIS A 557 -21.842 -0.162 3.654 1.00 0.00 C ATOM 6 CG HIS A 557 -23.039 0.140 4.500 1.00 0.00 C ATOM 7 ND1 HIS A 557 -23.289 1.386 5.036 1.00 0.00 N ATOM 8 CD2 HIS A 557 -24.061 -0.652 4.903 1.00 0.00 C ATOM 9 CE1 HIS A 557 -24.412 1.347 5.730 1.00 0.00 C ATOM 10 NE2 HIS A 557 -24.900 0.121 5.665 1.00 0.00 N ATOM 0 HA HIS A 557 -22.436 1.531 2.446 1.00 0.00 H new ATOM 0 HB2 HIS A 557 -21.990 -1.122 3.159 1.00 0.00 H new ATOM 0 HB3 HIS A 557 -20.969 -0.267 4.298 1.00 0.00 H new ATOM 0 HD2 HIS A 557 -24.191 -1.698 4.668 1.00 0.00 H new ATOM 0 HE1 HIS A 557 -24.856 2.176 6.260 1.00 0.00 H new ATOM 0 HE2 HIS A 557 -25.761 -0.199 6.109 1.00 0.00 H new ATOM 21 N MET A 558 -20.543 3.106 2.755 1.00 0.00 N ATOM 22 CA MET A 558 -19.531 4.085 3.138 1.00 0.00 C ATOM 23 C MET A 558 -18.151 3.669 2.634 1.00 0.00 C ATOM 24 O MET A 558 -18.036 2.969 1.627 1.00 0.00 O ATOM 25 CB MET A 558 -19.506 4.250 4.660 1.00 0.00 C ATOM 26 CG MET A 558 -20.552 5.220 5.184 1.00 0.00 C ATOM 27 SD MET A 558 -19.948 6.210 6.566 1.00 0.00 S ATOM 28 CE MET A 558 -20.665 7.804 6.178 1.00 0.00 C ATOM 0 H MET A 558 -21.334 3.497 2.243 1.00 0.00 H new ATOM 0 HA MET A 558 -19.790 5.039 2.679 1.00 0.00 H new ATOM 0 HB2 MET A 558 -19.660 3.276 5.125 1.00 0.00 H new ATOM 0 HB3 MET A 558 -18.518 4.596 4.963 1.00 0.00 H new ATOM 0 HG2 MET A 558 -20.865 5.882 4.377 1.00 0.00 H new ATOM 0 HG3 MET A 558 -21.434 4.662 5.499 1.00 0.00 H new ATOM 0 HE1 MET A 558 -20.381 8.526 6.943 1.00 0.00 H new ATOM 0 HE2 MET A 558 -20.300 8.141 5.208 1.00 0.00 H new ATOM 0 HE3 MET A 558 -21.751 7.716 6.146 1.00 0.00 H new ATOM 38 N ALA A 559 -17.107 4.099 3.339 1.00 0.00 N ATOM 39 CA ALA A 559 -15.741 3.764 2.961 1.00 0.00 C ATOM 40 C ALA A 559 -15.534 2.251 2.956 1.00 0.00 C ATOM 41 O ALA A 559 -16.154 1.533 3.741 1.00 0.00 O ATOM 42 CB ALA A 559 -14.752 4.432 3.905 1.00 0.00 C ATOM 0 H ALA A 559 -17.183 4.680 4.174 1.00 0.00 H new ATOM 0 HA ALA A 559 -15.565 4.135 1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -13.735 4.172 3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -14.878 5.514 3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -14.933 4.089 4.924 1.00 0.00 H new ATOM 48 N PRO A 560 -14.661 1.742 2.067 1.00 0.00 N ATOM 49 CA PRO A 560 -14.387 0.305 1.968 1.00 0.00 C ATOM 50 C PRO A 560 -13.545 -0.205 3.131 1.00 0.00 C ATOM 51 O PRO A 560 -13.188 0.553 4.033 1.00 0.00 O ATOM 52 CB PRO A 560 -13.612 0.186 0.658 1.00 0.00 C ATOM 53 CG PRO A 560 -12.932 1.502 0.509 1.00 0.00 C ATOM 54 CD PRO A 560 -13.877 2.521 1.088 1.00 0.00 C ATOM 0 HA PRO A 560 -15.301 -0.289 1.997 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.892 -0.631 0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -14.278 -0.014 -0.181 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -11.978 1.511 1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.720 1.716 -0.539 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -13.341 3.342 1.564 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.514 2.960 0.320 1.00 0.00 H new ATOM 62 N THR A 561 -13.230 -1.497 3.103 1.00 0.00 N ATOM 63 CA THR A 561 -12.428 -2.110 4.154 1.00 0.00 C ATOM 64 C THR A 561 -10.958 -1.733 4.010 1.00 0.00 C ATOM 65 O THR A 561 -10.494 -1.415 2.916 1.00 0.00 O ATOM 66 CB THR A 561 -12.559 -3.645 4.139 1.00 0.00 C ATOM 67 OG1 THR A 561 -13.281 -4.065 2.975 1.00 0.00 O ATOM 68 CG2 THR A 561 -13.273 -4.137 5.389 1.00 0.00 C ATOM 0 H THR A 561 -13.518 -2.138 2.364 1.00 0.00 H new ATOM 0 HA THR A 561 -12.806 -1.732 5.104 1.00 0.00 H new ATOM 0 HB THR A 561 -11.557 -4.073 4.118 1.00 0.00 H new ATOM 0 HG1 THR A 561 -13.509 -5.015 3.056 1.00 0.00 H new ATOM 0 HG21 THR A 561 -13.355 -5.223 5.358 1.00 0.00 H new ATOM 0 HG22 THR A 561 -12.706 -3.841 6.272 1.00 0.00 H new ATOM 0 HG23 THR A 561 -14.270 -3.699 5.434 1.00 0.00 H new ATOM 76 N ALA A 562 -10.231 -1.768 5.122 1.00 0.00 N ATOM 77 CA ALA A 562 -8.813 -1.426 5.125 1.00 0.00 C ATOM 78 C ALA A 562 -7.942 -2.664 4.914 1.00 0.00 C ATOM 79 O ALA A 562 -8.113 -3.671 5.602 1.00 0.00 O ATOM 80 CB ALA A 562 -8.447 -0.745 6.434 1.00 0.00 C ATOM 0 H ALA A 562 -10.602 -2.031 6.035 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.628 -0.741 4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -7.387 -0.493 6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -9.036 0.165 6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.656 -1.418 7.265 1.00 0.00 H new ATOM 86 N PRO A 563 -6.985 -2.604 3.966 1.00 0.00 N ATOM 87 CA PRO A 563 -6.082 -3.727 3.684 1.00 0.00 C ATOM 88 C PRO A 563 -5.439 -4.268 4.956 1.00 0.00 C ATOM 89 O PRO A 563 -5.258 -3.534 5.928 1.00 0.00 O ATOM 90 CB PRO A 563 -5.020 -3.106 2.773 1.00 0.00 C ATOM 91 CG PRO A 563 -5.712 -1.968 2.106 1.00 0.00 C ATOM 92 CD PRO A 563 -6.704 -1.439 3.105 1.00 0.00 C ATOM 0 HA PRO A 563 -6.602 -4.574 3.236 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.158 -2.764 3.346 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.652 -3.828 2.044 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -5.000 -1.195 1.817 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -6.213 -2.296 1.196 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -6.292 -0.608 3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.608 -1.074 2.617 1.00 0.00 H new ATOM 100 N THR A 564 -5.105 -5.555 4.954 1.00 0.00 N ATOM 101 CA THR A 564 -4.493 -6.179 6.121 1.00 0.00 C ATOM 102 C THR A 564 -3.374 -7.138 5.726 1.00 0.00 C ATOM 103 O THR A 564 -3.344 -7.649 4.606 1.00 0.00 O ATOM 104 CB THR A 564 -5.533 -6.948 6.956 1.00 0.00 C ATOM 105 OG1 THR A 564 -6.028 -8.069 6.214 1.00 0.00 O ATOM 106 CG2 THR A 564 -6.691 -6.043 7.352 1.00 0.00 C ATOM 0 H THR A 564 -5.247 -6.182 4.162 1.00 0.00 H new ATOM 0 HA THR A 564 -4.074 -5.369 6.719 1.00 0.00 H new ATOM 0 HB THR A 564 -5.044 -7.301 7.864 1.00 0.00 H new ATOM 0 HG1 THR A 564 -6.688 -8.553 6.754 1.00 0.00 H new ATOM 0 HG21 THR A 564 -7.411 -6.611 7.941 1.00 0.00 H new ATOM 0 HG22 THR A 564 -6.315 -5.209 7.944 1.00 0.00 H new ATOM 0 HG23 THR A 564 -7.177 -5.660 6.455 1.00 0.00 H new ATOM 114 N ASN A 565 -2.464 -7.380 6.666 1.00 0.00 N ATOM 115 CA ASN A 565 -1.340 -8.285 6.448 1.00 0.00 C ATOM 116 C ASN A 565 -0.476 -7.842 5.268 1.00 0.00 C ATOM 117 O ASN A 565 -0.215 -8.624 4.352 1.00 0.00 O ATOM 118 CB ASN A 565 -1.843 -9.713 6.220 1.00 0.00 C ATOM 119 CG ASN A 565 -1.521 -10.630 7.384 1.00 0.00 C ATOM 120 OD1 ASN A 565 -1.920 -10.371 8.521 1.00 0.00 O ATOM 121 ND2 ASN A 565 -0.796 -11.706 7.106 1.00 0.00 N ATOM 0 H ASN A 565 -2.485 -6.957 7.594 1.00 0.00 H new ATOM 0 HA ASN A 565 -0.721 -8.259 7.344 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -2.921 -9.695 6.062 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -1.394 -10.113 5.311 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -0.547 -12.359 7.849 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -0.488 -11.880 6.149 1.00 0.00 H new ATOM 128 N LEU A 566 -0.017 -6.595 5.301 1.00 0.00 N ATOM 129 CA LEU A 566 0.831 -6.074 4.236 1.00 0.00 C ATOM 130 C LEU A 566 2.280 -6.494 4.460 1.00 0.00 C ATOM 131 O LEU A 566 2.684 -6.780 5.587 1.00 0.00 O ATOM 132 CB LEU A 566 0.738 -4.551 4.154 1.00 0.00 C ATOM 133 CG LEU A 566 1.779 -3.896 3.246 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.411 -4.081 1.783 1.00 0.00 C ATOM 135 CD2 LEU A 566 1.925 -2.425 3.578 1.00 0.00 C ATOM 0 H LEU A 566 -0.217 -5.931 6.049 1.00 0.00 H new ATOM 0 HA LEU A 566 0.479 -6.491 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -0.256 -4.280 3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 566 0.841 -4.140 5.158 1.00 0.00 H new ATOM 0 HG LEU A 566 2.738 -4.384 3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.166 -3.607 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.363 -5.145 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.440 -3.624 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 566 2.670 -1.976 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 566 0.968 -1.923 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 566 2.242 -2.316 4.615 1.00 0.00 H new ATOM 147 N ALA A 567 3.057 -6.528 3.382 1.00 0.00 N ATOM 148 CA ALA A 567 4.460 -6.913 3.471 1.00 0.00 C ATOM 149 C ALA A 567 5.245 -6.468 2.242 1.00 0.00 C ATOM 150 O ALA A 567 4.691 -5.878 1.316 1.00 0.00 O ATOM 151 CB ALA A 567 4.581 -8.418 3.659 1.00 0.00 C ATOM 0 H ALA A 567 2.740 -6.295 2.441 1.00 0.00 H new ATOM 0 HA ALA A 567 4.889 -6.409 4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 567 5.634 -8.693 3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 567 4.072 -8.712 4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 567 4.124 -8.928 2.811 1.00 0.00 H new ATOM 157 N SER A 568 6.541 -6.772 2.240 1.00 0.00 N ATOM 158 CA SER A 568 7.415 -6.422 1.125 1.00 0.00 C ATOM 159 C SER A 568 8.157 -7.660 0.629 1.00 0.00 C ATOM 160 O SER A 568 8.845 -8.330 1.398 1.00 0.00 O ATOM 161 