USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 431 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 48 LYS NZ :NH3+ -161:sc= 1.23 (180deg=-0.00165) USER MOD Set 1.2: A 52 GLN : amide:sc= -0.625 K(o=0.61,f=-9.8!) USER MOD Set 2.1: A 12 THR OG1 : rot -90:sc= 0.416 USER MOD Set 2.2: A 14 THR OG1 : rot 37:sc= 0.455 USER MOD Set 3.1: A 7 CYS SG : rot 151:sc= -0.698! USER MOD Set 3.2: A 10 CYS SG : rot -60:sc= -6.59! USER MOD Set 3.3: A 28 CYS SG : rot -126:sc= -0.472 USER MOD Set 3.4: A 31 CYS SG : rot 149:sc= 0.257 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 170:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -2.59 K(o=-2.6,f=-4.8!) USER MOD Single : A 11 GLN : amide:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -141:sc= 1.62 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -75:sc= -0.448 USER MOD Single : A 23 MET CE :methyl -146:sc= -0.296 (180deg=-0.708) USER MOD Single : A 29 ASN : amide:sc= -2.72 K(o=-2.7,f=-8.9!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 146:sc= -0.188 (180deg=-1.14!) USER MOD Single : A 38 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-0.33) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.175 K(o=-0.17,f=-1.5) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 55 ASN : amide:sc= -0.371 K(o=-0.37,f=-3.9!) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= -0.0821 (180deg=-0.316) USER MOD ----------------------------------------------------------------- ATOM 561 N ALA A 3 -6.096 5.770 14.122 1.00 0.00 N ATOM 562 CA ALA A 3 -6.710 4.686 14.952 1.00 0.00 C ATOM 563 C ALA A 3 -8.173 5.040 15.253 1.00 0.00 C ATOM 564 O ALA A 3 -8.459 5.971 15.984 1.00 0.00 O ATOM 565 CB ALA A 3 -5.931 4.549 16.268 1.00 0.00 C ATOM 0 HA ALA A 3 -6.671 3.742 14.408 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.376 3.760 16.874 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.893 4.298 16.052 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.970 5.492 16.814 1.00 0.00 H new ATOM 571 N GLY A 4 -9.095 4.307 14.683 1.00 0.00 N ATOM 572 CA GLY A 4 -10.544 4.597 14.918 1.00 0.00 C ATOM 573 C GLY A 4 -11.212 5.035 13.608 1.00 0.00 C ATOM 574 O GLY A 4 -12.407 4.895 13.440 1.00 0.00 O ATOM 0 H GLY A 4 -8.908 3.519 14.064 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.042 3.710 15.310 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.649 5.380 15.669 1.00 0.00 H new ATOM 578 N THR A 5 -10.457 5.559 12.671 1.00 0.00 N ATOM 579 CA THR A 5 -11.066 5.989 11.377 1.00 0.00 C ATOM 580 C THR A 5 -11.452 4.751 10.563 1.00 0.00 C ATOM 581 O THR A 5 -10.658 4.210 9.819 1.00 0.00 O ATOM 582 CB THR A 5 -10.080 6.849 10.588 1.00 0.00 C ATOM 583 OG1 THR A 5 -9.875 8.088 11.260 1.00 0.00 O ATOM 584 CG2 THR A 5 -10.642 7.132 9.199 1.00 0.00 C ATOM 0 H THR A 5 -9.451 5.706 12.748 1.00 0.00 H new ATOM 0 HA THR A 5 -11.957 6.583 11.579 1.00 0.00 H new ATOM 0 HB THR A 5 -9.134 6.314 10.504 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.241 8.635 10.751 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.936 7.746 8.639 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.802 6.191 8.673 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.590 7.662 9.291 1.00 0.00 H new ATOM 592 N VAL A 6 -12.667 4.297 10.703 1.00 0.00 N ATOM 593 CA VAL A 6 -13.119 3.100 9.936 1.00 0.00 C ATOM 594 C VAL A 6 -13.791 3.586 8.648 1.00 0.00 C ATOM 595 O VAL A 6 -14.787 4.281 8.683 1.00 0.00 O ATOM 596 CB VAL A 6 -14.109 2.275 10.776 1.00 0.00 C ATOM 597 CG1 VAL A 6 -13.346 1.535 11.875 1.00 0.00 C ATOM 598 CG2 VAL A 6 -15.151 3.195 11.423 1.00 0.00 C ATOM 0 H VAL A 6 -13.370 4.705 11.319 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.268 2.463 9.696 1.00 0.00 H new ATOM 0 HB VAL A 6 -14.615 1.562 10.126 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.045 0.949 12.472 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.610 0.871 11.423 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.838 2.257 12.515 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.846 2.599 12.015 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.649 3.915 12.069 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.700 3.726 10.646 1.00 0.00 H new ATOM 608 N CYS A 7 -13.236 3.245 7.513 1.00 0.00 N ATOM 609 CA CYS A 7 -13.819 3.699 6.212 1.00 0.00 C ATOM 610 C CYS A 7 -15.341 3.505 6.211 1.00 0.00 C ATOM 611 O CYS A 7 -15.836 2.393 6.216 1.00 0.00 O ATOM 612 CB CYS A 7 -13.201 2.881 5.085 1.00 0.00 C ATOM 613 SG CYS A 7 -13.722 3.532 3.484 1.00 0.00 S ATOM 0 H CYS A 7 -12.399 2.668 7.430 1.00 0.00 H new ATOM 0 HA CYS A 7 -13.604 4.758 6.071 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -12.114 2.908 5.160 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.501 1.837 5.177 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.797 3.301 2.600 1.00 0.00 H new ATOM 618 N SER A 8 -16.084 4.583 6.202 1.00 0.00 N ATOM 619 CA SER A 8 -17.580 4.479 6.208 1.00 0.00 C ATOM 620 C SER A 8 -18.097 3.765 4.943 1.00 0.00 C ATOM 621 O SER A 8 -19.267 3.457 4.845 1.00 0.00 O ATOM 622 CB SER A 8 -18.187 5.882 6.279 1.00 0.00 C ATOM 623 OG SER A 8 -17.977 6.422 7.578 1.00 0.00 O ATOM 0 H SER A 8 -15.720 5.536 6.191 1.00 0.00 H new ATOM 0 HA SER A 8 -17.877 3.894 7.078 1.00 0.00 H new ATOM 0 HB2 SER A 8 -17.731 6.526 5.527 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.254 5.840 6.058 1.00 0.00 H new ATOM 0 HG SER A 8 -18.218 7.372 7.580 1.00 0.00 H new ATOM 629 N ASN A 9 -17.250 3.509 3.971 1.00 0.00 N ATOM 630 CA ASN A 9 -17.728 2.825 2.727 1.00 0.00 C ATOM 631 C ASN A 9 -17.282 1.354 2.695 1.00 0.00 C ATOM 632 O ASN A 9 -17.930 0.527 2.081 1.00 0.00 O ATOM 633 CB ASN A 9 -17.189 3.560 1.500 1.00 0.00 C ATOM 634 CG ASN A 9 -18.198 4.631 1.074 1.00 0.00 C ATOM 635 OD1 ASN A 9 -18.640 4.643 -0.054 1.00 0.00 O ATOM 636 ND2 ASN A 9 -18.580 5.539 1.931 1.00 0.00 N ATOM 0 H ASN A 9 -16.257 3.742 3.986 1.00 0.00 H new ATOM 0 HA ASN A 9 -18.818 2.847 2.719 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -16.227 4.019 1.729 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -17.020 2.857 0.684 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -19.249 6.256 1.650 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -18.210 5.531 2.881 1.00 0.00 H new ATOM 643 N CYS A 10 -16.196 1.006 3.346 1.00 0.00 N ATOM 644 CA CYS A 10 -15.767 -0.428 3.327 1.00 0.00 C ATOM 645 C CYS A 10 -15.251 -0.880 4.715 1.00 0.00 C ATOM 646 O CYS A 10 -14.602 -1.901 4.839 1.00 0.00 O ATOM 647 CB CYS A 10 -14.703 -0.636 2.230 1.00 0.00 C ATOM 648 SG CYS A 10 -13.091 -0.018 2.757 1.00 0.00 S ATOM 0 H CYS A 10 -15.600 1.639 3.879 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.631 -1.051 3.095 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.628 -1.696 1.989 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -15.012 -0.124 1.319 1.00 0.00 H new ATOM 0 HG CYS A 10 -13.174 1.256 3.004 1.00 0.00 H new ATOM 653 N GLN A 11 -15.562 -0.137 5.758 1.00 0.00 N ATOM 654 CA GLN A 11 -15.131 -0.508 7.156 1.00 0.00 C ATOM 655 C GLN A 11 -13.629 -0.837 7.228 1.00 0.00 C ATOM 656 O GLN A 11 -13.186 -1.524 8.127 1.00 0.00 O ATOM 657 CB GLN A 11 -15.936 -1.727 7.624 1.00 0.00 C ATOM 658 CG GLN A 11 -17.369 -1.302 7.966 1.00 0.00 C ATOM 659 CD GLN A 11 -18.017 -2.334 8.897 1.00 0.00 C ATOM 660 OE1 GLN A 11 -18.740 -1.977 9.801 1.00 0.00 O ATOM 661 NE2 GLN A 11 -17.793 -3.605 8.712 1.00 0.00 N ATOM 0 H GLN A 11 -16.105 0.725 5.700 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.317 0.350 7.802 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.949 -2.488 6.843 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.461 -2.175 8.497 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.362 -0.323 8.445 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.956 -1.206 7.053 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.185 -3.910 7.952 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.226 -4.294 9.327 1.00 0.00 H new ATOM 670 N THR A 12 -12.844 -0.365 6.299 1.00 0.00 N ATOM 671 CA THR A 12 -11.384 -0.670 6.331 1.00 0.00 C ATOM 672 C THR A 12 -10.652 0.413 7.139 1.00 0.00 C ATOM 673 O THR A 12 -10.776 1.595 6.871 1.00 0.00 O ATOM 674 CB THR A 12 -10.858 -0.745 4.879 1.00 0.00 C ATOM 675 OG1 THR A 12 -9.660 -1.518 4.807 1.00 0.00 O ATOM 676 CG2 THR A 12 -10.565 0.655 4.338 1.00 0.00 C ATOM 0 H THR A 12 -13.149 0.218 5.520 1.00 0.00 H new ATOM 0 HA THR A 12 -11.203 -1.629 6.816 1.00 0.00 H new ATOM 0 HB THR A 12 -11.634 -1.220 4.278 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.884 -0.932 4.931 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.196 0.580 3.315 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.479 1.249 4.351 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.811 1.136 4.961 1.00 0.00 H new ATOM 684 N SER A 13 -9.900 0.014 8.138 1.00 0.00 N ATOM 685 CA SER A 13 -9.158 1.007 8.980 1.00 0.00 C ATOM 686 C SER A 13 -7.779 1.272 8.359 1.00 0.00 C ATOM 687 O SER A 13 -7.160 2.291 8.602 1.00 0.00 O ATOM 688 CB SER A 13 -8.977 0.438 10.390 1.00 0.00 C ATOM 689 OG SER A 13 -8.252 -0.788 10.312 1.00 0.00 O ATOM 0 H SER A 13 -9.768 -0.961 8.407 1.00 0.00 H new ATOM 0 HA SER A 13 -9.722 1.939 9.029 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.442 1.151 11.017 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.949 0.271 10.855 1.00 0.00 H new ATOM 0 HG SER A 13 -8.132 -1.155 11.213 1.00 0.00 H new ATOM 695 N THR A 14 -7.300 0.360 7.550 1.00 0.00 N ATOM 696 CA THR A 14 -5.971 0.539 6.895 1.00 0.00 C ATOM 697 C THR A 14 -6.166 1.266 5.563 1.00 0.00 C ATOM 698 O THR A 14 -6.827 0.770 4.669 1.00 0.00 O ATOM 699 CB THR A 14 -5.343 -0.840 6.650 1.00 0.00 C ATOM 700 OG1 THR A 14 -6.266 -1.664 5.936 1.00 0.00 O ATOM 701 CG2 THR A 14 -5.009 -1.491 7.993 1.00 0.00 C ATOM 0 H THR A 14 -7.779 -0.509 7.314 1.00 0.00 H new ATOM 0 HA THR A 14 -5.312 1.127 7.535 1.00 0.00 H new ATOM 0 HB THR A 14 -4.431 -0.727 6.064 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.754 -1.119 5.283 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.563 -2.471 7.822 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.305 -0.862 8.537 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.921 -1.605 8.579 1.00 0.00 H new ATOM 709 N THR A 15 -5.611 2.442 5.416 1.00 0.00 N ATOM 710 CA THR A 15 -5.790 3.184 4.129 1.00 0.00 C ATOM 711 C THR A 15 -4.527 3.971 3.786 1.00 0.00 C ATOM 712 O THR A 15 -3.822 4.456 4.651 1.00 0.00 O ATOM 713 CB THR A 15 -6.970 4.160 4.231 1.00 0.00 C ATOM 714 OG1 THR A 15 -6.559 5.333 4.917 1.00 0.00 O ATOM 715 CG2 THR A 15 -8.122 3.513 4.993 1.00 0.00 C ATOM 0 H THR A 15 -5.048 2.917 6.121 1.00 0.00 H new ATOM 0 HA THR A 15 -5.988 2.453 3.346 1.00 0.00 H new ATOM 0 HB THR A 15 -7.303 4.417 3.225 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.278 5.633 5.512 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.954 4.214 5.059 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.446 2.614 4.468 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.791 3.247 5.997 1.00 0.00 H new ATOM 723 N THR A 16 -4.248 4.112 2.520 1.00 0.00 N ATOM 724 CA THR A 16 -3.044 4.879 2.094 1.00 0.00 C ATOM 725 C THR A 16 -3.359 6.382 2.153 1.00 0.00 C ATOM 726 O THR A 16 -2.494 7.197 2.404 1.00 0.00 O ATOM 727 CB THR A 16 -2.675 4.477 0.665 1.00 0.00 C ATOM 728 OG1 THR A 16 -3.765 4.775 -0.202 1.00 0.00 O ATOM 729 CG2 THR A 16 -2.365 2.986 0.614 1.00 0.00 C ATOM 0 H THR A 16 -4.806 3.727 1.758 1.00 0.00 H new ATOM 0 HA THR A 16 -2.206 4.661 2.756 1.00 0.00 H new ATOM 0 HB THR A 16 -1.794 5.033 0.345 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.532 4.521 -1.119 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.103 2.704 -0.406 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.529 2.765 1.278 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.241 2.421 0.933 1.00 0.00 H new ATOM 737 N LEU A 17 -4.598 6.752 1.936 1.00 0.00 N ATOM 738 CA LEU A 17 -4.982 8.196 1.990 1.00 0.00 C ATOM 739 C LEU A 17 -6.392 8.324 2.578 1.00 0.00 C ATOM 740 O LEU A 17 -7.368 7.914 1.975 1.00 0.00 O ATOM 741 CB LEU A 17 -4.953 8.788 0.575 1.00 0.00 C ATOM 742 CG LEU A 17 -3.549 9.290 0.254 1.00 0.00 C ATOM 743 CD1 LEU A 17 -3.541 9.890 -1.147 1.00 0.00 C ATOM 744 CD2 LEU A 17 -3.141 10.364 1.264 1.00 0.00 C ATOM 0 H LEU A 17 -5.363 6.112 1.723 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.277 8.739 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.254 8.033 -0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.668 9.607 0.499 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.846 8.459 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.540 10.251 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.832 9.128 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.246 10.720 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.137 10.720 1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.842 11.197 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.152 9.942 2.269 1.00 0.00 H new ATOM 756 N TRP A 18 -6.510 8.881 3.756 1.00 0.00 N ATOM 757 CA TRP A 18 -7.858 9.030 4.382 1.00 0.00 C ATOM 758 C TRP A 18 -8.627 10.161 3.692 1.00 0.00 C ATOM 759 O TRP A 18 -8.547 11.314 4.077 1.00 0.00 O ATOM 760 CB TRP A 18 -7.700 9.336 5.874 1.00 0.00 C ATOM 761 CG TRP A 18 -7.694 8.052 6.639 1.00 0.00 C ATOM 762 CD1 TRP A 18 -6.744 7.672 7.524 1.00 0.00 C ATOM 763 CD2 TRP A 18 -8.673 6.973 6.600 1.00 0.00 C ATOM 764 NE1 TRP A 18 -7.077 6.427 8.028 1.00 0.00 N ATOM 765 CE2 TRP A 18 -8.256 5.956 7.489 1.00 0.00 C ATOM 766 CE3 TRP A 18 -9.870 6.782 5.885 1.00 0.00 C ATOM 767 CZ2 TRP A 18 -8.997 4.791 7.662 1.00 0.00 C ATOM 768 CZ3 TRP A 18 -10.620 5.608 6.057 1.00 0.00 C ATOM 769 CH2 TRP A 18 -10.184 4.615 6.944 1.00 0.00 C ATOM 0 H TRP A 18 -5.732 9.239 4.311 1.00 0.00 H new ATOM 0 HA TRP A 18 -8.416 8.101 4.266 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -6.773 9.883 6.050 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -8.516 9.973 6.216 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -5.870 8.246 7.793 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.519 5.920 8.714 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -10.214 7.543 5.