USER MOD reduce.3.24.130724 H: found=0, std=0, add=1347, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1170 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: B 619 MET CE :methyl -177:sc= 0 (180deg=-0.0166) USER MOD Set 1.2: B 673 MET CE :methyl 161:sc= -0.224 (180deg=-0.831) USER MOD Set 2.1: B 637 GLN :FLIP amide:sc= -0.982 F(o=-1.6,f=-0.98) USER MOD Set 2.2: B 641 GLN :FLIP amide:sc=-0.000229 F(o=-1.7,f=-0.98) USER MOD Set 3.1: B 602 MET CE :methyl -159:sc= 0 (180deg=0) USER MOD Set 3.2: B 607 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 75 ASN : amide:sc= -3.36 K(o=-4.3,f=-5.2) USER MOD Set 4.2: B 648 THR OG1 : rot -110:sc= -0.993 USER MOD Set 5.1: A 66 ASN :FLIP amide:sc= -0.0364 F(o=0.44,f=0.99) USER MOD Set 5.2: A 67 THR OG1 : rot 77:sc= 1.03 USER MOD Set 6.1: A 25 MET CE :methyl -118:sc= -6.03! (180deg=-11.5!) USER MOD Set 6.2: B 663 MET CE :methyl -111:sc= -2.82 (180deg=-6.53!) USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.00724) USER MOD Single : A 1 MET N :NH3+ -154:sc= -0.0225 (180deg=-0.638) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= -0.0612 X(o=-0.061,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.385 X(o=-0.39,f=-0.067) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= -0.218 USER MOD Single : A 21 LYS NZ :NH3+ -122:sc=-0.000788 (180deg=-1.04) USER MOD Single : A 27 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-1.1) USER MOD Single : A 28 THR OG1 : rot 90:sc= -2.2! USER MOD Single : A 31 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.41) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.205 K(o=-0.21,f=-1.1) USER MOD Single : A 43 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=-0.16) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 47 SER OG : rot 14:sc= 0.796 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.258 K(o=-0.26,f=-1.5!) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.118 F(o=-0.81,f=-0.12) USER MOD Single : A 64 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00679) USER MOD Single : A 73 GLN : amide:sc= -0.457 K(o=-0.46,f=-2.1) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.0899 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 80:sc= 0.135 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.486 USER MOD Single : B 601 SER OG : rot 180:sc= 0 USER MOD Single : B 603 SER OG : rot 180:sc= 0 USER MOD Single : B 604 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : B 606 MET CE :methyl 177:sc= -0.715 (180deg=-0.736) USER MOD Single : B 608 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 609 TYR OH : rot 180:sc= 0 USER MOD Single : B 612 MET CE :methyl -174:sc= 0 (180deg=-0.0473) USER MOD Single : B 615 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 180:sc= 0 USER MOD Single : B 627 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 628 SER OG : rot 76:sc= 0.301 USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 645 GLN : amide:sc= 0.00452 X(o=0.0045,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : B 652 TYR OH : rot 180:sc= 0 USER MOD Single : B 653 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : B 656 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD Single : B 658 GLN : amide:sc= -2.29 K(o=-2.3,f=-5.6!) USER MOD Single : B 660 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 661 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.44) USER MOD Single : B 670 TYR OH : rot 180:sc= -0.648 USER MOD Single : B 671 HIS : no HD1:sc=-0.00537 X(o=-0.0054,f=-0.0054) USER MOD Single : B 674 SER OG : rot 180:sc= 0.0385 USER MOD Single : B 675 SER OG : rot 180:sc= 0 USER MOD Single : B 676 THR OG1 : rot 180:sc=0.000276 USER MOD Single : B 677 HIS :FLIP no HD1:sc= -0.198 F(o=-1.2,f=-0.2) USER MOD Single : B 680 ASN : amide:sc= -0.0307 K(o=-0.031,f=-1.3) USER MOD Single : B 681 THR OG1 : rot 180:sc= 0 USER MOD Single : B 682 MET CE :methyl 138:sc= -4.64! (180deg=-6.89!) USER MOD Single : B 684 MET CE :methyl 180:sc=-0.000968 (180deg=-0.000968) USER MOD Single : B 685 MET CE :methyl -148:sc= 0 (180deg=-0.157) USER MOD Single : B 689 THR OG1 : rot 180:sc= 0 USER MOD Single : B 694 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00687) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.779 -36.449 17.291 1.00 0.00 N ATOM 2 CA MET A 1 18.553 -35.849 18.601 1.00 0.00 C ATOM 3 C MET A 1 17.448 -34.799 18.533 1.00 0.00 C ATOM 4 O MET A 1 17.685 -33.618 18.787 1.00 0.00 O ATOM 5 CB MET A 1 19.843 -35.215 19.125 1.00 0.00 C ATOM 6 CG MET A 1 21.051 -36.134 19.034 1.00 0.00 C ATOM 7 SD MET A 1 22.212 -35.628 17.751 1.00 0.00 S ATOM 8 CE MET A 1 22.418 -37.166 16.855 1.00 0.00 C ATOM 0 H1 MET A 1 19.171 -37.405 17.410 1.00 0.00 H new ATOM 0 H2 MET A 1 17.878 -36.506 16.775 1.00 0.00 H new ATOM 0 H3 MET A 1 19.450 -35.864 16.752 1.00 0.00 H new ATOM 0 HA MET A 1 18.241 -36.637 19.286 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.046 -34.304 18.561 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.698 -34.921 20.164 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.563 -36.151 19.996 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.715 -37.151 18.834 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.151 -37.029 16.060 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.764 -37.942 17.538 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.464 -37.465 16.421 1.00 0.00 H new ATOM 16 N SER A 2 16.242 -35.237 18.188 1.00 0.00 N ATOM 17 CA SER A 2 15.102 -34.333 18.083 1.00 0.00 C ATOM 18 C SER A 2 15.381 -33.220 17.077 1.00 0.00 C ATOM 19 O SER A 2 15.156 -32.043 17.359 1.00 0.00 O ATOM 20 CB SER A 2 14.775 -33.730 19.451 1.00 0.00 C ATOM 21 OG SER A 2 14.678 -34.738 20.442 1.00 0.00 O ATOM 0 H SER A 2 16.029 -36.212 17.976 1.00 0.00 H new ATOM 0 HA SER A 2 14.245 -34.908 17.733 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.548 -33.014 19.730 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.836 -33.180 19.394 1.00 0.00 H new ATOM 0 HG SER A 2 14.470 -34.327 21.307 1.00 0.00 H new ATOM 26 N LEU A 3 15.872 -33.603 15.904 1.00 0.00 N ATOM 27 CA LEU A 3 16.183 -32.638 14.855 1.00 0.00 C ATOM 28 C LEU A 3 14.923 -31.915 14.388 1.00 0.00 C ATOM 29 O LEU A 3 13.987 -32.539 13.888 1.00 0.00 O ATOM 30 CB LEU A 3 16.849 -33.341 13.670 1.00 0.00 C ATOM 31 CG LEU A 3 16.047 -34.468 13.020 1.00 0.00 C ATOM 32 CD1 LEU A 3 15.655 -34.094 11.599 1.00 0.00 C ATOM 33 CD2 LEU A 3 16.843 -35.765 13.032 1.00 0.00 C ATOM 0 H LEU A 3 16.063 -34.574 15.655 1.00 0.00 H new ATOM 0 HA LEU A 3 16.871 -31.900 15.267 1.00 0.00 H new ATOM 0 HB2 LEU A 3 17.070 -32.594 12.908 1.00 0.00 H new ATOM 0 HB3 LEU A 3 17.803 -33.748 14.004 1.00 0.00 H new ATOM 0 HG LEU A 3 15.135 -34.619 13.598 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.085 -34.909 11.153 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.045 -33.191 11.616 1.00 0.00 H new ATOM 0 HD13 LEU A 3 16.554 -33.914 11.009 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.256 -36.556 12.565 1.00 0.00 H new ATOM 0 HD22 LEU A 3 17.772 -35.627 12.478 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.072 -36.042 14.061 1.00 0.00 H new ATOM 44 N LEU A 4 14.908 -30.597 14.554 1.00 0.00 N ATOM 45 CA LEU A 4 13.764 -29.789 14.148 1.00 0.00 C ATOM 46 C LEU A 4 12.511 -30.191 14.919 1.00 0.00 C ATOM 47 O LEU A 4 12.570 -31.018 15.829 1.00 0.00 O ATOM 48 CB LEU A 4 13.519 -29.934 12.644 1.00 0.00 C ATOM 49 CG LEU A 4 13.291 -28.634 11.873 1.00 0.00 C ATOM 50 CD1 LEU A 4 14.618 -27.962 11.555 1.00 0.00 C ATOM 51 CD2 LEU A 4 12.508 -28.901 10.596 1.00 0.00 C ATOM 0 H LEU A 4 15.675 -30.066 14.967 1.00 0.00 H new ATOM 0 HA LEU A 4 13.989 -28.747 14.375 1.00 0.00 H new ATOM 0 HB2 LEU A 4 14.374 -30.448 12.205 1.00 0.00 H new ATOM 0 HB3 LEU A 4 12.651 -30.577 12.498 1.00 0.00 H new ATOM 0 HG LEU A 4 12.707 -27.961 12.500 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.436 -27.038 11.006 1.00 0.00 H new ATOM 0 HD12 LEU A 4 15.143 -27.735 12.483 1.00 0.00 H new ATOM 0 HD13 LEU A 4 15.228 -28.631 10.948 1.00 0.00 H new ATOM 0 HD21 LEU A 4 12.355 -27.964 10.060 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.066 -29.593 9.965 1.00 0.00 H new ATOM 0 HD23 LEU A 4 11.541 -29.338 10.847 1.00 0.00 H new ATOM 62 N ASP A 5 11.380 -29.602 14.548 1.00 0.00 N ATOM 63 CA ASP A 5 10.112 -29.902 15.204 1.00 0.00 C ATOM 64 C ASP A 5 10.213 -29.683 16.710 1.00 0.00 C ATOM 65 O ASP A 5 10.189 -30.635 17.489 1.00 0.00 O ATOM 66 CB ASP A 5 9.691 -31.342 14.913 1.00 0.00 C ATOM 67 CG ASP A 5 9.614 -31.635 13.426 1.00 0.00 C ATOM 68 OD1 ASP A 5 10.671 -31.911 12.822 1.00 0.00 O ATOM 69 OD2 ASP A 5 8.498 -31.587 12.869 1.00 0.00 O ATOM 0 H ASP A 5 11.315 -28.915 13.797 1.00 0.00 H new ATOM 0 HA ASP A 5 9.357 -29.224 14.807 1.00 0.00 H new ATOM 0 HB2 ASP A 5 10.401 -32.026 15.379 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.719 -31.532 15.368 1.00 0.00 H new ATOM 73 N ALA A 6 10.327 -28.421 17.113 1.00 0.00 N ATOM 74 CA ALA A 6 10.432 -28.077 18.525 1.00 0.00 C ATOM 75 C ALA A 6 9.128 -27.475 19.041 1.00 0.00 C ATOM 76 O ALA A 6 8.508 -28.010 19.961 1.00 0.00 O ATOM 77 CB ALA A 6 11.586 -27.111 18.749 1.00 0.00 C ATOM 0 H ALA A 6 10.349 -27.621 16.481 1.00 0.00 H new ATOM 0 HA ALA A 6 10.626 -28.993 19.083 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.652 -26.863 19.808 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.518 -27.576 18.426 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.416 -26.201 18.173 1.00 0.00 H new ATOM 83 N HIS A 7 8.721 -26.360 18.445 1.00 0.00 N ATOM 84 CA HIS A 7 7.491 -25.685 18.845 1.00 0.00 C ATOM 85 C HIS A 7 6.801 -25.053 17.640 1.00 0.00 C ATOM 86 O HIS A 7 6.254 -23.953 17.733 1.00 0.00 O ATOM 87 CB HIS A 7 7.790 -24.616 19.896 1.00 0.00 C ATOM 88 CG HIS A 7 6.783 -24.566 21.004 1.00 0.00 C ATOM 89 ND1 HIS A 7 6.127 -23.411 21.374 1.00 0.00 N ATOM 90 CD2 HIS A 7 6.319 -25.539 21.822 1.00 0.00 C ATOM 91 CE1 HIS A 7 5.305 -23.676 22.374 1.00 0.00 C ATOM 92 NE2 HIS A 7 5.402 -24.961 22.665 1.00 0.00 N ATOM 0 H HIS A 7 9.224 -25.904 17.684 1.00 0.00 H new ATOM 0 HA HIS A 7 6.821 -26.429 19.275 1.00 0.00 H new ATOM 0 HB2 HIS A 7 8.776 -24.802 20.321 1.00 0.00 H new ATOM 0 HB3 HIS A 7 7.831 -23.641 19.409 1.00 0.00 H new ATOM 0 HD2 HIS A 7 6.615 -26.578 21.813 1.00 0.00 H new ATOM 0 HE1 HIS A 7 4.663 -22.963 22.869 1.00 0.00 H new ATOM 0 HE2 HIS A 7 4.881 -25.445 23.396 1.00 0.00 H new ATOM 99 N ILE A 8 6.833 -25.753 16.512 1.00 0.00 N ATOM 100 CA ILE A 8 6.211 -25.259 15.289 1.00 0.00 C ATOM 101 C ILE A 8 4.711 -25.532 15.286 1.00 0.00 C ATOM 102 O ILE A 8 4.226 -26.478 15.907 1.00 0.00 O ATOM 103 CB ILE A 8 6.840 -25.901 14.038 1.00 0.00 C ATOM 104 CG1 ILE A 8 6.466 -27.383 13.957 1.00 0.00 C ATOM 105 CG2 ILE A 8 8.351 -25.731 14.059 1.00 0.00 C ATOM 106 CD1 ILE A 8 7.081 -28.096 12.773 1.00 0.00 C ATOM 0 H ILE A 8 7.283 -26.664 16.419 1.00 0.00 H new ATOM 0 HA ILE A 8 6.383 -24.183 15.261 1.00 0.00 H new ATOM 0 HB ILE A 8 6.450 -25.398 13.153 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.781 -27.880 14.874 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.381 -27.473 13.902 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.781 -26.190 13.169 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.598 -24.669 14.075 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.759 -26.212 14.948 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.774 -29.142 12.778 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.746 -27.624 11.850 1.00 0.00 H new ATOM 0 HD13 ILE A 8 8.168 -28.037 12.837 1.00 0.00 H new ATOM 117 N PRO A 9 3.957 -24.684 14.571 1.00 0.00 N ATOM 118 CA PRO A 9 2.499 -24.815 14.469 1.00 0.00 C ATOM 119 C PRO A 9 2.083 -26.032 13.649 1.00 0.00 C ATOM 120 O PRO A 9 2.892 -26.923 13.390 1.00 0.00 O ATOM 121 CB PRO A 9 2.077 -23.524 13.761 1.00 0.00 C ATOM 122 CG PRO A 9 3.280 -23.104 12.990 1.00 0.00 C ATOM 123 CD PRO A 9 4.467 -23.535 13.807 1.00 0.00 C ATOM 0 HA PRO A 9 2.032 -24.956 15.444 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.225 -23.694 13.103 1.00 0.00 H new ATOM 0 HB3 PRO A 9 1.779 -22.759 14.478 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.294 -23.570 12.005 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.286 -22.025 12.832 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.309 -23.815 13.175 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.813 -22.737 14.464 1.00 0.00 H new ATOM 128 N GLN A 10 0.818 -26.062 13.245 1.00 0.00 N ATOM 129 CA GLN A 10 0.295 -27.171 12.455 1.00 0.00 C ATOM 130 C GLN A 10 -1.184 -26.966 12.141 1.00 0.00 C ATOM 131 O GLN A 10 -2.020 -26.919 13.043 1.00 0.00 O ATOM 132 CB GLN A 10 0.491 -28.493 13.201 1.00 0.00 C ATOM 133 CG GLN A 10 1.052 -29.605 12.330 1.00 0.00 C ATOM 134 CD GLN A 10 1.827 -30.635 13.127 1.00 0.00 C ATOM 135 OE1 GLN A 10 1.576 -31.837 13.020 1.00 0.00 O ATOM 136 NE2 GLN A 10 2.774 -30.172 13.933 1.00 0.00 N ATOM 0 H GLN A 10 0.136 -25.332 13.451 1.00 0.00 H new ATOM 0 HA GLN A 10 0.846 -27.206 11.515 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.163 -28.329 14.044 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.466 -28.813 13.613 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.234 -30.098 11.805 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.704 -29.173 11.571 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.949 -29.169 13.991 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.327 -30.819 14.494 1.00 0.00 H new ATOM 143 N LEU A 11 -1.497 -26.844 10.856 1.00 0.00 N ATOM 144 CA LEU A 11 -2.876 -26.643 10.422 1.00 0.00 C ATOM 145 C LEU A 11 -3.473 -25.396 11.065 1.00 0.00 C ATOM 146 O LEU A 11 -4.691 -25.276 11.199 1.00 0.00 O ATOM 147 CB LEU A 11 -3.725 -27.867 10.769 1.00 0.00 C ATOM 148 CG LEU A 11 -3.531 -29.094 9.878 1.00 0.00 C ATOM 149 CD1 LEU A 11 -2.246 -29.821 10.243 1.00 0.00 C ATOM 150 CD2 LEU A 11 -4.725 -30.029 9.989 1.00 0.00 C ATOM 0 H LEU A 11 -0.816 -26.881 10.097 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.874 -26.506 9.341 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.510 -28.153 11.799 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.775 -27.578 10.731 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.453 -28.759 8.844 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.125 -30.692 9.598 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.398 -29.150 10.110 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.293 -30.144 11.283 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.569 -30.896 9.348 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.835 -30.357 11.023 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.628 -29.505 9.676 1.00 0.00 H new ATOM 161 N VAL A 12 -2.608 -24.468 11.461 1.00 0.00 N ATOM 162 CA VAL A 12 -3.051 -23.228 12.087 1.00 0.00 C ATOM 163 C VAL A 12 -3.350 -22.160 11.041 1.00 0.00 C ATOM 164 O VAL A 12 -2.629 -22.024 10.054 1.00 0.00 O ATOM 165 CB VAL A 12 -1.994 -22.687 13.068 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.466 -21.385 13.699 1.00 0.00 C ATOM 167 CG2 VAL A 12 -1.680 -23.722 14.137 1.00 0.00 C ATOM 0 H VAL A 12 -1.596 -24.551 11.359 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.963 -23.459 12.637 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.079 -22.483 12.511 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.706 -21.018 14.389 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.636 -20.643 12.919 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.395 -21.560 14.242 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.931 -23.323 14.821 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.588 -23.960 14.691 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.295 -24.626 13.666 1.00 0.00 H new ATOM 177 N ALA A 13 -4.420 -21.404 11.266 1.00 0.00 N ATOM 178 CA ALA A 13 -4.815 -20.346 10.344 1.00 0.00 C ATOM 179 C ALA A 13 -4.949 -20.879 8.921 1.00 0.00 C ATOM 180 O ALA A 13 -4.675 -20.169 7.954 1.00 0.00 O ATOM 181 CB ALA A 13 -3.810 -19.204 10.389 1.00 0.00 C ATOM 0 H ALA A 13 -5.028 -21.505 12.078 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.789 -19.971 10.657 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.118 -18.421 9.696 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.766 -18.797 11.399 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.825 -19.575 10.104 1.00 0.00 H new ATOM 187 N SER A 14 -5.371 -22.134 8.802 1.00 0.00 N ATOM 188 CA SER A 14 -5.537 -22.764 7.497 1.00 0.00 C ATOM 189 C SER A 14 -6.886 -22.398 6.885 1.00 0.00 C ATOM 190 O SER A 14 -7.025 -22.321 5.665 1.00 0.00 O ATOM 191 CB SER A 14 -5.416 -24.283 7.621 1.00 0.00 C ATOM 192 OG SER A 14 -5.710 -24.921 6.390 1.00 0.00 O ATOM 0 H SER A 14 -5.604 -22.734 9.593 1.00 0.00 H new ATOM 0 HA SER A 14 -4.748 -22.397 6.841 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.407 -24.546 7.938 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.097 -24.643 8.392 1.00 0.00 H new ATOM 0 HG SER A 14 -5.624 -25.891 6.496 1.00 0.00 H new ATOM 197 N GLN A 15 -7.877 -22.176 7.742 1.00 0.00 N ATOM 198 CA GLN A 15 -9.216 -21.819 7.286 1.00 0.00 C ATOM 199 C GLN A 15 -9.169 -20.621 6.343 1.00 0.00 C ATOM 200 O GLN A 15 -9.538 -20.725 5.173 1.00 0.00 O ATOM 201 CB GLN A 15 -10.118 -21.507 8.481 1.00 0.00 C ATOM 202 CG GLN A 15 -10.614 -22.746 9.210 1.00 0.00 C ATOM 203 CD GLN A 15 -11.861 -22.481 10.029 1.00 0.00 C ATOM 204 OE1 GLN A 15 -12.971 -22.830 9.625 1.00 0.00 O ATOM 205 NE2 GLN A 15 -11.686 -21.859 11.190 1.00 0.00 N ATOM 0 H GLN A 15 -7.779 -22.237 8.755 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.626 -22.670 6.742 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.572 -20.877 9.183 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.976 -20.930 8.137 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.821 -23.532 8.483 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.826 -23.117 9.865 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.749 -21.587 11.487 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.489 -21.653 11.784 1.00 0.00 H new ATOM 212 N SER A 16 -8.712 -19.485 6.860 1.00 0.00 N ATOM 213 CA SER A 16 -8.621 -18.266 6.065 1.00 0.00 C ATOM 214 C SER A 16 -7.976 -17.141 6.867 1.00 0.00 C ATOM 215 O SER A 16 -8.606 -16.545 7.740 1.00 0.00 O ATOM 216 CB SER A 16 -10.010 -17.837 5.589 1.00 0.00 C ATOM 217 OG SER A 16 -11.025 -18.435 6.377 1.00 0.00 O ATOM 0 H SER A 16 -8.399 -19.383 7.825 1.00 0.00 H new ATOM 0 HA SER A 16 -7.996 -18.474 5.197 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.097 -16.752 5.641 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.143 -18.118 4.544 1.00 0.00 H new ATOM 0 HG SER A 16 -11.904 -18.144 6.054 1.00 0.00 H new ATOM 222 N ALA A 17 -6.714 -16.855 6.565 1.00 0.00 N ATOM 223 CA ALA A 17 -5.982 -15.800 7.255 1.00 0.00 C ATOM 224 C ALA A 17 -5.688 -14.634 6.320 1.00 0.00 C ATOM 225 O ALA A 17 -5.517 -13.498 6.763 1.00 0.00 O ATOM 226 CB ALA A 17 -4.689 -16.351 7.840 1.00 0.00 C ATOM 0 H ALA A 17 -6.177 -17.340 5.846 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.607 -15.430 8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.152 -15.553 8.352 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.920 -17.146 8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.068 -16.749 7.038 1.00 0.00 H new ATOM 232 N PHE A 18 -5.628 -14.920 5.024 1.00 0.00 N ATOM 233 CA PHE A 18 -5.352 -13.894 4.025 1.00 0.00 C ATOM 234 C PHE A 18 -6.466 -12.851 3.995 1.00 0.00 C ATOM 235 O PHE A 18 -6.210 -11.657 3.847 1.00 0.00 O ATOM 236 CB PHE A 18 -5.192 -14.527 2.642 1.00 0.00 C ATOM 237 CG PHE A 18 -4.395 -13.687 1.686 1.00 0.00 C ATOM 238 CD1 PHE A 18 -5.013 -12.714 0.917 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.028 -13.870 1.557 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.281 -11.941 0.036 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.291 -13.099 0.678 1.00 0.00 C ATOM 242 CZ PHE A 18 -2.918 -12.132 -0.082 1.00 0.00 C ATOM 0 H PHE A 18 -5.767 -15.855 4.640 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.421 -13.398 4.298 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.709 -15.498 2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.180 -14.708 2.218 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.078 -12.558 1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.532 -14.624 2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.774 -11.188 -0.560 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.226 -13.253 0.586 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.344 -11.526 -0.767 1.00 0.00 H new ATOM 251 N ALA A 19 -7.705 -13.314 4.134 1.00 0.00 N ATOM 252 CA ALA A 19 -8.858 -12.423 4.124 1.00 0.00 C ATOM 253 C ALA A 19 -8.868 -11.523 5.355 1.00 0.00 C ATOM 254 O ALA A 19 -9.230 -10.350 5.274 1.00 0.00 O ATOM 255 CB ALA A 19 -10.146 -13.229 4.047 1.00 0.00 C ATOM 0 H ALA A 19 -7.935 -14.300 4.255 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.786 -11.786 3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.000 -12.551 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.148 -13.825 3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.214 -13.890 4.911 1.00 0.00 H new ATOM 261 N ALA A 20 -8.468 -12.080 6.493 1.00 0.00 N ATOM 262 CA ALA A 20 -8.429 -11.327 7.740 1.00 0.00 C ATOM 263 C ALA A 20 -7.530 -10.102 7.613 1.00 0.00 C ATOM 264 O ALA A 20 -7.794 -9.060 8.215 1.00 0.00 O ATOM 265 CB ALA A 20 -7.956 -12.217 8.880 1.00 0.00 C ATOM 0 H ALA A 20 -8.166 -13.051 6.577 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.439 -10.982 7.960 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.932 -11.641 9.805 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.641 -13.058 8.994 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.956 -12.591 8.659 1.00 0.00 H new ATOM 271 N LYS A 21 -6.466 -10.233 6.828 1.00 0.00 N ATOM 272 CA LYS A 21 -5.528 -9.136 6.622 1.00 0.00 C ATOM 273 C LYS A 21 -6.105 -8.099 5.664 1.00 0.00 C ATOM 274 O LYS A 21 -5.936 -6.896 5.863 1.00 0.00 O ATOM 275 CB LYS A 21 -4.201 -9.670 6.074 1.00 0.00 C ATOM 276 CG LYS A 21 -3.501 -10.636 7.012 1.00 0.00 C ATOM 277 CD LYS A 21 -2.259 -10.013 7.628 1.00 0.00 C ATOM 278 CE LYS A 21 -2.614 -8.869 8.564 1.00 0.00 C ATOM 279 NZ LYS A 21 -1.943 -9.005 9.887 1.00 0.00 N ATOM 0 H LYS A 21 -6.232 -11.088 6.324 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.351 -8.656 7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.385 -10.169 5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.537 -8.830 5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.188 -10.939 7.803 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.224 -11.538 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.703 -10.774 8.176 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.604 -9.647 6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.326 -7.923 8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.694 -8.838 8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.661 -9.031 10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.389 -9.885 9.