CB SER A 568 8.416 -5.344 1.548 1.00 0.00 C ATOM 162 OG SER A 568 9.318 -5.838 2.524 1.00 0.00 O ATOM 0 H SER A 568 7.010 -7.262 3.002 1.00 0.00 H new ATOM 0 HA SER A 568 6.802 -6.029 0.314 1.00 0.00 H new ATOM 0 HB2 SER A 568 8.972 -4.998 0.677 1.00 0.00 H new ATOM 0 HB3 SER A 568 7.880 -4.483 1.947 1.00 0.00 H new ATOM 0 HG SER A 568 9.350 -6.816 2.474 1.00 0.00 H new ATOM 168 N THR A 569 8.003 -7.967 -0.656 1.00 0.00 N ATOM 169 CA THR A 569 8.650 -9.136 -1.241 1.00 0.00 C ATOM 170 C THR A 569 9.922 -8.762 -1.998 1.00 0.00 C ATOM 171 O THR A 569 11.019 -8.797 -1.441 1.00 0.00 O ATOM 172 CB THR A 569 7.697 -9.883 -2.192 1.00 0.00 C ATOM 173 OG1 THR A 569 6.759 -8.966 -2.767 1.00 0.00 O ATOM 174 CG2 THR A 569 6.951 -10.985 -1.455 1.00 0.00 C ATOM 0 H THR A 569 7.438 -7.425 -1.309 1.00 0.00 H new ATOM 0 HA THR A 569 8.917 -9.790 -0.411 1.00 0.00 H new ATOM 0 HB THR A 569 8.292 -10.337 -2.984 1.00 0.00 H new ATOM 0 HG1 THR A 569 6.158 -9.449 -3.372 1.00 0.00 H new ATOM 0 HG21 THR A 569 6.284 -11.499 -2.147 1.00 0.00 H new ATOM 0 HG22 THR A 569 7.667 -11.697 -1.045 1.00 0.00 H new ATOM 0 HG23 THR A 569 6.367 -10.550 -0.644 1.00 0.00 H new ATOM 182 N ALA A 570 9.771 -8.416 -3.274 1.00 0.00 N ATOM 183 CA ALA A 570 10.913 -8.051 -4.108 1.00 0.00 C ATOM 184 C ALA A 570 11.359 -6.615 -3.856 1.00 0.00 C ATOM 185 O ALA A 570 10.791 -5.671 -4.407 1.00 0.00 O ATOM 186 CB ALA A 570 10.576 -8.249 -5.577 1.00 0.00 C ATOM 0 H ALA A 570 8.871 -8.381 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 570 11.742 -8.706 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.436 -7.973 -6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 570 10.325 -9.295 -5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.726 -7.621 -5.843 1.00 0.00 H new ATOM 192 N GLN A 571 12.386 -6.458 -3.027 1.00 0.00 N ATOM 193 CA GLN A 571 12.919 -5.138 -2.705 1.00 0.00 C ATOM 194 C GLN A 571 14.331 -4.981 -3.261 1.00 0.00 C ATOM 195 O GLN A 571 15.237 -5.733 -2.899 1.00 0.00 O ATOM 196 CB GLN A 571 12.930 -4.917 -1.191 1.00 0.00 C ATOM 197 CG GLN A 571 11.849 -5.687 -0.451 1.00 0.00 C ATOM 198 CD GLN A 571 12.414 -6.790 0.422 1.00 0.00 C ATOM 199 OE1 GLN A 571 13.130 -7.670 -0.055 1.00 0.00 O ATOM 200 NE2 GLN A 571 12.096 -6.747 1.710 1.00 0.00 N ATOM 0 H GLN A 571 12.867 -7.230 -2.565 1.00 0.00 H new ATOM 0 HA GLN A 571 12.273 -4.390 -3.165 1.00 0.00 H new ATOM 0 HB2 GLN A 571 13.904 -5.208 -0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 571 12.809 -3.853 -0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 571 11.275 -4.997 0.168 1.00 0.00 H new ATOM 0 HG3 GLN A 571 11.156 -6.119 -1.173 1.00 0.00 H new ATOM 0 HE21 GLN A 571 11.499 -5.999 2.063 1.00 0.00 H new ATOM 0 HE22 GLN A 571 12.449 -7.462 2.346 1.00 0.00 H new ATOM 209 N THR A 572 14.511 -4.003 -4.143 1.00 0.00 N ATOM 210 CA THR A 572 15.814 -3.752 -4.749 1.00 0.00 C ATOM 211 C THR A 572 16.372 -2.402 -4.307 1.00 0.00 C ATOM 212 O THR A 572 15.945 -1.846 -3.296 1.00 0.00 O ATOM 213 CB THR A 572 15.738 -3.794 -6.287 1.00 0.00 C ATOM 214 OG1 THR A 572 15.156 -2.583 -6.784 1.00 0.00 O ATOM 215 CG2 THR A 572 14.916 -4.986 -6.756 1.00 0.00 C ATOM 0 H THR A 572 13.772 -3.372 -4.454 1.00 0.00 H new ATOM 0 HA THR A 572 16.481 -4.544 -4.410 1.00 0.00 H new ATOM 0 HB THR A 572 16.752 -3.895 -6.675 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.209 -2.549 -6.535 1.00 0.00 H new ATOM 0 HG21 THR A 572 14.876 -4.995 -7.845 1.00 0.00 H new ATOM 0 HG22 THR A 572 15.377 -5.908 -6.402 1.00 0.00 H new ATOM 0 HG23 THR A 572 13.905 -4.910 -6.357 1.00 0.00 H new ATOM 223 N THR A 573 17.335 -1.883 -5.064 1.00 0.00 N ATOM 224 CA THR A 573 17.955 -0.603 -4.743 1.00 0.00 C ATOM 225 C THR A 573 17.238 0.556 -5.432 1.00 0.00 C ATOM 226 O THR A 573 17.806 1.636 -5.595 1.00 0.00 O ATOM 227 CB THR A 573 19.440 -0.584 -5.148 1.00 0.00 C ATOM 228 OG1 THR A 573 19.559 -0.563 -6.576 1.00 0.00 O ATOM 229 CG2 THR A 573 20.170 -1.798 -4.593 1.00 0.00 C ATOM 0 H THR A 573 17.702 -2.330 -5.904 1.00 0.00 H new ATOM 0 HA THR A 573 17.874 -0.480 -3.663 1.00 0.00 H new ATOM 0 HB THR A 573 19.894 0.315 -4.732 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.507 -0.549 -6.825 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.217 -1.761 -4.893 1.00 0.00 H new ATOM 0 HG22 THR A 573 20.104 -1.796 -3.505 1.00 0.00 H new ATOM 0 HG23 THR A 573 19.713 -2.707 -4.983 1.00 0.00 H new ATOM 237 N SER A 574 15.989 0.330 -5.833 1.00 0.00 N ATOM 238 CA SER A 574 15.205 1.364 -6.501 1.00 0.00 C ATOM 239 C SER A 574 13.731 0.976 -6.589 1.00 0.00 C ATOM 240 O SER A 574 12.850 1.784 -6.300 1.00 0.00 O ATOM 241 CB SER A 574 15.758 1.625 -7.904 1.00 0.00 C ATOM 242 OG SER A 574 15.496 0.531 -8.766 1.00 0.00 O ATOM 0 H SER A 574 15.500 -0.556 -5.707 1.00 0.00 H new ATOM 0 HA SER A 574 15.282 2.275 -5.907 1.00 0.00 H new ATOM 0 HB2 SER A 574 15.309 2.530 -8.313 1.00 0.00 H new ATOM 0 HB3 SER A 574 16.833 1.799 -7.848 1.00 0.00 H new ATOM 0 HG SER A 574 15.857 0.722 -9.657 1.00 0.00 H new ATOM 248 N SER A 575 13.471 -0.264 -6.996 1.00 0.00 N ATOM 249 CA SER A 575 12.102 -0.753 -7.128 1.00 0.00 C ATOM 250 C SER A 575 11.747 -1.714 -5.996 1.00 0.00 C ATOM 251 O SER A 575 12.494 -2.649 -5.707 1.00 0.00 O ATOM 252 CB SER A 575 11.918 -1.449 -8.478 1.00 0.00 C ATOM 253 OG SER A 575 13.167 -1.813 -9.039 1.00 0.00 O ATOM 0 H SER A 575 14.189 -0.947 -7.239 1.00 0.00 H new ATOM 0 HA SER A 575 11.432 0.105 -7.070 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.300 -2.338 -8.351 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.388 -0.787 -9.163 1.00 0.00 H new ATOM 0 HG SER A 575 13.022 -2.257 -9.900 1.00 0.00 H new ATOM 259 N ILE A 576 10.601 -1.478 -5.362 1.00 0.00 N ATOM 260 CA ILE A 576 10.145 -2.324 -4.263 1.00 0.00 C ATOM 261 C ILE A 576 8.785 -2.944 -4.571 1.00 0.00 C ATOM 262 O ILE A 576 7.951 -2.336 -5.244 1.00 0.00 O ATOM 263 CB ILE A 576 10.051 -1.532 -2.941 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.768 -2.481 -1.771 1.00 0.00 C ATOM 265 CG2 ILE A 576 8.974 -0.460 -3.034 1.00 0.00 C ATOM 266 CD1 ILE A 576 9.779 -1.800 -0.419 1.00 0.00 C ATOM 0 H ILE A 576 9.972 -0.708 -5.590 1.00 0.00 H new ATOM 0 HA ILE A 576 10.884 -3.117 -4.149 1.00 0.00 H new ATOM 0 HB ILE A 576 11.007 -1.040 -2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.797 -2.952 -1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.512 -3.278 -1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 576 8.923 0.087 -2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.216 0.230 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 576 8.010 -0.929 -3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.571 -2.534 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 576 10.758 -1.353 -0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 576 9.016 -1.022 -0.397 1.00 0.00 H new ATOM 278 N THR A 577 8.569 -4.155 -4.067 1.00 0.00 N ATOM 279 CA THR A 577 7.311 -4.860 -4.277 1.00 0.00 C ATOM 280 C THR A 577 6.536 -4.980 -2.970 1.00 0.00 C ATOM 281 O THR A 577 7.089 -5.374 -1.943 1.00 0.00 O ATOM 282 CB THR A 577 7.542 -6.267 -4.859 1.00 0.00 C ATOM 283 OG1 THR A 577 8.353 -6.183 -6.036 1.00 0.00 O ATOM 284 CG2 THR A 577 6.218 -6.935 -5.198 1.00 0.00 C ATOM 0 H THR A 577 9.251 -4.669 -3.509 1.00 0.00 H new ATOM 0 HA THR A 577 6.732 -4.276 -4.993 1.00 0.00 H new ATOM 0 HB THR A 577 8.054 -6.868 -4.107 1.00 0.00 H new ATOM 0 HG1 THR A 577 8.100 -6.896 -6.659 1.00 0.00 H new ATOM 0 HG21 THR A 577 6.406 -7.928 -5.608 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.613 -7.023 -4.295 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.685 -6.334 -5.934 1.00 0.00 H new ATOM 292 N LEU A 578 5.255 -4.632 -3.016 1.00 0.00 N ATOM 293 CA LEU A 578 4.403 -4.694 -1.835 1.00 0.00 C ATOM 294 C LEU A 578 3.208 -5.608 -2.073 1.00 0.00 C ATOM 295 O LEU A 578 2.512 -5.485 -3.080 1.00 0.00 O ATOM 296 CB LEU A 578 3.923 -3.288 -1.464 1.00 0.00 C ATOM 297 CG LEU A 578 4.200 -2.848 -0.021 1.00 0.00 C ATOM 298 CD1 LEU A 578 5.627 -3.182 0.391 1.00 0.00 C ATOM 299 CD2 LEU A 578 3.942 -1.358 0.136 1.00 0.00 C ATOM 0 H LEU A 578 4.784 -4.304 -3.859 1.00 0.00 H new ATOM 0 HA LEU A 578 4.987 -5.104 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 578 4.395 -2.574 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 578 2.849 -3.233 -1.641 1.00 0.00 H new ATOM 0 HG LEU A 578 3.522 -3.395 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 578 5.794 -2.858 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 578 5.784 -4.258 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 578 6.326 -2.669 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 578 4.143 -1.060 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 578 4.596 -0.803 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 578 2.902 -1.141 -0.108 1.00 0.00 H new ATOM 311 N SER A 579 2.973 -6.525 -1.140 1.00 0.00 N ATOM 312 CA