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -8.658 4.028 8.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -11.537 5.470 5.503 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -10.765 3.714 7.073 1.00 0.00 H new ATOM 780 N ARG A 19 -9.378 9.834 2.673 1.00 0.00 N ATOM 781 CA ARG A 19 -10.160 10.877 1.948 1.00 0.00 C ATOM 782 C ARG A 19 -11.400 11.246 2.770 1.00 0.00 C ATOM 783 O ARG A 19 -12.484 10.740 2.547 1.00 0.00 O ATOM 784 CB ARG A 19 -10.587 10.335 0.577 1.00 0.00 C ATOM 785 CG ARG A 19 -10.104 11.284 -0.523 1.00 0.00 C ATOM 786 CD ARG A 19 -11.218 11.478 -1.555 1.00 0.00 C ATOM 787 NE ARG A 19 -10.806 10.856 -2.852 1.00 0.00 N ATOM 788 CZ ARG A 19 -11.677 10.643 -3.804 1.00 0.00 C ATOM 789 NH1 ARG A 19 -12.927 10.961 -3.645 1.00 0.00 N ATOM 790 NH2 ARG A 19 -11.292 10.105 -4.922 1.00 0.00 N ATOM 0 H ARG A 19 -9.483 8.886 2.311 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.544 11.765 1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -10.170 9.340 0.422 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -11.672 10.236 0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.822 12.244 -0.092 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.215 10.877 -1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.143 11.024 -1.198 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.418 12.540 -1.695 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.831 10.594 -2.996 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.239 11.382 -2.770 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.596 10.790 -4.395 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.313 9.850 -5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.968 9.937 -5.667 1.00 0.00 H new ATOM 804 N ARG A 20 -11.247 12.123 3.728 1.00 0.00 N ATOM 805 CA ARG A 20 -12.413 12.525 4.568 1.00 0.00 C ATOM 806 C ARG A 20 -13.427 13.282 3.701 1.00 0.00 C ATOM 807 O ARG A 20 -13.183 14.392 3.270 1.00 0.00 O ATOM 808 CB ARG A 20 -11.935 13.426 5.714 1.00 0.00 C ATOM 809 CG ARG A 20 -11.934 12.633 7.025 1.00 0.00 C ATOM 810 CD ARG A 20 -13.231 12.905 7.790 1.00 0.00 C ATOM 811 NE ARG A 20 -13.076 12.426 9.200 1.00 0.00 N ATOM 812 CZ ARG A 20 -13.930 12.773 10.130 1.00 0.00 C ATOM 813 NH1 ARG A 20 -14.949 13.530 9.850 1.00 0.00 N ATOM 814 NH2 ARG A 20 -13.757 12.359 11.350 1.00 0.00 N ATOM 0 H ARG A 20 -10.365 12.578 3.964 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.886 11.636 4.985 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.933 13.800 5.503 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.587 14.295 5.803 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.839 11.567 6.817 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.075 12.917 7.633 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.459 13.971 7.778 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.066 12.395 7.309 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.292 11.819 9.440 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.091 13.861 8.896 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.606 13.793 10.584 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.959 11.767 11.579 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.419 12.627 12.078 1.00 0.00 H new ATOM 828 N SER A 21 -14.562 12.685 3.435 1.00 0.00 N ATOM 829 CA SER A 21 -15.591 13.370 2.591 1.00 0.00 C ATOM 830 C SER A 21 -16.213 14.530 3.383 1.00 0.00 C ATOM 831 O SER A 21 -16.309 14.464 4.596 1.00 0.00 O ATOM 832 CB SER A 21 -16.681 12.371 2.199 1.00 0.00 C ATOM 833 OG SER A 21 -17.434 12.021 3.353 1.00 0.00 O ATOM 0 H SER A 21 -14.821 11.755 3.765 1.00 0.00 H new ATOM 0 HA SER A 21 -15.120 13.760 1.689 1.00 0.00 H new ATOM 0 HB2 SER A 21 -17.334 12.806 1.443 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.233 11.480 1.759 1.00 0.00 H new ATOM 0 HG SER A 21 -16.909 11.414 3.915 1.00 0.00 H new ATOM 839 N PRO A 22 -16.618 15.563 2.670 1.00 0.00 N ATOM 840 CA PRO A 22 -17.230 16.764 3.287 1.00 0.00 C ATOM 841 C PRO A 22 -18.456 16.390 4.137 1.00 0.00 C ATOM 842 O PRO A 22 -18.840 17.116 5.031 1.00 0.00 O ATOM 843 CB PRO A 22 -17.634 17.653 2.099 1.00 0.00 C ATOM 844 CG PRO A 22 -17.179 16.941 0.800 1.00 0.00 C ATOM 845 CD PRO A 22 -16.510 15.614 1.198 1.00 0.00 C ATOM 0 HA PRO A 22 -16.541 17.270 3.964 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -18.712 17.812 2.090 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -17.168 18.635 2.180 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -18.032 16.757 0.147 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -16.482 17.569 0.245 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -17.011 14.764 0.735 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -15.469 15.584 0.877 1.00 0.00 H new ATOM 853 N MET A 23 -19.061 15.258 3.875 1.00 0.00 N ATOM 854 CA MET A 23 -20.248 14.834 4.681 1.00 0.00 C ATOM 855 C MET A 23 -19.797 14.331 6.068 1.00 0.00 C ATOM 856 O MET A 23 -20.613 13.994 6.906 1.00 0.00 O ATOM 857 CB MET A 23 -20.985 13.712 3.938 1.00 0.00 C ATOM 858 CG MET A 23 -22.217 14.288 3.231 1.00 0.00 C ATOM 859 SD MET A 23 -21.702 15.588 2.079 1.00 0.00 S ATOM 860 CE MET A 23 -22.519 16.970 2.913 1.00 0.00 C ATOM 0 H MET A 23 -18.785 14.609 3.138 1.00 0.00 H new ATOM 0 HA MET A 23 -20.914 15.686 4.817 1.00 0.00 H new ATOM 0 HB2 MET A 23 -20.320 13.246 3.211 1.00 0.00 H new ATOM 0 HB3 MET A 23 -21.286 12.934 4.639 1.00 0.00 H new ATOM 0 HG2 MET A 23 -22.743 13.499 2.694 1.00 0.00 H new ATOM 0 HG3 MET A 23 -22.914 14.693 3.965 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.863 17.691 2.171 1.00 0.00 H new ATOM 0 HE2 MET A 23 -23.372 16.599 3.481 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.815 17.454 3.590 1.00 0.00 H new ATOM 870 N GLY A 24 -18.506 14.275 6.319 1.00 0.00 N ATOM 871 CA GLY A 24 -18.013 13.789 7.644 1.00 0.00 C ATOM 872 C GLY A 24 -17.831 12.271 7.593 1.00 0.00 C ATOM 873 O GLY A 24 -18.051 11.582 8.570 1.00 0.00 O ATOM 0 H GLY A 24 -17.776 14.546 5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.068 