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.310 -8.194 10.040 1.00 0.00 H new ATOM 289 N ALA A 22 -6.787 -8.572 4.627 1.00 0.00 N ATOM 290 CA ALA A 22 -7.392 -7.684 3.642 1.00 0.00 C ATOM 291 C ALA A 22 -8.299 -6.658 4.311 1.00 0.00 C ATOM 292 O ALA A 22 -8.243 -5.469 4.000 1.00 0.00 O ATOM 293 CB ALA A 22 -8.173 -8.491 2.614 1.00 0.00 C ATOM 0 H ALA A 22 -6.935 -9.565 4.447 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.592 -7.146 3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.620 -7.816 1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.500 -9.181 2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.960 -9.055 3.115 1.00 0.00 H new ATOM 299 N GLY A 23 -9.136 -7.125 5.233 1.00 0.00 N ATOM 300 CA GLY A 23 -10.043 -6.234 5.931 1.00 0.00 C ATOM 301 C GLY A 23 -9.315 -5.245 6.820 1.00 0.00 C ATOM 302 O GLY A 23 -9.818 -4.153 7.089 1.00 0.00 O ATOM 0 H GLY A 23 -9.202 -8.105 5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.644 -5.689 5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.732 -6.823 6.536 1.00 0.00 H new ATOM 306 N LEU A 24 -8.129 -5.627 7.280 1.00 0.00 N ATOM 307 CA LEU A 24 -7.331 -4.766 8.146 1.00 0.00 C ATOM 308 C LEU A 24 -6.702 -3.627 7.351 1.00 0.00 C ATOM 309 O LEU A 24 -6.498 -2.532 7.874 1.00 0.00 O ATOM 310 CB LEU A 24 -6.239 -5.582 8.842 1.00 0.00 C ATOM 311 CG LEU A 24 -6.484 -5.914 10.314 1.00 0.00 C ATOM 312 CD1 LEU A 24 -6.381 -4.659 11.168 1.00 0.00 C ATOM 313 CD2 LEU A 24 -7.844 -6.572 10.493 1.00 0.00 C ATOM 0 H LEU A 24 -7.699 -6.527 7.068 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.991 -4.337 8.899 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.109 -6.517 8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.300 -5.034 8.765 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.717 -6.616 10.641 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.558 -4.914 12.213 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.385 -4.229 11.064 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.126 -3.934 10.840 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.001 -6.801 11.547 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.625 -5.894 10.149 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.882 -7.493 9.912 1.00 0.00 H new ATOM 324 N MET A 25 -6.399 -3.892 6.085 1.00 0.00 N ATOM 325 CA MET A 25 -5.797 -2.887 5.216 1.00 0.00 C ATOM 326 C MET A 25 -6.747 -1.712 5.004 1.00 0.00 C ATOM 327 O MET A 25 -6.415 -0.570 5.318 1.00 0.00 O ATOM 328 CB MET A 25 -5.423 -3.505 3.868 1.00 0.00 C ATOM 329 CG MET A 25 -4.646 -2.564 2.963 1.00 0.00 C ATOM 330 SD MET A 25 -2.964 -3.133 2.648 1.00 0.00 S ATOM 331 CE MET A 25 -2.304 -3.176 4.312 1.00 0.00 C ATOM 0 H MET A 25 -6.560 -4.794 5.637 1.00 0.00 H new ATOM 0 HA MET A 25 -4.893 -2.518 5.701 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.829 -4.402 4.041 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.333 -3.819 3.357 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.174 -2.460 2.015 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.611 -1.574 3.419 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.471 -2.477 4.391 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.083 -2.894 5.020 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.955 -4.183 4.539 1.00 0.00 H new ATOM 339 N ARG A 26 -7.929 -2.001 4.470 1.00 0.00 N ATOM 340 CA ARG A 26 -8.926 -0.968 4.215 1.00 0.00 C ATOM 341 C ARG A 26 -9.187 -0.143 5.471 1.00 0.00 C ATOM 342 O ARG A 26 -9.535 1.035 5.391 1.00 0.00 O ATOM 343 CB ARG A 26 -10.231 -1.599 3.726 1.00 0.00 C ATOM 344 CG ARG A 26 -10.080 -2.390 2.436 1.00 0.00 C ATOM 345 CD ARG A 26 -11.431 -2.792 1.868 1.00 0.00 C ATOM 346 NE ARG A 26 -11.302 -3.492 0.592 1.00 0.00 N ATOM 347 CZ ARG A 26 -12.329 -4.030 -0.058 1.00 0.00 C ATOM 348 NH1 ARG A 26 -13.553 -3.947 0.445 1.00 0.00 N ATOM 349 NH2 ARG A 26 -12.131 -4.650 -1.213 1.00 0.00 N ATOM 0 H ARG A 26 -8.220 -2.942 4.205 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.538 -0.306 3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.619 -2.258 4.503 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.971 -0.813 3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.539 -1.792 1.703 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.483 -3.282 2.623 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.948 -3.433 2.582 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.047 -1.903 1.733 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.373 -3.572 0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.708 -3.469 1.333 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.339 -4.361 -0.056 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.191 -4.714 -1.603 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.919 -5.063 -1.712 1.00 0.00 H new ATOM 360 N HIS A 27 -9.016 -0.770 6.631 1.00 0.00 N ATOM 361 CA HIS A 27 -9.232 -0.092 7.905 1.00 0.00 C ATOM 362 C HIS A 27 -8.187 0.996 8.127 1.00 0.00 C ATOM 363 O HIS A 27 -8.497 2.078 8.626 1.00 0.00 O ATOM 364 CB HIS A 27 -9.190 -1.099 9.055 1.00 0.00 C ATOM 365 CG HIS A 27 -9.413 -0.480 10.401 1.00 0.00 C ATOM 366 ND1 HIS A 27 -10.069 0.719 10.579 1.00 0.00 N ATOM 367 CD2 HIS A 27 -9.061 -0.903 11.638 1.00 0.00 C ATOM 368 CE1 HIS A 27 -10.112 1.008 11.867 1.00 0.00 C ATOM 369 NE2 HIS A 27 -9.507 0.040 12.531 1.00 0.00 N ATOM 0 H HIS A 27 -8.729 -1.745 6.715 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.216 0.376 7.877 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.948 -1.864 8.886 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.223 -1.602 9.051 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.529 -1.812 11.878 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.565 1.886 12.303 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.390 -0.001 13.543 1.00 0.00 H new ATOM 376 N THR A 28 -6.945 0.702 7.753 1.00 0.00 N ATOM 377 CA THR A 28 -5.853 1.654 7.914 1.00 0.00 C ATOM 378 C THR A 28 -6.063 2.883 7.037 1.00 0.00 C ATOM 379 O THR A 28 -5.941 4.017 7.502 1.00 0.00 O ATOM 380 CB THR A 28 -4.496 1.015 7.566 1.00 0.00 C ATOM 381 OG1 THR A 28 -4.513 -0.380 7.889 1.00 0.00 O ATOM 382 CG2 THR A 28 -3.366 1.701 8.318 1.00 0.00 C ATOM 0 H THR A 28 -6.671 -0.188 7.337 1.00 0.00 H new ATOM 0 HA THR A 28 -5.847 1.955 8.962 1.00 0.00 H new ATOM 0 HB THR A 28 -4.326 1.137 6.496 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.827 -0.891 7.114 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.417 1.232 8.056 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.336 2.756 8.047 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.533 1.607 9.391 1.00 0.00 H new ATOM 390 N ILE A 29 -6.379 2.652 5.766 1.00 0.00 N ATOM 391 CA ILE A 29 -6.607 3.742 4.826 1.00 0.00 C ATOM 392 C ILE A 29 -7.865 4.525 5.187 1.00 0.00 C ATOM 393 O ILE A 29 -7.861 5.755 5.202 1.00 0.00 O ATOM 394 CB ILE A 29 -6.736 3.221 3.382 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.391 2.686 2.888 1.00 0.00 C ATOM 396 CG2 ILE A 29 -7.243 4.324 2.465 1.00 0.00 C ATOM 397 CD1 ILE A 29 -5.083 1.287 3.374 1.00 0.00 C ATOM 0 H ILE A 29 -6.483 1.720 5.365 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.741 4.401 4.890 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.457 2.404 3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.384 2.693 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.599 3.359 3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.329 3.941 1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.220 4.663 2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.543 5.160 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.115 0.972 2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.057 1.278 4.464 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.855 0.602 3.024 1.00 0.00 H new ATOM 408 N GLY A 30 -8.942 3.802 5.479 1.00 0.00 N ATOM 409 CA GLY A 30 -10.193 4.445 5.838 1.00 0.00 C ATOM 410 C GLY A 30 -10.054 5.351 7.045 1.00 0.00 C ATOM 411 O GLY A 30 -10.549 6.478 7.044 1.00 0.00 O ATOM 0 H GLY A 30 -8.971 2.782 5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.555 5.027 4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.944 3.682 6.045 1.00 0.00 H new ATOM 415 N GLN A 31 -9.380 4.857 8.079 1.00 0.00 N ATOM 416 CA GLN A 31 -9.179 5.629 9.300 1.00 0.00 C ATOM 417 C GLN A 31 -8.158 6.741 9.079 1.00 0.00 C ATOM 418 O GLN A 31 -8.401 7.897 9.421 1.00 0.00 O ATOM 419 CB GLN A 31 -8.718 4.715 10.436 1.00 0.00 C ATOM 420 CG GLN A 31 -9.859 4.167 11.277 1.00 0.00 C ATOM 421 CD GLN A 31 -10.730 5.261 11.864 1.00 0.00 C ATOM 422 OE1 GLN A 31 -10.229 6.242 12.412 1.00 0.00 O ATOM 423 NE2 GLN A 31 -12.043 5.097 11.750 1.00 0.00 N ATOM 0 H GLN A 31 -8.964 3.926 8.096 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.131 6.084 9.573 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.155 3.882 10.015 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.035 5.267 11.081 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.474 3.509 10.663 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.451 3.560 12.085 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.415 4.267 11.288 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.679 5.801 12.125 1.00 0.00 H new ATOM 430 N ALA A 32 -7.014 6.382 8.504 1.00 0.00 N ATOM 431 CA ALA A 32 -5.959 7.349 8.236 1.00 0.00 C ATOM 432 C ALA A 32 -6.453 8.464 7.321 1.00 0.00 C ATOM 433 O ALA A 32 -5.952 9.587 7.370 1.00 0.00 O ATOM 434 CB ALA A 32 -4.751 6.656 7.621 1.00 0.00 C ATOM 0 H ALA A 32 -6.796 5.428 8.215 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.664 7.798 9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.970 7.391 7.426 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.374 5.901 8.311 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.042 6.179 6.685 1.00 0.00 H new ATOM 440 N GLU A 33 -7.439 8.146 6.488 1.00 0.00 N ATOM 441 CA GLU A 33 -8.000 9.122 5.562 1.00 0.00 C ATOM 442 C GLU A 33 -8.904 10.110 6.293 1.00 0.00 C ATOM 443 O GLU A 33 -8.791 11.321 6.111 1.00 0.00 O ATOM 444 CB GLU A 33 -8.787 8.415 4.456 1.00 0.00 C ATOM 445 CG GLU A 33 -9.336 9.359 3.400 1.00 0.00 C ATOM 446 CD GLU A 33 -10.850 9.334 3.324 1.00 0.00 C ATOM 447 OE1 GLU A 33 -11.496 9.271 4.391 1.00 0.00 O ATOM 448 OE2 GLU A 33 -11.389 9.374 2.198 1.00 0.00 O ATOM 0 H GLU A 33 -7.865 7.221 6.436 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.175 9.675 5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.141 7.681 3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.614 7.865 4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.004 10.374 3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.923 9.090 2.428 1.00 0.00 H new ATOM 453 N GLN A 34 -9.801 9.581 7.120 1.00 0.00 N ATOM 454 CA GLN A 34 -10.726 10.417 7.877 1.00 0.00 C ATOM 455 C GLN A 34 -9.970 11.416 8.746 1.00 0.00 C ATOM 456 O GLN A 34 -10.428 12.538 8.960 1.00 0.00 O ATOM 457 CB GLN A 34 -11.631 9.547 8.751 1.00 0.00 C ATOM 458 CG GLN A 34 -12.644 10.344 9.559 1.00 0.00 C ATOM 459 CD GLN A 34 -13.621 9.458 10.306 1.00 0.00 C ATOM 460 OE1 GLN A 34 -14.531 8.878 9.711 1.00 0.00 O ATOM 461 NE2 GLN A 34 -13.439 9.347 11.616 1.00 0.00 N ATOM 0 H GLN A 34 -9.907 8.580 7.283 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.340 10.972 7.167 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -12.162 8.837 8.117 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.012 8.964 9.433 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -12.117 10.978 10.271 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.196 11.005 8.891 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.672 9.845 12.068 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.066 8.764 12.170 1.00 0.00 H new ATOM 468 N ALA A 35 -8.809 11.002 9.243 1.00 0.00 N ATOM 469 CA ALA A 35 -7.989 11.862 10.086 1.00 0.00 C ATOM 470 C ALA A 35 -7.702 13.193 9.399 1.00 0.00 C ATOM 471 O ALA A 35 -7.701 14.245 10.039 1.00 0.00 O ATOM 472 CB ALA A 35 -6.687 11.161 10.447 1.00 0.00 C ATOM 0 H ALA A 35 -8.415 10.076 9.076 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.544 12.068 11.001 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.084 11.815 11.077 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.907 10.240 10.986 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.136 10.926 9.536 1.00 0.00 H new ATOM 478 N ALA A 36 -7.461 13.141 8.094 1.00 0.00 N ATOM 479 CA ALA A 36 -7.175 14.342 7.321 1.00 0.00 C ATOM 480 C ALA A 36 -8.350 15.313 7.361 1.00 0.00 C ATOM 481 O ALA A 36 -8.161 16.529 7.405 1.00 0.00 O ATOM 482 CB ALA A 36 -6.839 13.977 5.882 1.00 0.00 C ATOM 0 H ALA A 36 -7.458 12.279 7.549 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.313 14.836 7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.628 14.884 5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.964 13.327 5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.685 13.457 5.431 1.00 0.00 H new ATOM 488 N MET A 37 -9.562 14.769 7.345 1.00 0.00 N ATOM 489 CA MET A 37 -10.768 15.588 7.379 1.00 0.00 C ATOM 490 C MET A 37 -10.752 16.529 8.580 1.00 0.00 C ATOM 491 O MET A 37 -10.805 17.749 8.425 1.00 0.00 O ATOM 492 CB MET A 37 -12.013 14.701 7.431 1.00 0.00 C ATOM 493 CG MET A 37 -12.093 13.701 6.288 1.00 0.00 C ATOM 494 SD MET A 37 -12.555 14.468 4.724 1.00 0.00 S ATOM 495 CE MET A 37 -12.628 13.036 3.652 1.00 0.00 C ATOM 0 H MET A 37 -9.735 13.764 7.309 1.00 0.00 H new ATOM 0 HA MET A 37 -10.795 16.187 6.469 1.00 0.00 H new ATOM 0 HB2 MET A 37 -12.025 14.161 8.378 1.00 0.00 H new ATOM 0 HB3 MET A 37 -12.901 15.333 7.413 1.00 0.00 H new ATOM 0 HG2 MET A 37 -11.128 13.207 6.175 1.00 0.00 H new ATOM 0 HG3 MET A 37 -12.820 12.928 6.537 1.00 0.00 H new ATOM 0 HE1 MET A 37 -12.903 13.349 2.645 1.00 0.00 H new ATOM 0 HE2 MET A 37 -11.653 12.550 3.627 1.00 0.00 H new ATOM 0 HE3 MET A 37 -13.373 12.336 4.030 1.00 0.00 H new ATOM 503 N SER A 38 -10.676 15.954 9.777 1.00 0.00 N ATOM 504 CA SER A 38 -10.657 16.742 11.003 1.00 0.00 C ATOM 505 C SER A 38 -9.567 17.808 10.947 1.00 0.00 C ATOM 506 O SER A 38 -9.809 18.976 11.248 1.00 0.00 O ATOM 507 CB SER A 38 -10.436 15.833 12.213 1.00 0.00 C ATOM 508 OG SER A 38 -11.039 16.376 13.376 1.00 0.00 O ATOM 0 H SER A 38 -10.627 14.946 9.923 1.00 0.00 H new ATOM 0 HA SER A 38 -11.622 17.240 11.102 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.852 14.846 12.011 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.367 15.700 12.382 1.00 0.00 H new ATOM 0 HG SER A 38 -10.885 15.776 14.135 1.00 0.00 H new ATOM 513 N ALA A 39 -8.365 17.396 10.558 1.00 0.00 N ATOM 514 CA ALA A 39 -7.237 18.314 10.460 1.00 0.00 C ATOM 515 C ALA A 39 -7.526 19.435 9.467 1.00 0.00 C ATOM 516 O ALA A 39 -6.938 20.513 9.546 1.00 0.00 O ATOM 517 CB ALA A 39 -5.977 17.563 10.058 1.00 0.00 C ATOM 0 H ALA A 39 -8.147 16.432 10.305 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.081 18.763 11.441 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.143 18.262 9.989 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.752 16.803 10.806 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.131 17.085 9.090 1.00 0.00 H new ATOM 523 N GLN A 40 -8.435 19.171 8.534 1.00 0.00 N ATOM 524 CA GLN A 40 -8.800 20.159 7.524 1.00 0.00 C ATOM 525 C GLN A 40 -9.784 21.177 8.090 1.00 0.00 C ATOM 526 O GLN A 40 -10.115 22.166 7.435 1.00 0.00 O ATOM 527 CB GLN A 40 -9.409 19.469 6.303 1.00 0.00 C ATOM 528 CG GLN A 40 -9.431 20.341 5.058 1.00 0.00 C ATOM 529 CD GLN A 40 -10.838 20.672 4.601 1.00 0.00 C ATOM 530 OE1 GLN A 40 -11.763 19.878 4.777 1.00 0.00 O ATOM 531 NE2 GLN A 40 -11.008 21.850 4.011 1.00 0.00 N ATOM 0 H GLN A 40 -8.932 18.283 8.456 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.894 20.685 7.222 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.845 18.561 6.090 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.428 19.163 6.540 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.891 21.267 5.258 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.902 19.831 4.253 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.213 22.477 3.886 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.933 22.127 3.683 1.00 0.00 H new ATOM 538 N ALA A 41 -10.248 20.930 9.311 1.00 0.00 N ATOM 539 CA ALA A 41 -11.192 21.826 9.965 1.00 0.00 C ATOM 540 C ALA A 41 -10.589 23.213 10.159 1.00 0.00 C ATOM 541 O ALA A 41 -11.307 24.192 10.367 1.00 0.00 O ATOM 542 CB ALA A 41 -11.629 21.248 11.303 1.00 0.00 C ATOM 0 H ALA A 41 -9.985 20.116 9.867 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.066 21.925 9.321 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.334 21.928 11.780 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.108 20.282 11.143 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.758 21.119 11.945 1.00 0.00 H new ATOM 548 N PHE A 42 -9.264 23.292 10.091 1.00 0.00 N ATOM 549 CA PHE A 42 -8.563 24.559 10.260 1.00 0.00 C ATOM 550 C PHE A 42 -9.142 25.628 9.338 1.00 0.00 C ATOM 551 O PHE A 42 -9.140 26.815 9.667 1.00 0.00 O ATOM 552 CB PHE A 42 -7.070 24.381 9.979 1.00 0.00 C ATOM 553 CG PHE A 42 -6.743 24.279 8.516 1.00 0.00 C ATOM 554 CD1 PHE A 42 -7.078 23.145 7.796 1.00 0.00 C ATOM 555 CD2 PHE A 42 -6.101 25.319 7.862 1.00 0.00 C ATOM 556 CE1 PHE A 42 -6.778 23.047 6.451 1.00 0.00 C ATOM 557 CE2 PHE A 42 -5.799 25.227 6.517 1.00 0.00 C ATOM 558 CZ PHE A 42 -6.138 24.091 5.809 1.00 0.00 C ATOM 0 H PHE A 42 -8.654 22.493 9.920 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.695 24.884 11.292 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.525 25.222 10.407 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.718 23.482 10.485 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.580 22.327 8.292 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.834 26.211 8.410 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.043 22.156 5.902 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.298 26.044 6.019 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.904 24.018 4.757 1.00 0.00 H new ATOM 567 N HIS A 43 -9.637 25.199 8.182 1.00 0.00 N ATOM 568 CA HIS A 43 -10.221 26.119 7.211 1.00 0.00 C ATOM 569 C HIS A 43 -10.984 25.358 6.132 1.00 0.00 C ATOM 570 O HIS A 43 -10.394 24.611 5.352 1.00 0.00 O ATOM 571 CB HIS A 43 -9.129 26.978 6.572 1.00 0.00 C ATOM 572 CG HIS A 43 -9.343 28.449 6.751 1.00 0.00 C ATOM 573 ND1 HIS A 43 -10.535 29.078 6.460 1.00 0.00 N ATOM 574 CD2 HIS A 43 -8.509 29.417 7.197 1.00 0.00 C ATOM 575 CE1 HIS A 43 -10.425 30.369 6.717 1.00 0.00 C ATOM 576 NE2 HIS A 43 -9.204 30.601 7.165 1.00 0.00 N ATOM 0 H HIS A 43 -9.646 24.221 7.894 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.922 26.767 7.737 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.165 26.704 7.001 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.078 26.754 5.507 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -7.487 29.283 7.518 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -11.201 31.109 6.584 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -8.837 31.512 7.442 1.00 0.00 H new ATOM 583 N GLN A 44 -12.298 25.553 6.094 1.00 0.00 N ATOM 584 CA GLN A 44 -13.141 24.884 5.111 1.00 0.00 C ATOM 585 C GLN A 44 -13.764 25.891 4.150 1.00 0.00 C ATOM 586 