SER A 579 1.857 -7.459 -1.250 1.00 0.00 C ATOM 313 C SER A 579 0.996 -7.421 0.010 1.00 0.00 C ATOM 314 O SER A 579 1.516 -7.393 1.126 1.00 0.00 O ATOM 315 CB SER A 579 2.375 -8.879 -1.489 1.00 0.00 C ATOM 316 OG SER A 579 1.322 -9.754 -1.860 1.00 0.00 O ATOM 0 H SER A 579 3.540 -6.642 -0.300 1.00 0.00 H new ATOM 0 HA SER A 579 1.242 -7.159 -2.099 1.00 0.00 H new ATOM 0 HB2 SER A 579 3.133 -8.865 -2.272 1.00 0.00 H new ATOM 0 HB3 SER A 579 2.858 -9.250 -0.585 1.00 0.00 H new ATOM 0 HG SER A 579 1.681 -10.654 -2.008 1.00 0.00 H new ATOM 322 N TRP A 580 -0.320 -7.417 -0.177 1.00 0.00 N ATOM 323 CA TRP A 580 -1.256 -7.379 0.944 1.00 0.00 C ATOM 324 C TRP A 580 -2.566 -8.072 0.581 1.00 0.00 C ATOM 325 O TRP A 580 -2.796 -8.415 -0.579 1.00 0.00 O ATOM 326 CB TRP A 580 -1.529 -5.932 1.359 1.00 0.00 C ATOM 327 CG TRP A 580 -2.183 -5.121 0.281 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.517 -4.866 0.143 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.533 -4.466 -0.812 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.735 -4.089 -0.969 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.532 -3.830 -1.572 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.202 -4.351 -1.219 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.241 -3.094 -2.718 1.00 0.00 C ATOM 334 CZ3 TRP A 580 0.087 -3.621 -2.356 1.00 0.00 C ATOM 335 CH2 TRP A 580 -0.929 -3.001 -3.094 1.00 0.00 C ATOM 0 H TRP A 580 -0.764 -7.440 -1.095 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.804 -7.910 1.781 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.166 -5.929 2.244 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.589 -5.458 1.641 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.288 -5.223 0.810 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.644 -3.759 -1.293 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.588 -4.825 -0.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -3.022 -2.614 -3.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.113 -3.527 -2.681 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.671 -2.438 -3.979 1.00 0.00 H new ATOM 346 N THR A 581 -3.419 -8.275 1.580 1.00 0.00 N ATOM 347 CA THR A 581 -4.705 -8.928 1.363 1.00 0.00 C ATOM 348 C THR A 581 -5.723 -7.959 0.777 1.00 0.00 C ATOM 349 O THR A 581 -5.948 -6.875 1.317 1.00 0.00 O ATOM 350 CB THR A 581 -5.268 -9.515 2.671 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.235 -10.205 3.384 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.417 -10.471 2.385 1.00 0.00 C ATOM 0 H THR A 581 -3.244 -7.997 2.546 1.00 0.00 H new ATOM 0 HA THR A 581 -4.529 -9.739 0.656 1.00 0.00 H new ATOM 0 HB THR A 581 -5.642 -8.692 3.280 1.00 0.00 H new ATOM 0 HG1 THR A 581 -3.725 -9.564 3.923 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.798 -10.873 3.324 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.215 -9.937 1.868 1.00 0.00 H new ATOM 0 HG23 THR A 581 -6.062 -11.289 1.758 1.00 0.00 H new ATOM 360 N ALA A 582 -6.339 -8.359 -0.332 1.00 0.00 N ATOM 361 CA ALA A 582 -7.336 -7.529 -0.995 1.00 0.00 C ATOM 362 C ALA A 582 -8.527 -7.273 -0.080 1.00 0.00 C ATOM 363 O ALA A 582 -9.049 -8.193 0.548 1.00 0.00 O ATOM 364 CB ALA A 582 -7.793 -8.187 -2.289 1.00 0.00 C ATOM 0 H ALA A 582 -6.164 -9.254 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 582 -6.878 -6.569 -1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -8.538 -7.557 -2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -6.938 -8.316 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -8.230 -9.160 -2.067 1.00 0.00 H new ATOM 370 N SER A 583 -8.952 -6.015 -0.007 1.00 0.00 N ATOM 371 CA SER A 583 -10.081 -5.637 0.834 1.00 0.00 C ATOM 372 C SER A 583 -11.395 -6.139 0.243 1.00 0.00 C ATOM 373 O SER A 583 -11.520 -6.298 -0.971 1.00 0.00 O ATOM 374 CB SER A 583 -10.129 -4.120 1.007 1.00 0.00 C ATOM 375 OG SER A 583 -9.240 -3.696 2.027 1.00 0.00 O ATOM 0 H SER A 583 -8.531 -5.241 -0.520 1.00 0.00 H new ATOM 0 HA SER A 583 -9.945 -6.101 1.811 1.00 0.00 H new ATOM 0 HB2 SER A 583 -9.867 -3.635 0.067 1.00 0.00 H new ATOM 0 HB3 SER A 583 -11.145 -3.811 1.253 1.00 0.00 H new ATOM 0 HG SER A 583 -9.508 -2.809 2.346 1.00 0.00 H new ATOM 381 N THR A 584 -12.372 -6.386 1.111 1.00 0.00 N ATOM 382 CA THR A 584 -13.678 -6.870 0.679 1.00 0.00 C ATOM 383 C THR A 584 -14.496 -5.756 0.037 1.00 0.00 C ATOM 384 O THR A 584 -14.021 -4.627 -0.104 1.00 0.00 O ATOM 385 CB THR A 584 -14.477 -7.459 1.857 1.00 0.00 C ATOM 386 OG1 THR A 584 -13.896 -7.044 3.098 1.00 0.00 O ATOM 387 CG2 THR A 584 -14.505 -8.978 1.787 1.00 0.00 C ATOM 0 H THR A 584 -12.283 -6.258 2.119 1.00 0.00 H new ATOM 0 HA THR A 584 -13.494 -7.653 -0.057 1.00 0.00 H new ATOM 0 HB THR A 584 -15.501 -7.090 1.794 1.00 0.00 H new ATOM 0 HG1 THR A 584 -14.410 -7.421 3.842 1.00 0.00 H new ATOM 0 HG21 THR A 584 -15.075 -9.371 2.629 1.00 0.00 H new ATOM 0 HG22 THR A 584 -14.974 -9.291 0.854 1.00 0.00 H new ATOM 0 HG23 THR A 584 -13.486 -9.363 1.827 1.00 0.00 H new ATOM 395 N ASP A 585 -15.728 -6.081 -0.347 1.00 0.00 N ATOM 396 CA ASP A 585 -16.618 -5.111 -0.974 1.00 0.00 C ATOM 397 C ASP A 585 -15.958 -4.475 -2.194 1.00 0.00 C ATOM 398 O ASP A 585 -15.879 -3.251 -2.305 1.00 0.00 O ATOM 399 CB ASP A 585 -17.020 -4.032 0.032 1.00 0.00 C ATOM 400 CG ASP A 585 -18.044 -4.528 1.034 1.00 0.00 C ATOM 401 OD1 ASP A 585 -19.009 -5.201 0.613 1.00 0.00 O ATOM 402 OD2 ASP A 585 -17.881 -4.245 2.239 1.00 0.00 O ATOM 0 H ASP A 585 -16.132 -7.011 -0.234 1.00 0.00 H new ATOM 0 HA ASP A 585 -17.514 -5.636 -1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -16.133 -3.686 0.564 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -17.426 -3.173 -0.503 1.00 0.00 H new ATOM 407 N ASN A 586 -15.485 -5.319 -3.106 1.00 0.00 N ATOM 408 CA ASN A 586 -14.831 -4.848 -4.321 1.00 0.00 C ATOM 409 C ASN A 586 -15.817 -4.101 -5.215 1.00 0.00 C ATOM 410 O ASN A 586 -15.424 -3.463 -6.193 1.00 0.00 O ATOM 411 CB ASN A 586 -14.220 -6.025 -5.083 1.00 0.00 C ATOM 412 CG ASN A 586 -15.269 -7.016 -5.549 1.00 0.00 C ATOM 413 OD1 ASN A 586 -15.660 -7.925 -4.662 1.00 0.00 O flip ATOM 414 ND2 ASN A 586 -15.721 -6.968 -6.692 1.00 0.00 N flip ATOM 0 H ASN A 586 -15.543 -6.334 -3.026 1.00 0.00 H new ATOM 0 HA ASN A 586 -14.037 -4.159 -4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -13.669 -5.650 -5.946 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -13.500 -6.535 -4.443 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -15.392 -6.253 -7.341 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -16.425 -7.643 -6.991 1.00 0.00 H new ATOM 421 N VAL A 587 -17.099 -4.184 -4.872 1.00 0.00 N ATOM 422 CA VAL A 587 -18.145 -3.518 -5.639 1.00 0.00 C ATOM 423 C VAL A 587 -18.023 -1.999 -5.539 1.00 0.00 C ATOM 424 O VAL A 587 -18.697 -1.265 -6.261 1.00 0.00 O ATOM 425 CB VAL A 587 -19.548 -3.936 -5.161 1.00 0.00 C ATOM 426 CG1 VAL A 587 -19.873 -5.349 -5.622 1.00 0.00 C ATOM 427 CG2 VAL A 587 -19.651 -3.826 -3.647 1.00 0.00 C ATOM 0 H VAL A 587 -17.439 -4.708 -4.065 1.00 0.00 H new ATOM 0 HA VAL A 587 -18.014 -3.825 -6.677 1.00 0.00 H new ATOM 0 HB VAL A 587 -20.278 -3.258 -5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -20.868 -5.625 -5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -19.844 -5.392 -6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -19.140 -6.043 -5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -20.649 -4.125 -3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -18.911 -4.478 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -19.467 -2.795 -3.344 1.00 0.00 H new ATOM 437 N GLY A 588 -17.161 -1.538 -4.637 1.00 0.00 N ATOM 438 CA GLY A 588 -16.969 -0.111 -4.458 1.00 0.00 C ATOM 439 C GLY A 588 -15.516 0.302 -4.594 1.00 0.00 C ATOM 440 O GLY A 588 -15.217 1.387 -5.094 1.00 0.00 O ATOM 0 H GLY A 588 -16.593 -2.127 -4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.567 0.428 -5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.336 0.181 -3.474 1.00 0.00 H new ATOM 444 N VAL A 589 -14.612 -0.564 -4.147 1.00 0.00 N ATOM 445 CA VAL A 589 -13.183 -0.282 -4.221 1.00 0.00 C ATOM 446 C VAL A 589 -12.713 -0.213 -5.669 1.00 0.00 C ATOM 447 O VAL A 589 -12.997 -1.106 -6.468 1.00 0.00 O ATOM 448 CB VAL A 589 -12.354 -1.342 -3.472 1.00 0.00 C ATOM 449 CG1 VAL A 589 -10.966 -0.808 -3.153 1.00 0.00 C ATOM 450 CG2 VAL A 589 -13.067 -1.780 -2.202 1.00 0.00 C ATOM 0 H VAL A 589 -14.843 -1.466 -3.730 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.029 0.685 -3.743 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.244 -2.212 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.395 -1.571 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.454 -0.549 -4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -11.053 0.080 -2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.466 -2.529 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -13.210 -0.919 