14.272 7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -18.722 14.055 8.428 1.00 0.00 H new ATOM 877 N ASP A 25 -17.435 11.746 6.463 1.00 0.00 N ATOM 878 CA ASP A 25 -17.255 10.267 6.355 1.00 0.00 C ATOM 879 C ASP A 25 -15.856 9.935 5.811 1.00 0.00 C ATOM 880 O ASP A 25 -15.618 10.022 4.619 1.00 0.00 O ATOM 881 CB ASP A 25 -18.328 9.695 5.421 1.00 0.00 C ATOM 882 CG ASP A 25 -19.698 9.818 6.086 1.00 0.00 C ATOM 883 OD1 ASP A 25 -20.006 8.984 6.923 1.00 0.00 O ATOM 884 OD2 ASP A 25 -20.412 10.745 5.749 1.00 0.00 O ATOM 0 H ASP A 25 -17.229 12.273 5.614 1.00 0.00 H new ATOM 0 HA ASP A 25 -17.355 9.821 7.345 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -18.323 10.231 4.472 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -18.112 8.650 5.198 1.00 0.00 H new ATOM 889 N PRO A 26 -14.974 9.555 6.709 1.00 0.00 N ATOM 890 CA PRO A 26 -13.592 9.174 6.355 1.00 0.00 C ATOM 891 C PRO A 26 -13.599 7.899 5.497 1.00 0.00 C ATOM 892 O PRO A 26 -13.813 6.806 5.994 1.00 0.00 O ATOM 893 CB PRO A 26 -12.902 8.910 7.705 1.00 0.00 C ATOM 894 CG PRO A 26 -13.951 9.134 8.825 1.00 0.00 C ATOM 895 CD PRO A 26 -15.283 9.493 8.152 1.00 0.00 C ATOM 0 HA PRO A 26 -13.082 9.944 5.776 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.514 7.892 7.743 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.053 9.580 7.837 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.059 8.236 9.433 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.632 9.934 9.493 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.046 8.743 8.361 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.665 10.447 8.516 1.00 0.00 H new ATOM 903 N VAL A 27 -13.367 8.026 4.213 1.00 0.00 N ATOM 904 CA VAL A 27 -13.361 6.816 3.332 1.00 0.00 C ATOM 905 C VAL A 27 -11.961 6.580 2.758 1.00 0.00 C ATOM 906 O VAL A 27 -11.364 7.446 2.142 1.00 0.00 O ATOM 907 CB VAL A 27 -14.374 6.967 2.190 1.00 0.00 C ATOM 908 CG1 VAL A 27 -15.774 6.640 2.715 1.00 0.00 C ATOM 909 CG2 VAL A 27 -14.354 8.400 1.645 1.00 0.00 C ATOM 0 H VAL A 27 -13.182 8.910 3.739 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.646 5.956 3.938 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.109 6.282 1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -16.499 6.745 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -15.793 5.616 3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -16.029 7.325 3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -15.078 8.491 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -14.612 9.096 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.358 8.632 1.269 1.00 0.00 H new ATOM 919 N CYS A 28 -11.438 5.401 2.968 1.00 0.00 N ATOM 920 CA CYS A 28 -10.089 5.044 2.460 1.00 0.00 C ATOM 921 C CYS A 28 -9.970 5.415 0.970 1.00 0.00 C ATOM 922 O CYS A 28 -10.838 5.116 0.169 1.00 0.00 O ATOM 923 CB CYS A 28 -9.873 3.533 2.675 1.00 0.00 C ATOM 924 SG CYS A 28 -10.676 2.566 1.368 1.00 0.00 S ATOM 0 H CYS A 28 -11.905 4.655 3.484 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.321 5.598 3.000 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.805 3.314 2.690 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -10.272 3.240 3.646 1.00 0.00 H new ATOM 0 HG CYS A 28 -11.470 1.687 1.904 1.00 0.00 H new ATOM 929 N ASN A 29 -8.905 6.092 0.610 1.00 0.00 N ATOM 930 CA ASN A 29 -8.689 6.531 -0.811 1.00 0.00 C ATOM 931 C ASN A 29 -9.180 5.470 -1.811 1.00 0.00 C ATOM 932 O ASN A 29 -9.896 5.782 -2.743 1.00 0.00 O ATOM 933 CB ASN A 29 -7.194 6.786 -1.026 1.00 0.00 C ATOM 934 CG ASN A 29 -6.960 7.344 -2.430 1.00 0.00 C ATOM 935 OD1 ASN A 29 -7.238 6.689 -3.408 1.00 0.00 O ATOM 936 ND2 ASN A 29 -6.462 8.538 -2.573 1.00 0.00 N ATOM 0 H ASN A 29 -8.161 6.365 1.252 1.00 0.00 H new ATOM 0 HA ASN A 29 -9.262 7.442 -0.984 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -6.825 7.489 -0.279 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -6.635 5.859 -0.895 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.308 8.918 -3.507 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.226 9.094 -1.751 1.00 0.00 H new ATOM 943 N ALA A 30 -8.801 4.229 -1.626 1.00 0.00 N ATOM 944 CA ALA A 30 -9.243 3.143 -2.563 1.00 0.00 C ATOM 945 C ALA A 30 -10.747 3.276 -2.863 1.00 0.00 C ATOM 946 O ALA A 30 -11.173 3.176 -4.001 1.00 0.00 O ATOM 947 CB ALA A 30 -8.977 1.787 -1.913 1.00 0.00 C ATOM 0 H ALA A 30 -8.201 3.918 -0.862 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.688 3.228 -3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.295 0.992 -2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.911 1.684 -1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.534 1.716 -0.979 1.00 0.00 H new ATOM 953 N CYS A 31 -11.545 3.523 -1.852 1.00 0.00 N ATOM 954 CA CYS A 31 -13.015 3.691 -2.065 1.00 0.00 C ATOM 955 C CYS A 31 -13.248 4.930 -2.935 1.00 0.00 C ATOM 956 O CYS A 31 -14.031 4.911 -3.865 1.00 0.00 O ATOM 957 CB CYS A 31 -13.706 3.891 -0.711 1.00 0.00 C ATOM 958 SG CYS A 31 -14.134 2.288 0.006 1.00 0.00 S ATOM 0 H CYS A 31 -11.238 3.616 -0.884 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.422 2.806 -2.555 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.048 4.437 -0.035 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -14.605 4.494 -0.838 1.00 0.00 H new ATOM 0 HG CYS A 31 -14.084 2.365 1.303 1.00 0.00 H new ATOM 963 N GLY A 32 -12.568 6.005 -2.634 1.00 0.00 N ATOM 964 CA GLY A 32 -12.732 7.256 -3.435 1.00 0.00 C ATOM 965 C GLY A 32 -12.301 7.019 -4.889 1.00 0.00 C ATOM 966 O GLY A 32 -12.847 7.605 -5.809 1.00 0.00 O ATOM 0 H GLY A 32 -11.902 6.071 -1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.772 7.581 -3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.135 8.057 -2.998 1.00 0.00 H new ATOM 970 N LEU A 33 -11.321 6.175 -5.101 1.00 0.00 N ATOM 971 CA LEU A 33 -10.851 5.906 -6.493 1.00 0.00 C ATOM 972 C LEU A 33 -11.850 4.982 -7.205 1.00 0.00 C ATOM 973 O LEU A 33 -12.428 5.354 -8.211 1.00 0.00 O ATOM 974 CB LEU A 33 -9.466 5.249 -6.457 1.00 0.00 C ATOM 975 CG LEU A 33 -8.414 6.288 -6.059 1.00 0.00 C ATOM 976 CD1 LEU A 33 -7.029 5.643 -6.071 1.00 0.00 C ATOM 977 CD2 LEU A 33 -8.428 7.453 -7.051 1.00 0.00 C ATOM 0 H LEU A 33 -10.828 5.662 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.782 6.848 -7.038 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.463 4.423 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.226 4.830 -7.434 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.643 6.658 -5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.281 6.383 -5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.007 4.815 -5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.810 5.270 -7.072 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.677 