O GLN A 44 -14.542 26.753 4.557 1.00 0.00 O ATOM 587 CB GLN A 44 -14.240 24.083 5.811 1.00 0.00 C ATOM 588 CG GLN A 44 -14.295 22.623 5.386 1.00 0.00 C ATOM 589 CD GLN A 44 -15.526 21.909 5.909 1.00 0.00 C ATOM 590 OE1 GLN A 44 -15.899 22.061 7.073 1.00 0.00 O ATOM 591 NE2 GLN A 44 -16.165 21.125 5.049 1.00 0.00 N ATOM 0 H GLN A 44 -12.802 26.169 6.732 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.513 24.203 4.537 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -14.084 24.133 6.889 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -15.204 24.549 5.606 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -14.281 22.565 4.298 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.402 22.110 5.745 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -15.821 21.028 4.094 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -17.000 20.619 5.343 1.00 0.00 H new ATOM 598 N GLY A 45 -13.413 25.778 2.872 1.00 0.00 N ATOM 599 CA GLY A 45 -13.947 26.686 1.874 1.00 0.00 C ATOM 600 C GLY A 45 -13.347 26.455 0.500 1.00 0.00 C ATOM 601 O GLY A 45 -13.528 25.390 -0.090 1.00 0.00 O ATOM 0 H GLY A 45 -12.769 25.074 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -15.029 26.566 1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.756 27.714 2.183 1.00 0.00 H new ATOM 605 N GLU A 46 -12.634 27.454 -0.009 1.00 0.00 N ATOM 606 CA GLU A 46 -12.010 27.354 -1.322 1.00 0.00 C ATOM 607 C GLU A 46 -10.555 27.814 -1.269 1.00 0.00 C ATOM 608 O GLU A 46 -10.187 28.816 -1.883 1.00 0.00 O ATOM 609 CB GLU A 46 -12.783 28.189 -2.345 1.00 0.00 C ATOM 610 CG GLU A 46 -14.289 28.009 -2.262 1.00 0.00 C ATOM 611 CD GLU A 46 -14.928 27.814 -3.625 1.00 0.00 C ATOM 612 OE1 GLU A 46 -14.645 28.621 -4.534 1.00 0.00 O ATOM 613 OE2 GLU A 46 -15.711 26.854 -3.780 1.00 0.00 O ATOM 0 H GLU A 46 -12.474 28.341 0.468 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.032 26.308 -1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.543 29.242 -2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.448 27.922 -3.347 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -14.514 27.148 -1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.730 28.881 -1.779 1.00 0.00 H new ATOM 618 N SER A 47 -9.734 27.074 -0.532 1.00 0.00 N ATOM 619 CA SER A 47 -8.320 27.408 -0.395 1.00 0.00 C ATOM 620 C SER A 47 -7.511 26.183 0.022 1.00 0.00 C ATOM 621 O SER A 47 -6.732 26.235 0.974 1.00 0.00 O ATOM 622 CB SER A 47 -8.136 28.528 0.631 1.00 0.00 C ATOM 623 OG SER A 47 -8.569 29.772 0.109 1.00 0.00 O ATOM 0 H SER A 47 -10.022 26.240 -0.021 1.00 0.00 H new ATOM 0 HA SER A 47 -7.957 27.750 -1.364 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.698 28.294 1.535 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.086 28.595 0.917 1.00 0.00 H new ATOM 0 HG SER A 47 -9.087 29.621 -0.709 1.00 0.00 H new ATOM 628 N SER A 48 -7.702 25.082 -0.697 1.00 0.00 N ATOM 629 CA SER A 48 -6.994 23.842 -0.400 1.00 0.00 C ATOM 630 C SER A 48 -6.442 23.214 -1.676 1.00 0.00 C ATOM 631 O SER A 48 -6.932 22.183 -2.135 1.00 0.00 O ATOM 632 CB SER A 48 -7.925 22.856 0.307 1.00 0.00 C ATOM 633 OG SER A 48 -8.778 23.523 1.220 1.00 0.00 O ATOM 0 H SER A 48 -8.341 25.023 -1.490 1.00 0.00 H new ATOM 0 HA SER A 48 -6.158 24.077 0.259 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.524 22.323 -0.432 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.334 22.109 0.837 1.00 0.00 H new ATOM 0 HG SER A 48 -9.364 22.870 1.657 1.00 0.00 H new ATOM 638 N ALA A 49 -5.417 23.842 -2.242 1.00 0.00 N ATOM 639 CA ALA A 49 -4.795 23.344 -3.464 1.00 0.00 C ATOM 640 C ALA A 49 -3.775 22.254 -3.155 1.00 0.00 C ATOM 641 O ALA A 49 -3.880 21.134 -3.653 1.00 0.00 O ATOM 642 CB ALA A 49 -4.137 24.487 -4.224 1.00 0.00 C ATOM 0 H ALA A 49 -4.999 24.697 -1.874 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.575 22.908 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.677 24.102 -5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.889 25.231 -4.485 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.373 24.948 -3.598 1.00 0.00 H new ATOM 648 N ALA A 50 -2.789 22.590 -2.330 1.00 0.00 N ATOM 649 CA ALA A 50 -1.749 21.639 -1.955 1.00 0.00 C ATOM 650 C ALA A 50 -2.337 20.458 -1.190 1.00 0.00 C ATOM 651 O ALA A 50 -1.847 19.332 -1.292 1.00 0.00 O ATOM 652 CB ALA A 50 -0.678 22.328 -1.123 1.00 0.00 C ATOM 0 H ALA A 50 -2.688 23.513 -1.908 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.293 21.257 -2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.092 21.606 -0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.230 23.135 -1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.128 22.738 -0.219 1.00 0.00 H new ATOM 658 N PHE A 51 -3.389 20.721 -0.423 1.00 0.00 N ATOM 659 CA PHE A 51 -4.044 19.680 0.362 1.00 0.00 C ATOM 660 C PHE A 51 -4.853 18.750 -0.537 1.00 0.00 C ATOM 661 O PHE A 51 -4.950 17.550 -0.280 1.00 0.00 O ATOM 662 CB PHE A 51 -4.953 20.305 1.421 1.00 0.00 C ATOM 663 CG PHE A 51 -5.804 19.301 2.148 1.00 0.00 C ATOM 664 CD1 PHE A 51 -5.310 18.627 3.253 1.00 0.00 C ATOM 665 CD2 PHE A 51 -7.096 19.036 1.728 1.00 0.00 C ATOM 666 CE1 PHE A 51 -6.089 17.703 3.923 1.00 0.00 C ATOM 667 CE2 PHE A 51 -7.882 18.113 2.394 1.00 0.00 C ATOM 668 CZ PHE A 51 -7.378 17.448 3.494 1.00 0.00 C ATOM 0 H PHE A 51 -3.807 21.646 -0.328 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.271 19.094 0.859 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.339 20.841 2.145 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.600 21.041 0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.305 18.826 3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.495 19.556 0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.691 17.181 4.781 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.888 17.913 2.054 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.990 16.729 4.019 1.00 0.00 H new ATOM 677 N GLN A 52 -5.436 19.315 -1.591 1.00 0.00 N ATOM 678 CA GLN A 52 -6.239 18.537 -2.527 1.00 0.00 C ATOM 679 C GLN A 52 -5.365 17.578 -3.328 1.00 0.00 C ATOM 680 O GLN A 52 -5.618 16.374 -3.364 1.00 0.00 O ATOM 681 CB GLN A 52 -6.998 19.466 -3.474 1.00 0.00 C ATOM 682 CG GLN A 52 -7.654 18.744 -4.640 1.00 0.00 C ATOM 683 CD GLN A 52 -9.115 19.114 -4.808 1.00 0.00 C ATOM 684 OE1 GLN A 52 -9.558 20.165 -4.345 1.00 0.00 O ATOM 685 NE2 GLN A 52 -9.871 18.250 -5.474 1.00 0.00 N ATOM 0 H GLN A 52 -5.367 20.307 -1.817 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.956 17.951 -1.952 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.764 19.999 -2.910 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.309 20.216 -3.863 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.116 18.980 -5.558 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.571 17.668 -4.489 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.461 17.391 -5.841 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.862 18.445 -5.619 1.00 0.00 H new ATOM 692 N ALA A 53 -4.336 18.119 -3.970 1.00 0.00 N ATOM 693 CA ALA A 53 -3.424 17.312 -4.770 1.00 0.00 C ATOM 694 C ALA A 53 -2.897 16.124 -3.971 1.00 0.00 C ATOM 695 O ALA A 53 -2.885 14.994 -4.457 1.00 0.00 O ATOM 696 CB ALA A 53 -2.269 18.164 -5.275 1.00 0.00 C ATOM 0 H ALA A 53 -4.113 19.114 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.977 16.925 -5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.596 17.548 -5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.657 18.976 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.725 18.579 -4.427 1.00 0.00 H new ATOM 702 N ALA A 54 -2.463 16.389 -2.743 1.00 0.00 N ATOM 703 CA ALA A 54 -1.937 15.341 -1.877 1.00 0.00 C ATOM 704 C ALA A 54 -3.014 14.314 -1.542 1.00 0.00 C ATOM 705 O ALA A 54 -2.739 13.116 -1.463 1.00 0.00 O ATOM 706 CB ALA A 54 -1.368 15.946 -0.602 1.00 0.00 C ATOM 0 H ALA A 54 -2.465 17.320 -2.326 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.137 14.829 -2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.979 15.152 0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.563 16.636 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.154 16.484 -0.072 1.00 0.00 H new ATOM 712 N HIS A 55 -4.239 14.790 -1.344 1.00 0.00 N ATOM 713 CA HIS A 55 -5.357 13.912 -1.017 1.00 0.00 C ATOM 714 C HIS A 55 -5.721 13.030 -2.208 1.00 0.00 C ATOM 715 O HIS A 55 -6.019 11.847 -2.047 1.00 0.00 O ATOM 716 CB HIS A 55 -6.572 14.737 -0.590 1.00 0.00 C ATOM 717 CG HIS A 55 -7.768 13.904 -0.242 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.579 13.152 -1.022 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -8.253 13.783 1.043 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.528 12.594 -0.202 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -9.310 12.989 1.040 1.00 0.00 N flip ATOM 0 H HIS A 55 -4.483 15.779 -1.404 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.053 13.270 -0.190 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.302 15.348 0.271 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.838 15.421 -1.396 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.835 14.262 1.916 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.324 11.938 -0.521 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.862 12.726 1.856 1.00 0.00 H new ATOM 728 N ALA A 56 -5.693 13.613 -3.402 1.00 0.00 N ATOM 729 CA ALA A 56 -6.018 12.879 -4.618 1.00 0.00 C ATOM 730 C ALA A 56 -4.909 11.898 -4.981 1.00 0.00 C ATOM 731 O ALA A 56 -5.165 10.845 -5.565 1.00 0.00 O ATOM 732 CB ALA A 56 -6.268 13.846 -5.767 1.00 0.00 C ATOM 0 H ALA A 56 -5.448 14.592 -3.553 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.927 12.306 -4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.510 13.284 -6.669 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.100 14.503 -5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.373 14.444 -5.941 1.00 0.00 H new ATOM 738 N ARG A 57 -3.676 12.251 -4.632 1.00 0.00 N ATOM 739 CA ARG A 57 -2.527 11.403 -4.922 1.00 0.00 C ATOM 740 C ARG A 57 -2.596 10.102 -4.127 1.00 0.00 C ATOM 741 O ARG A 57 -2.185 9.045 -4.606 1.00 0.00 O ATOM 742 CB ARG A 57 -1.226 12.141 -4.602 1.00 0.00 C ATOM 743 CG ARG A 57 -0.725 13.013 -5.741 1.00 0.00 C ATOM 744 CD ARG A 57 0.650 13.589 -5.438 1.00 0.00 C ATOM 745 NE ARG A 57 0.870 14.866 -6.112 1.00 0.00 N ATOM 746 CZ ARG A 57 1.877 15.683 -5.826 1.00 0.00 C ATOM 747 NH1 ARG A 57 2.752 15.359 -4.884 1.00 0.00 N ATOM 748 NH2 ARG A 57 2.010 16.828 -6.484 1.00 0.00 N ATOM 0 H ARG A 57 -3.448 13.119 -4.148 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.546 11.161 -5.985 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.378 12.763 -3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.457 11.411 -4.349 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.681 12.426 -6.658 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.430 13.825 -5.916 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.757 13.724 -4.362 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.417 12.879 -5.748 1.00 0.00 H new ATOM 0 HE ARG A 57 0.215 15.145 -6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.653 14.480 -4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.524 15.989 -4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.339 17.080 -7.209 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.783 17.456 -6.264 1.00 0.00 H new ATOM 759 N PHE A 58 -3.117 10.189 -2.907 1.00 0.00 N ATOM 760 CA PHE A 58 -3.239 9.020 -2.043 1.00 0.00 C ATOM 761 C PHE A 58 -4.292 8.055 -2.579 1.00 0.00 C ATOM 762 O PHE A 58 -4.017 6.875 -2.796 1.00 0.00 O ATOM 763 CB PHE A 58 -3.599 9.447 -0.620 1.00 0.00 C ATOM 764 CG PHE A 58 -3.952 8.297 0.280 1.00 0.00 C ATOM 765 CD1 PHE A 58 -2.959 7.547 0.889 1.00 0.00 C ATOM 766 CD2 PHE A 58 -5.276 7.967 0.518 1.00 0.00 C ATOM 767 CE1 PHE A 58 -3.279 6.488 1.718 1.00 0.00 C ATOM 768 CE2 PHE A 58 -5.603 6.910 1.346 1.00 0.00 C ATOM 769 CZ PHE A 58 -4.604 6.169 1.946 1.00 0.00 C ATOM 0 H PHE A 58 -3.461 11.056 -2.495 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.277 8.508 -2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.758 9.991 -0.189 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.440 10.139 -0.659 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.922 7.793 0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.062 8.542 0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.495 5.911 2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.639 6.664 1.524 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.858 5.342 2.592 1.00 0.00 H new ATOM 778 N VAL A 59 -5.501 8.565 -2.790 1.00 0.00 N ATOM 779 CA VAL A 59 -6.597 7.750 -3.300 1.00 0.00 C ATOM 780 C VAL A 59 -6.219 7.085 -4.619 1.00 0.00 C ATOM 781 O VAL A 59 -6.667 5.978 -4.918 1.00 0.00 O ATOM 782 CB VAL A 59 -7.872 8.590 -3.509 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.556 9.854 -4.294 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.941 7.769 -4.213 1.00 0.00 C ATOM 0 H VAL A 59 -5.746 9.540 -2.615 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.795 6.982 -2.552 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.257 8.884 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.468 10.434 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.826 10.450 -3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.147 9.585 -5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.834 8.378 -4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.569 7.443 -5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.187 6.897 -3.608 1.00 0.00 H new ATOM 794 N ALA A 60 -5.390 7.766 -5.403 1.00 0.00 N ATOM 795 CA ALA A 60 -4.949 7.239 -6.689 1.00 0.00 C ATOM 796 C ALA A 60 -4.061 6.014 -6.505 1.00 0.00 C ATOM 797 O ALA A 60 -4.154 5.049 -7.263 1.00 0.00 O ATOM 798 CB ALA A 60 -4.212 8.315 -7.474 1.00 0.00 C ATOM 0 H ALA A 60 -5.010 8.684 -5.170 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.831 6.934 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.888 7.909 -8.432 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.878 9.161 -7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.342 8.647 -6.908 1.00 0.00 H new ATOM 804 N ALA A 61 -3.200 6.059 -5.493 1.00 0.00 N ATOM 805 CA ALA A 61 -2.296 4.951 -5.209 1.00 0.00 C ATOM 806 C ALA A 61 -3.016 3.833 -4.463 1.00 0.00 C ATOM 807 O ALA A 61 -2.805 2.652 -4.741 1.00 0.00 O ATOM 808 CB ALA A 61 -1.099 5.439 -4.406 1.00 0.00 C ATOM 0 H ALA A 61 -3.110 6.851 -4.856 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.943 4.550 -6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.432 4.601 -4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.563 6.198 -4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.443 5.868 -3.465 1.00 0.00 H new ATOM 814 N ALA A 62 -3.866 4.212 -3.514 1.00 0.00 N ATOM 815 CA ALA A 62 -4.618 3.241 -2.728 1.00 0.00 C ATOM 816 C ALA A 62 -5.340 2.247 -3.631 1.00 0.00 C ATOM 817 O ALA A 62 -5.531 1.088 -3.265 1.00 0.00 O ATOM 818 CB ALA A 62 -5.611 3.952 -1.821 1.00 0.00 C ATOM 0 H ALA A 62 -4.051 5.185 -3.271 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.913 2.685 -2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.165 3.215 -1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.074 4.618 -1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.306 4.533 -2.427 1.00 0.00 H new ATOM 824 N ALA A 63 -5.740 2.709 -4.811 1.00 0.00 N ATOM 825 CA ALA A 63 -6.440 1.859 -5.767 1.00 0.00 C ATOM 826 C ALA A 63 -5.599 0.643 -6.140 1.00 0.00 C ATOM 827 O ALA A 63 -6.129 -0.438 -6.396 1.00 0.00 O ATOM 828 CB ALA A 63 -6.805 2.653 -7.011 1.00 0.00 C ATOM 0 H ALA A 63 -5.591 3.667 -5.128 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.356 1.503 -5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.327 2.006 -7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.453 3.485 -6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.898 3.038 -7.476 1.00 0.00 H new ATOM 834 N LYS A 64 -4.283 0.828 -6.172 1.00 0.00 N ATOM 835 CA LYS A 64 -3.366 -0.254 -6.514 1.00 0.00 C ATOM 836 C LYS A 64 -3.402 -1.351 -5.457 1.00 0.00 C ATOM 837 O LYS A 64 -3.602 -2.525 -5.771 1.00 0.00 O ATOM 838 CB LYS A 64 -1.941 0.285 -6.658 1.00 0.00 C ATOM 839 CG LYS A 64 -1.266 -0.122 -7.956 1.00 0.00 C ATOM 840 CD LYS A 64 -1.361 -1.621 -8.188 1.00 0.00 C ATOM 841 CE LYS A 64 -0.226 -2.121 -9.069 1.00 0.00 C ATOM 842 NZ LYS A 64 -0.297 -1.551 -10.442 1.00 0.00 N ATOM 0 H LYS A 64 -3.828 1.717 -5.965 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.684 -0.681 -7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.965 1.373 -6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.341 -0.069 -5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.729 0.406 -8.789 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.218 0.178 -7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.336 -2.141 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.317 -1.858 -8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.729 -1.857 -8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.262 -3.209 -9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.463 -1.955 -11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.218 -1.781 -10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.186 -0.518 -10.395 1.00 0.00 H new ATOM 852 N VAL A 65 -3.207 -0.964 -4.201 1.00 0.00 N ATOM 853 CA VAL A 65 -3.219 -1.915 -3.095 1.00 0.00 C ATOM 854 C VAL A 65 -4.534 -2.685 -3.048 1.00 0.00 C ATOM 855 O VAL A 65 -4.547 -3.900 -2.854 1.00 0.00 O ATOM 856 CB VAL A 65 -3.000 -1.209 -1.744 1.00 0.00 C ATOM 857 CG1 VAL A 65 -2.843 -2.231 -0.628 1.00 0.00 C ATOM 858 CG2 VAL A 65 -1.790 -0.291 -1.812 1.00 0.00 C ATOM 0 H VAL A 65 -3.039 0.003 -3.923 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.399 -2.612 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.877 -0.599 -1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.689 -1.714 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.743 -2.843 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.984 -2.869 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.651 0.199 -0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.902 -0.876 -2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.948 0.463 -2.583 1.00 0.00 H new ATOM 868 N ASN A 66 -5.639 -1.970 -3.228 1.00 0.00 N ATOM 869 CA ASN A 66 -6.960 -2.586 -3.205 1.00 0.00 C ATOM 870 C ASN A 66 -7.100 -3.614 -4.324 1.00 0.00 C ATOM 871 O ASN A 66 -7.590 -4.722 -4.107 1.00 0.00 O ATOM 872 CB ASN A 66 -8.047 -1.517 -3.340 1.00 0.00 C ATOM 873 CG ASN A 66 -9.321 -2.062 -3.957 1.00 0.00 C ATOM 874 OD1 ASN A 66 -9.393 -2.037 -5.282 1.00 0.00 O flip ATOM 875 ND2 ASN A 66 -10.229 -2.500 -3.249 1.00 0.00 N flip ATOM 0 H ASN A 66 -5.646 -0.963 -3.391 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.079 -3.097 -2.249 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.271 -1.104 -2.356 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.672 -0.697 -3.952 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.130 -2.499 -2.234 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.080 -2.863 -3.678 1.00 0.00 H new ATOM 881 N THR A 67 -6.668 -3.237 -5.523 1.00 0.00 N ATOM 882 CA THR A 67 -6.745 -4.125 -6.677 1.00 0.00 C ATOM 883 C THR A 67 -5.895 -5.373 -6.469 1.00 0.00 C ATOM 884 O THR A 67 -6.378 -6.497 -6.617 1.00 0.00 O ATOM 885 CB THR A 67 -6.285 -3.414 -7.965 1.00 0.00 C ATOM 886 OG1 THR A 67 -7.133 -2.293 -8.234 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.307 -4.370 -9.147 1.00 0.00 C ATOM 0 H THR A 67 -6.261 -2.323 -5.721 1.00 0.00 H new ATOM 0 HA THR A 67 -7.791 -4.414 -6.783 1.00 0.00 H new ATOM 0 HB THR A 67 -5.262 -3.067 -7.818 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.899 -1.555 -7.634 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.979 -3.846 -10.045 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.638 -5.207 -8.950 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.321 -4.743 -9.295 1.00 0.00 H new ATOM 895 N LEU A 68 -4.629 -5.171 -6.122 1.00 0.00 N ATOM 896 CA LEU A 68 -3.712 -6.281 -5.891 1.00 0.00 C ATOM 897 C LEU A 68 -4.174 -7.134 -4.714 1.00 0.00 C ATOM 898 O LEU A 68 -3.992 -8.352 -4.708 1.00 0.00 O ATOM 899 CB LEU A 68 -2.299 -5.755 -5.631 1.00 0.00 C ATOM 900 CG LEU A 68 -1.692 -4.886 -6.734 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.342 -4.337 -6.298 1.00 0.00 C ATOM 902 CD2 LEU A 68 -1.556 -5.680 -8.024 1.00 0.00 C ATOM 0 H LEU A 68 -4.214 -4.248 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.703 -6.904 -6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.312 -5.177 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.641 -6.608 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.361 -4.045 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.075 -3.721 -7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.468 -3.732 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.336 -5.164 -6.086 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.123 -5.046 -8.797 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.909 -6.540 -7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.539 -6.023 -8.345 1.00 0.00 H new ATOM 913 N LEU A 69 -4.774 -6.487 -3.722 1.00 0.00 N