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -14.037 -2.207 -2.458 1.00 0.00 H new ATOM 460 N THR A 590 -11.992 0.852 -5.999 1.00 0.00 N ATOM 461 CA THR A 590 -11.481 1.042 -7.352 1.00 0.00 C ATOM 462 C THR A 590 -9.968 0.855 -7.401 1.00 0.00 C ATOM 463 O THR A 590 -9.405 0.556 -8.454 1.00 0.00 O ATOM 464 CB THR A 590 -11.834 2.439 -7.902 1.00 0.00 C ATOM 465 OG1 THR A 590 -10.807 2.890 -8.792 1.00 0.00 O ATOM 466 CG2 THR A 590 -12.008 3.446 -6.773 1.00 0.00 C ATOM 0 H THR A 590 -11.748 1.598 -5.348 1.00 0.00 H new ATOM 0 HA THR A 590 -11.959 0.286 -7.976 1.00 0.00 H new ATOM 0 HB THR A 590 -12.777 2.359 -8.442 1.00 0.00 H new ATOM 0 HG1 THR A 590 -11.040 3.777 -9.138 1.00 0.00 H new ATOM 0 HG21 THR A 590 -12.256 4.422 -7.191 1.00 0.00 H new ATOM 0 HG22 THR A 590 -12.812 3.118 -6.114 1.00 0.00 H new ATOM 0 HG23 THR A 590 -11.081 3.520 -6.205 1.00 0.00 H new ATOM 474 N GLY A 591 -9.317 1.033 -6.255 1.00 0.00 N ATOM 475 CA GLY A 591 -7.874 0.877 -6.192 1.00 0.00 C ATOM 476 C GLY A 591 -7.332 1.023 -4.784 1.00 0.00 C ATOM 477 O GLY A 591 -8.085 1.276 -3.843 1.00 0.00 O ATOM 0 H GLY A 591 -9.761 1.282 -5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.601 -0.103 -6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.404 1.619 -6.837 1.00 0.00 H new ATOM 481 N TYR A 592 -6.022 0.856 -4.643 1.00 0.00 N ATOM 482 CA TYR A 592 -5.370 0.964 -3.343 1.00 0.00 C ATOM 483 C TYR A 592 -4.224 1.968 -3.388 1.00 0.00 C ATOM 484 O TYR A 592 -3.328 1.865 -4.225 1.00 0.00 O ATOM 485 CB TYR A 592 -4.845 -0.404 -2.904 1.00 0.00 C ATOM 486 CG TYR A 592 -5.914 -1.469 -2.836 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.704 -1.618 -1.703 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.135 -2.326 -3.907 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.683 -2.590 -1.639 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.111 -3.301 -3.849 1.00 0.00 C ATOM 491 CZ TYR A 592 -7.880 -3.431 -2.709 1.00 0.00 C ATOM 492 OH TYR A 592 -8.859 -4.397 -2.654 1.00 0.00 O ATOM 0 H TYR A 592 -5.389 0.645 -5.415 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.107 1.316 -2.622 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.068 -0.725 -3.597 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.378 -0.307 -1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -6.550 -0.963 -0.858 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -5.534 -2.228 -4.799 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -8.291 -2.689 -0.752 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -7.272 -3.958 -4.691 1.00 0.00 H new ATOM 0 HH TYR A 592 -8.866 -4.904 -3.493 1.00 0.00 H new ATOM 502 N ASP A 593 -4.256 2.935 -2.477 1.00 0.00 N ATOM 503 CA ASP A 593 -3.216 3.956 -2.406 1.00 0.00 C ATOM 504 C ASP A 593 -2.242 3.649 -1.276 1.00 0.00 C ATOM 505 O ASP A 593 -2.632 3.592 -0.109 1.00 0.00 O ATOM 506 CB ASP A 593 -3.838 5.337 -2.193 1.00 0.00 C ATOM 507 CG ASP A 593 -3.582 6.274 -3.358 1.00 0.00 C ATOM 508 OD1 ASP A 593 -2.571 6.079 -4.064 1.00 0.00 O ATOM 509 OD2 ASP A 593 -4.393 7.202 -3.565 1.00 0.00 O ATOM 0 H ASP A 593 -4.991 3.033 -1.777 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.672 3.954 -3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -4.913 5.229 -2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -3.435 5.777 -1.281 1.00 0.00 H new ATOM 514 N VAL A 594 -0.976 3.445 -1.623 1.00 0.00 N ATOM 515 CA VAL A 594 0.039 3.139 -0.622 1.00 0.00 C ATOM 516 C VAL A 594 0.853 4.378 -0.265 1.00 0.00 C ATOM 517 O VAL A 594 1.343 5.092 -1.141 1.00 0.00 O ATOM 518 CB VAL A 594 0.978 2.003 -1.089 1.00 0.00 C ATOM 519 CG1 VAL A 594 0.970 1.888 -2.602 1.00 0.00 C ATOM 520 CG2 VAL A 594 2.396 2.203 -0.569 1.00 0.00 C ATOM 0 H VAL A 594 -0.630 3.485 -2.582 1.00 0.00 H new ATOM 0 HA VAL A 594 -0.487 2.799 0.270 1.00 0.00 H new ATOM 0 HB VAL A 594 0.602 1.069 -0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 594 1.637 1.083 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 594 -0.042 1.672 -2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 594 1.309 2.827 -3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 594 3.029 1.387 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 594 2.789 3.150 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 594 2.385 2.216 0.521 1.00 0.00 H new ATOM 530 N TYR A 595 0.988 4.621 1.033 1.00 0.00 N ATOM 531 CA TYR A 595 1.736 5.764 1.533 1.00 0.00 C ATOM 532 C TYR A 595 3.137 5.343 1.967 1.00 0.00 C ATOM 533 O TYR A 595 3.365 4.187 2.322 1.00 0.00 O ATOM 534 CB TYR A 595 1.001 6.396 2.715 1.00 0.00 C ATOM 535 CG TYR A 595 -0.429 6.790 2.409 1.00 0.00 C ATOM 536 CD1 TYR A 595 -1.466 5.878 2.560 1.00 0.00 C ATOM 537 CD2 TYR A 595 -0.742 8.071 1.961 1.00 0.00 C ATOM 538 CE1 TYR A 595 -2.773 6.227 2.276 1.00 0.00 C ATOM 539 CE2 TYR A 595 -2.049 8.426 1.674 1.00 0.00 C ATOM 540 CZ TYR A 595 -3.057 7.527 1.862 1.00 0.00 C ATOM 541 OH TYR A 595 -4.358 7.851 1.548 1.00 0.00 O ATOM 0 H TYR A 595 0.584 4.034 1.763 1.00 0.00 H new ATOM 0 HA TYR A 595 1.823 6.494 0.729 1.00 0.00 H new ATOM 0 HB2 TYR A 595 1.004 5.694 3.549 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.549 7.280 3.041 1.00 0.00 H new ATOM 0 HD1 TYR A 595 -1.247 4.878 2.905 1.00 0.00 H new ATOM 0 HD2 TYR A 595 0.047 8.798 1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -3.566 5.500 2.374 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -2.270 9.415 1.301 1.00 0.00 H new ATOM 0 HH TYR A 595 -4.405 8.792 1.277 1.00 0.00 H new ATOM 551 N ASN A 596 4.067 6.289 1.940 1.00 0.00 N ATOM 552 CA ASN A 596 5.445 6.020 2.334 1.00 0.00 C ATOM 553 C ASN A 596 5.980 7.148 3.209 1.00 0.00 C ATOM 554 O ASN A 596 6.536 8.127 2.710 1.00 0.00 O ATOM 555 CB ASN A 596 6.330 5.851 1.098 1.00 0.00 C ATOM 556 CG ASN A 596 7.779 5.583 1.454 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.074 4.913 2.444 1.00 0.00 O ATOM 558 ND2 ASN A 596 8.693 6.107 0.646 1.00 0.00 N ATOM 0 H ASN A 596 3.892 7.251 1.649 1.00 0.00 H new ATOM 0 HA ASN A 596 5.463 5.094 2.908 1.00 0.00 H new ATOM 0 HB2 ASN A 596 5.950 5.028 0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 596 6.270 6.751 0.486 1.00 0.00 H new ATOM 0 HD21 ASN A 596 9.685 5.961 0.835 1.00 0.00 H new ATOM 0 HD22 ASN A 596 8.404 6.656 -0.164 1.00 0.00 H new ATOM 565 N GLY A 597 5.799 7.007 4.519 1.00 0.00 N ATOM 566 CA GLY A 597 6.259 8.024 5.444 1.00 0.00 C ATOM 567 C GLY A 597 5.440 9.295 5.349 1.00 0.00 C ATOM 568 O GLY A 597 5.974 10.363 5.051 1.00 0.00 O ATOM 0 H GLY A 597 5.342 6.206 4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.209 7.637 6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 597 7.305 8.252 5.240 1.00 0.00 H new ATOM 572 N THR A 598 4.136 9.173 5.598 1.00 0.00 N ATOM 573 CA THR A 598 3.224 10.312 5.540 1.00 0.00 C ATOM 574 C THR A 598 3.328 11.041 4.203 1.00 0.00 C ATOM 575 O THR A 598 3.298 12.270 4.148 1.00 0.00 O ATOM 576 CB THR A 598 3.485 11.307 6.689 1.00 0.00 C ATOM 577 OG1 THR A 598 4.686 12.049 6.442 1.00 0.00 O ATOM 578 CG2 THR A 598 3.600 10.576 8.019 1.00 0.00 C ATOM 0 H THR A 598 3.687 8.291 5.843 1.00 0.00 H new ATOM 0 HA THR A 598 2.216 9.911 5.647 1.00 0.00 H new ATOM 0 HB THR A 598 2.642 11.996 6.738 1.00 0.00 H new ATOM 0 HG1 THR A 598 5.134 11.691 5.647 1.00 0.00 H new ATOM 0 HG21 THR A 598 3.784 11.297 8.816 1.00 0.00 H new ATOM 0 HG22 THR A 598 2.672 10.041 8.221 1.00 0.00 H new ATOM 0 HG23 THR A 598 4.426 9.866 7.974 1.00 0.00 H new ATOM 586 N ALA A 599 3.448 10.268 3.127 1.00 0.00 N ATOM 587 CA ALA A 599 3.554 10.830 1.785 1.00 0.00 C ATOM 588 C ALA A 599 3.139 9.807 0.732 1.00 0.00 C ATOM 589 O ALA A 599 3.827 8.808 0.523 1.00 0.00 O ATOM 590 CB ALA A 599 4.973 11.313 1.524 1.00 0.00 C ATOM 0 H ALA A 599 3.474 9.249 3.159 1.00 0.00 H new ATOM 0 HA ALA A 599 2.876 11.681 1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 599 5.036 11.730 0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 599 5.236 12.080 2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 599 5.665 10.475 1.614 1.00 0.00 H new ATOM 596 N LEU A 600 2.008 10.062 0.078 1.00 0.00 N ATOM 597 CA LEU A 600 1.491 9.165 -0.952 1.00 0.00 C ATOM 598 C LEU A 600 2.577 8.786 -1.954 1.00 0.00 C ATOM 599 O LEU A 600 3.204 9.653 -2.562 1.00 0.00 O ATOM 600 CB LEU A 600 0.314 9.816 -1.681 1.00 0.00 C ATOM 601 CG LEU A 600 -0.618 8.851 -2.425 1.00 0.00 C ATOM 602 CD1 LEU A 600 -0.103 8.592 -3.832 1.00 0.00 C ATOM 603 CD2 LEU A 600 -0.775 7.540 -1.663 1.00 0.00 C ATOM 0 H LEU A 600 1.430 10.886 0.244 1.00 0.00 H new ATOM 0 HA LEU A 600 1.150 8.255 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.276 10.376 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.707 10.538 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 600 -1.600 9.318 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -0.776 7.905 -4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -0.056 9.532 