8.187 -6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.205 7.082 -8.051 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.413 7.921 -7.049 1.00 0.00 H new ATOM 989 N TYR A 34 -12.067 3.788 -6.693 1.00 0.00 N ATOM 990 CA TYR A 34 -13.043 2.854 -7.351 1.00 0.00 C ATOM 991 C TYR A 34 -14.348 3.610 -7.648 1.00 0.00 C ATOM 992 O TYR A 34 -14.963 3.428 -8.688 1.00 0.00 O ATOM 993 CB TYR A 34 -13.327 1.667 -6.420 1.00 0.00 C ATOM 994 CG TYR A 34 -14.413 0.793 -7.013 1.00 0.00 C ATOM 995 CD1 TYR A 34 -15.759 1.065 -6.737 1.00 0.00 C ATOM 996 CD2 TYR A 34 -14.073 -0.289 -7.837 1.00 0.00 C ATOM 997 CE1 TYR A 34 -16.762 0.256 -7.283 1.00 0.00 C ATOM 998 CE2 TYR A 34 -15.080 -1.097 -8.383 1.00 0.00 C ATOM 999 CZ TYR A 34 -16.423 -0.822 -8.104 1.00 0.00 C ATOM 1000 OH TYR A 34 -17.416 -1.619 -8.635 1.00 0.00 O ATOM 0 H TYR A 34 -11.614 3.423 -5.855 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.621 2.481 -8.284 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.418 1.083 -6.274 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -13.635 2.029 -5.439 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -16.023 1.899 -6.103 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -13.036 -0.500 -8.051 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -17.800 0.466 -7.069 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -14.819 -1.931 -9.018 1.00 0.00 H new ATOM 0 HH TYR A 34 -17.012 -2.323 -9.184 1.00 0.00 H new ATOM 1010 N TYR A 35 -14.765 4.470 -6.747 1.00 0.00 N ATOM 1011 CA TYR A 35 -16.015 5.255 -6.975 1.00 0.00 C ATOM 1012 C TYR A 35 -15.923 5.991 -8.319 1.00 0.00 C ATOM 1013 O TYR A 35 -16.786 5.869 -9.152 1.00 0.00 O ATOM 1014 CB TYR A 35 -16.192 6.285 -5.853 1.00 0.00 C ATOM 1015 CG TYR A 35 -17.488 7.037 -6.062 1.00 0.00 C ATOM 1016 CD1 TYR A 35 -17.513 8.185 -6.867 1.00 0.00 C ATOM 1017 CD2 TYR A 35 -18.664 6.592 -5.448 1.00 0.00 C ATOM 1018 CE1 TYR A 35 -18.711 8.885 -7.052 1.00 0.00 C ATOM 1019 CE2 TYR A 35 -19.862 7.287 -5.635 1.00 0.00 C ATOM 1020 CZ TYR A 35 -19.886 8.437 -6.436 1.00 0.00 C ATOM 1021 OH TYR A 35 -21.067 9.126 -6.618 1.00 0.00 O ATOM 0 H TYR A 35 -14.291 4.660 -5.864 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.866 4.574 -6.985 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -16.200 5.786 -4.884 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -15.352 6.980 -5.846 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.607 8.529 -7.344 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -18.646 5.708 -4.827 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.729 9.771 -7.670 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -20.769 6.938 -5.163 1.00 0.00 H new ATOM 0 HH TYR A 35 -21.785 8.680 -6.122 1.00 0.00 H new ATOM 1031 N LYS A 36 -14.882 6.758 -8.530 1.00 0.00 N ATOM 1032 CA LYS A 36 -14.744 7.506 -9.825 1.00 0.00 C ATOM 1033 C LYS A 36 -14.629 6.522 -11.006 1.00 0.00 C ATOM 1034 O LYS A 36 -15.160 6.772 -12.073 1.00 0.00 O ATOM 1035 CB LYS A 36 -13.495 8.408 -9.762 1.00 0.00 C ATOM 1036 CG LYS A 36 -12.737 8.376 -11.100 1.00 0.00 C ATOM 1037 CD LYS A 36 -11.809 9.592 -11.200 1.00 0.00 C ATOM 1038 CE LYS A 36 -10.352 9.137 -11.375 1.00 0.00 C ATOM 1039 NZ LYS A 36 -10.246 8.185 -12.524 1.00 0.00 N ATOM 0 H LYS A 36 -14.122 6.900 -7.865 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.630 8.122 -9.978 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -13.790 9.431 -9.529 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.839 8.075 -8.958 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.157 7.457 -11.178 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -13.444 8.378 -11.929 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.106 10.216 -12.043 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.901 10.203 -10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.711 10.001 -11.548 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.000 8.658 -10.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.331 8.317 -13.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.316 7.208 -12.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.017 8.367 -13.198 1.00 0.00 H new ATOM 1053 N LEU A 37 -13.934 5.419 -10.827 1.00 0.00 N ATOM 1054 CA LEU A 37 -13.772 4.422 -11.942 1.00 0.00 C ATOM 1055 C LEU A 37 -15.106 4.220 -12.676 1.00 0.00 C ATOM 1056 O LEU A 37 -15.203 4.432 -13.871 1.00 0.00 O ATOM 1057 CB LEU A 37 -13.294 3.081 -11.363 1.00 0.00 C ATOM 1058 CG LEU A 37 -11.760 3.012 -11.355 1.00 0.00 C ATOM 1059 CD1 LEU A 37 -11.163 4.349 -10.908 1.00 0.00 C ATOM 1060 CD2 LEU A 37 -11.312 1.919 -10.384 1.00 0.00 C ATOM 0 H LEU A 37 -13.470 5.165 -9.955 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.035 4.800 -12.651 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.674 2.961 -10.349 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.697 2.259 -11.954 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.414 2.789 -12.364 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.075 4.280 -10.909 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.477 5.135 -11.594 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.511 4.585 -9.902 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.223 1.865 -10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.673 2.152 -9.382 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.720 0.960 -10.703 1.00 0.00 H new ATOM 1072 N HIS A 38 -16.135 3.825 -11.970 1.00 0.00 N ATOM 1073 CA HIS A 38 -17.465 3.625 -12.630 1.00 0.00 C ATOM 1074 C HIS A 38 -18.503 4.589 -12.013 1.00 0.00 C ATOM 1075 O HIS A 38 -19.695 4.431 -12.206 1.00 0.00 O ATOM 1076 CB HIS A 38 -17.919 2.170 -12.429 1.00 0.00 C ATOM 1077 CG HIS A 38 -16.789 1.225 -12.749 1.00 0.00 C ATOM 1078 ND1 HIS A 38 -16.637 0.649 -14.000 1.00 0.00 N ATOM 1079 CD2 HIS A 38 -15.749 0.750 -11.988 1.00 0.00 C ATOM 1080 CE1 HIS A 38 -15.541 -0.134 -13.956 1.00 0.00 C ATOM 1081 NE2 HIS A 38 -14.963 -0.107 -12.753 1.00 0.00 N ATOM 0 H HIS A 38 -16.114 3.632 -10.969 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.378 3.833 -13.696 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -18.247 2.022 -11.400 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -18.775 1.956 -13.070 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -15.569 1.003 -10.954 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -15.175 -0.712 -14.792 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -14.125 -0.607 -12.458 1.00 0.00 H new ATOM 1089 N GLN A 39 -18.051 5.578 -11.263 1.00 0.00 N ATOM 1090 CA GLN A 39 -18.978 6.557 -10.602 1.00 0.00 C ATOM 1091 C GLN A 39 -20.143 5.803 -9.935 1.00 0.00 C ATOM 1092 O GLN A 39 -21.300 6.149 -10.083 1.00 0.00 O ATOM 1093 CB GLN A 39 -19.493 7.559 -11.643 