ATOM 914 CA LEU A 69 -5.266 -7.186 -2.540 1.00 0.00 C ATOM 915 C LEU A 69 -6.351 -8.190 -2.913 1.00 0.00 C ATOM 916 O LEU A 69 -6.396 -9.299 -2.380 1.00 0.00 O ATOM 917 CB LEU A 69 -5.810 -6.185 -1.519 1.00 0.00 C ATOM 918 CG LEU A 69 -6.436 -6.783 -0.260 1.00 0.00 C ATOM 919 CD1 LEU A 69 -5.362 -7.365 0.645 1.00 0.00 C ATOM 920 CD2 LEU A 69 -7.249 -5.733 0.482 1.00 0.00 C ATOM 0 H LEU A 69 -4.932 -5.479 -3.712 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.431 -7.729 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.996 -5.526 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.558 -5.564 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.107 -7.589 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.827 -7.786 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.823 -8.148 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.666 -6.578 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.687 -6.177 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.600 -4.906 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.043 -5.363 -0.166 1.00 0.00 H new ATOM 931 N ASP A 70 -7.223 -7.796 -3.835 1.00 0.00 N ATOM 932 CA ASP A 70 -8.307 -8.663 -4.283 1.00 0.00 C ATOM 933 C ASP A 70 -7.805 -9.674 -5.309 1.00 0.00 C ATOM 934 O ASP A 70 -8.177 -10.847 -5.274 1.00 0.00 O ATOM 935 CB ASP A 70 -9.441 -7.829 -4.881 1.00 0.00 C ATOM 936 CG ASP A 70 -10.807 -8.298 -4.421 1.00 0.00 C ATOM 937 OD1 ASP A 70 -10.989 -9.521 -4.252 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.697 -7.440 -4.233 1.00 0.00 O ATOM 0 H ASP A 70 -7.200 -6.882 -4.287 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.685 -9.208 -3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.306 -6.784 -4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.390 -7.878 -5.969 1.00 0.00 H new ATOM 942 N VAL A 71 -6.959 -9.210 -6.224 1.00 0.00 N ATOM 943 CA VAL A 71 -6.406 -10.073 -7.260 1.00 0.00 C ATOM 944 C VAL A 71 -5.736 -11.301 -6.654 1.00 0.00 C ATOM 945 O VAL A 71 -5.922 -12.420 -7.130 1.00 0.00 O ATOM 946 CB VAL A 71 -5.383 -9.320 -8.132 1.00 0.00 C ATOM 947 CG1 VAL A 71 -4.667 -10.282 -9.067 1.00 0.00 C ATOM 948 CG2 VAL A 71 -6.066 -8.209 -8.915 1.00 0.00 C ATOM 0 H VAL A 71 -6.642 -8.241 -6.268 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.241 -10.390 -7.885 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.638 -8.866 -7.478 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.949 -9.732 -9.675 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.143 -11.037 -8.481 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.395 -10.768 -9.717 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.329 -7.688 -9.525 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.833 -8.637 -9.560 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.526 -7.505 -8.222 1.00 0.00 H new ATOM 958 N ALA A 72 -4.955 -11.082 -5.601 1.00 0.00 N ATOM 959 CA ALA A 72 -4.259 -12.172 -4.927 1.00 0.00 C ATOM 960 C ALA A 72 -5.224 -13.293 -4.555 1.00 0.00 C ATOM 961 O ALA A 72 -4.991 -14.457 -4.881 1.00 0.00 O ATOM 962 CB ALA A 72 -3.545 -11.654 -3.688 1.00 0.00 C ATOM 0 H ALA A 72 -4.788 -10.161 -5.196 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.519 -12.580 -5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.029 -12.478 -3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.820 -10.893 -3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.273 -11.219 -3.003 1.00 0.00 H new ATOM 968 N GLN A 73 -6.305 -12.935 -3.870 1.00 0.00 N ATOM 969 CA GLN A 73 -7.303 -13.911 -3.453 1.00 0.00 C ATOM 970 C GLN A 73 -7.903 -14.627 -4.659 1.00 0.00 C ATOM 971 O GLN A 73 -8.110 -15.840 -4.634 1.00 0.00 O ATOM 972 CB GLN A 73 -8.410 -13.230 -2.648 1.00 0.00 C ATOM 973 CG GLN A 73 -7.917 -12.578 -1.366 1.00 0.00 C ATOM 974 CD GLN A 73 -9.047 -12.023 -0.521 1.00 0.00 C ATOM 975 OE1 GLN A 73 -10.204 -12.012 -0.942 1.00 0.00 O ATOM 976 NE2 GLN A 73 -8.716 -11.559 0.678 1.00 0.00 N ATOM 0 H GLN A 73 -6.512 -11.976 -3.592 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.808 -14.650 -2.823 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.887 -12.473 -3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.174 -13.967 -2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.358 -13.310 -0.783 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.226 -11.773 -1.615 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.744 -11.588 0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.434 -11.173 1.292 1.00 0.00 H new ATOM 983 N ALA A 74 -8.178 -13.867 -5.715 1.00 0.00 N ATOM 984 CA ALA A 74 -8.752 -14.429 -6.931 1.00 0.00 C ATOM 985 C ALA A 74 -7.754 -15.336 -7.641 1.00 0.00 C ATOM 986 O ALA A 74 -8.140 -16.259 -8.356 1.00 0.00 O ATOM 987 CB ALA A 74 -9.210 -13.316 -7.861 1.00 0.00 C ATOM 0 H ALA A 74 -8.012 -12.861 -5.752 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.615 -15.032 -6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.637 -13.750 -8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.964 -12.710 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.358 -12.690 -8.126 1.00 0.00 H new ATOM 993 N ASN A 75 -6.469 -15.066 -7.439 1.00 0.00 N ATOM 994 CA ASN A 75 -5.413 -15.858 -8.062 1.00 0.00 C ATOM 995 C ASN A 75 -5.156 -17.138 -7.272 1.00 0.00 C ATOM 996 O ASN A 75 -5.097 -18.230 -7.840 1.00 0.00 O ATOM 997 CB ASN A 75 -4.124 -15.040 -8.162 1.00 0.00 C ATOM 998 CG ASN A 75 -4.055 -14.225 -9.440 1.00 0.00 C ATOM 999 OD1 ASN A 75 -3.154 -14.410 -10.258 1.00 0.00 O ATOM 1000 ND2 ASN A 75 -5.010 -13.320 -9.616 1.00 0.00 N ATOM 0 H ASN A 75 -6.133 -14.305 -6.849 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.741 -16.130 -9.065 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.053 -14.372 -7.304 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.266 -15.711 -8.115 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.017 -12.743 -10.457 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.737 -13.202 -8.910 1.00 0.00 H new ATOM 1006 N LEU A 76 -5.007 -16.997 -5.960 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.757 -18.142 -5.091 1.00 0.00 C ATOM 1008 C LEU A 76 -6.003 -19.012 -4.965 1.00 0.00 C ATOM 1009 O LEU A 76 -5.910 -20.231 -4.826 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.309 -17.669 -3.707 1.00 0.00 C ATOM 1011 CG LEU A 76 -2.851 -17.224 -3.588 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -2.739 -15.714 -3.734 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -2.261 -17.678 -2.261 1.00 0.00 C ATOM 0 H LEU A 76 -5.055 -16.101 -5.474 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.963 -18.740 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.947 -16.838 -3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.480 -18.477 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.283 -17.689 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.694 -15.417 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.121 -15.413 -4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.321 -15.229 -2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.223 -17.352 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.832 -17.242 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.305 -18.765 -2.196 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.170 -18.376 -5.016 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.419 -19.108 -4.908 1.00 0.00 C ATOM 1026 C GLY A 77 -8.748 -19.485 -3.478 1.00 0.00 C ATOM 1027 O GLY A 77 -9.799 -19.112 -2.958 1.00 0.00 O ATOM 0 H GLY A 77 -7.273 -17.368 -5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.228 -18.502 -5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.360 -20.012 -5.514 1.00 0.00 H new ATOM 1031 N GLU A 78 -7.848 -20.227 -2.840 1.00 0.00 N ATOM 1032 CA GLU A 78 -8.050 -20.656 -1.461 1.00 0.00 C ATOM 1033 C GLU A 78 -8.393 -19.468 -0.566 1.00 0.00 C ATOM 1034 O GLU A 78 -9.177 -19.591 0.374 1.00 0.00 O ATOM 1035 CB GLU A 78 -6.800 -21.362 -0.933 1.00 0.00 C ATOM 1036 CG GLU A 78 -7.093 -22.681 -0.237 1.00 0.00 C ATOM 1037 CD GLU A 78 -5.995 -23.706 -0.443 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -4.865 -23.304 -0.791 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -6.266 -24.910 -0.257 1.00 0.00 O ATOM 0 H GLU A 78 -6.972 -20.543 -3.256 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.886 -21.355 -1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.117 -21.543 -1.763 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.286 -20.700 -0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.223 -22.503 0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.035 -23.083 -0.610 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.797 -18.318 -0.866 1.00 0.00 N ATOM 1045 CA ALA A 79 -8.039 -17.108 -0.092 1.00 0.00 C ATOM 1046 C ALA A 79 -9.513 -16.720 -0.125 1.00 0.00 C ATOM 1047 O ALA A 79 -10.145 -16.553 0.918 1.00 0.00 O ATOM 1048 CB ALA A 79 -7.178 -15.967 -0.613 1.00 0.00 C ATOM 0 H ALA A 79 -7.143 -18.200 -1.640 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.767 -17.309 0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.369 -15.069 -0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.126 -16.238 -0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.422 -15.775 -1.658 1.00 0.00 H new ATOM 1054 N ALA A 80 -10.055 -16.577 -1.330 1.00 0.00 N ATOM 1055 CA ALA A 80 -11.456 -16.210 -1.499 1.00 0.00 C ATOM 1056 C ALA A 80 -12.238 -17.328 -2.181 1.00 0.00 C ATOM 1057 O ALA A 80 -13.005 -18.042 -1.537 1.00 0.00 O ATOM 1058 CB ALA A 80 -11.570 -14.920 -2.298 1.00 0.00 C ATOM 0 H ALA A 80 -9.545 -16.710 -2.204 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.887 -16.052 -0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.621 -14.657 -2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.053 -14.118 -1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -11.117 -15.059 -3.280 1.00 0.00 H new ATOM 1064 N GLY A 81 -12.039 -17.471 -3.487 1.00 0.00 N ATOM 1065 CA GLY A 81 -12.734 -18.503 -4.234 1.00 0.00 C ATOM 1066 C GLY A 81 -12.291 -18.570 -5.682 1.00 0.00 C ATOM 1067 O GLY A 81 -11.321 -17.918 -6.074 1.00 0.00 O ATOM 0 H GLY A 81 -11.409 -16.891 -4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.561 -19.469 -3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.807 -18.316 -4.194 1.00 0.00 H new ATOM 1071 N THR A 82 -13.000 -19.361 -6.481 1.00 0.00 N ATOM 1072 CA THR A 82 -12.672 -19.513 -7.893 1.00 0.00 C ATOM 1073 C THR A 82 -13.664 -18.758 -8.772 1.00 0.00 C ATOM 1074 O THR A 82 -14.704 -18.301 -8.298 1.00 0.00 O ATOM 1075 CB THR A 82 -12.659 -20.996 -8.310 1.00 0.00 C ATOM 1076 OG1 THR A 82 -12.125 -21.127 -9.633 1.00 0.00 O ATOM 1077 CG2 THR A 82 -14.061 -21.584 -8.264 1.00 0.00 C ATOM 0 H THR A 82 -13.805 -19.906 -6.174 1.00 0.00 H new ATOM 0 HA THR A 82 -11.675 -19.095 -8.033 1.00 0.00 H new ATOM 0 HB THR A 82 -12.030 -21.543 -7.608 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.118 -22.072 -9.891 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.026 -22.632 -8.563 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.454 -21.508 -7.250 1.00 0.00 H new ATOM 0 HG23 THR A 82 -14.709 -21.034 -8.946 1.00 0.00 H new ATOM 1085 N TYR A 83 -13.336 -18.633 -10.053 1.00 0.00 N ATOM 1086 CA TYR A 83 -14.198 -17.933 -10.997 1.00 0.00 C ATOM 1087 C TYR A 83 -13.844 -18.301 -12.435 1.00 0.00 C ATOM 1088 O TYR A 83 -12.782 -18.864 -12.700 1.00 0.00 O ATOM 1089 CB TYR A 83 -14.079 -16.419 -10.804 1.00 0.00 C ATOM 1090 CG TYR A 83 -12.784 -15.842 -11.330 1.00 0.00 C ATOM 1091 CD1 TYR A 83 -11.654 -15.771 -10.525 1.00 0.00 C ATOM 1092 CD2 TYR A 83 -12.692 -15.368 -12.633 1.00 0.00 C ATOM 1093 CE1 TYR A 83 -10.469 -15.243 -11.003 1.00 0.00 C ATOM 1094 CE2 TYR A 83 -11.512 -14.840 -13.119 1.00 0.00 C ATOM 1095 CZ TYR A 83 -10.404 -14.779 -12.301 1.00 0.00 C ATOM 1096 OH TYR A 83 -9.225 -14.254 -12.780 1.00 0.00 O ATOM 0 H TYR A 83 -12.479 -19.007 -10.461 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.227 -18.238 -10.805 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -14.915 -15.930 -11.305 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.165 -16.189 -9.742 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -11.702 -16.134 -9.509 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -13.558 -15.413 -13.277 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.599 -15.194 -10.364 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.458 -14.477 -14.135 1.00 0.00 H new ATOM 0 HH TYR A 83 -9.346 -13.974 -13.711 1.00 0.00 H new ATOM 1105 N VAL A 84 -14.743 -17.980 -13.359 1.00 0.00 N ATOM 1106 CA VAL A 84 -14.527 -18.275 -14.771 1.00 0.00 C ATOM 1107 C VAL A 84 -13.455 -17.369 -15.364 1.00 0.00 C ATOM 1108 O VAL A 84 -13.760 -16.328 -15.946 1.00 0.00 O ATOM 1109 CB VAL A 84 -15.826 -18.115 -15.583 1.00 0.00 C ATOM 1110 CG1 VAL A 84 -15.573 -18.398 -17.056 1.00 0.00 C ATOM 1111 CG2 VAL A 84 -16.912 -19.029 -15.035 1.00 0.00 C ATOM 0 H VAL A 84 -15.628 -17.516 -13.156 1.00 0.00 H new ATOM 0 HA VAL A 84 -14.196 -19.312 -14.831 1.00 0.00 H new ATOM 0 HB VAL A 84 -16.168 -17.084 -15.489 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.502 -18.280 -17.614 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -14.829 -17.699 -17.438 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -15.207 -19.418 -17.173 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -17.823 -18.903 -15.620 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -16.581 -20.066 -15.097 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -17.111 -18.774 -13.994 1.00 0.00 H new ATOM 1121 N ALA A 85 -12.197 -17.770 -15.213 1.00 0.00 N ATOM 1122 CA ALA A 85 -11.079 -16.996 -15.736 1.00 0.00 C ATOM 1123 C ALA A 85 -10.669 -17.488 -17.120 1.00 0.00 C ATOM 1124 O ALA A 85 -9.674 -18.197 -17.267 1.00 0.00 O ATOM 1125 CB ALA A 85 -9.898 -17.061 -14.780 1.00 0.00 C ATOM 0 H ALA A 85 -11.927 -18.628 -14.732 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.401 -15.959 -15.829 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.070 -16.478 -15.184 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.190 -16.653 -13.812 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.586 -18.098 -14.658 1.00 0.00 H new ATOM 1131 N ALA A 86 -11.444 -17.109 -18.131 1.00 0.00 N ATOM 1132 CA ALA A 86 -11.160 -17.511 -19.503 1.00 0.00 C ATOM 1133 C ALA A 86 -10.213 -16.526 -20.180 1.00 0.00 C ATOM 1134 O ALA A 86 -9.290 -16.925 -20.888 1.00 0.00 O ATOM 1135 CB ALA A 86 -12.453 -17.633 -20.296 1.00 0.00 C ATOM 0 H ALA A 86 -12.273 -16.524 -18.026 1.00 0.00 H new ATOM 0 HA ALA A 86 -10.670 -18.484 -19.475 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -12.226 -17.934 -21.319 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -13.095 -18.381 -19.832 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.966 -16.671 -20.306 1.00 0.00 H new ATOM 1141 N ASP A 87 -10.450 -15.238 -19.957 1.00 0.00 N ATOM 1142 CA ASP A 87 -9.618 -14.195 -20.545 1.00 0.00 C ATOM 1143 C ASP A 87 -9.565 -14.334 -22.064 1.00 0.00 C ATOM 1144 O ASP A 87 -10.299 -15.129 -22.651 1.00 0.00 O ATOM 1145 CB ASP A 87 -8.204 -14.254 -19.966 1.00 0.00 C ATOM 1146 CG ASP A 87 -7.742 -12.912 -19.430 1.00 0.00 C ATOM 1147 OD1 ASP A 87 -8.206 -12.517 -18.341 1.00 0.00 O ATOM 1148 OD2 ASP A 87 -6.916 -12.259 -20.101 1.00 0.00 O ATOM 0 H ASP A 87 -11.211 -14.891 -19.373 1.00 0.00 H new ATOM 0 HA ASP A 87 -10.062 -13.230 -20.301 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.173 -14.992 -19.165 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.512 -14.592 -20.738 1.00 0.00 H new ATOM 1152 N ALA A 88 -8.692 -13.555 -22.694 1.00 0.00 N ATOM 1153 CA ALA A 88 -8.542 -13.592 -24.143 1.00 0.00 C ATOM 1154 C ALA A 88 -7.074 -13.700 -24.541 1.00 0.00 C ATOM 1155 O ALA A 88 -6.189 -13.707 -23.687 1.00 0.00 O ATOM 1156 CB ALA A 88 -9.171 -12.356 -24.771 1.00 0.00 C ATOM 0 H ALA A 88 -8.078 -12.890 -22.223 1.00 0.00 H new ATOM 0 HA ALA A 88 -9.058 -14.478 -24.514 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -9.051 -12.397 -25.854 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -10.232 -12.322 -24.524 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.680 -11.462 -24.385 1.00 0.00 H new ATOM 1162 N ALA A 89 -6.823 -13.786 -25.844 1.00 0.00 N ATOM 1163 CA ALA A 89 -5.462 -13.892 -26.354 1.00 0.00 C ATOM 1164 C ALA A 89 -4.872 -12.515 -26.635 1.00 0.00 C ATOM 1165 O ALA A 89 -3.684 -12.280 -26.411 1.00 0.00 O ATOM 1166 CB ALA A 89 -5.436 -14.746 -27.613 1.00 0.00 C ATOM 0 H ALA A 89 -7.545 -13.784 -26.565 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.850 -14.371 -25.590 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.413 -14.817 -27.983 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.809 -15.744 -27.383 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.067 -14.289 -28.375 1.00 0.00 H new ATOM 1172 N ALA A 90 -5.708 -11.607 -27.126 1.00 0.00 N ATOM 1173 CA ALA A 90 -5.268 -10.251 -27.435 1.00 0.00 C ATOM 1174 C ALA A 90 -4.549 -9.623 -26.247 1.00 0.00 C ATOM 1175 O ALA A 90 -3.663 -8.785 -26.418 1.00 0.00 O ATOM 1176 CB ALA A 90 -6.454 -9.394 -27.852 1.00 0.00 C ATOM 0 H ALA A 90 -6.694 -11.785 -27.319 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.563 -10.304 -28.265 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.111 -8.385 -28.080 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.922 -9.826 -28.736 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.179 -9.356 -27.039 1.00 0.00 H new ATOM 1182 N ALA A 91 -4.937 -10.031 -25.044 1.00 0.00 N ATOM 1183 CA ALA A 91 -4.328 -9.508 -23.827 1.00 0.00 C ATOM 1184 C ALA A 91 -2.858 -9.901 -23.736 1.00 0.00 C ATOM 1185 O ALA A 91 -2.024 -9.120 -23.276 1.00 0.00 O ATOM 1186 CB ALA A 91 -5.085 -10.002 -22.603 1.00 0.00 C ATOM 0 H ALA A 91 -5.670 -10.722 -24.886 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.385 -8.420 -23.861 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.619 -9.604 -21.702 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.120 -9.666 -22.655 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.059 -11.091 -22.574 1.00 0.00 H new ATOM 1192 N SER A 92 -2.546 -11.116 -24.176 1.00 0.00 N ATOM 1193 CA SER A 92 -1.176 -11.614 -24.140 1.00 0.00 C ATOM 1194 C SER A 92 -0.410 -11.188 -25.389 1.00 0.00 C ATOM 1195 O SER A 92 -0.616 -11.732 -26.474 1.00 0.00 O ATOM 1196 CB SER A 92 -1.169 -13.139 -24.019 1.00 0.00 C ATOM 1197 OG SER A 92 0.058 -13.602 -23.481 1.00 0.00 O ATOM 0 H SER A 92 -3.224 -11.774 -24.562 1.00 0.00 H new ATOM 0 HA SER A 92 -0.682 -11.185 -23.268 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.993 -13.460 -23.382 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.331 -13.586 -25.000 1.00 0.00 H new ATOM 0 HG SER A 92 0.037 -14.579 -23.412 1.00 0.00 H new ATOM 1202 N THR A 93 0.476 -10.210 -25.228 1.00 0.00 N ATOM 1203 CA THR A 93 1.273 -9.708 -26.340 1.00 0.00 C ATOM 1204 C THR A 93 2.738 -10.098 -26.187 1.00 0.00 C ATOM 1205 O THR A 93 3.476 -10.175 -27.169 1.00 0.00 O ATOM 1206 CB THR A 93 1.170 -8.176 -26.458 1.00 0.00 C ATOM 1207 OG1 THR A 93 1.928 -7.552 -25.416 1.00 0.00 O ATOM 1208 CG2 THR A 93 -0.280 -7.723 -26.380 1.00 0.00 C ATOM 0 H THR A 93 0.660 -9.749 -24.337 1.00 0.00 H new ATOM 0 HA THR A 93 0.873 -10.162 -27.246 1.00 0.00 H new ATOM 0 HB THR A 93 1.574 -7.880 -27.426 1.00 0.00 H new ATOM 0 HG1 THR A 93 2.878 -7.554 -25.656 1.00 0.00 H new ATOM 0 HG21 THR A 93 -0.327 -6.637 -26.466 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.847 -8.176 -27.193 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.706 -8.030 -25.425 1.00 0.00 H new ATOM 1216 N TYR A 94 3.153 -10.343 -24.949 1.00 0.00 N ATOM 1217 CA TYR A 94 4.532 -10.724 -24.667 1.00 0.00 C ATOM 1218 C TYR A 94 4.647 -12.229 -24.442 1.00 0.00 C ATOM 1219 O TYR A 94 3.702 -12.876 -23.990 1.00 0.00 O ATOM 1220 CB TYR A 94 5.050 -9.973 -23.438 1.00 0.00 C ATOM 1221 CG TYR A 94 5.436 -8.540 -23.724 1.00 0.00 C ATOM 1222 CD1 TYR A 94 4.471 -7.546 -23.824 1.00 0.00 C ATOM 1223 CD2 TYR A 94 6.767 -8.179 -23.894 1.00 0.00 C ATOM 1224 CE1 TYR A 94 4.820 -6.235 -24.086 1.00 0.00 C ATOM 1225 CE2 TYR A 94 7.126 -6.871 -24.153 1.00 0.00 C ATOM 1226 CZ TYR A 94 6.148 -5.902 -24.249 1.00 0.00 C ATOM 1227 OH TYR A 94 6.501 -4.598 -24.509 1.00 0.00 O ATOM 0 H TYR A 94 2.554 -10.285 -24.125 1.00 0.00 H new ATOM 0 HA TYR A 94 5.139 -10.456 -25.532 1.00 0.00 H new ATOM 0 HB2 TYR A 94 4.283 -9.986 -22.664 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.916 -10.501 -23.038 1.00 0.00 H new ATOM 0 HD1 TYR A 94 3.430 -7.802 -23.695 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.535 -8.935 -23.822 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.056 -5.475 -24.163 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.166 -6.608 -24.280 1.00 0.00 H new ATOM 0 HH TYR A 94 7.475 -4.534 -24.595 1.00 0.00 H new ATOM 1236 N THR A 95 5.815 -12.780 -24.761 1.00 0.00 N ATOM 1237 CA THR A 95 6.055 -14.208 -24.595 1.00 0.00 C ATOM 1238 C THR A 95 7.480 -14.574 -24.992 1.00 0.00 C ATOM 1239 O THR A 95 7.958 -14.186 -26.058 1.00 0.00 O ATOM 1240 CB THR A 95 5.070 -15.045 -25.433 1.00 0.00 C ATOM 1241 OG1 THR A 