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 600 0.893 8.152 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -1.441 6.876 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 600 0.200 7.065 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 600 -1.196 7.740 -0.678 1.00 0.00 H new ATOM 615 N ALA A 601 2.793 7.483 -2.119 1.00 0.00 N ATOM 616 CA ALA A 601 3.802 6.986 -3.045 1.00 0.00 C ATOM 617 C ALA A 601 3.165 6.520 -4.354 1.00 0.00 C ATOM 618 O ALA A 601 2.743 7.339 -5.170 1.00 0.00 O ATOM 619 CB ALA A 601 4.602 5.863 -2.400 1.00 0.00 C ATOM 0 H ALA A 601 2.281 6.754 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 601 4.483 7.804 -3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.352 5.501 -3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 601 5.095 6.237 -1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 601 3.932 5.046 -2.132 1.00 0.00 H new ATOM 625 N THR A 602 3.097 5.204 -4.555 1.00 0.00 N ATOM 626 CA THR A 602 2.512 4.653 -5.772 1.00 0.00 C ATOM 627 C THR A 602 1.017 4.388 -5.605 1.00 0.00 C ATOM 628 O THR A 602 0.485 4.413 -4.492 1.00 0.00 O ATOM 629 CB THR A 602 3.218 3.352 -6.206 1.00 0.00 C ATOM 630 OG1 THR A 602 2.829 3.005 -7.540 1.00 0.00 O ATOM 631 CG2 THR A 602 2.886 2.205 -5.265 1.00 0.00 C ATOM 0 H THR A 602 3.438 4.506 -3.894 1.00 0.00 H new ATOM 0 HA THR A 602 2.653 5.403 -6.550 1.00 0.00 H new ATOM 0 HB THR A 602 4.293 3.526 -6.171 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.473 2.368 -7.913 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.398 1.302 -5.597 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.212 2.457 -4.256 1.00 0.00 H new ATOM 0 HG23 THR A 602 1.810 2.033 -5.267 1.00 0.00 H new ATOM 639 N THR A 603 0.353 4.130 -6.726 1.00 0.00 N ATOM 640 CA THR A 603 -1.077 3.852 -6.730 1.00 0.00 C ATOM 641 C THR A 603 -1.373 2.608 -7.557 1.00 0.00 C ATOM 642 O THR A 603 -0.922 2.488 -8.697 1.00 0.00 O ATOM 643 CB THR A 603 -1.879 5.040 -7.298 1.00 0.00 C ATOM 644 OG1 THR A 603 -1.392 6.269 -6.744 1.00 0.00 O ATOM 645 CG2 THR A 603 -3.362 4.893 -6.990 1.00 0.00 C ATOM 0 H THR A 603 0.786 4.108 -7.649 1.00 0.00 H new ATOM 0 HA THR A 603 -1.381 3.688 -5.696 1.00 0.00 H new ATOM 0 HB THR A 603 -1.749 5.051 -8.380 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.709 6.360 -5.821 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.905 5.744 -7.401 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.737 3.972 -7.437 1.00 0.00 H new ATOM 0 HG23 THR A 603 -3.508 4.857 -5.910 1.00 0.00 H new ATOM 653 N VAL A 604 -2.117 1.678 -6.974 1.00 0.00 N ATOM 654 CA VAL A 604 -2.451 0.437 -7.659 1.00 0.00 C ATOM 655 C VAL A 604 -3.946 0.144 -7.589 1.00 0.00 C ATOM 656 O VAL A 604 -4.737 0.990 -7.174 1.00 0.00 O ATOM 657 CB VAL A 604 -1.670 -0.744 -7.060 1.00 0.00 C ATOM 658 CG1 VAL A 604 -0.197 -0.641 -7.423 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.849 -0.791 -5.550 1.00 0.00 C ATOM 0 H VAL A 604 -2.499 1.759 -6.032 1.00 0.00 H new ATOM 0 HA VAL A 604 -2.171 0.562 -8.705 1.00 0.00 H new ATOM 0 HB VAL A 604 -2.064 -1.670 -7.479 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.344 -1.484 -6.992 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -0.088 -0.656 -8.507 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.210 0.291 -7.030 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.289 -1.633 -5.143 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.480 0.136 -5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -2.906 -0.909 -5.312 1.00 0.00 H new ATOM 669 N THR A 605 -4.324 -1.063 -8.003 1.00 0.00 N ATOM 670 CA THR A 605 -5.722 -1.477 -7.994 1.00 0.00 C ATOM 671 C THR A 605 -5.849 -2.965 -7.679 1.00 0.00 C ATOM 672 O THR A 605 -6.870 -3.415 -7.159 1.00 0.00 O ATOM 673 CB THR A 605 -6.400 -1.198 -9.349 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.659 -1.822 -10.404 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.500 0.298 -9.610 1.00 0.00 C ATOM 0 H THR A 605 -3.678 -1.772 -8.350 1.00 0.00 H new ATOM 0 HA THR A 605 -6.219 -0.895 -7.218 1.00 0.00 H new ATOM 0 HB THR A 605 -7.408 -1.612 -9.317 1.00 0.00 H new ATOM 0 HG1 THR A 605 -6.097 -1.642 -11.262 1.00 0.00 H new ATOM 0 HG21 THR A 605 -6.982 0.468 -10.573 1.00 0.00 H new ATOM 0 HG22 THR A 605 -7.089 0.766 -8.821 1.00 0.00 H new ATOM 0 HG23 THR A 605 -5.500 0.733 -9.623 1.00 0.00 H new ATOM 683 N GLY A 606 -4.804 -3.724 -8.005 1.00 0.00 N ATOM 684 CA GLY A 606 -4.816 -5.155 -7.758 1.00 0.00 C ATOM 685 C GLY A 606 -4.525 -5.507 -6.312 1.00 0.00 C ATOM 686 O GLY A 606 -5.320 -5.205 -5.422 1.00 0.00 O ATOM 0 H GLY A 606 -3.949 -3.372 -8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.790 -5.558 -8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -4.077 -5.635 -8.399 1.00 0.00 H new ATOM 690 N THR A 607 -3.385 -6.153 -6.078 1.00 0.00 N ATOM 691 CA THR A 607 -2.995 -6.551 -4.730 1.00 0.00 C ATOM 692 C THR A 607 -1.505 -6.321 -4.495 1.00 0.00 C ATOM 693 O THR A 607 -0.975 -6.661 -3.437 1.00 0.00 O ATOM 694 CB THR A 607 -3.319 -8.033 -4.467 1.00 0.00 C ATOM 695 OG1 THR A 607 -2.952 -8.824 -5.603 1.00 0.00 O ATOM 696 CG2 THR A 607 -4.799 -8.220 -4.172 1.00 0.00 C ATOM 0 H THR A 607 -2.717 -6.411 -6.804 1.00 0.00 H new ATOM 0 HA THR A 607 -3.568 -5.931 -4.041 1.00 0.00 H new ATOM 0 HB THR A 607 -2.747 -8.357 -3.598 1.00 0.00 H new ATOM 0 HG1 THR A 607 -3.160 -9.765 -5.427 1.00 0.00 H new ATOM 0 HG21 THR A 607 -5.003 -9.275 -3.990 1.00 0.00 H new ATOM 0 HG22 THR A 607 -5.070 -7.640 -3.290 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.386 -7.879 -5.025 1.00 0.00 H new ATOM 704 N THR A 608 -0.834 -5.744 -5.488 1.00 0.00 N ATOM 705 CA THR A 608 0.596 -5.472 -5.388 1.00 0.00 C ATOM 706 C THR A 608 0.908 -4.024 -5.754 1.00 0.00 C ATOM 707 O THR A 608 0.250 -3.438 -6.613 1.00 0.00 O ATOM 708 CB THR A 608 1.409 -6.404 -6.305 1.00 0.00 C ATOM 709 OG1 THR A 608 0.920 -6.319 -7.649 1.00 0.00 O ATOM 710 CG2 THR A 608 1.328 -7.845 -5.822 1.00 0.00 C ATOM 0 H THR A 608 -1.257 -5.456 -6.370 1.00 0.00 H new ATOM 0 HA THR A 608 0.880 -5.652 -4.351 1.00 0.00 H new ATOM 0 HB THR A 608 2.451 -6.085 -6.277 1.00 0.00 H new ATOM 0 HG1 THR A 608 1.444 -6.913 -8.226 1.00 0.00 H new ATOM 0 HG21 THR A 608 1.910 -8.484 -6.486 1.00 0.00 H new ATOM 0 HG22 THR A 608 1.728 -7.913 -4.810 1.00 0.00 H new ATOM 0 HG23 THR A 608 0.288 -8.171 -5.824 1.00 0.00 H new ATOM 718 N ALA A 609 1.916 -3.453 -5.098 1.00 0.00 N ATOM 719 CA ALA A 609 2.321 -2.073 -5.352 1.00 0.00 C ATOM 720 C ALA A 609 3.798 -1.996 -5.727 1.00 0.00 C ATOM 721 O ALA A 609 4.640 -2.641 -5.102 1.00 0.00 O ATOM 722 CB ALA A 609 2.041 -1.210 -4.131 1.00 0.00 C ATOM 0 H ALA A 609 2.469 -3.927 -4.384 1.00 0.00 H new ATOM 0 HA ALA A 609 1.738 -1.697 -6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.347 -0.184 -4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 609 0.975 -1.233 -3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.600 -1.594 -3.278 1.00 0.00 H new ATOM 728 N THR A 610 4.106 -1.203 -6.750 1.00 0.00 N ATOM 729 CA THR A 610 5.482 -1.043 -7.207 1.00 0.00 C ATOM 730 C THR A 610 5.934 0.410 -7.092 1.00 0.00 C ATOM 731 O THR A 610 5.249 1.321 -7.556 1.00 0.00 O ATOM 732 CB THR A 610 5.649 -1.505 -8.667 1.00 0.00 C ATOM 733 OG1 THR A 610 4.429 -2.090 -9.137 1.00 0.00 O ATOM 734 CG2 THR A 610 6.782 -2.512 -8.790 1.00 0.00 C ATOM 0 H THR A 610 3.421 -0.662 -7.277 1.00 0.00 H new ATOM 0 HA THR A 610 6.102 -1.667 -6.564 1.00 0.00 H new ATOM 0 HB THR A 610 5.892 -0.634 -9.276 1.00 0.00 H new ATOM 0 HG1 THR A 610 4.542 -2.380 -10.066 1.00 0.00 H new ATOM 0 HG21 THR A 610 6.881 -2.824 -9.830 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.714 -2.054 -8.459 1.00 0.00 H new ATOM 0 HG23 THR A 610 6.565 -3.382 -8.170 1.00 0.00 H new ATOM 742 N ILE A 611 7.091 0.620 -6.470 1.00 0.00 N ATOM 743 CA ILE A 611 7.632 1.963 -6.293 1.00 0.00 C ATOM 744 C ILE A 611 9.051 2.060 -6.846 1.00 0.00 C ATOM 745 O ILE A 611 9.954 1.356 -6.394 1.00 0.00 O ATOM 746 CB ILE A 611 7.636 2.373 -4.806 1.00 0.00 C ATOM 747 CG1 ILE A 611 6.210 2.375 -4.254 1.00 0.00 C ATOM 748 CG2 ILE A 611 8.279 3.743 -4.630 1.00 0.00 C ATOM 749 CD1 ILE A 611 5.988 1.369 -3.145 1.00 0.00 C ATOM 0 H ILE A 611 7.671 -0.123 -6.080 1.00 0.00 H new ATOM 0 HA ILE A 611 6.985 2.644 -6.846 1.00 0.00 H new ATOM 0 HB ILE A 611 8.224 1.645 -4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 611 5.975 3.372 -3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.514 2.167 -5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 611 8.273 4.015 -3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 611 9.307 3.711 -4.990 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.718 4.484 -5.199 1.00 0.00 H new ATOM 0 HD11 ILE A 611 4.955 1.427 -2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.191 0.365 -3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.658 1.589 -2.314 1.00 0.00 H new ATOM 761 