1.00 0.00 C ATOM 1094 CG GLN A 39 -20.346 8.630 -10.950 1.00 0.00 C ATOM 1095 CD GLN A 39 -20.486 9.855 -11.854 1.00 0.00 C ATOM 1096 OE1 GLN A 39 -20.023 10.924 -11.518 1.00 0.00 O ATOM 1097 NE2 GLN A 39 -21.111 9.749 -12.992 1.00 0.00 N ATOM 0 H GLN A 39 -17.062 5.747 -11.081 1.00 0.00 H new ATOM 0 HA GLN A 39 -18.442 7.108 -9.829 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -18.654 8.026 -12.159 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -20.084 7.042 -12.399 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -21.331 8.226 -10.716 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.886 8.917 -10.004 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.502 8.851 -13.278 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.210 10.564 -13.597 1.00 0.00 H new ATOM 1106 N VAL A 40 -19.826 4.764 -9.199 1.00 0.00 N ATOM 1107 CA VAL A 40 -20.873 3.964 -8.516 1.00 0.00 C ATOM 1108 C VAL A 40 -20.493 3.764 -7.044 1.00 0.00 C ATOM 1109 O VAL A 40 -19.560 4.358 -6.549 1.00 0.00 O ATOM 1110 CB VAL A 40 -20.988 2.599 -9.204 1.00 0.00 C ATOM 1111 CG1 VAL A 40 -21.780 2.736 -10.505 1.00 0.00 C ATOM 1112 CG2 VAL A 40 -19.593 2.047 -9.514 1.00 0.00 C ATOM 0 H VAL A 40 -18.872 4.438 -9.045 1.00 0.00 H new ATOM 0 HA VAL A 40 -21.827 4.488 -8.571 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.506 1.912 -8.535 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.857 1.762 -10.988 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.779 3.112 -10.285 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.269 3.432 -11.171 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.686 1.077 -10.003 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -19.067 2.737 -10.174 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -19.032 1.934 -8.586 1.00 0.00 H new ATOM 1122 N ASN A 41 -21.214 2.927 -6.343 1.00 0.00 N ATOM 1123 CA ASN A 41 -20.903 2.682 -4.902 1.00 0.00 C ATOM 1124 C ASN A 41 -19.488 2.088 -4.757 1.00 0.00 C ATOM 1125 O ASN A 41 -18.740 1.995 -5.714 1.00 0.00 O ATOM 1126 CB ASN A 41 -21.944 1.715 -4.316 1.00 0.00 C ATOM 1127 CG ASN A 41 -21.781 0.327 -4.943 1.00 0.00 C ATOM 1128 OD1 ASN A 41 -21.012 -0.478 -4.464 1.00 0.00 O ATOM 1129 ND2 ASN A 41 -22.479 0.010 -5.998 1.00 0.00 N ATOM 0 H ASN A 41 -22.008 2.401 -6.708 1.00 0.00 H new ATOM 0 HA ASN A 41 -20.939 3.626 -4.359 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -21.825 1.651 -3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -22.949 2.092 -4.504 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -22.377 -0.914 -6.418 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -23.127 0.686 -6.403 1.00 0.00 H new ATOM 1136 N ARG A 42 -19.113 1.697 -3.565 1.00 0.00 N ATOM 1137 CA ARG A 42 -17.746 1.129 -3.357 1.00 0.00 C ATOM 1138 C ARG A 42 -17.841 -0.205 -2.589 1.00 0.00 C ATOM 1139 O ARG A 42 -17.868 -0.219 -1.371 1.00 0.00 O ATOM 1140 CB ARG A 42 -16.910 2.138 -2.558 1.00 0.00 C ATOM 1141 CG ARG A 42 -17.114 3.549 -3.133 1.00 0.00 C ATOM 1142 CD ARG A 42 -16.568 4.587 -2.154 1.00 0.00 C ATOM 1143 NE ARG A 42 -17.334 5.866 -2.298 1.00 0.00 N ATOM 1144 CZ ARG A 42 -17.234 6.816 -1.404 1.00 0.00 C ATOM 1145 NH1 ARG A 42 -16.417 6.699 -0.400 1.00 0.00 N ATOM 1146 NH2 ARG A 42 -17.944 7.899 -1.526 1.00 0.00 N ATOM 0 H ARG A 42 -19.694 1.746 -2.728 1.00 0.00 H new ATOM 0 HA ARG A 42 -17.273 0.940 -4.321 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -17.202 2.117 -1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.855 1.866 -2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.606 3.638 -4.093 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -18.174 3.728 -3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -16.649 4.216 -1.132 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.509 4.762 -2.347 1.00 0.00 H new ATOM 0 HE ARG A 42 -17.943 5.998 -3.105 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.845 5.860 -0.303 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.348 7.446 0.291 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -18.578 8.007 -2.318 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.867 8.640 -0.830 1.00 0.00 H new ATOM 1160 N PRO A 43 -17.890 -1.293 -3.331 1.00 0.00 N ATOM 1161 CA PRO A 43 -17.982 -2.648 -2.750 1.00 0.00 C ATOM 1162 C PRO A 43 -16.788 -2.929 -1.825 1.00 0.00 C ATOM 1163 O PRO A 43 -15.640 -2.788 -2.209 1.00 0.00 O ATOM 1164 CB PRO A 43 -17.972 -3.598 -3.960 1.00 0.00 C ATOM 1165 CG PRO A 43 -17.910 -2.730 -5.241 1.00 0.00 C ATOM 1166 CD PRO A 43 -17.858 -1.257 -4.808 1.00 0.00 C ATOM 0 HA PRO A 43 -18.876 -2.772 -2.139 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.115 -4.270 -3.912 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -18.866 -4.222 -3.964 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.031 -2.985 -5.833 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -18.782 -2.913 -5.869 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -16.953 -0.770 -5.172 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -18.704 -0.698 -5.208 1.00 0.00 H new ATOM 1174 N LEU A 44 -17.057 -3.329 -0.607 1.00 0.00 N ATOM 1175 CA LEU A 44 -15.951 -3.623 0.358 1.00 0.00 C ATOM 1176 C LEU A 44 -15.644 -5.130 0.386 1.00 0.00 C ATOM 1177 O LEU A 44 -14.994 -5.620 1.288 1.00 0.00 O ATOM 1178 CB LEU A 44 -16.365 -3.139 1.754 1.00 0.00 C ATOM 1179 CG LEU A 44 -17.566 -3.936 2.268 1.00 0.00 C ATOM 1180 CD1 LEU A 44 -17.421 -4.141 3.777 1.00 0.00 C ATOM 1181 CD2 LEU A 44 -18.854 -3.158 1.988 1.00 0.00 C ATOM 0 H LEU A 44 -17.998 -3.465 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.048 -3.101 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -15.528 -3.246 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -16.614 -2.079 1.718 1.00 0.00 H new ATOM 0 HG LEU A 44 -17.607 -4.901 1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.273 -4.708 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -16.502 -4.689 3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -17.384 -3.172 4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.709 -3.726 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -18.814 -2.194 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -18.957 -2.999 0.915 1.00 0.00 H new ATOM 1193 N THR A 45 -16.078 -5.862 -0.605 1.00 0.00 N ATOM 1194 CA THR A 45 -15.794 -7.331 -0.641 1.00 0.00 C ATOM 1195 C THR A 45 -14.317 -7.579 -1.010 1.00 0.00 C ATOM 1196 O THR A 45 -13.856 -8.703 -1.010 1.00 0.00 O ATOM 1197 CB THR A 45 -16.700 -7.985 -1.683 1.00 0.00 C ATOM 1198 OG1 THR A 45 -16.686 -7.200 -2.868 1.00 0.00 O ATOM 1199 CG2 THR A 45 -18.130 -8.064 -1.139 1.00 0.00 C ATOM 0 H THR A 45 -16.618 -5.507 -1.394 1.00 0.00 H new ATOM 0 HA THR A 45 -15.986 -7.761 0.342 1.00 0.00 H new ATOM 0 HB THR