95 4.422 -14.213 -26.402 1.00 0.00 O ATOM 1242 CG2 THR A 95 4.026 -15.703 -24.543 1.00 0.00 C ATOM 0 H THR A 95 6.608 -12.259 -25.135 1.00 0.00 H new ATOM 0 HA THR A 95 5.904 -14.434 -23.539 1.00 0.00 H new ATOM 0 HB THR A 95 5.634 -15.826 -25.944 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.799 -14.752 -26.932 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.342 -16.289 -25.157 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.520 -16.358 -23.825 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.467 -14.935 -24.009 1.00 0.00 H new ATOM 1250 N GLY A 96 8.156 -15.326 -24.128 1.00 0.00 N ATOM 1251 CA GLY A 96 9.521 -15.733 -24.407 1.00 0.00 C ATOM 1252 C GLY A 96 10.297 -16.061 -23.148 1.00 0.00 C ATOM 1253 O GLY A 96 10.196 -15.352 -22.146 1.00 0.00 O ATOM 0 H GLY A 96 7.782 -15.661 -23.240 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.510 -16.605 -25.061 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.031 -14.936 -24.947 1.00 0.00 H new ATOM 1257 N PHE A 97 11.074 -17.137 -23.196 1.00 0.00 N ATOM 1258 CA PHE A 97 11.870 -17.559 -22.049 1.00 0.00 C ATOM 1259 C PHE A 97 11.088 -17.383 -20.751 1.00 0.00 C ATOM 1260 O PHE A 97 10.104 -18.090 -20.539 1.00 0.00 O ATOM 1261 CB PHE A 97 13.173 -16.760 -21.984 1.00 0.00 C ATOM 1262 CG PHE A 97 12.979 -15.327 -21.580 1.00 0.00 C ATOM 1263 CD1 PHE A 97 12.918 -14.973 -20.242 1.00 0.00 C ATOM 1264 CD2 PHE A 97 12.858 -14.334 -22.538 1.00 0.00 C ATOM 1265 CE1 PHE A 97 12.739 -13.654 -19.866 1.00 0.00 C ATOM 1266 CE2 PHE A 97 12.680 -13.014 -22.169 1.00 0.00 C ATOM 1267 CZ PHE A 97 12.619 -12.674 -20.831 1.00 0.00 C ATOM 0 H PHE A 97 11.170 -17.734 -24.018 1.00 0.00 H new ATOM 0 HA PHE A 97 12.106 -18.616 -22.171 1.00 0.00 H new ATOM 0 HB2 PHE A 97 13.849 -17.240 -21.276 1.00 0.00 H new ATOM 0 HB3 PHE A 97 13.658 -16.791 -22.960 1.00 0.00 H new ATOM 0 HD1 PHE A 97 13.011 -15.736 -19.483 1.00 0.00 H new ATOM 0 HD2 PHE A 97 12.903 -14.594 -23.585 1.00 0.00 H new ATOM 0 HE1 PHE A 97 12.693 -13.391 -18.819 1.00 0.00 H new ATOM 0 HE2 PHE A 97 12.589 -12.249 -22.926 1.00 0.00 H new ATOM 0 HZ PHE A 97 12.478 -11.643 -20.541 1.00 0.00 H new TER 1276 PHE A 97 ATOM 1277 N SER B 601 12.038 25.153 0.981 1.00 0.00 N ATOM 1278 CA SER B 601 11.925 24.722 -0.407 1.00 0.00 C ATOM 1279 C SER B 601 10.673 25.306 -1.055 1.00 0.00 C ATOM 1280 O SER B 601 10.701 25.733 -2.209 1.00 0.00 O ATOM 1281 CB SER B 601 11.888 23.194 -0.487 1.00 0.00 C ATOM 1282 OG SER B 601 13.190 22.647 -0.370 1.00 0.00 O ATOM 0 HA SER B 601 12.798 25.086 -0.948 1.00 0.00 H new ATOM 0 HB2 SER B 601 11.252 22.800 0.306 1.00 0.00 H new ATOM 0 HB3 SER B 601 11.444 22.887 -1.434 1.00 0.00 H new ATOM 0 HG SER B 601 13.140 21.670 -0.422 1.00 0.00 H new ATOM 1287 N MET B 602 9.577 25.323 -0.304 1.00 0.00 N ATOM 1288 CA MET B 602 8.316 25.855 -0.806 1.00 0.00 C ATOM 1289 C MET B 602 8.092 27.280 -0.308 1.00 0.00 C ATOM 1290 O MET B 602 6.960 27.762 -0.265 1.00 0.00 O ATOM 1291 CB MET B 602 7.152 24.963 -0.372 1.00 0.00 C ATOM 1292 CG MET B 602 6.818 23.871 -1.376 1.00 0.00 C ATOM 1293 SD MET B 602 5.822 22.549 -0.659 1.00 0.00 S ATOM 1294 CE MET B 602 4.172 23.101 -1.083 1.00 0.00 C ATOM 0 H MET B 602 9.537 24.975 0.654 1.00 0.00 H new ATOM 0 HA MET B 602 8.365 25.871 -1.895 1.00 0.00 H new ATOM 0 HB2 MET B 602 7.395 24.503 0.586 1.00 0.00 H new ATOM 0 HB3 MET B 602 6.269 25.582 -0.214 1.00 0.00 H new ATOM 0 HG2 MET B 602 6.282 24.309 -2.218 1.00 0.00 H new ATOM 0 HG3 MET B 602 7.743 23.451 -1.771 1.00 0.00 H new ATOM 0 HE1 MET B 602 3.448 22.627 -0.420 1.00 0.00 H new ATOM 0 HE2 MET B 602 4.111 24.184 -0.972 1.00 0.00 H new ATOM 0 HE3 MET B 602 3.951 22.829 -2.115 1.00 0.00 H new ATOM 1302 N SER B 603 9.177 27.949 0.067 1.00 0.00 N ATOM 1303 CA SER B 603 9.098 29.317 0.567 1.00 0.00 C ATOM 1304 C SER B 603 9.255 30.320 -0.572 1.00 0.00 C ATOM 1305 O SER B 603 9.052 31.520 -0.388 1.00 0.00 O ATOM 1306 CB SER B 603 10.175 29.559 1.626 1.00 0.00 C ATOM 1307 OG SER B 603 11.473 29.454 1.067 1.00 0.00 O ATOM 0 H SER B 603 10.122 27.566 0.034 1.00 0.00 H new ATOM 0 HA SER B 603 8.116 29.456 1.020 1.00 0.00 H new ATOM 0 HB2 SER B 603 10.043 30.549 2.064 1.00 0.00 H new ATOM 0 HB3 SER B 603 10.064 28.836 2.434 1.00 0.00 H new ATOM 0 HG SER B 603 12.143 29.615 1.764 1.00 0.00 H new ATOM 1312 N GLN B 604 9.616 29.819 -1.749 1.00 0.00 N ATOM 1313 CA GLN B 604 9.801 30.671 -2.918 1.00 0.00 C ATOM 1314 C GLN B 604 8.497 30.817 -3.696 1.00 0.00 C ATOM 1315 O GLN B 604 8.487 31.326 -4.817 1.00 0.00 O ATOM 1316 CB GLN B 604 10.889 30.097 -3.827 1.00 0.00 C ATOM 1317 CG GLN B 604 10.500 28.786 -4.490 1.00 0.00 C ATOM 1318 CD GLN B 604 11.653 28.143 -5.234 1.00 0.00 C ATOM 1319 OE1 GLN B 604 12.549 28.829 -5.727 1.00 0.00 O ATOM 1320 NE2 GLN B 604 11.638 26.819 -5.319 1.00 0.00 N ATOM 0 H GLN B 604 9.786 28.828 -1.918 1.00 0.00 H new ATOM 0 HA GLN B 604 10.110 31.658 -2.572 1.00 0.00 H new ATOM 0 HB2 GLN B 604 11.128 30.828 -4.599 1.00 0.00 H new ATOM 0 HB3 GLN B 604 11.796 29.943 -3.242 1.00 0.00 H new ATOM 0 HG2 GLN B 604 10.132 28.095 -3.732 1.00 0.00 H new ATOM 0 HG3 GLN B 604 9.679 28.964 -5.184 1.00 0.00 H new ATOM 0 HE21 GLN B 604 10.876 26.289 -4.896 1.00 0.00 H new ATOM 0 HE22 GLN B 604 12.389 26.331 -5.807 1.00 0.00 H new ATOM 1327 N ILE B 605 7.401 30.368 -3.094 1.00 0.00 N ATOM 1328 CA ILE B 605 6.092 30.451 -3.731 1.00 0.00 C ATOM 1329 C ILE B 605 5.209 31.483 -3.039 1.00 0.00 C ATOM 1330 O ILE B 605 5.667 32.227 -2.173 1.00 0.00 O ATOM 1331 CB ILE B 605 5.376 29.088 -3.721 1.00 0.00 C ATOM 1332 CG1 ILE B 605 6.378 27.961 -3.464 1.00 0.00 C ATOM 1333 CG2 ILE B 605 4.644 28.864 -5.036 1.00 0.00 C ATOM 1334 CD1 ILE B 605 7.404 27.804 -4.565 1.00 0.00 C ATOM 0 H ILE B 605 7.393 29.943 -2.167 1.00 0.00 H new ATOM 0 HA ILE B 605 6.261 30.756 -4.764 1.00 0.00 H new ATOM 0 HB ILE B 605 4.643 29.086 -2.915 1.00 0.00 H new ATOM 0 HG12 ILE B 605 6.893 28.151 -2.522 1.00 0.00 H new ATOM 0 HG13 ILE B 605 5.836 27.023 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE B 605 4.143 27.896 -5.013 1.00 0.00 H new ATOM 0 HG22 ILE B 605 3.905 29.652 -5.180 1.00 0.00 H new ATOM 0 HG23 ILE B 605 5.359 28.883 -5.858 1.00 0.00 H new ATOM 0 HD11 ILE B 605 8.082 26.987 -4.317 1.00 0.00 H new ATOM 0 HD12 ILE B 605 6.898 27.583 -5.505 1.00 0.00 H new ATOM 0 HD13 ILE B 605 7.972 28.729 -4.667 1.00 0.00 H new ATOM 1345 N MET B 606 3.938 31.521 -3.427 1.00 0.00 N ATOM 1346 CA MET B 606 2.989 32.460 -2.842 1.00 0.00 C ATOM 1347 C MET B 606 2.776 32.166 -1.360 1.00 0.00 C ATOM 1348 O MET B 606 1.934 31.346 -0.995 1.00 0.00 O ATOM 1349 CB MET B 606 1.652 32.396 -3.583 1.00 0.00 C ATOM 1350 CG MET B 606 1.127 30.981 -3.767 1.00 0.00 C ATOM 1351 SD MET B 606 -0.667 30.881 -3.610 1.00 0.00 S ATOM 1352 CE MET B 606 -0.871 31.195 -1.859 1.00 0.00 C ATOM 0 H MET B 606 3.542 30.913 -4.144 1.00 0.00 H new ATOM 0 HA MET B 606 3.403 33.464 -2.940 1.00 0.00 H new ATOM 0 HB2 MET B 606 0.913 32.980 -3.034 1.00 0.00 H new ATOM 0 HB3 MET B 606 1.765 32.863 -4.561 1.00 0.00 H new ATOM 0 HG2 MET B 606 1.423 30.612 -4.749 1.00 0.00 H new ATOM 0 HG3 MET B 606 1.590 30.327 -3.028 1.00 0.00 H new ATOM 0 HE1 MET B 606 -1.933 31.219 -1.615 1.00 0.00 H new ATOM 0 HE2 MET B 606 -0.385 30.403 -1.288 1.00 0.00 H new ATOM 0 HE3 MET B 606 -0.419 32.154 -1.606 1.00 0.00 H new ATOM 1360 N TYR B 607 3.544 32.841 -0.512 1.00 0.00 N ATOM 1361 CA TYR B 607 3.442 32.649 0.930 1.00 0.00 C ATOM 1362 C TYR B 607 3.476 33.988 1.661 1.00 0.00 C ATOM 1363 O TYR B 607 4.537 34.587 1.832 1.00 0.00 O ATOM 1364 CB TYR B 607 4.576 31.753 1.428 1.00 0.00 C ATOM 1365 CG TYR B 607 4.337 30.281 1.186 1.00 0.00 C ATOM 1366 CD1 TYR B 607 4.314 29.762 -0.103 1.00 0.00 C ATOM 1367 CD2 TYR B 607 4.133 29.406 2.247 1.00 0.00 C ATOM 1368 CE1 TYR B 607 4.094 28.418 -0.329 1.00 0.00 C ATOM 1369 CE2 TYR B 607 3.914 28.059 2.030 1.00 0.00 C ATOM 1370 CZ TYR B 607 3.895 27.570 0.741 1.00 0.00 C ATOM 1371 OH TYR B 607 3.677 26.230 0.520 1.00 0.00 O ATOM 0 H TYR B 607 4.244 33.526 -0.798 1.00 0.00 H new ATOM 0 HA TYR B 607 2.488 32.165 1.140 1.00 0.00 H new ATOM 0 HB2 TYR B 607 5.503 32.047 0.936 1.00 0.00 H new ATOM 0 HB3 TYR B 607 4.716 31.919 2.496 1.00 0.00 H new ATOM 0 HD1 TYR B 607 4.471 30.422 -0.943 1.00 0.00 H new ATOM 0 HD2 TYR B 607 4.146 29.786 3.258 1.00 0.00 H new ATOM 0 HE1 TYR B 607 4.078 28.033 -1.338 1.00 0.00 H new ATOM 0 HE2 TYR B 607 3.759 27.393 2.866 1.00 0.00 H new ATOM 0 HH TYR B 607 3.557 25.772 1.378 1.00 0.00 H new ATOM 1380 N ASN B 608 2.307 34.450 2.091 1.00 0.00 N ATOM 1381 CA ASN B 608 2.202 35.718 2.804 1.00 0.00 C ATOM 1382 C ASN B 608 2.760 35.594 4.219 1.00 0.00 C ATOM 1383 O ASN B 608 3.841 36.100 4.518 1.00 0.00 O ATOM 1384 CB ASN B 608 0.744 36.179 2.857 1.00 0.00 C ATOM 1385 CG ASN B 608 0.255 36.705 1.522 1.00 0.00 C ATOM 1386 OD1 ASN B 608 -0.493 36.032 0.812 1.00 0.00 O ATOM 1387 ND2 ASN B 608 0.677 37.915 1.173 1.00 0.00 N ATOM 0 H ASN B 608 1.419 33.966 1.958 1.00 0.00 H new ATOM 0 HA ASN B 608 2.790 36.460 2.264 1.00 0.00 H new ATOM 0 HB2 ASN B 608 0.114 35.346 3.169 1.00 0.00 H new ATOM 0 HB3 ASN B 608 0.639 36.958 3.612 1.00 0.00 H new ATOM 0 HD21 ASN B 608 0.382 38.322 0.286 1.00 0.00 H new ATOM 0 HD22 ASN B 608 1.296 38.437 1.792 1.00 0.00 H new ATOM 1393 N TYR B 609 2.013 34.918 5.085 1.00 0.00 N ATOM 1394 CA TYR B 609 2.432 34.728 6.469 1.00 0.00 C ATOM 1395 C TYR B 609 2.632 33.248 6.781 1.00 0.00 C ATOM 1396 O TYR B 609 2.128 32.368 6.083 1.00 0.00 O ATOM 1397 CB TYR B 609 1.397 35.327 7.423 1.00 0.00 C ATOM 1398 CG TYR B 609 1.806 36.662 8.002 1.00 0.00 C ATOM 1399 CD1 TYR B 609 2.170 37.718 7.175 1.00 0.00 C ATOM 1400 CD2 TYR B 609 1.833 36.867 9.376 1.00 0.00 C ATOM 1401 CE1 TYR B 609 2.546 38.939 7.699 1.00 0.00 C ATOM 1402 CE2 TYR B 609 2.207 38.086 9.910 1.00 0.00 C ATOM 1403 CZ TYR B 609 2.563 39.118 9.067 1.00 0.00 C ATOM 1404 OH TYR B 609 2.937 40.333 9.594 1.00 0.00 O ATOM 0 H TYR B 609 1.115 34.493 4.854 1.00 0.00 H new ATOM 0 HA TYR B 609 3.384 35.240 6.607 1.00 0.00 H new ATOM 0 HB2 TYR B 609 0.452 35.445 6.892 1.00 0.00 H new ATOM 0 HB3 TYR B 609 1.219 34.626 8.239 1.00 0.00 H new ATOM 0 HD1 TYR B 609 2.159 37.581 6.104 1.00 0.00 H new ATOM 0 HD2 TYR B 609 1.557 36.060 10.038 1.00 0.00 H new ATOM 0 HE1 TYR B 609 2.825 39.749 7.042 1.00 0.00 H new ATOM 0 HE2 TYR B 609 2.220 38.229 10.980 1.00 0.00 H new ATOM 0 HH TYR B 609 2.894 40.292 10.572 1.00 0.00 H new ATOM 1413 N PRO B 610 3.384 32.967 7.854 1.00 0.00 N ATOM 1414 CA PRO B 610 3.667 31.594 8.286 1.00 0.00 C ATOM 1415 C PRO B 610 2.432 30.897 8.845 1.00 0.00 C ATOM 1416 O PRO B 610 2.409 29.673 8.984 1.00 0.00 O ATOM 1417 CB PRO B 610 4.721 31.777 9.380 1.00 0.00 C ATOM 1418 CG PRO B 610 4.490 33.152 9.903 1.00 0.00 C ATOM 1419 CD PRO B 610 4.016 33.967 8.732 1.00 0.00 C ATOM 0 HA PRO B 610 3.997 30.965 7.459 1.00 0.00 H new ATOM 0 HB2 PRO B 610 4.609 31.030 10.166 1.00 0.00 H new ATOM 0 HB3 PRO B 610 5.729 31.670 8.980 1.00 0.00 H new ATOM 0 HG2 PRO B 610 3.747 33.146 10.701 1.00 0.00 H new ATOM 0 HG3 PRO B 610 5.405 33.568 10.323 1.00 0.00 H new ATOM 0 HD2 PRO B 610 3.308 34.737 9.039 1.00 0.00 H new ATOM 0 HD3 PRO B 610 4.843 34.474 8.234 1.00 0.00 H new ATOM 1424 N ALA B 611 1.408 31.681 9.165 1.00 0.00 N ATOM 1425 CA ALA B 611 0.170 31.137 9.706 1.00 0.00 C ATOM 1426 C ALA B 611 -0.366 30.011 8.828 1.00 0.00 C ATOM 1427 O ALA B 611 -1.014 29.085 9.316 1.00 0.00 O ATOM 1428 CB ALA B 611 -0.871 32.237 9.853 1.00 0.00 C ATOM 0 H ALA B 611 1.412 32.695 9.059 1.00 0.00 H new ATOM 0 HA ALA B 611 0.385 30.722 10.691 1.00 0.00 H new ATOM 0 HB1 ALA B 611 -1.791 31.816 10.258 1.00 0.00 H new ATOM 0 HB2 ALA B 611 -0.495 33.005 10.529 1.00 0.00 H new ATOM 0 HB3 ALA B 611 -1.074 32.679 8.877 1.00 0.00 H new ATOM 1434 N MET B 612 -0.094 30.099 7.531 1.00 0.00 N ATOM 1435 CA MET B 612 -0.549 29.086 6.585 1.00 0.00 C ATOM 1436 C MET B 612 0.432 27.920 6.522 1.00 0.00 C ATOM 1437 O MET B 612 0.042 26.781 6.264 1.00 0.00 O ATOM 1438 CB MET B 612 -0.722 29.699 5.193 1.00 0.00 C ATOM 1439 CG MET B 612 0.590 30.093 4.536 1.00 0.00 C ATOM 1440 SD MET B 612 0.411 31.486 3.406 1.00 0.00 S ATOM 1441 CE MET B 612 -0.717 30.797 2.197 1.00 0.00 C ATOM 0 H MET B 612 0.439 30.860 7.110 1.00 0.00 H new ATOM 0 HA MET B 612 -1.511 28.709 6.930 1.00 0.00 H new ATOM 0 HB2 MET B 612 -1.240 28.985 4.552 1.00 0.00 H new ATOM 0 HB3 MET B 612 -1.360 30.580 5.269 1.00 0.00 H new ATOM 0 HG2 MET B 612 1.316 30.348 5.308 1.00 0.00 H new ATOM 0 HG3 MET B 612 0.990 29.238 3.991 1.00 0.00 H new ATOM 0 HE1 MET B 612 -0.843 31.501 1.374 1.00 0.00 H new ATOM 0 HE2 MET B 612 -0.313 29.860 1.815 1.00 0.00 H new ATOM 0 HE3 MET B 612 -1.683 30.611 2.666 1.00 0.00 H new ATOM 1449 N LEU B 613 1.706 28.212 6.758 1.00 0.00 N ATOM 1450 CA LEU B 613 2.744 27.188 6.727 1.00 0.00 C ATOM 1451 C LEU B 613 2.498 26.131 7.800 1.00 0.00 C ATOM 1452 O LEU B 613 1.960 26.428 8.866 1.00 0.00 O ATOM 1453 CB LEU B 613 4.121 27.822 6.927 1.00 0.00 C ATOM 1454 CG LEU B 613 5.318 26.875 6.830 1.00 0.00 C ATOM 1455 CD1 LEU B 613 5.386 26.241 5.449 1.00 0.00 C ATOM 1456 CD2 LEU B 613 6.611 27.615 7.143 1.00 0.00 C ATOM 0 H LEU B 613 2.045 29.150 6.973 1.00 0.00 H new ATOM 0 HA LEU B 613 2.712 26.704 5.751 1.00 0.00 H new ATOM 0 HB2 LEU B 613 4.247 28.611 6.185 1.00 0.00 H new ATOM 0 HB3 LEU B 613 4.140 28.300 7.907 1.00 0.00 H new ATOM 0 HG LEU B 613 5.190 26.082 7.566 1.00 0.00 H new ATOM 0 HD11 LEU B 613 6.244 25.570 5.398 1.00 0.00 H new ATOM 0 HD12 LEU B 613 4.472 25.676 5.262 1.00 0.00 H new ATOM 0 HD13 LEU B 613 5.491 27.021 4.695 1.00 0.00 H new ATOM 0 HD21 LEU B 613 7.452 26.925 7.069 1.00 0.00 H new ATOM 0 HD22 LEU B 613 6.746 28.429 6.431 1.00 0.00 H new ATOM 0 HD23 LEU B 613 6.562 28.021 8.153 1.00 0.00 H new ATOM 1467 N GLY B 614 2.898 24.896 7.511 1.00 0.00 N ATOM 1468 CA GLY B 614 2.714 23.816 8.461 1.00 0.00 C ATOM 1469 C GLY B 614 3.336 24.117 9.810 1.00 0.00 C ATOM 1470 O GLY B 614 4.180 25.006 9.928 1.00 0.00 O ATOM 0 H GLY B 614 3.346 24.625 6.636 1.00 0.00 H new ATOM 0 HA2 GLY B 614 1.648 23.628 8.590 1.00 0.00 H new ATOM 0 HA3 GLY B 614 3.153 22.903 8.058 1.00 0.00 H new ATOM 1474 N HIS B 615 2.918 23.376 10.831 1.00 0.00 N ATOM 1475 CA HIS B 615 3.440 23.570 12.180 1.00 0.00 C ATOM 1476 C HIS B 615 4.365 22.422 12.575 1.00 0.00 C ATOM 1477 O HIS B 615 5.578 22.597 12.678 1.00 0.00 O ATOM 1478 CB HIS B 615 2.291 23.683 13.182 1.00 0.00 C ATOM 1479 CG HIS B 615 1.722 25.063 13.287 1.00 0.00 C ATOM 1480 ND1 HIS B 615 1.125 25.547 14.433 1.00 0.00 N ATOM 1481 CD2 HIS B 615 1.663 26.069 12.383 1.00 0.00 C ATOM 1482 CE1 HIS B 615 0.721 26.788 14.227 1.00 0.00 C ATOM 1483 NE2 HIS B 615 1.036 27.128 12.991 1.00 0.00 N ATOM 0 H HIS B 615 2.220 22.636 10.751 1.00 0.00 H new ATOM 0 HA HIS B 615 4.015 24.496 12.192 1.00 0.00 H new ATOM 0 HB2 HIS B 615 1.498 22.993 12.893 1.00 0.00 H new ATOM 0 HB3 HIS B 615 2.644 23.369 14.164 1.00 0.00 H new ATOM 0 HD2 HIS B 615 2.039 26.043 11.371 1.00 0.00 H new ATOM 0 HE1 HIS B 615 0.219 27.417 14.947 1.00 0.00 H new ATOM 0 HE2 HIS B 615 0.844 28.031 12.558 1.00 0.00 H new ATOM 1490 N ALA B 616 3.782 21.248 12.796 1.00 0.00 N ATOM 1491 CA ALA B 616 4.554 20.072 13.177 1.00 0.00 C ATOM 1492 C ALA B 616 3.709 18.807 13.082 1.00 0.00 C ATOM 1493 O ALA B 616 3.918 17.973 12.201 1.00 0.00 O ATOM 1494 CB ALA B 616 5.103 20.237 14.587 1.00 0.00 C ATOM 0 H ALA B 616 2.778 21.086 12.718 1.00 0.00 H new ATOM 0 HA ALA B 616 5.388 19.974 12.482 1.00 0.00 H new ATOM 0 HB1 ALA B 616 5.678 19.352 14.860 1.00 0.00 H new ATOM 0 HB2 ALA B 616 5.748 21.115 14.626 1.00 0.00 H new ATOM 0 HB3 ALA B 616 4.277 20.363 15.287 1.00 0.00 H new ATOM 1500 N GLY B 617 2.753 18.667 13.996 1.00 0.00 N ATOM 1501 CA GLY B 617 1.891 17.500 13.998 1.00 0.00 C ATOM 1502 C GLY B 617 2.670 16.205 14.120 1.00 0.00 C ATOM 1503 O GLY B 617 3.791 16.192 14.629 1.00 0.00 O ATOM 0 H GLY B 617 2.560 19.342 14.736 1.00 0.00 H new ATOM 0 HA2 GLY B 617 1.185 17.575 14.825 1.00 0.00 H new ATOM 0 HA3 GLY B 617 1.305 17.483 13.079 1.00 0.00 H new ATOM 1507 N ASP B 618 2.074 15.113 13.654 1.00 0.00 N ATOM 1508 CA ASP B 618 2.719 13.806 13.715 1.00 0.00 C ATOM 1509 C ASP B 618 1.953 12.783 12.882 1.00 0.00 C ATOM 1510 O ASP B 618 1.789 11.634 13.291 1.00 0.00 O ATOM 1511 CB ASP B 618 2.820 13.330 15.164 1.00 0.00 C ATOM 1512 CG ASP B 618 4.118 12.598 15.446 1.00 0.00 C ATOM 1513 OD1 ASP B 618 4.153 11.363 15.265 1.00 0.00 O ATOM 1514 OD2 ASP B 618 5.098 13.260 15.846 1.00 0.00 O ATOM 0 H ASP B 618 1.146 15.107 13.230 1.00 0.00 H new ATOM 0 HA ASP B 618 3.723 13.904 13.303 1.00 0.00 H new ATOM 0 HB2 ASP B 618 2.738 14.188 15.831 1.00 0.00 H new ATOM 0 HB3 ASP B 618 1.980 12.672 15.386 1.00 0.00 H new ATOM 1518 N MET B 619 1.486 13.209 11.714 1.00 0.00 N ATOM 1519 CA MET B 619 0.737 12.329 10.824 1.00 0.00 C ATOM 1520 C MET B 619 1.650 11.273 10.208 1.00 0.00 C ATOM 1521 O MET B 619 1.204 10.180 9.863 1.00 0.00 O ATOM 1522 CB MET B 619 0.061 13.143 9.718 1.00 0.00 C ATOM 1523 CG MET B 619 -1.298 13.695 10.114 1.00 0.00 C ATOM 1524 SD MET B 619 -1.672 15.264 9.309 1.00 0.00 S ATOM 1525 CE MET B 619 -3.463 15.233 9.321 1.00 0.00 C ATOM 0 H MET B 619 1.613 14.158 11.361 1.00 0.00 H new ATOM 0 HA MET B 619 -0.028 11.823 11.413 1.00 0.00 H new ATOM 0 HB2 MET B 619 0.712 13.971 9.438 1.00 0.00 H new ATOM 0 HB3 MET B 619 -0.054 12.515 8.835 1.00 0.00 H new ATOM 0 HG2 MET B 619 -2.069 12.968 9.860 1.00 0.00 H new ATOM 0 HG3 MET B 619 -1.330 13.829 11.195 1.00 0.00 H new ATOM 0 HE1 MET B 619 -3.846 16.115 8.808 1.00 0.00 H new ATOM 0 HE2 MET B 619 -3.815 14.336 8.812 1.00 0.00 H new ATOM 0 HE3 MET B 619 -3.820 15.229 10.351 1.00 0.00 H new ATOM 1533 N ALA B 620 2.929 11.608 10.075 1.00 0.00 N ATOM 1534 CA ALA B 620 3.904 10.688 9.503 1.00 0.00 C ATOM 1535 C ALA B 620 3.864 9.337 10.210 1.00 0.00 C ATOM 1536 O ALA B 620 4.124 8.300 9.602 1.00 0.00 O ATOM 1537 CB ALA B 620 5.302 11.285 9.580 1.00 0.00 C ATOM 0 H ALA B 620 3.314 12.510 10.356 1.00 0.00 H new ATOM 0 HA ALA B 620 3.646 10.529 8.456 1.00 0.00 H new ATOM 0 HB1 ALA B 620 6.020 10.587 9.149 1.00 0.00 H new ATOM 0 HB2 ALA B 620 5.329 12.222 9.024 1.00 0.00 H new ATOM 0 HB3 ALA B 620 5.560 11.474 10.622 1.00 0.00 H new ATOM 1543 N GLY B 621 3.539 9.358 11.499 1.00 0.00 N ATOM 1544 CA GLY B 621 3.472 8.129 12.268 1.00 0.00 C ATOM 1545 C GLY B 621 2.467 7.145 11.702 1.00 0.00 C ATOM 1546 O GLY B 621 2.723 5.942 11.657 1.00 0.00 O ATOM 0 H GLY B 621 3.321 10.205 12.025 1.00 0.00 H new ATOM 0 HA2 GLY B 621 4.458 7.664 12.291 1.00 0.00 H new ATOM 0 HA3 GLY B 621 3.206 8.363 13.299 1.00 0.00 H new ATOM 1550 N TYR B 622 1.319 7.657 11.272 1.00 0.00 N ATOM 1551 CA TYR B 622 0.270 6.814 10.710 1.00 0.00 C ATOM 1552 C TYR B 622 0.756 6.107 9.449 1.00 0.00 C ATOM 1553 O TYR B 622 0.426 4.946 9.209 1.00 0.00 O ATOM 1554 CB TYR B 622 -0.970 7.652 10.393 1.00 0.00 C ATOM 1555 CG TYR B 622 -1.890 7.845 11.578 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -2.842 6.889 11.906 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -1.805 8.984 12.369 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -3.685 7.062 12.987 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -2.644 9.165 13.452 1.00 0.00 C ATOM 1560 CZ TYR B 622 -3.581 8.201 13.757 1.00 0.00 C ATOM 1561 OH TYR B 622 -4.418 8.378 14.835 1.00 0.00 O ATOM 0 H TYR B 622 1.091 8.651 11.302 1.00 0.00 H new ATOM 0 HA TYR B 622 0.010 6.058 11.451 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -0.654 8.629 10.026 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.525 7.173 9.587 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -2.925 5.995 11.306 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -1.071 9.740 12.134 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -4.421 6.309 13.227 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -2.566 10.057 14.056 1.00 0.00 H new ATOM 0 HH TYR B 622 -4.213 9.231 15.271 1.00 0.00 H new ATOM 1570 N ALA B 623 1.544 6.816 8.646 1.00 0.00 N ATOM 1571 CA ALA B 623 2.078 6.256 7.411 1.00 0.00 C ATOM 1572 C ALA B 623 2.762 4.918 7.666 1.00 0.00 C ATOM 1573 O ALA B 623 2.479 3.926 6.995 1.00 0.00 O ATOM 1574 CB ALA B 623 3.049 7.234 6.766 1.00 0.00 C ATOM 0 H ALA B 623 1.826 7.779 8.829 1.00 0.00 H new ATOM 0 HA ALA B 623 1.246 6.084 6.729 1.00 0.00 H new ATOM 0 HB1 ALA B 623 3.441 6.803 5.844 1.00 0.00 H new ATOM 0 HB2 ALA B 623 2.530 8.166 6.540 1.00 0.00 H new ATOM 0 HB3 ALA B 623 3.873 7.434 7.451 1.00 0.00 H new ATOM 1580 N GLY B 624 3.666 4.896 8.641 1.00 0.00 N ATOM 1581 CA GLY B 624 4.378 3.673 8.966 1.00 0.00 C ATOM 1582 C GLY B 624 3.442 2.506 9.210 1.00 0.00 C ATOM 1583 O GLY B 624 3.763 1.363 8.880 1.00 0.00 O ATOM 0 H GLY B 624 3.918 5.703 9.212 1.00 0.00 H new ATOM 0 HA2 GLY B 624 5.059 3.425 8.152 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.989 3.837 9.854 1.00 0.00 H new ATOM 1587 N THR B 625 2.282 2.791 9.793 1.00 0.00 N ATOM 1588 CA THR B 625 1.299 1.756 10.085 1.00 0.00 C ATOM 1589 C THR B 625 0.922 0.984 8.825 1.00 0.00 C ATOM 1590 O THR B 625 0.847 -0.245 8.837 1.00 0.00 O ATOM 1591 CB THR B 625 0.022 2.352 10.707 1.00 0.00 C ATOM 