N SER A 612 9.239 2.939 -7.827 1.00 0.00 N ATOM 762 CA SER A 612 10.547 3.131 -8.444 1.00 0.00 C ATOM 763 C SER A 612 11.146 4.476 -8.048 1.00 0.00 C ATOM 764 O SER A 612 10.483 5.510 -8.129 1.00 0.00 O ATOM 765 CB SER A 612 10.434 3.042 -9.967 1.00 0.00 C ATOM 766 OG SER A 612 9.254 2.358 -10.352 1.00 0.00 O ATOM 0 H SER A 612 8.501 3.529 -8.211 1.00 0.00 H new ATOM 0 HA SER A 612 11.207 2.340 -8.087 1.00 0.00 H new ATOM 0 HB2 SER A 612 10.432 4.045 -10.394 1.00 0.00 H new ATOM 0 HB3 SER A 612 11.305 2.526 -10.370 1.00 0.00 H new ATOM 0 HG SER A 612 9.204 2.316 -11.330 1.00 0.00 H new ATOM 772 N GLY A 613 12.406 4.454 -7.624 1.00 0.00 N ATOM 773 CA GLY A 613 13.077 5.677 -7.224 1.00 0.00 C ATOM 774 C GLY A 613 13.454 5.682 -5.755 1.00 0.00 C ATOM 775 O GLY A 613 13.011 6.546 -4.997 1.00 0.00 O ATOM 0 H GLY A 613 12.974 3.610 -7.550 1.00 0.00 H new ATOM 0 HA2 GLY A 613 13.976 5.807 -7.826 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.428 6.528 -7.432 1.00 0.00 H new ATOM 779 N LEU A 614 14.277 4.718 -5.354 1.00 0.00 N ATOM 780 CA LEU A 614 14.718 4.614 -3.966 1.00 0.00 C ATOM 781 C LEU A 614 16.235 4.483 -3.891 1.00 0.00 C ATOM 782 O LEU A 614 16.908 4.366 -4.916 1.00 0.00 O ATOM 783 CB LEU A 614 14.054 3.416 -3.282 1.00 0.00 C ATOM 784 CG LEU A 614 12.535 3.345 -3.427 1.00 0.00 C ATOM 785 CD1 LEU A 614 12.059 1.903 -3.342 1.00 0.00 C ATOM 786 CD2 LEU A 614 11.870 4.190 -2.356 1.00 0.00 C ATOM 0 H LEU A 614 14.652 3.997 -5.970 1.00 0.00 H new ATOM 0 HA LEU A 614 14.422 5.525 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 614 14.485 2.501 -3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 614 14.301 3.441 -2.221 1.00 0.00 H new ATOM 0 HG LEU A 614 12.257 3.739 -4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 614 10.975 1.871 -3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 614 12.518 1.321 -4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 614 12.342 1.483 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 614 10.787 4.133 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 614 12.153 3.818 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 614 12.191 5.227 -2.459 1.00 0.00 H new ATOM 798 N ALA A 615 16.767 4.507 -2.674 1.00 0.00 N ATOM 799 CA ALA A 615 18.206 4.393 -2.467 1.00 0.00 C ATOM 800 C ALA A 615 18.528 3.370 -1.382 1.00 0.00 C ATOM 801 O ALA A 615 17.788 3.231 -0.407 1.00 0.00 O ATOM 802 CB ALA A 615 18.796 5.749 -2.109 1.00 0.00 C ATOM 0 H ALA A 615 16.224 4.604 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 615 18.655 4.047 -3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 615 19.871 5.650 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 615 18.608 6.453 -2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 615 18.333 6.117 -1.194 1.00 0.00 H new ATOM 808 N ALA A 616 19.635 2.656 -1.559 1.00 0.00 N ATOM 809 CA ALA A 616 20.058 1.644 -0.597 1.00 0.00 C ATOM 810 C ALA A 616 20.478 2.281 0.724 1.00 0.00 C ATOM 811 O ALA A 616 20.556 3.504 0.837 1.00 0.00 O ATOM 812 CB ALA A 616 21.199 0.818 -1.172 1.00 0.00 C ATOM 0 H ALA A 616 20.256 2.760 -2.361 1.00 0.00 H new ATOM 0 HA ALA A 616 19.210 0.989 -0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.506 0.066 -0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 616 20.867 0.325 -2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 616 22.043 1.470 -1.398 1.00 0.00 H new ATOM 818 N ASP A 617 20.751 1.440 1.719 1.00 0.00 N ATOM 819 CA ASP A 617 21.168 1.912 3.035 1.00 0.00 C ATOM 820 C ASP A 617 20.153 2.896 3.614 1.00 0.00 C ATOM 821 O ASP A 617 20.524 3.879 4.257 1.00 0.00 O ATOM 822 CB ASP A 617 22.548 2.570 2.950 1.00 0.00 C ATOM 823 CG ASP A 617 23.673 1.597 3.245 1.00 0.00 C ATOM 824 OD1 ASP A 617 23.501 0.390 2.973 1.00 0.00 O ATOM 825 OD2 ASP A 617 24.726 2.040 3.749 1.00 0.00 O ATOM 0 H ASP A 617 20.690 0.425 1.637 1.00 0.00 H new ATOM 0 HA ASP A 617 21.224 1.050 3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.686 2.990 1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.595 3.400 3.655 1.00 0.00 H new ATOM 830 N THR A 618 18.871 2.624 3.383 1.00 0.00 N ATOM 831 CA THR A 618 17.806 3.488 3.883 1.00 0.00 C ATOM 832 C THR A 618 16.647 2.673 4.447 1.00 0.00 C ATOM 833 O THR A 618 16.505 1.486 4.151 1.00 0.00 O ATOM 834 CB THR A 618 17.268 4.417 2.779 1.00 0.00 C ATOM 835 OG1 THR A 618 18.308 4.728 1.846 1.00 0.00 O ATOM 836 CG2 THR A 618 16.715 5.703 3.378 1.00 0.00 C ATOM 0 H THR A 618 18.546 1.815 2.854 1.00 0.00 H new ATOM 0 HA THR A 618 18.244 4.091 4.678 1.00 0.00 H new ATOM 0 HB THR A 618 16.462 3.898 2.260 1.00 0.00 H new ATOM 0 HG1 THR A 618 18.198 4.182 1.040 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.340 6.344 2.580 1.00 0.00 H new ATOM 0 HG22 THR A 618 15.902 5.465 4.064 1.00 0.00 H new ATOM 0 HG23 THR A 618 17.506 6.222 3.919 1.00 0.00 H new ATOM 844 N SER A 619 15.819 3.324 5.258 1.00 0.00 N ATOM 845 CA SER A 619 14.665 2.670 5.864 1.00 0.00 C ATOM 846 C SER A 619 13.373 3.365 5.445 1.00 0.00 C ATOM 847 O SER A 619 13.240 4.582 5.581 1.00 0.00 O ATOM 848 CB SER A 619 14.790 2.677 7.389 1.00 0.00 C ATOM 849 OG SER A 619 16.113 2.367 7.793 1.00 0.00 O ATOM 0 H SER A 619 15.926 4.306 5.511 1.00 0.00 H new ATOM 0 HA SER A 619 14.635 1.638 5.516 1.00 0.00 H new ATOM 0 HB2 SER A 619 14.508 3.656 7.776 1.00 0.00 H new ATOM 0 HB3 SER A 619 14.096 1.953 7.817 1.00 0.00 H new ATOM 0 HG SER A 619 16.168 2.379 8.771 1.00 0.00 H new ATOM 855 N TYR A 620 12.426 2.587 4.932 1.00 0.00 N ATOM 856 CA TYR A 620 11.149 3.134 4.489 1.00 0.00 C ATOM 857 C TYR A 620 9.982 2.447 5.189 1.00 0.00 C ATOM 858 O TYR A 620 10.058 1.270 5.541 1.00 0.00 O ATOM 859 CB TYR A 620 11.003 2.983 2.973 1.00 0.00 C ATOM 860 CG TYR A 620 12.138 3.602 2.187 1.00 0.00 C ATOM 861 CD1 TYR A 620 12.260 4.981 2.075 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.089 2.807 1.557 1.00 0.00 C ATOM 863 CE1 TYR A 620 13.296 5.551 1.360 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.128 3.369 0.841 1.00 0.00 C ATOM 865 CZ TYR A 620 14.223 4.739 0.738 1.00 0.00 C ATOM 866 OH TYR A 620 15.260 5.304 0.032 1.00 0.00 O ATOM 0 H TYR A 620 12.518 1.578 4.813 1.00 0.00 H new ATOM 0 HA TYR A 620 11.132 4.192 4.749 1.00 0.00 H new ATOM 0 HB2 TYR A 620 10.938 1.923 2.727 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.064 3.441 2.660 1.00 0.00 H new ATOM 0 HD1 TYR A 620 11.533 5.619 2.555 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.014 1.732 1.629 1.00 0.00 H new ATOM 0 HE1 TYR A 620 13.380 6.625 1.288 1.00 0.00 H new ATOM 0 HE2 TYR A 620 14.862 2.737 0.364 1.00 0.00 H new ATOM 0 HH TYR A 620 16.082 4.797 0.197 1.00 0.00 H new ATOM 876 N THR A 621 8.898 3.192 5.381 1.00 0.00 N ATOM 877 CA THR A 621 7.707 2.664 6.029 1.00 0.00 C ATOM 878 C THR A 621 6.489 2.844 5.130 1.00 0.00 C ATOM 879 O THR A 621 5.987 3.957 4.965 1.00 0.00 O ATOM 880 CB THR A 621 7.447 3.354 7.381 1.00 0.00 C ATOM 881 OG1 THR A 621 7.379 4.774 7.202 1.00 0.00 O ATOM 882 CG2 THR A 621 8.545 3.017 8.377 1.00 0.00 C ATOM 0 H THR A 621 8.822 4.168 5.095 1.00 0.00 H new ATOM 0 HA THR A 621 7.878 1.602 6.209 1.00 0.00 H new ATOM 0 HB THR A 621 6.496 2.992 7.773 1.00 0.00 H new ATOM 0 HG1 THR A 621 6.898 4.976 6.372 1.00 0.00 H new ATOM 0 HG21 THR A 621 8.342 3.515 9.325 1.00 0.00 H new ATOM 0 HG22 THR A 621 8.577 1.939 8.533 1.00 0.00 H new ATOM 0 HG23 THR A 621 9.505 3.356 7.988 1.00 0.00 H new ATOM 890 N PHE A 622 6.024 1.747 4.540 1.00 0.00 N ATOM 891 CA PHE A 622 4.876 1.794 3.643 1.00 0.00 C ATOM 892 C PHE A 622 3.595 1.350 4.341 1.00 0.00 C ATOM 893 O PHE A 622 3.629 0.632 5.340 1.00 0.00 O ATOM 894 CB PHE A 622 5.119 0.914 2.417 1.00 0.00 C ATOM 895 CG PHE A 622 6.305 1.332 1.595 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.176 2.297 0.609 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.549 0.758 1.807 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.265 2.682 -0.150 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.641 1.140 1.052 1.00 0.00 C ATOM 900 CZ PHE A 622 8.499 2.103 0.072 1.00 0.00 C ATOM 0 H PHE A 622 6.424 0.817 4.667 1.00 0.00 H new ATOM 0 HA PHE A 622 4.753 2.831 3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.260 -0.116 2.743 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.229 0.930 1.788 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.213 2.754 0.432 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.666 0.004 2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.151 3.435 -0.916 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.605 0.686 1.228 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.351 2.403 -0.520 1.00 0.00 H new ATOM 910 N THR A 623 2.468 1.782 3.787 1.00 0.00 N ATOM 911 CA THR A 623 1.154 1.441 4.316 1.00 0.00 C ATOM 912 C THR A 623 0.127 1.461 3.193 1.00 0.00 C ATOM 913 O THR A 623 0.115 2.380 2.378 1.00 0.00 O ATOM 914 CB THR A 623 0.712 2.422 5.418 