A 45 -16.342 -8.991 -1.903 1.00 0.00 H new ATOM 0 HG1 THR A 45 -17.264 -7.615 -3.542 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.777 -8.531 -1.882 1.00 0.00 H new ATOM 0 HG22 THR A 45 -18.139 -8.658 -0.225 1.00 0.00 H new ATOM 0 HG23 THR A 45 -18.493 -7.059 -0.922 1.00 0.00 H new ATOM 1207 N MET A 46 -13.575 -6.543 -1.319 1.00 0.00 N ATOM 1208 CA MET A 46 -12.135 -6.724 -1.681 1.00 0.00 C ATOM 1209 C MET A 46 -11.221 -6.300 -0.508 1.00 0.00 C ATOM 1210 O MET A 46 -10.008 -6.377 -0.602 1.00 0.00 O ATOM 1211 CB MET A 46 -11.826 -5.869 -2.917 1.00 0.00 C ATOM 1212 CG MET A 46 -10.350 -6.012 -3.292 1.00 0.00 C ATOM 1213 SD MET A 46 -10.187 -6.041 -5.092 1.00 0.00 S ATOM 1214 CE MET A 46 -9.244 -4.507 -5.254 1.00 0.00 C ATOM 0 H MET A 46 -13.906 -5.578 -1.336 1.00 0.00 H new ATOM 0 HA MET A 46 -11.947 -7.776 -1.896 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.454 -6.180 -3.752 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.059 -4.824 -2.715 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.776 -5.183 -2.877 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.942 -6.928 -2.864 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.027 -4.323 -6.306 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.827 -3.678 -4.853 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.309 -4.595 -4.701 1.00 0.00 H new ATOM 1224 N ARG A 47 -11.780 -5.847 0.592 1.00 0.00 N ATOM 1225 CA ARG A 47 -10.926 -5.421 1.752 1.00 0.00 C ATOM 1226 C ARG A 47 -9.915 -6.529 2.104 1.00 0.00 C ATOM 1227 O ARG A 47 -10.221 -7.706 2.055 1.00 0.00 O ATOM 1228 CB ARG A 47 -11.809 -5.130 2.976 1.00 0.00 C ATOM 1229 CG ARG A 47 -12.771 -3.959 2.699 1.00 0.00 C ATOM 1230 CD ARG A 47 -12.187 -2.996 1.657 1.00 0.00 C ATOM 1231 NE ARG A 47 -10.908 -2.418 2.178 1.00 0.00 N ATOM 1232 CZ ARG A 47 -10.086 -1.762 1.399 1.00 0.00 C ATOM 1233 NH1 ARG A 47 -10.345 -1.597 0.130 1.00 0.00 N ATOM 1234 NH2 ARG A 47 -9.002 -1.256 1.908 1.00 0.00 N ATOM 0 H ARG A 47 -12.785 -5.754 0.737 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.385 -4.517 1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.381 -6.021 3.236 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.180 -4.893 3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.727 -4.346 2.345 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.969 -3.420 3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.006 -3.522 0.720 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.899 -2.199 1.443 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.672 -2.538 3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.200 -1.982 -0.270 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.692 -1.083 -0.461 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.802 -1.373 2.901 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.351 -0.742 1.314 1.00 0.00 H new ATOM 1248 N LYS A 48 -8.709 -6.148 2.452 1.00 0.00 N ATOM 1249 CA LYS A 48 -7.658 -7.157 2.804 1.00 0.00 C ATOM 1250 C LYS A 48 -7.195 -6.933 4.258 1.00 0.00 C ATOM 1251 O LYS A 48 -7.849 -6.257 5.026 1.00 0.00 O ATOM 1252 CB LYS A 48 -6.462 -7.005 1.849 1.00 0.00 C ATOM 1253 CG LYS A 48 -6.953 -6.862 0.401 1.00 0.00 C ATOM 1254 CD LYS A 48 -7.374 -8.231 -0.144 1.00 0.00 C ATOM 1255 CE LYS A 48 -6.170 -8.926 -0.790 1.00 0.00 C ATOM 1256 NZ LYS A 48 -5.969 -8.397 -2.172 1.00 0.00 N ATOM 0 H LYS A 48 -8.405 -5.176 2.508 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.070 -8.161 2.709 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.873 -6.132 2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.807 -7.872 1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.794 -6.170 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.163 -6.441 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.771 -8.847 0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.172 -8.111 -0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.275 -8.757 -0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.333 -10.003 -0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.387 -9.064 -2.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.892 -8.282 -2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.488 -7.476 -2.125 1.00 0.00 H new ATOM 1270 N ASP A 49 -6.073 -7.498 4.636 1.00 0.00 N ATOM 1271 CA ASP A 49 -5.570 -7.322 6.036 1.00 0.00 C ATOM 1272 C ASP A 49 -4.881 -5.951 6.185 1.00 0.00 C ATOM 1273 O ASP A 49 -5.510 -4.965 6.527 1.00 0.00 O ATOM 1274 CB ASP A 49 -4.577 -8.450 6.358 1.00 0.00 C ATOM 1275 CG ASP A 49 -5.304 -9.593 7.071 1.00 0.00 C ATOM 1276 OD1 ASP A 49 -5.829 -9.358 8.147 1.00 0.00 O ATOM 1277 OD2 ASP A 49 -5.318 -10.685 6.529 1.00 0.00 O ATOM 0 H ASP A 49 -5.483 -8.074 4.035 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.408 -7.364 6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.118 -8.816 5.440 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.772 -8.070 6.987 1.00 0.00 H new ATOM 1282 N GLY A 50 -3.598 -5.878 5.928 1.00 0.00 N ATOM 1283 CA GLY A 50 -2.873 -4.572 6.053 1.00 0.00 C ATOM 1284 C GLY A 50 -2.782 -3.893 4.681 1.00 0.00 C ATOM 1285 O GLY A 50 -3.023 -4.508 3.658 1.00 0.00 O ATOM 0 H GLY A 50 -3.020 -6.666 5.637 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.394 -3.922 6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.873 -4.738 6.454 1.00 0.00 H new ATOM 1289 N ILE A 51 -2.436 -2.628 4.649 1.00 0.00 N ATOM 1290 CA ILE A 51 -2.325 -1.909 3.344 1.00 0.00 C ATOM 1291 C ILE A 51 -1.380 -2.673 2.410 1.00 0.00 C ATOM 1292 O ILE A 51 -0.270 -3.007 2.774 1.00 0.00 O ATOM 1293 CB ILE A 51 -1.772 -0.504 3.578 1.00 0.00 C ATOM 1294 CG1 ILE A 51 -2.765 0.294 4.426 1.00 0.00 C ATOM 1295 CG2 ILE A 51 -1.568 0.198 2.229 1.00 0.00 C ATOM 1296 CD1 ILE A 51 -2.482 1.785 4.267 1.00 0.00 C ATOM 0 H ILE A 51 -2.226 -2.064 5.472 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.313 -1.843 2.888 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.817 -0.569 4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.786 0.071 4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.680 0.006 5.474 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.174 1.200 2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.863 -0.373 1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.522 0.266 1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.188 2.356 4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.466 2.000 4.598 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.590 2.066 3.219 1.00 0.00 H new ATOM 1308 N GLN A 52 -1.808 -2.941 1.207 1.00 0.00 N ATOM 1309 CA GLN A 52 -0.933 -3.671 0.244 1.00 0.00 C ATOM 1310 C GLN A 52 0.220 -2.753 -0.190 1.00 0.00 C ATOM 1311 O GLN A 52 0.037 -1.570 -0.374 1.00 0.00 O ATOM 1312 CB GLN A 52 -1.761 -4.076 -0.981 1.00 0.00 C ATOM 1313 CG GLN A 52 -2.598 -5.322 -0.643 1.00 0.00 C ATOM 1314 CD GLN A 52 -3.987 -5.244 -1.300 1.00 0.00 C ATOM 1315 OE1 GLN A 52 -4.498 -6.237 -1.782 1.00 0.00 O ATOM 1316 NE2 GLN A 52 -4.636 -4.113 -1.327 1.00 0.00 N ATOM 0 H GLN A 52 -2.728 -2.686 0.848 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.525 -4.564 0.717 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.414 -3.256 -1.280 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.104 -4.284 -1.825 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.079 -6.218 -0.985 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.707 -5.410 0.438 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.216 -3.274 -0.926 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.563 -4.067 -1.750 1.00 0.00 H new ATOM 1325 N THR A 53 1.406 -3.285 -0.355 1.00 0.00 N ATOM 1326 CA THR A 53 2.558 -2.426 -0.785 1.00 0.00 C ATOM 1327 C THR A 53 3.599 -3.270 -1.519 1.00 0.00 C ATOM 1328 O THR A 53 3.671 -4.477 -1.367 1.00 0.00 O ATOM 1329 CB THR A 53 3.220 -1.745 0.423 1.00 0.00 C ATOM 1330 OG1 THR A 53 4.530 -1.315 0.066 1.00 0.00 O ATOM 1331 CG2 THR A 53 3.305 -2.720 1.598 1.00 0.00 C ATOM 0 H THR A 53 1.628 -4.270 -0.212 1.00 0.00 H new ATOM 0 HA THR A 53 2.170 -1.657 -1.453 1.00 0.00 H new ATOM 0 HB THR A 53 2.619 -0.885 0.719 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.952 -0.879 0.835 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.776 -2.226 2.448 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.302 -3.043 1.876 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.898 -3.588 1.309 1.00 0.00 H new ATOM 1339 N ARG A 54 4.407 -2.625 -2.314 1.00 0.00 N ATOM 1340 CA ARG A 54 5.471 -3.344 -3.080 1.00 0.00 C ATOM 1341 C ARG A 54 6.633 -2.381 -3.367 1.00 0.00 C ATOM 1342 O ARG A 54 6.790 -1.372 -2.705 1.00 0.00 O ATOM 1343 CB ARG A 54 4.876 -3.854 -4.395 1.00 0.00 C ATOM 1344 CG ARG A 54 4.983 -5.377 -4.438 1.00 0.00 C ATOM 1345 CD ARG A 54 4.695 -5.865 -5.857 1.00 0.00 C ATOM 1346 NE ARG A 54 3.272 -6.341 -5.944 1.00 0.00 N ATOM 1347 CZ ARG A 54 2.788 -7.239 -5.124 1.00 0.00 C ATOM 1348 NH1 ARG A 54 3.561 -7.877 -4.291 1.00 0.00 N ATOM 1349 NH2 ARG A 54 1.521 -7.528 -5.168 1.00 0.00 N ATOM 0 H ARG A 54 4.377 -1.617 -2.469 1.00 0.00 H new ATOM 0 HA ARG A 54 5.845 -4.187 -2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.833 -3.548 -4.479 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.405 -3.416 -5.241 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.980 -5.692 -4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.276 -5.822 -3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.865 -5.059 -6.571 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.377 -6.674 -6.120 1.00 0.00 H new ATOM 0 HE ARG A 54 2.664 -5.952 -6.665 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.562 -7.680 -4.271 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.165 -8.574 -3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.913 -7.056 -5.838 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.135 -8.227 -4.533 1.00 0.00 H new ATOM 1363 N ASN A 55 7.440 -2.670 -4.364 1.00 0.00 N ATOM 1364 CA ASN A 55 8.569 -1.752 -4.707 1.00 0.00 C ATOM 1365 C ASN A 55 7.980 -0.369 -5.028 1.00 0.00 C ATOM 1366 O ASN A 55 7.363 -0.170 -6.059 1.00 0.00 O ATOM 1367 CB ASN A 55 9.327 -2.298 -5.927 1.00 0.00 C ATOM 1368 CG ASN A 55 10.646 -1.538 -6.111 1.00 0.00 C ATOM 1369 OD1 ASN A 55 10.774 -0.410 -5.687 1.00 0.00 O ATOM 1370 ND2 ASN A 55 11.638 -2.114 -6.732 1.00 0.00 N ATOM 0 H ASN A 55 7.363 -3.500 -4.951 1.00 0.00 H new ATOM 0 HA ASN A 55 9.266 -1.677 -3.872 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.526 -3.361 -5.795 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.712 -2.198 -6.822 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.518 -1.615 -6.860 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.533 -3.063 -7.090 1.00 0.00 H new ATOM 1377 N ARG A 56 8.141 0.572 -4.130 1.00 0.00 N ATOM 1378 CA ARG A 56 7.575 1.943 -4.334 1.00 0.00 C ATOM 1379 C ARG A 56 7.872 2.454 -5.751 1.00 0.00 C ATOM 1380 O ARG A 56 8.951 2.268 -6.281 1.00 0.00 O ATOM 1381 CB ARG A 56 8.180 2.900 -3.298 1.00 0.00 C ATOM 1382 CG ARG A 56 9.682 3.060 -3.551 1.00 0.00 C ATOM 1383 CD ARG A 56 9.978 4.500 -3.985 1.00 0.00 C ATOM 1384 NE ARG A 56 10.422 5.290 -2.798 1.00 0.00 N ATOM 1385 CZ ARG A 56 11.038 6.437 -2.937 1.00 0.00 C ATOM 1386 NH1 ARG A 56 11.250 6.944 -4.116 1.00 0.00 N ATOM 1387 NH2 ARG A 56 11.428 7.089 -1.881 1.00 0.00 N ATOM 0 H ARG A 56 8.647 0.447 -3.253 1.00 0.00 H new ATOM 0 HA ARG A 56 6.493 1.897 -4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.687 3.871 -3.355 1.00 0.00 H new ATOM 0 HB3 ARG A 56 8.011 2.515 -2.292 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.241 2.819 -2.647 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.008 2.362 -4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.752 4.509 -4.753 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.088 4.950 -4.424 1.00 0.00 H new ATOM 0 HE ARG A 56 10.242 4.929 -1.861 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.935 6.447 -4.949 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.731 7.839 -4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.253 6.706 -0.952 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.908 7.983 -1.982 1.00 0.00 H new ATOM 1401 N LYS A 57 6.911 3.100 -6.361 1.00 0.00 N ATOM 1402 CA LYS A 57 7.106 3.637 -7.743 1.00 0.00 C ATOM 1403 C LYS A 57 8.338 4.560 -7.779 1.00 0.00 C ATOM 1404 O LYS A 57 8.587 5.322 -6.860 1.00 0.00 O ATOM 1405 CB LYS A 57 5.848 4.416 -8.149 1.00 0.00 C ATOM 1406 CG LYS A 57 6.059 5.102 -9.503 1.00 0.00 C ATOM 1407 CD LYS A 57 6.063 6.622 -9.307 1.00 0.00 C ATOM 1408 CE LYS A 57 4.671 7.201 -9.594 1.00 0.00 C ATOM 1409 NZ LYS A 57 3.669 6.620 -8.650 1.00 0.00 N ATOM 0 H LYS A 57 5.992 3.280 -5.958 1.00 0.00 H new ATOM 0 HA LYS A 57 7.271 2.816 -8.441 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.996 3.739 -8.206 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.613 5.161 -7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.002 4.778 -9.944 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.268 4.815 -10.196 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.361 6.863 -8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.798 7.079 -9.970 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.692 8.286 -9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.383 6.983 -10.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.771 7.137 -8.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.515 5.618 -8.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.023 6.701 -7.675 1.00 0.00 H new