1592 OG1 THR B 625 0.362 3.172 11.831 1.00 0.00 O ATOM 1593 CG2 THR B 625 -0.932 1.252 11.146 1.00 0.00 C ATOM 0 H THR B 625 2.000 3.731 10.072 1.00 0.00 H new ATOM 0 HA THR B 625 1.761 1.076 10.801 1.00 0.00 H new ATOM 0 HB THR B 625 -0.474 2.960 9.950 1.00 0.00 H new ATOM 0 HG1 THR B 625 -0.455 3.549 12.220 1.00 0.00 H new ATOM 0 HG21 THR B 625 -1.826 1.698 11.582 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.212 0.647 10.283 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.443 0.621 11.888 1.00 0.00 H new ATOM 1601 N LEU B 626 0.690 1.711 7.738 1.00 0.00 N ATOM 1602 CA LEU B 626 0.323 1.095 6.469 1.00 0.00 C ATOM 1603 C LEU B 626 1.492 0.304 5.889 1.00 0.00 C ATOM 1604 O LEU B 626 1.329 -0.838 5.461 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.129 2.163 5.472 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.534 2.726 5.683 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -1.523 3.800 6.760 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -2.089 3.282 4.379 1.00 0.00 C ATOM 0 H LEU B 626 0.750 2.729 7.710 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.502 0.407 6.653 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.581 2.989 5.508 1.00 0.00 H new ATOM 0 HB3 LEU B 626 -0.075 1.741 4.469 1.00 0.00 H new ATOM 0 HG LEU B 626 -2.183 1.915 6.014 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -2.532 4.189 6.896 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -1.170 3.371 7.698 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -0.859 4.610 6.459 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -3.090 3.678 4.549 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -1.440 4.079 4.018 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -2.135 2.487 3.635 1.00 0.00 H new ATOM 1619 N GLN B 627 2.670 0.920 5.881 1.00 0.00 N ATOM 1620 CA GLN B 627 3.866 0.274 5.355 1.00 0.00 C ATOM 1621 C GLN B 627 4.087 -1.083 6.018 1.00 0.00 C ATOM 1622 O GLN B 627 4.525 -2.036 5.372 1.00 0.00 O ATOM 1623 CB GLN B 627 5.091 1.165 5.572 1.00 0.00 C ATOM 1624 CG GLN B 627 6.264 0.815 4.670 1.00 0.00 C ATOM 1625 CD GLN B 627 7.580 0.759 5.421 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.804 -0.132 6.240 1.00 0.00 O ATOM 1627 NE2 GLN B 627 8.459 1.716 5.146 1.00 0.00 N ATOM 0 H GLN B 627 2.821 1.865 6.233 1.00 0.00 H new ATOM 0 HA GLN B 627 3.724 0.118 4.286 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.809 2.204 5.401 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.407 1.087 6.612 1.00 0.00 H new ATOM 0 HG2 GLN B 627 6.079 -0.149 4.197 1.00 0.00 H new ATOM 0 HG3 GLN B 627 6.337 1.553 3.871 1.00 0.00 H new ATOM 0 HE21 GLN B 627 8.232 2.435 4.460 1.00 0.00 H new ATOM 0 HE22 GLN B 627 9.361 1.731 5.621 1.00 0.00 H new ATOM 1634 N SER B 628 3.780 -1.163 7.308 1.00 0.00 N ATOM 1635 CA SER B 628 3.949 -2.402 8.058 1.00 0.00 C ATOM 1636 C SER B 628 2.837 -3.394 7.727 1.00 0.00 C ATOM 1637 O SER B 628 3.101 -4.541 7.365 1.00 0.00 O ATOM 1638 CB SER B 628 3.961 -2.116 9.561 1.00 0.00 C ATOM 1639 OG SER B 628 5.013 -1.231 9.903 1.00 0.00 O ATOM 0 H SER B 628 3.413 -0.385 7.856 1.00 0.00 H new ATOM 0 HA SER B 628 4.904 -2.843 7.771 1.00 0.00 H new ATOM 0 HB2 SER B 628 3.006 -1.684 9.860 1.00 0.00 H new ATOM 0 HB3 SER B 628 4.074 -3.050 10.111 1.00 0.00 H new ATOM 0 HG SER B 628 4.774 -0.319 9.635 1.00 0.00 H new ATOM 1644 N LEU B 629 1.594 -2.942 7.853 1.00 0.00 N ATOM 1645 CA LEU B 629 0.441 -3.789 7.566 1.00 0.00 C ATOM 1646 C LEU B 629 0.536 -4.384 6.165 1.00 0.00 C ATOM 1647 O LEU B 629 0.358 -5.587 5.978 1.00 0.00 O ATOM 1648 CB LEU B 629 -0.853 -2.984 7.704 1.00 0.00 C ATOM 1649 CG LEU B 629 -2.054 -3.737 8.279 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -3.112 -2.760 8.769 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -2.638 -4.681 7.239 1.00 0.00 C ATOM 0 H LEU B 629 1.359 -1.995 8.151 1.00 0.00 H new ATOM 0 HA LEU B 629 0.433 -4.606 8.287 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.654 -2.120 8.338 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -1.126 -2.602 6.720 1.00 0.00 H new ATOM 0 HG LEU B 629 -1.715 -4.329 9.129 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -3.959 -3.314 9.175 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -2.688 -2.124 9.546 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -3.448 -2.141 7.937 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.491 -5.209 7.665 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -2.962 -4.109 6.370 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -1.880 -5.403 6.936 1.00 0.00 H new ATOM 1662 N GLY B 630 0.821 -3.533 5.184 1.00 0.00 N ATOM 1663 CA GLY B 630 0.938 -3.994 3.813 1.00 0.00 C ATOM 1664 C GLY B 630 1.879 -5.174 3.676 1.00 0.00 C ATOM 1665 O GLY B 630 1.564 -6.155 3.004 1.00 0.00 O ATOM 0 H GLY B 630 0.973 -2.533 5.314 1.00 0.00 H new ATOM 0 HA2 GLY B 630 -0.048 -4.275 3.442 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.293 -3.176 3.187 1.00 0.00 H new ATOM 1669 N ALA B 631 3.041 -5.078 4.314 1.00 0.00 N ATOM 1670 CA ALA B 631 4.033 -6.146 4.261 1.00 0.00 C ATOM 1671 C ALA B 631 3.422 -7.482 4.670 1.00 0.00 C ATOM 1672 O ALA B 631 3.807 -8.532 4.157 1.00 0.00 O ATOM 1673 CB ALA B 631 5.219 -5.810 5.152 1.00 0.00 C ATOM 0 H ALA B 631 3.319 -4.272 4.874 1.00 0.00 H new ATOM 0 HA ALA B 631 4.381 -6.235 3.232 1.00 0.00 H new ATOM 0 HB1 ALA B 631 5.951 -6.616 5.102 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.678 -4.882 4.812 1.00 0.00 H new ATOM 0 HB3 ALA B 631 4.879 -5.691 6.181 1.00 0.00 H new ATOM 1679 N GLU B 632 2.471 -7.434 5.597 1.00 0.00 N ATOM 1680 CA GLU B 632 1.809 -8.643 6.074 1.00 0.00 C ATOM 1681 C GLU B 632 1.196 -9.422 4.914 1.00 0.00 C ATOM 1682 O GLU B 632 1.287 -10.649 4.861 1.00 0.00 O ATOM 1683 CB GLU B 632 0.725 -8.289 7.095 1.00 0.00 C ATOM 1684 CG GLU B 632 1.228 -7.428 8.241 1.00 0.00 C ATOM 1685 CD GLU B 632 1.292 -8.184 9.554 1.00 0.00 C ATOM 1686 OE1 GLU B 632 1.839 -9.306 9.567 1.00 0.00 O ATOM 1687 OE2 GLU B 632 0.794 -7.654 10.569 1.00 0.00 O ATOM 0 H GLU B 632 2.142 -6.572 6.032 1.00 0.00 H new ATOM 0 HA GLU B 632 2.559 -9.271 6.554 1.00 0.00 H new ATOM 0 HB2 GLU B 632 -0.085 -7.766 6.586 1.00 0.00 H new ATOM 0 HB3 GLU B 632 0.305 -9.209 7.500 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.220 -7.047 7.996 1.00 0.00 H new ATOM 0 HG3 GLU B 632 0.574 -6.564 8.355 1.00 0.00 H new ATOM 1692 N ILE B 633 0.572 -8.700 3.989 1.00 0.00 N ATOM 1693 CA ILE B 633 -0.056 -9.324 2.831 1.00 0.00 C ATOM 1694 C ILE B 633 0.991 -9.809 1.833 1.00 0.00 C ATOM 1695 O ILE B 633 0.804 -10.829 1.169 1.00 0.00 O ATOM 1696 CB ILE B 633 -1.014 -8.351 2.119 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -2.126 -7.909 3.073 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.604 -9.002 0.877 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.126 -6.422 3.353 1.00 0.00 C ATOM 0 H ILE B 633 0.488 -7.684 4.019 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.625 -10.177 3.201 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.451 -7.470 1.811 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -3.090 -8.191 2.650 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -2.021 -8.448 4.015 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.279 -8.302 0.385 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -0.801 -9.274 0.192 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.156 -9.898 1.163 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -2.940 -6.180 4.036 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -1.176 -6.137 3.805 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -2.262 -5.876 2.419 1.00 0.00 H new ATOM 1710 N ALA B 634 2.093 -9.073 1.734 1.00 0.00 N ATOM 1711 CA ALA B 634 3.171 -9.430 0.821 1.00 0.00 C ATOM 1712 C ALA B 634 3.897 -10.685 1.292 1.00 0.00 C ATOM 1713 O ALA B 634 4.275 -11.536 0.487 1.00 0.00 O ATOM 1714 CB ALA B 634 4.149 -8.273 0.681 1.00 0.00 C ATOM 0 H ALA B 634 2.262 -8.225 2.275 1.00 0.00 H new ATOM 0 HA ALA B 634 2.732 -9.641 -0.154 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.949 -8.554 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.626 -7.400 0.290 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.573 -8.035 1.656 1.00 0.00 H new ATOM 1720 N VAL B 635 4.089 -10.795 2.604 1.00 0.00 N ATOM 1721 CA VAL B 635 4.769 -11.946 3.183 1.00 0.00 C ATOM 1722 C VAL B 635 3.844 -13.157 3.248 1.00 0.00 C ATOM 1723 O VAL B 635 4.292 -14.298 3.149 1.00 0.00 O ATOM 1724 CB VAL B 635 5.291 -11.636 4.599 1.00 0.00 C ATOM 1725 CG1 VAL B 635 4.132 -11.401 5.555 1.00 0.00 C ATOM 1726 CG2 VAL B 635 6.182 -12.764 5.096 1.00 0.00 C ATOM 0 H VAL B 635 3.783 -10.100 3.285 1.00 0.00 H new ATOM 0 HA VAL B 635 5.614 -12.173 2.533 1.00 0.00 H new ATOM 0 HB VAL B 635 5.887 -10.724 4.557 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.520 -11.183 6.550 1.00 0.00 H new ATOM 0 HG12 VAL B 635 3.537 -10.557 5.205 1.00 0.00 H new ATOM 0 HG13 VAL B 635 3.507 -12.293 5.596 1.00 0.00 H new ATOM 0 HG21 VAL B 635 6.542 -12.529 6.098 1.00 0.00 H new ATOM 0 HG22 VAL B 635 5.612 -13.693 5.124 1.00 0.00 H new ATOM 0 HG23 VAL B 635 7.031 -12.880 4.423 1.00 0.00 H new ATOM 1736 N GLU B 636 2.551 -12.897 3.413 1.00 0.00 N ATOM 1737 CA GLU B 636 1.562 -13.967 3.492 1.00 0.00 C ATOM 1738 C GLU B 636 1.530 -14.773 2.196 1.00 0.00 C ATOM 1739 O GLU B 636 1.646 -15.998 2.214 1.00 0.00 O ATOM 1740 CB GLU B 636 0.175 -13.389 3.781 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.262 -13.552 5.227 1.00 0.00 C ATOM 1742 CD GLU B 636 -1.070 -14.815 5.453 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -0.455 -15.889 5.627 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -2.315 -14.731 5.456 1.00 0.00 O ATOM 0 H GLU B 636 2.164 -11.957 3.494 1.00 0.00 H new ATOM 0 HA GLU B 636 1.847 -14.632 4.307 1.00 0.00 H new ATOM 0 HB2 GLU B 636 0.172 -12.329 3.526 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.554 -13.875 3.133 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.619 -13.569 5.869 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -0.856 -12.687 5.523 1.00 0.00 H new ATOM 1749 N GLN B 637 1.372 -14.075 1.077 1.00 0.00 N ATOM 1750 CA GLN B 637 1.322 -14.727 -0.227 1.00 0.00 C ATOM 1751 C GLN B 637 2.608 -15.499 -0.500 1.00 0.00 C ATOM 1752 O GLN B 637 2.603 -16.504 -1.210 1.00 0.00 O ATOM 1753 CB GLN B 637 1.093 -13.691 -1.330 1.00 0.00 C ATOM 1754 CG GLN B 637 2.347 -12.925 -1.716 1.00 0.00 C ATOM 1755 CD GLN B 637 3.097 -13.575 -2.862 1.00 0.00 C ATOM 1756 OE1 GLN B 637 4.390 -13.806 -2.669 1.00 0.00 O flip ATOM 1757 NE2 GLN B 637 2.520 -13.865 -3.911 1.00 0.00 N flip ATOM 0 H GLN B 637 1.276 -13.060 1.046 1.00 0.00 H new ATOM 0 HA GLN B 637 0.491 -15.432 -0.220 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.699 -14.194 -2.213 1.00 0.00 H new ATOM 0 HB3 GLN B 637 0.332 -12.983 -1.000 1.00 0.00 H new ATOM 0 HG2 GLN B 637 2.075 -11.907 -1.995 1.00 0.00 H new ATOM 0 HG3 GLN B 637 3.005 -12.853 -0.850 1.00 0.00 H new ATOM 0 HE21 GLN B 637 1.524 -13.670 -4.016 1.00 0.00 H new ATOM 0 HE22 GLN B 637 3.038 -14.301 -4.674 1.00 0.00 H new ATOM 1764 N ALA B 638 3.710 -15.023 0.071 1.00 0.00 N ATOM 1765 CA ALA B 638 5.004 -15.669 -0.109 1.00 0.00 C ATOM 1766 C ALA B 638 4.976 -17.105 0.403 1.00 0.00 C ATOM 1767 O ALA B 638 5.712 -17.963 -0.084 1.00 0.00 O ATOM 1768 CB ALA B 638 6.093 -14.876 0.597 1.00 0.00 C ATOM 0 H ALA B 638 3.732 -14.192 0.662 1.00 0.00 H new ATOM 0 HA ALA B 638 5.224 -15.695 -1.176 1.00 0.00 H new ATOM 0 HB1 ALA B 638 7.054 -15.370 0.454 1.00 0.00 H new ATOM 0 HB2 ALA B 638 6.137 -13.869 0.181 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.869 -14.819 1.662 1.00 0.00 H new ATOM 1774 N ALA B 639 4.122 -17.360 1.390 1.00 0.00 N ATOM 1775 CA ALA B 639 3.998 -18.693 1.967 1.00 0.00 C ATOM 1776 C ALA B 639 3.101 -19.580 1.111 1.00 0.00 C ATOM 1777 O ALA B 639 3.162 -20.807 1.196 1.00 0.00 O ATOM 1778 CB ALA B 639 3.457 -18.603 3.386 1.00 0.00 C ATOM 0 H ALA B 639 3.506 -16.661 1.806 1.00 0.00 H new ATOM 0 HA ALA B 639 4.989 -19.145 1.995 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.369 -19.605 3.806 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.138 -18.011 3.998 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.476 -18.128 3.372 1.00 0.00 H new ATOM 1784 N LEU B 640 2.270 -18.953 0.287 1.00 0.00 N ATOM 1785 CA LEU B 640 1.359 -19.687 -0.585 1.00 0.00 C ATOM 1786 C LEU B 640 1.838 -19.642 -2.033 1.00 0.00 C ATOM 1787 O LEU B 640 1.037 -19.713 -2.964 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.052 -19.108 -0.485 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.582 -18.872 0.930 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -1.864 -18.054 0.890 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.815 -20.198 1.639 1.00 0.00 C ATOM 0 H LEU B 640 2.208 -17.938 0.204 1.00 0.00 H new ATOM 0 HA LEU B 640 1.342 -20.727 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.073 -18.160 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -0.737 -19.781 -1.000 1.00 0.00 H new ATOM 0 HG LEU B 640 0.166 -18.310 1.489 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.227 -17.896 1.906 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.666 -17.090 0.421 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.619 -18.589 0.314 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -1.192 -20.012 2.645 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.544 -20.786 1.081 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.124 -20.748 1.700 1.00 0.00 H new ATOM 1802 N GLN B 641 3.150 -19.527 -2.214 1.00 0.00 N ATOM 1803 CA GLN B 641 3.735 -19.475 -3.549 1.00 0.00 C ATOM 1804 C GLN B 641 3.348 -20.706 -4.361 1.00 0.00 C ATOM 1805 O GLN B 641 3.318 -20.665 -5.591 1.00 0.00 O ATOM 1806 CB GLN B 641 5.258 -19.369 -3.456 1.00 0.00 C ATOM 1807 CG GLN B 641 5.749 -17.987 -3.058 1.00 0.00 C ATOM 1808 CD GLN B 641 5.725 -17.003 -4.212 1.00 0.00 C ATOM 1809 OE1 GLN B 641 4.582 -16.357 -4.416 1.00 0.00 O flip ATOM 1810 NE2 GLN B 641 6.722 -16.825 -4.912 1.00 0.00 N flip ATOM 0 H GLN B 641 3.827 -19.468 -1.454 1.00 0.00 H new ATOM 0 HA GLN B 641 3.346 -18.592 -4.055 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.621 -20.097 -2.730 1.00 0.00 H new ATOM 0 HB3 GLN B 641 5.692 -19.636 -4.420 1.00 0.00 H new ATOM 0 HG2 GLN B 641 5.129 -17.605 -2.247 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.766 -18.064 -2.673 1.00 0.00 H new ATOM 0 HE21 GLN B 641 7.579 -17.343 -4.719 1.00 0.00 H new ATOM 0 HE22 GLN B 641 6.691 -16.160 -5.684 1.00 0.00 H new ATOM 1817 N SER B 642 3.051 -21.799 -3.665 1.00 0.00 N ATOM 1818 CA SER B 642 2.670 -23.043 -4.323 1.00 0.00 C ATOM 1819 C SER B 642 1.153 -23.145 -4.453 1.00 0.00 C ATOM 1820 O SER B 642 0.606 -24.234 -4.631 1.00 0.00 O ATOM 1821 CB SER B 642 3.208 -24.244 -3.542 1.00 0.00 C ATOM 1822 OG SER B 642 4.220 -24.915 -4.270 1.00 0.00 O ATOM 0 H SER B 642 3.067 -21.848 -2.646 1.00 0.00 H new ATOM 0 HA SER B 642 3.105 -23.045 -5.323 1.00 0.00 H new ATOM 0 HB2 SER B 642 3.606 -23.910 -2.584 1.00 0.00 H new ATOM 0 HB3 SER B 642 2.393 -24.935 -3.325 1.00 0.00 H new ATOM 0 HG SER B 642 4.548 -25.677 -3.748 1.00 0.00 H new ATOM 1827 N ALA B 643 0.480 -22.003 -4.365 1.00 0.00 N ATOM 1828 CA ALA B 643 -0.973 -21.962 -4.475 1.00 0.00 C ATOM 1829 C ALA B 643 -1.411 -21.096 -5.651 1.00 0.00 C ATOM 1830 O ALA B 643 -2.445 -21.349 -6.270 1.00 0.00 O ATOM 1831 CB ALA B 643 -1.586 -21.448 -3.181 1.00 0.00 C ATOM 0 H ALA B 643 0.918 -21.094 -4.218 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.328 -22.977 -4.654 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -2.671 -21.423 -3.278 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.310 -22.109 -2.360 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.216 -20.443 -2.977 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.619 -20.073 -5.953 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.926 -19.168 -7.054 1.00 0.00 C ATOM 1839 C TRP B 644 -1.189 -19.945 -8.340 1.00 0.00 C ATOM 1840 O TRP B 644 -0.556 -20.969 -8.597 1.00 0.00 O ATOM 1841 CB TRP B 644 0.224 -18.182 -7.266 1.00 0.00 C ATOM 1842 CG TRP B 644 -0.189 -16.935 -7.987 1.00 0.00 C ATOM 1843 CD1 TRP B 644 -0.290 -16.764 -9.339 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.554 -15.684 -7.396 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.696 -15.482 -9.623 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.866 -14.799 -8.447 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.650 -15.224 -6.079 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -1.265 -13.485 -8.220 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.046 -13.918 -5.856 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.350 -13.062 -6.923 1.00 0.00 C ATOM 0 H TRP B 644 0.240 -19.850 -5.451 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.828 -18.614 -6.795 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.644 -17.911 -6.297 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.016 -18.674 -7.830 1.00 0.00 H new ATOM 0 HD1 TRP B 644 -0.081 -17.525 -10.076 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.846 -15.101 -10.557 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.419 -15.877 -5.251 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.499 -12.823 -9.040 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.122 -13.552 -4.843 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.658 -12.048 -6.716 1.00 0.00 H new ATOM 1860 N GLN B 645 -2.126 -19.452 -9.143 1.00 0.00 N ATOM 1861 CA GLN B 645 -2.472 -20.101 -10.401 1.00 0.00 C ATOM 1862 C GLN B 645 -1.684 -19.499 -11.560 1.00 0.00 C ATOM 1863 O GLN B 645 -0.992 -20.208 -12.288 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.972 -19.976 -10.669 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.838 -20.613 -9.595 1.00 0.00 C ATOM 1866 CD GLN B 645 -4.846 -22.126 -9.672 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -5.601 -22.716 -10.445 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -4.003 -22.765 -8.869 1.00 0.00 N ATOM 0 H GLN B 645 -2.659 -18.605 -8.945 1.00 0.00 H new ATOM 0 HA GLN B 645 -2.212 -21.156 -10.319 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -4.231 -18.920 -10.753 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -4.201 -20.438 -11.629 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -4.478 -20.305 -8.613 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -5.859 -20.243 -9.690 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.395 -22.237 -8.244 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -3.964 -23.784 -8.878 1.00 0.00 H new ATOM 1875 N GLY B 646 -1.795 -18.184 -11.725 1.00 0.00 N ATOM 1876 CA GLY B 646 -1.089 -17.509 -12.796 1.00 0.00 C ATOM 1877 C GLY B 646 -1.926 -17.380 -14.053 1.00 0.00 C ATOM 1878 O GLY B 646 -1.648 -16.542 -14.911 1.00 0.00 O ATOM 0 H GLY B 646 -2.362 -17.575 -11.135 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -0.789 -16.516 -12.460 1.00 0.00 H new ATOM 0 HA3 GLY B 646 -0.175 -18.057 -13.026 1.00 0.00 H new ATOM 1882 N ASP B 647 -2.956 -18.212 -14.163 1.00 0.00 N ATOM 1883 CA ASP B 647 -3.838 -18.189 -15.325 1.00 0.00 C ATOM 1884 C ASP B 647 -5.082 -17.352 -15.046 1.00 0.00 C ATOM 1885 O ASP B 647 -6.138 -17.572 -15.639 1.00 0.00 O ATOM 1886 CB ASP B 647 -4.242 -19.611 -15.714 1.00 0.00 C ATOM 1887 CG ASP B 647 -3.097 -20.596 -15.581 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -2.068 -20.405 -16.261 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -3.230 -21.557 -14.794 1.00 0.00 O ATOM 0 H ASP B 647 -3.201 -18.911 -13.462 1.00 0.00 H new ATOM 0 HA ASP B 647 -3.295 -17.735 -16.154 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -5.071 -19.935 -15.085 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -4.603 -19.614 -16.743 1.00 0.00 H new ATOM 1893 N THR B 648 -4.950 -16.389 -14.137 1.00 0.00 N ATOM 1894 CA THR B 648 -6.063 -15.520 -13.777 1.00 0.00 C ATOM 1895 C THR B 648 -5.757 -14.065 -14.116 1.00 0.00 C ATOM 1896 O THR B 648 -6.659 -13.285 -14.415 1.00 0.00 O ATOM 1897 CB THR B 648 -6.396 -15.627 -12.277 1.00 0.00 C ATOM 1898 OG1 THR B 648 -5.190 -15.734 -11.513 1.00 0.00 O ATOM 1899 CG2 THR B 648 -7.284 -16.832 -12.005 1.00 0.00 C ATOM 0 H THR B 648 -4.083 -16.192 -13.637 1.00 0.00 H new ATOM 0 HA THR B 648 -6.924 -15.852 -14.357 1.00 0.00 H new ATOM 0 HB THR B 648 -6.933 -14.726 -11.981 1.00 0.00 H new ATOM 0 HG1 THR B 648 -5.118 -16.637 -11.140 1.00 0.00 H new ATOM 0 HG21 THR B 648 -7.506 -16.887 -10.939 1.00 0.00 H new ATOM 0 HG22 THR B 648 -8.214 -16.732 -12.565 1.00 0.00 H new ATOM 0 HG23 THR B 648 -6.769 -17.741 -12.316 1.00 0.00 H new ATOM 1907 N GLY B 649 -4.477 -13.708 -14.068 1.00 0.00 N ATOM 1908 CA GLY B 649 -4.075 -12.347 -14.373 1.00 0.00 C ATOM 1909 C GLY B 649 -2.653 -12.052 -13.939 1.00 0.00 C ATOM 1910 O GLY B 649 -1.702 -12.353 -14.661 1.00 0.00 O ATOM 0 H GLY B 649 -3.712 -14.337 -13.824 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -4.167 -12.176 -15.446 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.754 -11.652 -13.880 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.507 -11.460 -12.758 1.00 0.00 N ATOM 1915 CA ILE B 650 -1.190 -11.124 -12.231 1.00 0.00 C ATOM 1916 C ILE B 650 -0.424 -12.378 -11.825 1.00 0.00 C ATOM 1917 O ILE B 650 -1.001 -13.329 -11.299 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.295 -10.183 -11.016 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -2.002 -8.884 -11.407 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.088 -9.891 -10.452 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -2.143 -7.905 -10.263 1.00 0.00 C ATOM 0 H ILE B 650 -3.284 -11.203 -12.149 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.650 -10.615 -13.029 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.885 -10.676 -10.244 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.448 -8.408 -12.216 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.992 -9.122 -11.795 1.00 0.00 H new ATOM 0 HG21 ILE B 650 -0.002 -9.225 -9.594 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.558 -10.824 -10.140 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.700 -9.415 -11.218 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.653 -7.008 -10.613 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.723 -8.363 -9.462 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -1.155 -7.638 -9.889 1.00 0.00 H new ATOM 1932 N THR B 651 0.883 -12.372 -12.072 1.00 0.00 N ATOM 1933 CA THR B 651 1.730 -13.508 -11.733 1.00 0.00 C ATOM 1934 C THR B 651 2.304 -13.365 -10.328 1.00 0.00 C ATOM 1935 O THR B 651 2.277 -12.283 -9.743 1.00 0.00 O ATOM 1936 CB THR B 651 2.888 -13.666 -12.735 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.654 -12.847 -13.887 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.042 -15.117 -13.162 1.00 0.00 C ATOM 0 H THR B 651 1.377 -11.592 -12.506 1.00 0.00 H new ATOM 0 HA THR B 651 1.099 -14.396 -11.777 1.00 0.00 H new ATOM 0 HB THR B 651 3.808 -13.349 -12.244 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.396 -12.952 -14.519 1.00 0.00 H new ATOM 0 HG21 THR B 651 3.866 -15.202 -13.870 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.249 -15.734 -12.287 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.121 -15.457 -13.635 1.00 0.00 H new ATOM 1946 N TYR B 652 2.825 -14.464 -9.792 1.00 0.00 N ATOM 1947 CA TYR B 652 3.405 -14.460 -8.454 1.00 0.00 C ATOM 1948 C TYR B 652 4.562 -13.471 -8.365 1.00 0.00 C ATOM 1949 O TYR B 652 4.704 -12.755 -7.374 1.00 0.00 O ATOM 1950 CB TYR B 652 3.889 -15.863 -8.082 1.00 0.00 C ATOM 1951 CG TYR B 652 4.962 -16.398 -9.003 1.00 0.00 C ATOM 1952 CD1 TYR B 652 4.631 -17.057 -10.180 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.309 -16.242 -8.697 1.00 0.00 C ATOM 1954 CE1 TYR B 652 5.609 -17.547 -11.025 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.293 -16.727 -9.536 1.00 0.00 C ATOM 1956 CZ TYR B 652 6.938 -17.380 -10.697 1.00 0.00 C ATOM 1957 OH TYR B 652 7.916 -17.865 -11.536 1.00 0.00 O ATOM 0 H TYR B 652 2.857 -15.368 -10.263 1.00 0.00 H new ATOM 0 HA TYR B 652 2.632 -14.151 -7.751 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.273 -15.847 -7.062 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.039 -16.546 -8.093 1.00 0.00 H new ATOM 0 HD1 TYR B 652 3.591 -17.189 -10.440 1.00 0.00 H new ATOM 0 HD2 TYR B 652 6.591 -15.733 -7.787 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.334 -18.057 -11.936 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.335 -16.595 -9.284 1.00 0.00 H new ATOM 0 HH TYR B 652 8.799 -17.664 -11.160 1.00 0.00 H new ATOM 1966 N GLN B 653 5.385 -13.437 -9.408 1.00 0.00 N ATOM 1967 CA GLN B 653 6.531 -12.535 -9.448 1.00 0.00 C ATOM 1968 C GLN B 653 6.084 -11.099 -9.700 1.00 0.00 C ATOM 1969 O GLN B 653 6.579 -10.165 -9.070 1.00 0.00 O ATOM 1970 CB GLN B 653 7.514 -12.974 -10.533 1.00 0.00 C ATOM 1971 CG GLN B 653 6.895 -13.057 -11.919 1.00 0.00 C ATOM 1972 CD GLN B 653 7.454 -14.202 -12.741 1.00 0.00 C ATOM 1973 OE1 GLN B 653 6.574 -15.072 -13.220 1.00 0.00 O flip ATOM 1974 NE2 GLN B 653 8.664 -14.303 -12.942 1.00 0.00 N flip ATOM 0 H GLN B 653 5.280 -14.023 -10.236 1.00 0.00 H new ATOM 0 HA GLN B 653 7.029 -12.576 -8.479 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.350 -12.274 -10.559 1.00 0.00 H new ATOM 0 HB3 GLN B 653 7.923 -13.949 -10.268 1.00 0.00 H new ATOM 0 HG2 GLN B 653 5.816 -13.176 -11.824 1.00 0.00 H new ATOM 0 HG3 GLN B 653 7.067 -12.119 -12.446 1.00 0.00 H new ATOM 0 HE21 GLN B 653 9.305 -13.611 -12.554 1.00 0.00 H new ATOM 0 HE22 GLN B 653 9.026 -15.079 -13.496 1.00 0.00 H new ATOM 1981 N ALA B 654 5.146 -10.930 -10.626 1.00 0.00 N ATOM 1982 CA ALA B 654 4.632 -9.608 -10.962 1.00 0.00 C ATOM 1983 C ALA B 654 3.921 -8.977 -9.769 1.00 0.00 C ATOM 1984 O ALA B 654 4.058 -7.781 -9.515 1.00 0.00 O ATOM 1985 CB ALA B 654 3.691 -9.694 -12.153 1.00 0.00 C ATOM 0 H ALA B 654 4.726 -11.693 -11.157 1.00 0.00 H new ATOM 0 HA ALA B 654 5.478 -8.973 -11.227 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.315 -8.699 -12.392 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.228 -10.096 -13.013 1.00 0.00 H new ATOM 0 HB3 ALA B 654 2.855 -10.349 -11.909 1.00 0.00 H new ATOM 1991 N TRP B 655 3.164 -9.789 -9.041 1.00 0.00 N ATOM 1992 CA TRP B 655 2.431 -9.309 -7.874 1.00 0.00 C ATOM 1993 C TRP B 655 3.389 -8.881 -6.768 1.00 0.00 C ATOM 1994 O TRP B 655 3.282 -7.777 -6.235 1.00 0.00 O ATOM 1995 CB TRP B 655 1.486 -10.395 -7.356 1.00 0.00 C ATOM 1996 CG TRP B 655 0.508 -9.895 -6.338 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.802 -9.573 -6.549 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.762 -9.660 -4.948 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.378 -9.149 -5.375 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.439 -9.195 -4.378 1.00 0.00 C ATOM 2001 CE3 TRP B 655 1.887 -9.797 -4.130 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.545 -8.868 -3.029 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.780 -9.472 -2.791 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.572 -9.013 -2.251 1.00 0.00 C ATOM 0 H TRP B 655 3.041 -10.782 -9.237 1.00 0.00 H new ATOM 0 HA TRP B 655 1.844 -8.442 -8.176 1.00 0.00 H new ATOM 0 HB2 TRP B 655 0.938 -10.821 -8.197 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.075 -11.201 -6.918 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.311 -9.641 -7.499 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.347 -8.849 -5.264 1.00 0.00 H new ATOM 0 HE3 TRP B 655 2.823 -10.150 -4.537 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.475 -8.513 -2.611 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.643 -9.574 -2.150 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.521 -8.769 -1.200 1.00 0.00 H new ATOM 2014 N GLN B 656 4.324 -9.763 -6.426 1.00 0.00 N ATOM 2015 CA GLN B 656 5.300 -9.475 -5.383 1.00 0.00 C ATOM 2016 C GLN B 656 6.000 -8.146 -5.644 1.00 0.00 C ATOM 2017 O GLN B 656 6.420 -7.461 -4.712 1.00 0.00 O ATOM 2018 CB GLN B 656 6.332 -10.601 -5.296 1.00 0.00 C ATOM 2019 CG GLN B 656 5.852 -11.808 -4.505 1.00 0.00 C ATOM 2020 CD GLN B 656 6.984 -12.545 -3.820 1.00 0.00 C ATOM 2021 OE1 GLN B 656 7.378 -13.633 -4.241 1.00 0.00 O ATOM 2022 NE2 GLN B 656 7.516 -11.955 -2.755 1.00 0.00 N ATOM 0 H GLN B 656 4.425 -10.682 -6.856 1.00 0.00 H new ATOM 0 HA GLN B 656 4.769 -9.404 -4.434 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.595 -10.920 -6.305 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.241 -10.214 -4.836 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.130 -11.483 -3.756 1.00 0.00 H new ATOM 0 HG3 GLN B 656 5.331 -12.492 -5.174 1.00 0.00 H new ATOM 0 HE21 GLN B 656 7.159 -11.053 -2.440 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.282 -12.404 -2.252 1.00 0.00 H new ATOM 2029 N ALA B 657 6.125 -7.789 -6.918 1.00 0.00 N ATOM 2030 CA ALA B 657 6.774 -6.542 -7.302 1.00 0.00 C ATOM 2031 C ALA B 657 5.756 -5.416 -7.449 1.00 0.00 C ATOM 2032 O ALA B 657 6.100 -4.239 -7.353 1.00 0.00 O ATOM 2033 CB ALA B 657 7.551 -6.728 -8.597 1.00 0.00 C ATOM 0 H ALA B 657 5.785 -8.346 -7.702 1.00 0.00 H new ATOM 0 HA ALA B 657 7.471 -6.265 -6.511 1.00 0.00 H new ATOM 0 HB1 ALA B 657 8.031 -5.788 -8.872 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.311 -7.496 -8.458 1.00 0.00 H new ATOM 0 HB3 ALA B 657 6.868 -7.033 -9.390 1.00 0.00 H new ATOM 2039 N GLN B 658 4.501 -5.787 -7.686 1.00 0.00 N ATOM 2040 CA GLN B 658 3.434 -4.807 -7.849 1.00 0.00 C ATOM 2041 C GLN B 658 3.012 -4.232 -6.501 1.00 0.00 C ATOM 2042 O GLN B 658 2.979 -3.015 -6.318 1.00 0.00 O ATOM 2043 CB GLN B 658 2.230 -5.445 -8.544 1.00 0.00 C ATOM 2044 CG GLN B 658 2.266 -5.322 -10.059 1.00 0.00 C ATOM 2045 CD GLN B 658 0.987 -5.805 -10.714 1.00 0.00 C ATOM 2046 OE1 GLN B 658 -0.033 -5.115 -10.695 1.00 0.00 O ATOM 2047 NE2 GLN B 658 1.034 -6.995 -11.300 1.00 0.00 N ATOM 0 H GLN B 658 4.199 -6.758 -7.769 1.00 0.00 H new ATOM 0 HA GLN B 658 3.813 -3.993 -8.467 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.183 -6.500 -8.275 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.317 -4.980 -8.172 1.00 0.00 H new ATOM 0 HG2 GLN B 658 2.438 -4.281 -10.331 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.108 -5.896 -10.447 1.00 0.00 H new ATOM 0 HE21 GLN B 658 1.900 -7.533 -11.292 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.204 -7.371 -11.758 1.00 0.00 H new ATOM 2054 N TRP B 659 2.690 -5.114 -5.562 1.00 0.00 N ATOM 2055 CA TRP B 659 2.270 -4.694 -4.230 1.00 0.00 C ATOM 2056 C TRP B 659 3.323 -3.798 -3.584 1.00 0.00 C ATOM 2057 O TRP B 659 3.002 -2.749 -3.029 1.00 0.00 O ATOM 2058 CB TRP B 659 2.009 -5.914 -3.346 1.00 0.00 C ATOM 2059 CG TRP B 659 1.555 -5.559 -1.963 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.340 -5.165 -0.917 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.209 -5.569 -1.475 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.563 -4.929 0.191 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.252 -5.168 -0.125 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -1.030 -5.874 -2.048 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.895 -5.067 0.659 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -2.166 -5.774 -1.269 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -2.094 -5.372 0.072 1.00 0.00 C ATOM 0 H TRP B 659 2.712 -6.125 -5.698 1.00 0.00 H new ATOM 0 HA TRP B 659 1.347 -4.124 -4.331 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.253 -6.541 -3.819 1.00 0.00 H new ATOM 0 HB3 TRP B 659 2.921 -6.508 -3.280 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.414 -5.055 -0.955 1.00 0.00 H new ATOM 0 HE1 TRP B 659 1.907 -4.625 1.102 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -1.097 -6.182 -3.081 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.841 -4.759 1.693 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -3.127 -6.010 -1.701 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -3.001 -5.301 0.653 1.00 0.00 H new ATOM 2077 N ASN B 660 4.581 -4.221 -3.663 1.00 0.00 N ATOM 2078 CA ASN B 660 5.680 -3.456 -3.085 1.00 0.00 C ATOM 2079 C ASN B 660 5.781 -2.077 -3.729 1.00 0.00 C ATOM 2080 O ASN B 660 5.706 -1.056 -3.046 1.00 0.00 O ATOM 2081 CB ASN B 660 7.000 -4.211 -3.259 1.00 0.00 C ATOM 2082 CG ASN B 660 8.034 -3.813 -2.224 1.00 0.00 C ATOM 2083 OD1 ASN B 660 8.501 -2.674 -2.202 1.00 0.00 O ATOM 2084 ND2 ASN B 660 8.398 -4.752 -1.359 1.00 0.00 N ATOM 0 H ASN B 660 4.864 -5.088 -4.121 1.00 0.00 H new ATOM 0 HA ASN B 660 5.480 -3.326 -2.021 1.00 0.00 H new ATOM 0 HB2 ASN B 660 6.814 -5.283 -3.190 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.396 -4.020 -4.256 1.00 0.00 H new ATOM 0 HD21 ASN B 660 9.090 -4.542 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN B 660 7.985 -5.683 -1.413 1.00 0.00 H new ATOM 2090 N GLN B 661 5.953 -2.056 -5.046 1.00 0.00 N ATOM 2091 CA GLN B 661 6.064 -0.803 -5.782 1.00 0.00 C ATOM 2092 C GLN B 661 4.871 0.104 -5.497 1.00 0.00 C ATOM 2093 O GLN B 661 5.018 1.320 -5.374 1.00 0.00 O ATOM 2094 CB GLN B 661 6.165 -1.075 -7.284 1.00 0.00 C ATOM 2095 CG GLN B 661 7.516 -1.622 -7.713 1.00 0.00 C ATOM 2096 CD GLN B 661 8.655 -0.666 -7.418 1.00 0.00 C ATOM 2097 OE1 GLN B 661 8.522 0.547 -7.591 1.00 0.00 O ATOM 2098 NE2 GLN B 661 9.783 -1.205 -6.971 1.00 0.00 N ATOM 0 H GLN B 661 6.019 -2.893 -5.626 1.00 0.00 H new ATOM 0 HA GLN B 661 6.970 -0.296 -5.450 1.00 0.00 H new ATOM 0 HB2 GLN B 661 5.388 -1.784 -7.570 1.00 0.00 H new ATOM 0 HB3 GLN B 661 5.968 -0.150 -7.826 1.00 0.00 H new ATOM 0 HG2 GLN B 661 7.699 -2.567 -7.202 1.00 0.00 H new ATOM 0 HG3 GLN B 661 7.494 -1.836 -8.782 1.00 0.00 H new ATOM 0 HE21 GLN B 661 9.850 -2.215 -6.842 1.00 0.00 H new ATOM 0 HE22 GLN B 661 10.583 -0.609 -6.756 1.00 0.00 H new ATOM 2105 N ALA B 662 3.690 -0.496 -5.394 1.00 0.00 N ATOM 2106 CA ALA B 662 2.472 0.256 -5.121 1.00 0.00 C ATOM 2107 C ALA B 662 2.493 0.845 -3.715 1.00 0.00 C ATOM 2108 O ALA B 662 2.321 2.050 -3.534 1.00 0.00 O ATOM 2109 CB ALA B 662 1.250 -0.631 -5.306 1.00 0.00 C ATOM 0 H ALA B 662 3.551 -1.501 -5.496 1.00 0.00 H new ATOM 0 HA ALA B 662 2.418 1.081 -5.831 1.00 0.00 H new ATOM 0 HB1 ALA B 662 0.348 -0.055 -5.099 1.00 0.00 H new ATOM 0 HB2 ALA B 662 1.219 -0.998 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.307 -1.476 -4.620 1.00 0.00 H new ATOM 2115 N MET B 663 2.705 -0.013 -2.723 1.00 0.00 N ATOM 2116 CA MET B 663 2.749 0.424 -1.332 1.00 0.00 C ATOM 2117 C MET B 663 3.721 1.585 -1.157 1.00 0.00 C ATOM 2118 O MET B 663 3.449 2.527 -0.413 1.00 0.00 O ATOM 2119 CB MET B 663 3.155 -0.738 -0.423 1.00 0.00 C ATOM 2120 CG MET B 663 2.017 -1.262 0.438 1.00 0.00 C ATOM 2121 SD MET B 663 2.142 -0.728 2.156 1.00 0.00 S ATOM 2122 CE MET B 663 0.425 -0.800 2.659 1.00 0.00 C ATOM 0 H MET B 663 2.849 -1.014 -2.856 1.00 0.00 H new ATOM 0 HA MET B 663 1.752 0.764 -1.052 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.539 -1.552 -1.037 1.00 0.00 H new ATOM 0 HB3 MET B 663 3.970 -0.415 0.224 1.00 0.00 H new ATOM 0 HG2 MET B 663 1.068 -0.922 0.024 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.010 -2.351 0.400 1.00 0.00 H new ATOM 0 HE1 MET B 663 0.051 0.211 2.824 1.00 0.00 H new ATOM 0 HE2 MET B 663 -0.163 -1.281 1.878 1.00 0.00 H new ATOM 0 HE3 MET B 663 0.340 -1.373 3.582 1.00 0.00 H new ATOM 2130 N GLU B 664 4.855 1.511 -1.847 1.00 0.00 N ATOM 2131 CA GLU B 664 5.868 2.557 -1.765 1.00 0.00 C ATOM 2132 C GLU B 664 5.268 3.921 -2.096 1.00 0.00 C ATOM 2133 O GLU B 664 5.359 4.860 -1.304 1.00 0.00 O ATOM 2134 CB GLU B 664 7.025 2.253 -2.719 1.00 0.00 C ATOM 2135 CG GLU B 664 8.268 3.086 -2.453 1.00 0.00 C ATOM 2136 CD GLU B 664 9.533 2.426 -2.965 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.632 1.184 -2.874 1.00 0.00 O ATOM 2138 OE2 GLU B 664 10.424 3.150 -3.455 1.00 0.00 O ATOM 0 H GLU B 664 5.095 0.739 -2.468 1.00 0.00 H new ATOM 0 HA GLU B 664 6.246 2.582 -0.743 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.282 1.197 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.695 2.425 -3.743 1.00 0.00 H new ATOM 0 HG2 GLU B 664 8.155 4.062 -2.926 1.00 0.00 H new ATOM 0 HG3 GLU B 664 8.362 3.260 -1.381 1.00 0.00 H new ATOM 2143 N ASP B 665 4.657 4.023 -3.271 1.00 0.00 N ATOM 2144 CA ASP B 665 4.043 5.272 -3.707 1.00 0.00 C ATOM 2145 C ASP B 665 2.793 5.578 -2.887 1.00 0.00 C ATOM 2146 O ASP B 665 2.427 6.739 -2.703 1.00 0.00 O ATOM 2147 CB ASP B 665 3.687 5.199 -5.193 1.00 0.00 C ATOM 2148 CG ASP B 665 3.350 6.557 -5.775 1.00 0.00 C ATOM 2149 OD1 ASP B 665 3.692 7.577 -5.141 1.00 0.00 O ATOM 2150 OD2 ASP B 665 2.744 6.600 -6.866 1.00 0.00 O ATOM 0 H ASP B 665 4.574 3.256 -3.939 1.00 0.00 H new ATOM 0 HA ASP B 665 4.763 6.075 -3.553 1.00 0.00 H new ATOM 0 HB2 ASP B 665 4.524 4.769 -5.743 1.00 0.00 H new ATOM 0 HB3 ASP B 665 2.838 4.528 -5.328 1.00 0.00 H new ATOM 2154 N LEU B 666 2.140 4.528 -2.399 1.00 0.00 N ATOM 2155 CA LEU B 666 0.930 4.684 -1.599 1.00 0.00 C ATOM 2156 C LEU B 666 1.228 5.424 -0.299 1.00 0.00 C ATOM 2157 O LEU B 666 0.438 6.255 0.150 1.00 0.00 O ATOM 2158 CB LEU B 666 0.319 3.316 -1.292 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.201 3.118 0.132 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -1.421 3.990 0.381 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -0.531 1.653 0.381 1.00 0.00 C ATOM 0 H LEU B 666 2.428 3.560 -2.543 1.00 0.00 H new ATOM 0 HA LEU B 666 0.216 5.273 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU B 666 -0.504 3.144 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU B 666 1.070 2.552 -1.493 1.00 0.00 H new ATOM 0 HG LEU B 666 0.582 3.417 0.829 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.777 3.835 1.400 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -1.153 5.038 0.245 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -2.209 3.723 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -0.900 1.531 1.400 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -1.297 1.328 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU B 666 0.367 1.050 0.245 1.00 0.00 H new ATOM 2172 N VAL B 667 2.375 5.119 0.300 1.00 0.00 N ATOM 2173 CA VAL B 667 2.779 5.758 1.547 1.00 0.00 C ATOM 2174 C VAL B 667 3.223 7.196 1.309 1.00 0.00 C ATOM 2175 O VAL B 667 2.754 8.120 1.974 1.00 0.00 O ATOM 2176 CB VAL B 667 3.925 4.985 2.227 1.00 0.00 C ATOM 2177 CG1 VAL B 667 4.208 5.555 3.609 1.00 0.00 C ATOM 2178 CG2 VAL B 667 3.592 3.503 2.312 1.00 0.00 C ATOM 0 H VAL B 667 3.040 4.434 -0.058 1.00 0.00 H new ATOM 0 HA VAL B 667 1.908 5.754 2.202 1.00 0.00 H new ATOM 0 HB VAL B 667 4.824 5.098 1.622 1.00 0.00 H new ATOM 0 HG11 VAL B 667 5.020 4.996 4.074 1.00 0.00 H new ATOM 0 HG12 VAL B 667 4.494 6.603 3.519 1.00 0.00 H new ATOM 0 HG13 VAL B 667 3.313 5.475 4.226 1.00 0.00 H new ATOM 0 HG21 VAL B 667 4.413 2.973 2.795 1.00 0.00 H new ATOM 0 HG22 VAL B 667 2.680 3.368 2.894 1.00 0.00 H new ATOM 0 HG23 VAL B 667 3.444 3.105 1.308 1.00 0.00 H new ATOM 2188 N ARG B 668 4.130 7.380 0.354 1.00 0.00 N ATOM 2189 CA ARG B 668 4.638 8.708 0.028 1.00 0.00 C ATOM 2190 C ARG B 668 3.499 9.644 -0.367 1.00 0.00 C ATOM 2191 O ARG B 668 3.558 10.848 -0.118 1.00 0.00 O ATOM 2192 CB ARG B 668 5.659 8.622 -1.108 1.00 0.00 C ATOM 2193 CG ARG B 668 6.849 7.731 -0.791 1.00 0.00 C ATOM 2194 CD ARG B 668 7.448 7.131 -2.053 1.00 0.00 C ATOM 2195 NE ARG B 668 7.971 8.158 -2.951 1.00 0.00 N ATOM 2196 CZ ARG B 668 8.407 7.905 -4.180 1.00 0.00 C ATOM 2197 NH1 ARG B 668 8.383 6.667 -4.655 1.00 0.00 N ATOM 2198 NH2 ARG B 668 8.869 8.892 -4.937 1.00 0.00 N ATOM 0 H ARG B 668 4.528 6.627 -0.207 1.00 0.00 H new ATOM 0 HA ARG B 668 5.125 9.111 0.916 1.00 0.00 H new ATOM 0 HB2 ARG B 668 5.163 8.247 -2.003 1.00 0.00 H new ATOM 0 HB3 ARG B 668 6.018 9.625 -1.339 1.00 0.00 H new ATOM 0 HG2 ARG B 668 7.609 8.310 -0.266 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.537 6.931 -0.119 1.00 0.00 H new ATOM 0 HD2 ARG B 668 8.249 6.443 -1.783 1.00 0.00 H new ATOM 0 HD3 ARG B 668 6.689 6.547 -2.573 1.00 0.00 H new ATOM 0 HE ARG B 668 8.003 9.121 -2.616 1.00 0.00 H new ATOM 0 HH11 ARG B 668 8.029 5.905 -4.076 1.00 0.00 H new ATOM 0 HH12 ARG B 668 8.719 6.476 -5.599 1.00 0.00 H new ATOM 0 HH21 ARG B 668 8.889 9.845 -4.575 1.00 0.00 H new ATOM 0 HH22 ARG B 668 9.204 8.697 -5.881 1.00 0.00 H new ATOM 2209 N ALA B 669 2.465 9.081 -0.983 1.00 0.00 N ATOM 2210 CA ALA B 669 1.313 9.864 -1.410 1.00 0.00 C ATOM 2211 C ALA B 669 0.699 10.624 -0.238 1.00 0.00 C ATOM 2212 O ALA B 669 0.413 11.817 -0.340 1.00 0.00 O ATOM 2213 CB ALA B 669 0.273 8.963 -2.060 1.00 0.00 C ATOM 0 H ALA B 669 2.402 8.086 -1.197 1.00 0.00 H new ATOM 0 HA ALA B 669 1.654 10.594 -2.144 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.582 9.562 -2.374 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.710 8.471 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.055 8.210 -1.343 1.00 0.00 H new ATOM 2219 N TYR B 670 0.497 9.924 0.873 1.00 0.00 N ATOM 2220 CA TYR B 670 -0.085 10.531 2.063 1.00 0.00 C ATOM 2221 C TYR B 670 0.921 11.443 2.758 1.00 0.00 C ATOM 2222 O TYR B 670 0.551 12.451 3.362 1.00 0.00 O ATOM 2223 CB TYR B 670 -0.564 9.448 3.032 1.00 0.00 C ATOM 2224 CG TYR B 670 -0.987 9.987 4.380 1.00 0.00 C ATOM 2225 CD1 TYR B 670 -0.062 10.159 5.402 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -2.312 10.321 4.632 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -0.444 10.649 6.636 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -2.702 10.813 5.863 1.00 0.00 C ATOM 2229 CZ TYR B 670 -1.765 10.975 6.861 1.00 0.00 C ATOM 2230 OH TYR B 670 -2.151 11.465 8.088 1.00 0.00 O ATOM 0 H TYR B 670 0.728 8.936 0.974 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.938 11.133 1.752 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -1.403 8.916 2.583 1.00 0.00 H new ATOM 0 HB3 TYR B 670 0.235 8.721 3.175 1.00 0.00 H new ATOM 0 HD1 TYR B 670 0.973 9.905 5.229 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -3.049 10.194 3.853 1.00 0.00 H new ATOM 0 HE1 TYR B 670 0.288 10.776 7.420 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -3.736 11.069 6.042 1.00 0.00 H new ATOM 0 HH TYR B 670 -3.114 11.645 8.080 1.00 0.00 H new ATOM 2239 N HIS B 671 2.197 11.081 2.669 1.00 0.00 N ATOM 2240 CA HIS B 671 3.260 11.867 3.288 1.00 0.00 C ATOM 2241 C HIS B 671 3.437 13.201 2.570 1.00 