1.00 0.00 C ATOM 915 OG1 THR A 623 1.148 3.748 5.097 1.00 0.00 O ATOM 916 CG2 THR A 623 1.277 2.012 6.770 1.00 0.00 C ATOM 0 H THR A 623 2.440 2.378 2.960 1.00 0.00 H new ATOM 0 HA THR A 623 1.222 0.444 4.751 1.00 0.00 H new ATOM 0 HB THR A 623 -0.376 2.400 5.476 1.00 0.00 H new ATOM 0 HG1 THR A 623 0.862 4.366 5.802 1.00 0.00 H new ATOM 0 HG21 THR A 623 0.950 2.721 7.531 1.00 0.00 H new ATOM 0 HG22 THR A 623 0.920 1.014 7.026 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.366 2.007 6.723 1.00 0.00 H new ATOM 924 N VAL A 624 -0.726 0.447 3.134 1.00 0.00 N ATOM 925 CA VAL A 624 -1.730 0.378 2.080 1.00 0.00 C ATOM 926 C VAL A 624 -3.092 0.857 2.559 1.00 0.00 C ATOM 927 O VAL A 624 -3.503 0.589 3.688 1.00 0.00 O ATOM 928 CB VAL A 624 -1.867 -1.044 1.502 1.00 0.00 C ATOM 929 CG1 VAL A 624 -0.971 -1.212 0.287 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.550 -2.095 2.556 1.00 0.00 C ATOM 0 H VAL A 624 -0.744 -0.330 3.794 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.379 1.044 1.292 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.902 -1.186 1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -1.080 -2.222 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -1.256 -0.490 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 624 0.067 -1.045 0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.654 -3.089 2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.528 -1.959 2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -2.240 -1.991 3.393 1.00 0.00 H new ATOM 940 N LYS A 625 -3.783 1.572 1.679 1.00 0.00 N ATOM 941 CA LYS A 625 -5.103 2.109 1.975 1.00 0.00 C ATOM 942 C LYS A 625 -6.084 1.762 0.861 1.00 0.00 C ATOM 943 O LYS A 625 -5.688 1.584 -0.291 1.00 0.00 O ATOM 944 CB LYS A 625 -5.016 3.618 2.151 1.00 0.00 C ATOM 945 CG LYS A 625 -4.903 4.036 3.603 1.00 0.00 C ATOM 946 CD LYS A 625 -6.091 4.867 4.021 1.00 0.00 C ATOM 947 CE LYS A 625 -5.960 5.338 5.457 1.00 0.00 C ATOM 948 NZ LYS A 625 -4.915 6.390 5.602 1.00 0.00 N ATOM 0 H LYS A 625 -3.444 1.795 0.743 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.466 1.662 2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.153 3.994 1.602 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -5.900 4.082 1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.833 3.151 4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -3.986 4.606 3.751 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.184 5.729 3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -7.004 4.281 3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -6.918 5.728 5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -5.713 4.490 6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -4.914 6.746 6.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -3.983 5.986 5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -5.118 7.173 4.949 1.00 0.00 H new ATOM 962 N ALA A 626 -7.364 1.661 1.206 1.00 0.00 N ATOM 963 CA ALA A 626 -8.392 1.328 0.225 1.00 0.00 C ATOM 964 C ALA A 626 -9.298 2.520 -0.060 1.00 0.00 C ATOM 965 O ALA A 626 -9.606 3.306 0.834 1.00 0.00 O ATOM 966 CB ALA A 626 -9.215 0.144 0.708 1.00 0.00 C ATOM 0 H ALA A 626 -7.713 1.804 2.153 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.892 1.059 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -9.978 -0.095 -0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.564 -0.719 0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.694 0.395 1.654 1.00 0.00 H new ATOM 972 N LYS A 627 -9.728 2.645 -1.311 1.00 0.00 N ATOM 973 CA LYS A 627 -10.607 3.737 -1.712 1.00 0.00 C ATOM 974 C LYS A 627 -11.900 3.192 -2.306 1.00 0.00 C ATOM 975 O LYS A 627 -12.063 1.982 -2.451 1.00 0.00 O ATOM 976 CB LYS A 627 -9.909 4.648 -2.726 1.00 0.00 C ATOM 977 CG LYS A 627 -8.432 4.337 -2.921 1.00 0.00 C ATOM 978 CD LYS A 627 -8.000 4.540 -4.366 1.00 0.00 C ATOM 979 CE LYS A 627 -8.216 5.975 -4.826 1.00 0.00 C ATOM 980 NZ LYS A 627 -7.656 6.962 -3.861 1.00 0.00 N ATOM 0 H LYS A 627 -9.482 2.003 -2.065 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.847 4.322 -0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -10.418 4.563 -3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -10.012 5.683 -2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -7.836 4.977 -2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -8.235 3.307 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -6.947 4.280 -4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -8.561 3.864 -5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -7.750 6.117 -5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -9.283 6.158 -4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -7.624 7.902 -4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -8.258 6.999 -3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -6.694 6.675 -3.590 1.00 0.00 H new ATOM 994 N ASP A 628 -12.818 4.090 -2.650 1.00 0.00 N ATOM 995 CA ASP A 628 -14.094 3.687 -3.227 1.00 0.00 C ATOM 996 C ASP A 628 -14.488 4.614 -4.376 1.00 0.00 C ATOM 997 O ASP A 628 -13.836 5.630 -4.617 1.00 0.00 O ATOM 998 CB ASP A 628 -15.183 3.670 -2.149 1.00 0.00 C ATOM 999 CG ASP A 628 -16.156 4.829 -2.270 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -15.754 5.975 -1.981 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -17.320 4.587 -2.652 1.00 0.00 O ATOM 0 H ASP A 628 -12.702 5.097 -2.539 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.987 2.679 -3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -15.734 2.732 -2.212 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -14.714 3.698 -1.166 1.00 0.00 H new ATOM 1006 N ALA A 629 -15.552 4.250 -5.084 1.00 0.00 N ATOM 1007 CA ALA A 629 -16.030 5.041 -6.211 1.00 0.00 C ATOM 1008 C ALA A 629 -16.932 6.182 -5.747 1.00 0.00 C ATOM 1009 O ALA A 629 -17.965 6.457 -6.360 1.00 0.00 O ATOM 1010 CB ALA A 629 -16.767 4.152 -7.201 1.00 0.00 C ATOM 0 H ALA A 629 -16.100 3.411 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 629 -15.164 5.481 -6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -17.119 4.754 -8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -16.092 3.379 -7.568 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -17.619 3.685 -6.706 1.00 0.00 H new ATOM 1016 N ALA A 630 -16.535 6.844 -4.665 1.00 0.00 N ATOM 1017 CA ALA A 630 -17.309 7.955 -4.124 1.00 0.00 C ATOM 1018 C ALA A 630 -16.406 8.969 -3.431 1.00 0.00 C ATOM 1019 O ALA A 630 -16.858 10.037 -3.018 1.00 0.00 O ATOM 1020 CB ALA A 630 -18.366 7.439 -3.159 1.00 0.00 C ATOM 0 H ALA A 630 -15.683 6.631 -4.146 1.00 0.00 H new ATOM 0 HA ALA A 630 -17.804 8.459 -4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -18.937 8.278 -2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -19.037 6.759 -3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.882 6.909 -2.339 1.00 0.00 H new ATOM 1026 N GLY A 631 -15.127 8.628 -3.307 1.00 0.00 N ATOM 1027 CA GLY A 631 -14.181 9.520 -2.664 1.00 0.00 C ATOM 1028 C GLY A 631 -14.026 9.230 -1.184 1.00 0.00 C ATOM 1029 O GLY A 631 -13.846 10.146 -0.380 1.00 0.00 O ATOM 0 H GLY A 631 -14.729 7.750 -3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -13.211 9.429 -3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -14.510 10.551 -2.797 1.00 0.00 H new ATOM 1033 N ASN A 632 -14.096 7.953 -0.824 1.00 0.00 N ATOM 1034 CA ASN A 632 -13.961 7.539 0.567 1.00 0.00 C ATOM 1035 C ASN A 632 -12.764 6.612 0.742 1.00 0.00 C ATOM 1036 O ASN A 632 -12.517 5.737 -0.089 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.236 6.838 1.040 1.00 0.00 C ATOM 1038 CG ASN A 632 -16.467 7.709 0.879 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -16.368 8.932 0.779 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -17.636 7.080 0.853 1.00 0.00 N ATOM 0 H ASN A 632 -14.246 7.185 -1.479 1.00 0.00 H new ATOM 0 HA ASN A 632 -13.801 8.431 1.172 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.371 5.915 0.476 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -15.126 6.558 2.088 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -18.499 7.613 0.747 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -17.671 6.064 0.939 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.023 6.809 1.827 1.00 0.00 N ATOM 1048 CA VAL A 633 -10.850 5.992 2.108 1.00 0.00 C ATOM 1049 C VAL A 633 -11.049 5.156 3.368 1.00 0.00 C ATOM 1050 O VAL A 633 -11.786 5.544 4.275 1.00 0.00 O ATOM 1051 CB VAL A 633 -9.588 6.858 2.276 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -9.279 7.614 0.992 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -9.757 7.819 3.440 1.00 0.00 C ATOM 0 H VAL A 633 -12.214 7.527 2.526 1.00 0.00 H new ATOM 0 HA VAL A 633 -10.716 5.330 1.253 1.00 0.00 H new ATOM 0 HB VAL A 633 -8.745 6.201 2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -8.384 8.220 1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -9.113 6.903 0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -10.119 