0.00 C ATOM 2242 O HIS B 671 3.960 14.159 3.140 1.00 0.00 O ATOM 2243 CB HIS B 671 4.575 11.086 3.271 1.00 0.00 C ATOM 2244 CG HIS B 671 5.715 11.823 3.904 1.00 0.00 C ATOM 2245 ND1 HIS B 671 6.814 12.262 3.193 1.00 0.00 N ATOM 2246 CD2 HIS B 671 5.925 12.199 5.186 1.00 0.00 C ATOM 2247 CE1 HIS B 671 7.648 12.874 4.013 1.00 0.00 C ATOM 2248 NE2 HIS B 671 7.132 12.850 5.229 1.00 0.00 N ATOM 0 H HIS B 671 2.520 10.249 2.175 1.00 0.00 H new ATOM 0 HA HIS B 671 2.977 12.066 4.322 1.00 0.00 H new ATOM 0 HB2 HIS B 671 4.432 10.138 3.790 1.00 0.00 H new ATOM 0 HB3 HIS B 671 4.834 10.849 2.239 1.00 0.00 H new ATOM 0 HD2 HIS B 671 5.265 12.020 6.022 1.00 0.00 H new ATOM 0 HE1 HIS B 671 8.592 13.319 3.737 1.00 0.00 H new ATOM 0 HE2 HIS B 671 7.561 13.250 6.063 1.00 0.00 H new ATOM 2255 N ALA B 672 2.999 13.257 1.316 1.00 0.00 N ATOM 2256 CA ALA B 672 3.108 14.475 0.523 1.00 0.00 C ATOM 2257 C ALA B 672 2.504 15.666 1.258 1.00 0.00 C ATOM 2258 O ALA B 672 3.056 16.766 1.235 1.00 0.00 O ATOM 2259 CB ALA B 672 2.431 14.286 -0.828 1.00 0.00 C ATOM 0 H ALA B 672 2.566 12.473 0.828 1.00 0.00 H new ATOM 0 HA ALA B 672 4.166 14.681 0.362 1.00 0.00 H new ATOM 0 HB1 ALA B 672 2.519 15.203 -1.411 1.00 0.00 H new ATOM 0 HB2 ALA B 672 2.911 13.468 -1.364 1.00 0.00 H new ATOM 0 HB3 ALA B 672 1.377 14.052 -0.677 1.00 0.00 H new ATOM 2265 N MET B 673 1.367 15.439 1.908 1.00 0.00 N ATOM 2266 CA MET B 673 0.689 16.495 2.650 1.00 0.00 C ATOM 2267 C MET B 673 1.541 16.968 3.824 1.00 0.00 C ATOM 2268 O MET B 673 1.648 18.167 4.083 1.00 0.00 O ATOM 2269 CB MET B 673 -0.668 16.002 3.157 1.00 0.00 C ATOM 2270 CG MET B 673 -1.393 17.010 4.032 1.00 0.00 C ATOM 2271 SD MET B 673 -3.004 16.419 4.585 1.00 0.00 S ATOM 2272 CE MET B 673 -2.535 14.929 5.462 1.00 0.00 C ATOM 0 H MET B 673 0.897 14.534 1.936 1.00 0.00 H new ATOM 0 HA MET B 673 0.533 17.336 1.974 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.298 15.756 2.302 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.523 15.081 3.722 1.00 0.00 H new ATOM 0 HG2 MET B 673 -0.777 17.240 4.901 1.00 0.00 H new ATOM 0 HG3 MET B 673 -1.522 17.940 3.478 1.00 0.00 H new ATOM 0 HE1 MET B 673 -3.340 14.634 6.135 1.00 0.00 H new ATOM 0 HE2 MET B 673 -2.349 14.129 4.746 1.00 0.00 H new ATOM 0 HE3 MET B 673 -1.630 15.117 6.040 1.00 0.00 H new ATOM 2280 N SER B 674 2.147 16.019 4.531 1.00 0.00 N ATOM 2281 CA SER B 674 2.985 16.339 5.680 1.00 0.00 C ATOM 2282 C SER B 674 4.394 16.721 5.233 1.00 0.00 C ATOM 2283 O SER B 674 5.259 17.016 6.058 1.00 0.00 O ATOM 2284 CB SER B 674 3.048 15.149 6.640 1.00 0.00 C ATOM 2285 OG SER B 674 2.000 14.231 6.381 1.00 0.00 O ATOM 0 H SER B 674 2.073 15.022 4.328 1.00 0.00 H new ATOM 0 HA SER B 674 2.542 17.190 6.197 1.00 0.00 H new ATOM 0 HB2 SER B 674 4.010 14.646 6.539 1.00 0.00 H new ATOM 0 HB3 SER B 674 2.980 15.503 7.669 1.00 0.00 H new ATOM 0 HG SER B 674 2.062 13.479 7.006 1.00 0.00 H new ATOM 2290 N SER B 675 4.615 16.712 3.923 1.00 0.00 N ATOM 2291 CA SER B 675 5.919 17.053 3.367 1.00 0.00 C ATOM 2292 C SER B 675 6.340 18.458 3.790 1.00 0.00 C ATOM 2293 O SER B 675 7.527 18.783 3.812 1.00 0.00 O ATOM 2294 CB SER B 675 5.886 16.957 1.840 1.00 0.00 C ATOM 2295 OG SER B 675 7.197 16.927 1.302 1.00 0.00 O ATOM 0 H SER B 675 3.909 16.473 3.227 1.00 0.00 H new ATOM 0 HA SER B 675 6.649 16.342 3.754 1.00 0.00 H new ATOM 0 HB2 SER B 675 5.346 16.059 1.541 1.00 0.00 H new ATOM 0 HB3 SER B 675 5.341 17.808 1.431 1.00 0.00 H new ATOM 0 HG SER B 675 7.148 16.864 0.325 1.00 0.00 H new ATOM 2300 N THR B 676 5.357 19.288 4.125 1.00 0.00 N ATOM 2301 CA THR B 676 5.623 20.657 4.546 1.00 0.00 C ATOM 2302 C THR B 676 6.157 20.700 5.973 1.00 0.00 C ATOM 2303 O THR B 676 6.538 21.759 6.473 1.00 0.00 O ATOM 2304 CB THR B 676 4.356 21.528 4.458 1.00 0.00 C ATOM 2305 OG1 THR B 676 3.544 21.103 3.357 1.00 0.00 O ATOM 2306 CG2 THR B 676 4.718 22.996 4.291 1.00 0.00 C ATOM 0 H THR B 676 4.369 19.035 4.113 1.00 0.00 H new ATOM 0 HA THR B 676 6.377 21.055 3.867 1.00 0.00 H new ATOM 0 HB THR B 676 3.797 21.412 5.387 1.00 0.00 H new ATOM 0 HG1 THR B 676 2.740 21.661 3.309 1.00 0.00 H new ATOM 0 HG21 THR B 676 3.807 23.591 4.231 1.00 0.00 H new ATOM 0 HG22 THR B 676 5.310 23.324 5.145 1.00 0.00 H new ATOM 0 HG23 THR B 676 5.297 23.126 3.377 1.00 0.00 H new ATOM 2314 N HIS B 677 6.183 19.541 6.625 1.00 0.00 N ATOM 2315 CA HIS B 677 6.671 19.446 7.997 1.00 0.00 C ATOM 2316 C HIS B 677 8.073 20.038 8.116 1.00 0.00 C ATOM 2317 O HIS B 677 8.466 20.513 9.180 1.00 0.00 O ATOM 2318 CB HIS B 677 6.680 17.988 8.457 1.00 0.00 C ATOM 2319 CG HIS B 677 7.034 17.818 9.902 1.00 0.00 C ATOM 2320 ND1 HIS B 677 7.016 18.702 10.928 1.00 0.00 N flip ATOM 2321 CD2 HIS B 677 7.472 16.624 10.435 1.00 0.00 C flip ATOM 2322 CE1 HIS B 677 7.436 18.033 12.050 1.00 0.00 C flip ATOM 2323 NE2 HIS B 677 7.705 16.781 11.726 1.00 0.00 N flip ATOM 0 H HIS B 677 5.872 18.655 6.226 1.00 0.00 H new ATOM 0 HA HIS B 677 5.998 20.017 8.637 1.00 0.00 H new ATOM 0 HB2 HIS B 677 5.696 17.553 8.279 1.00 0.00 H new ATOM 0 HB3 HIS B 677 7.391 17.428 7.849 1.00 0.00 H new ATOM 0 HD2 HIS B 677 7.604 15.705 9.884 1.00 0.00 H new ATOM 0 HE1 HIS B 677 7.531 18.460 13.037 1.00 0.00 H new ATOM 0 HE2 HIS B 677 8.036 16.058 12.364 1.00 0.00 H new ATOM 2330 N GLU B 678 8.819 20.006 7.016 1.00 0.00 N ATOM 2331 CA GLU B 678 10.176 20.538 6.999 1.00 0.00 C ATOM 2332 C GLU B 678 10.196 21.994 7.457 1.00 0.00 C ATOM 2333 O GLU B 678 11.206 22.484 7.958 1.00 0.00 O ATOM 2334 CB GLU B 678 10.775 20.425 5.596 1.00 0.00 C ATOM 2335 CG GLU B 678 9.917 21.059 4.515 1.00 0.00 C ATOM 2336 CD GLU B 678 10.716 21.444 3.285 1.00 0.00 C ATOM 2337 OE1 GLU B 678 11.943 21.212 3.280 1.00 0.00 O ATOM 2338 OE2 GLU B 678 10.116 21.976 2.328 1.00 0.00 O ATOM 0 H GLU B 678 8.507 19.618 6.126 1.00 0.00 H new ATOM 0 HA GLU B 678 10.778 19.949 7.691 1.00 0.00 H new ATOM 0 HB2 GLU B 678 11.758 20.896 5.591 1.00 0.00 H new ATOM 0 HB3 GLU B 678 10.925 19.372 5.358 1.00 0.00 H new ATOM 0 HG2 GLU B 678 9.128 20.363 4.228 1.00 0.00 H new ATOM 0 HG3 GLU B 678 9.428 21.946 4.918 1.00 0.00 H new ATOM 2343 N ALA B 679 9.071 22.678 7.278 1.00 0.00 N ATOM 2344 CA ALA B 679 8.957 24.077 7.672 1.00 0.00 C ATOM 2345 C ALA B 679 9.399 24.277 9.118 1.00 0.00 C ATOM 2346 O ALA B 679 9.897 25.341 9.483 1.00 0.00 O ATOM 2347 CB ALA B 679 7.528 24.564 7.483 1.00 0.00 C ATOM 0 H ALA B 679 8.226 22.286 6.863 1.00 0.00 H new ATOM 0 HA ALA B 679 9.617 24.664 7.033 1.00 0.00 H new ATOM 0 HB1 ALA B 679 7.458 25.610 7.781 1.00 0.00 H new ATOM 0 HB2 ALA B 679 7.246 24.466 6.435 1.00 0.00 H new ATOM 0 HB3 ALA B 679 6.855 23.966 8.098 1.00 0.00 H new ATOM 2353 N ASN B 680 9.212 23.246 9.937 1.00 0.00 N ATOM 2354 CA ASN B 680 9.591 23.310 11.343 1.00 0.00 C ATOM 2355 C ASN B 680 11.101 23.466 11.494 1.00 0.00 C ATOM 2356 O ASN B 680 11.577 24.335 12.227 1.00 0.00 O ATOM 2357 CB ASN B 680 9.121 22.053 12.077 1.00 0.00 C ATOM 2358 CG ASN B 680 9.292 22.161 13.580 1.00 0.00 C ATOM 2359 OD1 ASN B 680 9.619 23.227 14.103 1.00 0.00 O ATOM 2360 ND2 ASN B 680 9.069 21.057 14.283 1.00 0.00 N ATOM 0 H ASN B 680 8.801 22.358 9.651 1.00 0.00 H new ATOM 0 HA ASN B 680 9.108 24.182 11.784 1.00 0.00 H new ATOM 0 HB2 ASN B 680 8.071 21.872 11.846 1.00 0.00 H new ATOM 0 HB3 ASN B 680 9.681 21.192 11.712 1.00 0.00 H new ATOM 0 HD21 ASN B 680 9.167 21.070 15.298 1.00 0.00 H new ATOM 0 HD22 ASN B 680 8.800 20.195 13.808 1.00 0.00 H new ATOM 2366 N THR B 681 11.851 22.620 10.796 1.00 0.00 N ATOM 2367 CA THR B 681 13.307 22.662 10.851 1.00 0.00 C ATOM 2368 C THR B 681 13.852 23.854 10.074 1.00 0.00 C ATOM 2369 O THR B 681 14.957 24.325 10.337 1.00 0.00 O ATOM 2370 CB THR B 681 13.928 21.370 10.291 1.00 0.00 C ATOM 2371 OG1 THR B 681 13.463 20.238 11.035 1.00 0.00 O ATOM 2372 CG2 THR B 681 15.448 21.430 10.349 1.00 0.00 C ATOM 0 H THR B 681 11.474 21.896 10.185 1.00 0.00 H new ATOM 0 HA THR B 681 13.581 22.761 11.901 1.00 0.00 H new ATOM 0 HB THR B 681 13.622 21.270 9.249 1.00 0.00 H new ATOM 0 HG1 THR B 681 13.862 19.421 10.670 1.00 0.00 H new ATOM 0 HG21 THR B 681 15.864 20.506 9.948 1.00 0.00 H new ATOM 0 HG22 THR B 681 15.802 22.274 9.757 1.00 0.00 H new ATOM 0 HG23 THR B 681 15.768 21.553 11.384 1.00 0.00 H new ATOM 2380 N MET B 682 13.069 24.337 9.115 1.00 0.00 N ATOM 2381 CA MET B 682 13.473 25.477 8.299 1.00 0.00 C ATOM 2382 C MET B 682 13.908 26.647 9.178 1.00 0.00 C ATOM 2383 O MET B 682 14.758 27.446 8.787 1.00 0.00 O ATOM 2384 CB MET B 682 12.326 25.910 7.384 1.00 0.00 C ATOM 2385 CG MET B 682 12.689 25.894 5.908 1.00 0.00 C ATOM 2386 SD MET B 682 11.238 25.887 4.837 1.00 0.00 S ATOM 2387 CE MET B 682 10.847 24.138 4.809 1.00 0.00 C ATOM 0 H MET B 682 12.151 23.957 8.884 1.00 0.00 H new ATOM 0 HA MET B 682 14.320 25.171 7.686 1.00 0.00 H new ATOM 0 HB2 MET B 682 11.473 25.251 7.547 1.00 0.00 H new ATOM 0 HB3 MET B 682 12.010 26.916 7.662 1.00 0.00 H new ATOM 0 HG2 MET B 682 13.301 26.766 5.679 1.00 0.00 H new ATOM 0 HG3 MET B 682 13.296 25.014 5.697 1.00 0.00 H new ATOM 0 HE1 MET B 682 9.768 24.005 4.893 1.00 0.00 H new ATOM 0 HE2 MET B 682 11.195 23.702 3.872 1.00 0.00 H new ATOM 0 HE3 MET B 682 11.340 23.642 5.645 1.00 0.00 H new ATOM 2395 N ALA B 683 13.318 26.741 10.364 1.00 0.00 N ATOM 2396 CA ALA B 683 13.645 27.811 11.298 1.00 0.00 C ATOM 2397 C ALA B 683 15.145 27.862 11.570 1.00 0.00 C ATOM 2398 O ALA B 683 15.692 28.918 11.889 1.00 0.00 O ATOM 2399 CB ALA B 683 12.876 27.632 12.599 1.00 0.00 C ATOM 0 H ALA B 683 12.610 26.089 10.701 1.00 0.00 H new ATOM 0 HA ALA B 683 13.352 28.758 10.844 1.00 0.00 H new ATOM 0 HB1 ALA B 683 13.131 28.439 13.286 1.00 0.00 H new ATOM 0 HB2 ALA B 683 11.806 27.654 12.395 1.00 0.00 H new ATOM 0 HB3 ALA B 683 13.140 26.675 13.049 1.00 0.00 H new ATOM 2405 N MET B 684 15.804 26.715 11.444 1.00 0.00 N ATOM 2406 CA MET B 684 17.241 26.631 11.676 1.00 0.00 C ATOM 2407 C MET B 684 17.596 27.133 13.071 1.00 0.00 C ATOM 2408 O MET B 684 18.699 27.628 13.301 1.00 0.00 O ATOM 2409 CB MET B 684 17.998 27.441 10.621 1.00 0.00 C ATOM 2410 CG MET B 684 19.245 26.745 10.102 1.00 0.00 C ATOM 2411 SD MET B 684 20.314 27.849 9.159 1.00 0.00 S ATOM 2412 CE MET B 684 21.546 28.263 10.391 1.00 0.00 C ATOM 0 H MET B 684 15.366 25.832 11.183 1.00 0.00 H new ATOM 0 HA MET B 684 17.536 25.584 11.600 1.00 0.00 H new ATOM 0 HB2 MET B 684 17.331 27.646 9.784 1.00 0.00 H new ATOM 0 HB3 MET B 684 18.280 28.404 11.047 1.00 0.00 H new ATOM 0 HG2 MET B 684 19.804 26.335 10.943 1.00 0.00 H new ATOM 0 HG3 MET B 684 18.952 25.904 9.473 1.00 0.00 H new ATOM 0 HE1 MET B 684 22.280 28.942 9.957 1.00 0.00 H new ATOM 0 HE2 MET B 684 21.063 28.745 11.241 1.00 0.00 H new ATOM 0 HE3 MET B 684 22.046 27.354 10.726 1.00 0.00 H new ATOM 2420 N MET B 685 16.655 27.002 14.001 1.00 0.00 N ATOM 2421 CA MET B 685 16.871 27.442 15.374 1.00 0.00 C ATOM 2422 C MET B 685 17.364 26.290 16.243 1.00 0.00 C ATOM 2423 O MET B 685 18.348 26.426 16.970 1.00 0.00 O ATOM 2424 CB MET B 685 15.579 28.019 15.957 1.00 0.00 C ATOM 2425 CG MET B 685 15.719 29.450 16.448 1.00 0.00 C ATOM 2426 SD MET B 685 15.708 29.571 18.246 1.00 0.00 S ATOM 2427 CE MET B 685 17.453 29.397 18.609 1.00 0.00 C ATOM 0 H MET B 685 15.736 26.595 13.828 1.00 0.00 H new ATOM 0 HA MET B 685 17.635 28.219 15.364 1.00 0.00 H new ATOM 0 HB2 MET B 685 14.798 27.979 15.198 1.00 0.00 H new ATOM 0 HB3 MET B 685 15.251 27.390 16.785 1.00 0.00 H new ATOM 0 HG2 MET B 685 16.648 29.872 16.065 1.00 0.00 H new ATOM 0 HG3 MET B 685 14.905 30.051 16.042 1.00 0.00 H new ATOM 0 HE1 MET B 685 17.577 28.898 19.570 1.00 0.00 H new ATOM 0 HE2 MET B 685 17.930 28.804 17.828 1.00 0.00 H new ATOM 0 HE3 MET B 685 17.916 30.383 18.650 1.00 0.00 H new ATOM 2435 N ALA B 686 16.675 25.156 16.162 1.00 0.00 N ATOM 2436 CA ALA B 686 17.045 23.980 16.941 1.00 0.00 C ATOM 2437 C ALA B 686 18.479 23.556 16.647 1.00 0.00 C ATOM 2438 O ALA B 686 19.260 23.295 17.562 1.00 0.00 O ATOM 2439 CB ALA B 686 16.084 22.835 16.655 1.00 0.00 C ATOM 0 H ALA B 686 15.858 25.027 15.565 1.00 0.00 H new ATOM 0 HA ALA B 686 16.981 24.239 17.998 1.00 0.00 H new ATOM 0 HB1 ALA B 686 16.371 21.963 17.243 1.00 0.00 H new ATOM 0 HB2 ALA B 686 15.071 23.135 16.922 1.00 0.00 H new ATOM 0 HB3 ALA B 686 16.121 22.586 15.595 1.00 0.00 H new ATOM 2445 N ARG B 687 18.821 23.490 15.364 1.00 0.00 N ATOM 2446 CA ARG B 687 20.162 23.095 14.949 1.00 0.00 C ATOM 2447 C ARG B 687 21.191 24.135 15.378 1.00 0.00 C ATOM 2448 O ARG B 687 22.353 23.810 15.621 1.00 0.00 O ATOM 2449 CB ARG B 687 20.214 22.904 13.432 1.00 0.00 C ATOM 2450 CG ARG B 687 19.485 21.662 12.949 1.00 0.00 C ATOM 2451 CD ARG B 687 20.152 20.392 13.454 1.00 0.00 C ATOM 2452 NE ARG B 687 20.524 19.497 12.361 1.00 0.00 N ATOM 2453 CZ ARG B 687 20.750 18.198 12.520 1.00 0.00 C ATOM 2454 NH1 ARG B 687 20.641 17.645 13.719 1.00 0.00 N ATOM 2455 NH2 ARG B 687 21.085 17.449 11.477 1.00 0.00 N ATOM 0 H ARG B 687 18.188 23.705 14.594 1.00 0.00 H new ATOM 0 HA ARG B 687 20.403 22.149 15.435 1.00 0.00 H new ATOM 0 HB2 ARG B 687 19.781 23.780 12.949 1.00 0.00 H new ATOM 0 HB3 ARG B 687 21.256 22.849 13.117 1.00 0.00 H new ATOM 0 HG2 ARG B 687 18.450 21.691 13.290 1.00 0.00 H new ATOM 0 HG3 ARG B 687 19.462 21.653 11.859 1.00 0.00 H new ATOM 0 HD2 ARG B 687 21.041 20.653 14.027 1.00 0.00 H new ATOM 0 HD3 ARG B 687 19.476 19.873 14.133 1.00 0.00 H new ATOM 0 HE ARG B 687 20.615 19.891 11.425 1.00 0.00 H new ATOM 0 HH11 ARG B 687 20.383 18.217 14.523 1.00 0.00 H new ATOM 0 HH12 ARG B 687 20.815 16.647 13.838 1.00 0.00 H new ATOM 0 HH21 ARG B 687 21.169 17.871 10.552 1.00 0.00 H new ATOM 0 HH22 ARG B 687 21.258 16.451 11.600 1.00 0.00 H new ATOM 2466 N ASP B 688 20.757 25.388 15.468 1.00 0.00 N ATOM 2467 CA ASP B 688 21.641 26.477 15.867 1.00 0.00 C ATOM 2468 C ASP B 688 21.887 26.453 17.373 1.00 0.00 C ATOM 2469 O ASP B 688 21.380 27.298 18.110 1.00 0.00 O ATOM 2470 CB ASP B 688 21.042 27.824 15.458 1.00 0.00 C ATOM 2471 CG ASP B 688 21.504 28.267 14.083 1.00 0.00 C ATOM 2472 OD1 ASP B 688 22.026 27.420 13.331 1.00 0.00 O ATOM 2473 OD2 ASP B 688 21.343 29.464 13.760 1.00 0.00 O ATOM 0 H ASP B 688 19.798 25.674 15.270 1.00 0.00 H new ATOM 0 HA ASP B 688 22.596 26.342 15.358 1.00 0.00 H new ATOM 0 HB2 ASP B 688 19.954 27.753 15.468 1.00 0.00 H new ATOM 0 HB3 ASP B 688 21.319 28.580 16.193 1.00 0.00 H new ATOM 2477 N THR B 689 22.668 25.476 17.824 1.00 0.00 N ATOM 2478 CA THR B 689 22.980 25.339 19.241 1.00 0.00 C ATOM 2479 C THR B 689 24.483 25.415 19.483 1.00 0.00 C ATOM 2480 O THR B 689 24.931 25.927 20.509 1.00 0.00 O ATOM 2481 CB THR B 689 22.446 24.010 19.808 1.00 0.00 C ATOM 2482 OG1 THR B 689 22.747 23.917 21.205 1.00 0.00 O ATOM 2483 CG2 THR B 689 23.054 22.826 19.073 1.00 0.00 C ATOM 0 H THR B 689 23.096 24.768 17.228 1.00 0.00 H new ATOM 0 HA THR B 689 22.490 26.167 19.754 1.00 0.00 H new ATOM 0 HB THR B 689 21.365 23.988 19.668 1.00 0.00 H new ATOM 0 HG1 THR B 689 22.403 23.070 21.558 1.00 0.00 H new ATOM 0 HG21 THR B 689 22.662 21.898 19.491 1.00 0.00 H new ATOM 0 HG22 THR B 689 22.798 22.884 18.015 1.00 0.00 H new ATOM 0 HG23 THR B 689 24.138 22.845 19.186 1.00 0.00 H new ATOM 2491 N ALA B 690 25.257 24.902 18.533 1.00 0.00 N ATOM 2492 CA ALA B 690 26.710 24.914 18.642 1.00 0.00 C ATOM 2493 C ALA B 690 27.299 26.168 18.004 1.00 0.00 C ATOM 2494 O ALA B 690 28.407 26.585 18.340 1.00 0.00 O ATOM 2495 CB ALA B 690 27.299 23.666 17.998 1.00 0.00 C ATOM 0 H ALA B 690 24.902 24.473 17.679 1.00 0.00 H new ATOM 0 HA ALA B 690 26.969 24.920 19.701 1.00 0.00 H new ATOM 0 HB1 ALA B 690 28.385 23.689 18.087 1.00 0.00 H new ATOM 0 HB2 ALA B 690 26.912 22.780 18.501 1.00 0.00 H new ATOM 0 HB3 ALA B 690 27.022 23.635 16.944 1.00 0.00 H new ATOM 2501 N GLU B 691 26.549 26.764 17.082 1.00 0.00 N ATOM 2502 CA GLU B 691 26.999 27.970 16.396 1.00 0.00 C ATOM 2503 C GLU B 691 26.901 29.186 17.313 1.00 0.00 C ATOM 2504 O GLU B 691 27.903 29.835 17.611 1.00 0.00 O ATOM 2505 CB GLU B 691 26.172 28.204 15.131 1.00 0.00 C ATOM 2506 CG GLU B 691 25.844 26.927 14.374 1.00 0.00 C ATOM 2507 CD GLU B 691 26.008 27.080 12.875 1.00 0.00 C ATOM 2508 OE1 GLU B 691 25.636 28.148 12.344 1.00 0.00 O ATOM 2509 OE2 GLU B 691 26.507 26.133 12.233 1.00 0.00 O ATOM 0 H GLU B 691 25.629 26.432 16.793 1.00 0.00 H new ATOM 0 HA GLU B 691 28.043 27.829 16.117 1.00 0.00 H new ATOM 0 HB2 GLU B 691 25.243 28.705 15.402 1.00 0.00 H new ATOM 0 HB3 GLU B 691 26.717 28.879 14.470 1.00 0.00 H new ATOM 0 HG2 GLU B 691 26.491 26.124 14.726 1.00 0.00 H new ATOM 0 HG3 GLU B 691 24.819 26.631 14.595 1.00 0.00 H new ATOM 2514 N ALA B 692 25.685 29.487 17.757 1.00 0.00 N ATOM 2515 CA ALA B 692 25.455 30.624 18.640 1.00 0.00 C ATOM 2516 C ALA B 692 26.195 30.450 19.962 1.00 0.00 C ATOM 2517 O ALA B 692 26.511 31.427 20.641 1.00 0.00 O ATOM 2518 CB ALA B 692 23.965 30.806 18.888 1.00 0.00 C ATOM 0 H ALA B 692 24.845 28.960 17.520 1.00 0.00 H new ATOM 0 HA ALA B 692 25.843 31.517 18.151 1.00 0.00 H new ATOM 0 HB1 ALA B 692 23.808 31.658 19.549 1.00 0.00 H new ATOM 0 HB2 ALA B 692 23.457 30.983 17.940 1.00 0.00 H new ATOM 0 HB3 ALA B 692 23.561 29.907 19.353 1.00 0.00 H new ATOM 2524 N ALA B 693 26.470 29.201 20.322 1.00 0.00 N ATOM 2525 CA ALA B 693 27.175 28.900 21.562 1.00 0.00 C ATOM 2526 C ALA B 693 28.685 28.997 21.372 1.00 0.00 C ATOM 2527 O ALA B 693 29.426 29.237 22.326 1.00 0.00 O ATOM 2528 CB ALA B 693 26.791 27.516 22.065 1.00 0.00 C ATOM 0 H ALA B 693 26.215 28.381 19.772 1.00 0.00 H new ATOM 0 HA ALA B 693 26.881 29.639 22.307 1.00 0.00 H new ATOM 0 HB1 ALA B 693 27.325 27.305 22.991 1.00 0.00 H new ATOM 0 HB2 ALA B 693 25.717 27.481 22.249 1.00 0.00 H new ATOM 0 HB3 ALA B 693 27.056 26.770 21.315 1.00 0.00 H new ATOM 2534 N LYS B 694 29.134 28.808 20.137 1.00 0.00 N ATOM 2535 CA LYS B 694 30.556 28.874 19.820 1.00 0.00 C ATOM 2536 C LYS B 694 31.106 30.273 20.079 1.00 0.00 C ATOM 2537 O LYS B 694 32.030 30.451 20.871 1.00 0.00 O ATOM 2538 CB LYS B 694 30.795 28.481 18.361 1.00 0.00 C ATOM 2539 CG LYS B 694 31.617 27.215 18.199 1.00 0.00 C ATOM 2540 CD LYS B 694 31.491 26.643 16.797 1.00 0.00 C ATOM 2541 CE LYS B 694 31.338 25.131 16.822 1.00 0.00 C ATOM 2542 NZ LYS B 694 32.551 24.460 17.369 1.00 0.00 N ATOM 0 H LYS B 694 28.533 28.608 19.337 1.00 0.00 H new ATOM 0 HA LYS B 694 31.080 28.171 20.468 1.00 0.00 H new ATOM 0 HB2 LYS B 694 29.833 28.345 17.868 1.00 0.00 H new ATOM 0 HB3 LYS B 694 31.301 29.301 17.851 1.00 0.00 H new ATOM 0 HG2 LYS B 694 32.664 27.430 18.412 1.00 0.00 H new ATOM 0 HG3 LYS B 694 31.290 26.472 18.927 1.00 0.00 H new ATOM 0 HD2 LYS B 694 30.631 27.088 16.298 1.00 0.00 H new ATOM 0 HD3 LYS B 694 32.372 26.911 16.214 1.00 0.00 H new ATOM 0 HE2 LYS B 694 30.471 24.864 17.426 1.00 0.00 H new ATOM 0 HE3 LYS B 694 31.147 24.768 15.812 1.00 0.00 H new ATOM 0 HZ1 LYS B 694 32.428 23.428 17.322 1.00 0.00 H new ATOM 0 HZ2 LYS B 694 33.383 24.735 16.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 694 32.690 24.748 18.359 1.00 0.00 H new ATOM 2552 N TRP B 695 30.529 31.263 19.405 1.00 0.00 N ATOM 2553 CA TRP B 695 30.962 32.647 19.561 1.00 0.00 C ATOM 2554 C TRP B 695 32.457 32.784 19.297 1.00 0.00 C ATOM 2555 O TRP B 695 33.271 32.685 20.212 1.00 0.00 O ATOM 2556 CB TRP B 695 30.633 33.149 20.969 1.00 0.00 C ATOM 2557 CG TRP B 695 31.028 34.576 21.198 1.00 0.00 C ATOM 2558 CD1 TRP B 695 31.859 35.050 22.174 1.00 0.00 C ATOM 2559 CD2 TRP B 695 30.608 35.714 20.438 1.00 0.00 C ATOM 2560 NE1 TRP B 695 31.980 36.415 22.065 1.00 0.00 N ATOM 2561 CE2 TRP B 695 31.224 36.846 21.008 1.00 0.00 C ATOM 2562 CE3 TRP B 695 29.774 35.888 19.331 1.00 0.00 C ATOM 2563 CZ2 TRP B 695 31.028 38.131 20.507 1.00 0.00 C ATOM 2564 CZ3 TRP B 695 29.581 37.163 18.835 1.00 0.00 C ATOM 2565 CH2 TRP B 695 30.206 38.271 19.422 1.00 0.00 C ATOM 0 H TRP B 695 29.761 31.133 18.746 1.00 0.00 H new ATOM 0 HA TRP B 695 30.427 33.253 18.830 1.00 0.00 H new ATOM 0 HB2 TRP B 695 29.562 33.043 21.144 1.00 0.00 H new ATOM 0 HB3 TRP B 695 31.139 32.518 21.700 1.00 0.00 H new ATOM 0 HD1 TRP B 695 32.348 34.442 22.921 1.00 0.00 H new ATOM 0 HE1 TRP B 695 32.542 37.010 22.673 1.00 0.00 H new ATOM 0 HE3 TRP B 695 29.288 35.040 18.871 1.00 0.00 H new ATOM 0 HZ2 TRP B 695 31.508 38.986 20.959 1.00 0.00 H new ATOM 0 HZ3 TRP B 695 28.937 37.308 17.980 1.00 0.00 H new ATOM 0 HH2 TRP B 695 30.036 39.255 19.010 1.00 0.00 H new ATOM 2575 N GLY B 696 32.812 33.014 18.035 1.00 0.00 N ATOM 2576 CA GLY B 696 34.209 33.161 17.672 1.00 0.00 C ATOM 2577 C GLY B 696 34.975 31.856 17.772 1.00 0.00 C ATOM 2578 O GLY B 696 34.677 31.017 18.621 1.00 0.00 O ATOM 0 H GLY B 696 32.156 33.101 17.259 1.00 0.00 H new ATOM 0 HA2 GLY B 696 34.278 33.542 16.653 1.00 0.00 H new ATOM 0 HA3 GLY B 696 34.674 33.902 18.322 1.00 0.00 H new ATOM 2582 N GLY B 697 35.963 31.685 16.899 1.00 0.00 N ATOM 2583 CA GLY B 697 36.756 30.469 16.908 1.00 0.00 C ATOM 2584 C GLY B 697 37.699 30.400 18.093 1.00 0.00 C ATOM 2585 O GLY B 697 38.585 31.241 18.240 1.00 0.00 O ATOM 0 H GLY B 697 36.228 32.365 16.187 1.00 0.00 H new ATOM 0 HA2 GLY B 697 36.091 29.606 16.926 1.00 0.00 H new ATOM 0 HA3 GLY B 697 37.332 30.408 15.985 1.00 0.00 H new TER 2589 GLY B 697