8.261 0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -8.857 8.424 3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -10.612 8.469 3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -9.924 7.254 4.357 1.00 0.00 H new ATOM 1063 N SER A 634 -10.382 4.008 3.415 1.00 0.00 N ATOM 1064 CA SER A 634 -10.472 3.112 4.561 1.00 0.00 C ATOM 1065 C SER A 634 -9.393 3.448 5.584 1.00 0.00 C ATOM 1066 O SER A 634 -8.872 4.562 5.601 1.00 0.00 O ATOM 1067 CB SER A 634 -10.336 1.658 4.104 1.00 0.00 C ATOM 1068 OG SER A 634 -10.846 1.484 2.794 1.00 0.00 O ATOM 0 H SER A 634 -9.771 3.675 2.669 1.00 0.00 H new ATOM 0 HA SER A 634 -11.447 3.243 5.031 1.00 0.00 H new ATOM 0 HB2 SER A 634 -9.287 1.362 4.131 1.00 0.00 H new ATOM 0 HB3 SER A 634 -10.870 1.005 4.795 1.00 0.00 H new ATOM 0 HG SER A 634 -10.328 2.030 2.166 1.00 0.00 H new ATOM 1074 N ALA A 635 -9.053 2.480 6.430 1.00 0.00 N ATOM 1075 CA ALA A 635 -8.027 2.684 7.444 1.00 0.00 C ATOM 1076 C ALA A 635 -6.649 2.337 6.892 1.00 0.00 C ATOM 1077 O ALA A 635 -6.528 1.575 5.933 1.00 0.00 O ATOM 1078 CB ALA A 635 -8.329 1.849 8.680 1.00 0.00 C ATOM 0 H ALA A 635 -9.472 1.550 6.433 1.00 0.00 H new ATOM 0 HA ALA A 635 -8.028 3.737 7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -7.553 2.013 9.428 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -9.296 2.142 9.090 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -8.355 0.794 8.409 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.611 2.900 7.499 1.00 0.00 N ATOM 1085 CA ALA A 636 -4.245 2.646 7.063 1.00 0.00 C ATOM 1086 C ALA A 636 -3.743 1.311 7.603 1.00 0.00 C ATOM 1087 O ALA A 636 -3.617 1.130 8.814 1.00 0.00 O ATOM 1088 CB ALA A 636 -3.330 3.778 7.505 1.00 0.00 C ATOM 0 H ALA A 636 -5.690 3.535 8.294 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.236 2.596 5.974 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -2.312 3.574 7.172 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.674 4.716 7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -3.347 3.856 8.592 1.00 0.00 H new ATOM 1094 N SER A 637 -3.462 0.380 6.695 1.00 0.00 N ATOM 1095 CA SER A 637 -2.977 -0.943 7.073 1.00 0.00 C ATOM 1096 C SER A 637 -1.704 -0.845 7.909 1.00 0.00 C ATOM 1097 O SER A 637 -1.142 0.237 8.081 1.00 0.00 O ATOM 1098 CB SER A 637 -2.716 -1.787 5.824 1.00 0.00 C ATOM 1099 OG SER A 637 -1.329 -2.007 5.636 1.00 0.00 O ATOM 0 H SER A 637 -3.562 0.519 5.689 1.00 0.00 H new ATOM 0 HA SER A 637 -3.747 -1.423 7.677 1.00 0.00 H new ATOM 0 HB2 SER A 637 -3.230 -2.744 5.914 1.00 0.00 H new ATOM 0 HB3 SER A 637 -3.129 -1.285 4.949 1.00 0.00 H new ATOM 0 HG SER A 637 -1.192 -2.868 5.189 1.00 0.00 H new ATOM 1105 N ASN A 638 -1.254 -1.985 8.423 1.00 0.00 N ATOM 1106 CA ASN A 638 -0.046 -2.033 9.240 1.00 0.00 C ATOM 1107 C ASN A 638 1.154 -1.491 8.469 1.00 0.00 C ATOM 1108 O ASN A 638 1.237 -1.637 7.250 1.00 0.00 O ATOM 1109 CB ASN A 638 0.231 -3.465 9.697 1.00 0.00 C ATOM 1110 CG ASN A 638 -1.043 -4.252 9.935 1.00 0.00 C ATOM 1111 OD1 ASN A 638 -1.316 -5.238 9.248 1.00 0.00 O ATOM 1112 ND2 ASN A 638 -1.832 -3.818 10.911 1.00 0.00 N ATOM 0 H ASN A 638 -1.708 -2.889 8.288 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.206 -1.405 10.117 1.00 0.00 H new ATOM 0 HB2 ASN A 638 0.834 -3.973 8.945 1.00 0.00 H new ATOM 0 HB3 ASN A 638 0.818 -3.443 10.615 1.00 0.00 H new ATOM 0 HD21 ASN A 638 -2.704 -4.306 11.117 1.00 0.00 H new ATOM 0 HD22 ASN A 638 -1.566 -2.997 11.455 1.00 0.00 H new ATOM 1119 N ALA A 639 2.078 -0.866 9.190 1.00 0.00 N ATOM 1120 CA ALA A 639 3.273 -0.301 8.574 1.00 0.00 C ATOM 1121 C ALA A 639 4.321 -1.378 8.322 1.00 0.00 C ATOM 1122 O ALA A 639 4.526 -2.267 9.148 1.00 0.00 O ATOM 1123 CB ALA A 639 3.846 0.803 9.448 1.00 0.00 C ATOM 0 H ALA A 639 2.023 -0.738 10.200 1.00 0.00 H new ATOM 0 HA ALA A 639 2.989 0.125 7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 639 4.738 1.215 8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 639 3.103 1.591 9.572 1.00 0.00 H new ATOM 0 HB3 ALA A 639 4.108 0.395 10.424 1.00 0.00 H new ATOM 1129 N VAL A 640 4.983 -1.288 7.172 1.00 0.00 N ATOM 1130 CA VAL A 640 6.014 -2.250 6.803 1.00 0.00 C ATOM 1131 C VAL A 640 7.375 -1.572 6.682 1.00 0.00 C ATOM 1132 O VAL A 640 7.654 -0.886 5.697 1.00 0.00 O ATOM 1133 CB VAL A 640 5.676 -2.949 5.471 1.00 0.00 C ATOM 1134 CG1 VAL A 640 4.657 -4.055 5.692 1.00 0.00 C ATOM 1135 CG2 VAL A 640 5.166 -1.940 4.453 1.00 0.00 C ATOM 0 H VAL A 640 4.823 -0.557 6.479 1.00 0.00 H new ATOM 0 HA VAL A 640 6.053 -2.998 7.595 1.00 0.00 H new ATOM 0 HB VAL A 640 6.587 -3.400 5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 640 4.431 -4.537 4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 640 5.064 -4.792 6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 640 3.744 -3.630 6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 640 4.933 -2.452 3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 640 4.267 -1.458 4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 640 5.933 -1.186 4.272 1.00 0.00 H new ATOM 1145 N SER A 641 8.220 -1.767 7.689 1.00 0.00 N ATOM 1146 CA SER A 641 9.552 -1.173 7.694 1.00 0.00 C ATOM 1147 C SER A 641 10.532 -2.031 6.902 1.00 0.00 C ATOM 1148 O SER A 641 10.945 -3.098 7.355 1.00 0.00 O ATOM 1149 CB SER A 641 10.051 -1.001 9.130 1.00 0.00 C ATOM 1150 OG SER A 641 11.433 -0.689 9.156 1.00 0.00 O ATOM 0 H SER A 641 8.006 -2.331 8.511 1.00 0.00 H new ATOM 0 HA SER A 641 9.488 -0.194 7.219 1.00 0.00 H new ATOM 0 HB2 SER A 641 9.487 -0.209 9.622 1.00 0.00 H new ATOM 0 HB3 SER A 641 9.871 -1.917 9.693 1.00 0.00 H new ATOM 0 HG SER A 641 11.727 -0.583 10.085 1.00 0.00 H new ATOM 1156 N VAL A 642 10.896 -1.557 5.715 1.00 0.00 N ATOM 1157 CA VAL A 642 11.826 -2.280 4.855 1.00 0.00 C ATOM 1158 C VAL A 642 13.177 -1.571 4.785 1.00 0.00 C ATOM 1159 O VAL A 642 13.246 -0.342 4.809 1.00 0.00 O ATOM 1160 CB VAL A 642 11.262 -2.435 3.429 1.00 0.00 C ATOM 1161 CG1 VAL A 642 11.036 -1.074 2.789 1.00 0.00 C ATOM 1162 CG2 VAL A 642 12.191 -3.285 2.574 1.00 0.00 C ATOM 0 H VAL A 642 10.561 -0.675 5.327 1.00 0.00 H new ATOM 0 HA VAL A 642 11.963 -3.268 5.294 1.00 0.00 H new ATOM 0 HB VAL A 642 10.300 -2.943 3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 642 10.638 -1.207 1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 642 10.326 -0.504 3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 642 11.982 -0.535 2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 642 11.775 -3.382 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 642 13.170 -2.809 2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 642 12.295 -4.274 3.021 1.00 0.00 H new ATOM 1172 N LYS A 643 14.245 -2.356 4.694 1.00 0.00 N ATOM 1173 CA LYS A 643 15.594 -1.808 4.614 1.00 0.00 C ATOM 1174 C LYS A 643 16.278 -2.244 3.322 1.00 0.00 C ATOM 1175 O LYS A 643 16.591 -3.420 3.141 1.00 0.00 O ATOM 1176 CB LYS A 643 16.423 -2.256 5.819 1.00 0.00 C ATOM 1177 CG LYS A 643 17.503 -1.263 6.217 1.00 0.00 C ATOM 1178 CD LYS A 643 18.791 -1.969 6.613 1.00 0.00 C ATOM 1179 CE LYS A 643 19.787 -2.001 5.464 1.00 0.00 C ATOM 1180 NZ LYS A 643 20.737 -3.143 5.583 1.00 0.00 N ATOM 0 H LYS A 643 14.202 -3.375 4.674 1.00 0.00 H new ATOM 0 HA LYS A 643 15.520 -0.721 4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 643 15.758 -2.416 6.668 1.00 0.00 H new ATOM 0 HB3 LYS A 643 16.889 -3.215 5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 643 17.699 -0.585 5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 643 17.150 -0.654 7.049 1.00 0.00 H new ATOM 0 HD2 LYS A 643 19.237 -1.461 7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 643 18.566 -2.988 6.929 1.00 0.00 H new ATOM 0 HE2 LYS A 643 19.249 -2.074 4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 643 20.345 -1.065 5.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 21.399 -3.129 4.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 21.269 -3.060 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 20.207 -4.038 5.579 1.00 0.00 H new ATOM 1194 N THR A 644 16.503 -1.289 2.426 1.00 0.00 N ATOM 1195 CA THR A 644 17.147 -1.574 1.150 1.00 0.00 C ATOM 1196 C THR A 644 18.660 -1.680 1.308 1.00 0.00 C ATOM 1197 O THR A 644 19.116 -2.029 2.418 1.00 0.00 O ATOM 1198 CB THR A 644 16.827 -0.489 0.105 1.00 0.00 C ATOM 1199 OG1 THR A 644 17.239 0.794 0.591 1.00 0.00 O ATOM 1200 CG2 THR A 644 15.338 -0.459 -0.209 1.00 0.00 C ATOM 1201 OXT THR A 644 19.378 -1.417 0.321 1.00 0.00 O ATOM 0 H THR A 644 16.249 -0.310 2.560 1.00 0.00 H new ATOM 0 HA THR A 644 16.753 -2.530 0.804 1.00 0.00 H new ATOM 0 HB THR A 644 17.371 -0.726 -0.809 1.00 0.00 H new ATOM 0 HG1 THR A 644 17.183 1.452 -0.133 1.00 0.00 H new ATOM 0 HG21 THR A 644 15.138 0.315 -0.949 1.00 0.00 H new ATOM 0 HG22 THR A 644 15.030 -1.427 -0.604 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.778 -0.244 0.701 1.00 0.00 H new TER 1209 THR A 644