USER MOD reduce.3.24.130724 H: found=0, std=0, add=1347, rem=0, adj=42 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: A 75 ASN : amide:sc= -2.81 X(o=-3.6,f=-3.4) USER MOD Set 1.2: B 648 THR OG1 : rot -120:sc= -0.815 USER MOD Set 2.1: B 637 GLN :FLIP amide:sc= -2.85! C(o=-8.4!,f=-3!) USER MOD Set 2.2: B 641 GLN : amide:sc= -1.13 K(o=-3,f=-6.3!) USER MOD Set 2.3: B 656 GLN : amide:sc= 0.958 K(o=-3,f=-9.5) USER MOD Set 3.1: A 66 ASN : amide:sc= -0.487 X(o=0.72,f=1.1) USER MOD Set 3.2: A 67 THR OG1 : rot 83:sc= 1.21 USER MOD Set 4.1: A 55 HIS :FLIP no HD1:sc= -0.156 F(o=-0.79,f=-0.16) USER MOD Set 4.2: B 673 MET CE :methyl 172:sc= 0 (180deg=-0.0784) USER MOD Set 5.1: A 25 MET CE :methyl -159:sc= -4.63! (180deg=-4.83!) USER MOD Set 5.2: B 663 MET CE :methyl -154:sc= -1.51 (180deg=-3.05!) USER MOD Set 6.1: A 2 SER OG : rot 153:sc= 0.4 USER MOD Set 6.2: A 7 HIS : no HD1:sc= 0.37 K(o=0.77,f=-1.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 0.139 (180deg=0.0587) USER MOD Single : A 10 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.18) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 16 SER OG : rot 50:sc= 0.16 USER MOD Single : A 21 LYS NZ :NH3+ -111:sc= -0.045 (180deg=-2.39!) USER MOD Single : A 27 HIS : no HD1:sc= -0.767 X(o=-0.77,f=-1.2) USER MOD Single : A 28 THR OG1 : rot 89:sc= -1.27 USER MOD Single : A 31 GLN : amide:sc= -0.0386 X(o=-0.039,f=-0.23) USER MOD Single : A 34 GLN : amide:sc= -0.065 K(o=-0.065,f=-1.6!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.00599 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 43 HIS : no HD1:sc= -0.445 X(o=-0.44,f=-0.054) USER MOD Single : A 44 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.1!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.02) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : B 601 SER OG : rot 60:sc= 0.2 USER MOD Single : B 602 MET CE :methyl 158:sc= -0.0279 (180deg=-0.29) USER MOD Single : B 603 SER OG : rot 180:sc= 0 USER MOD Single : B 604 GLN : amide:sc= -0.147 K(o=-0.15,f=-1) USER MOD Single : B 606 MET CE :methyl -167:sc= -0.0194 (180deg=-0.322) USER MOD Single : B 607 TYR OH : rot 180:sc= 0 USER MOD Single : B 608 ASN : amide:sc= -0.0649 X(o=-0.065,f=-0.5) USER MOD Single : B 609 TYR OH : rot 180:sc= 0 USER MOD Single : B 612 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 615 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.28) USER MOD Single : B 619 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 59:sc= 1.22 USER MOD Single : B 627 GLN : amide:sc= -0.231 K(o=-0.23,f=-1.6!) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 645 GLN : amide:sc= 0.462 X(o=0.46,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0 USER MOD Single : B 652 TYR OH : rot 180:sc= 0 USER MOD Single : B 653 GLN : amide:sc= -2.21! C(o=-2.2!,f=-5.9!) USER MOD Single : B 658 GLN :FLIP amide:sc= -0.839 F(o=-3.2!,f=-0.84) USER MOD Single : B 660 ASN : amide:sc= -0.0776 K(o=-0.078,f=-1.1!) USER MOD Single : B 661 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 670 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : B 674 SER OG : rot 50:sc= 0.8 USER MOD Single : B 675 SER OG : rot 180:sc= -1.62! USER MOD Single : B 676 THR OG1 : rot 180:sc= 0.00454 USER MOD Single : B 677 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 680 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.1) USER MOD Single : B 681 THR OG1 : rot -83:sc= 0.128 USER MOD Single : B 682 MET CE :methyl -124:sc= -3.26 (180deg=-6.05!) USER MOD Single : B 684 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 685 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 689 THR OG1 : rot 180:sc= 0 USER MOD Single : B 694 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -33.917 -9.039 13.759 1.00 0.00 N ATOM 2 CA MET A 1 -33.194 -8.450 14.880 1.00 0.00 C ATOM 3 C MET A 1 -31.872 -9.175 15.115 1.00 0.00 C ATOM 4 O MET A 1 -31.835 -10.403 15.210 1.00 0.00 O ATOM 5 CB MET A 1 -34.049 -8.500 16.148 1.00 0.00 C ATOM 6 CG MET A 1 -34.914 -7.266 16.346 1.00 0.00 C ATOM 7 SD MET A 1 -36.427 -7.314 15.366 1.00 0.00 S ATOM 8 CE MET A 1 -37.313 -5.912 16.042 1.00 0.00 C ATOM 0 H1 MET A 1 -34.916 -8.753 13.801 1.00 0.00 H new ATOM 0 H2 MET A 1 -33.500 -8.709 12.865 1.00 0.00 H new ATOM 0 H3 MET A 1 -33.851 -10.076 13.810 1.00 0.00 H new ATOM 0 HA MET A 1 -32.979 -7.410 14.636 1.00 0.00 H new ATOM 0 HB2 MET A 1 -34.690 -9.381 16.110 1.00 0.00 H new ATOM 0 HB3 MET A 1 -33.396 -8.618 17.013 1.00 0.00 H new ATOM 0 HG2 MET A 1 -35.172 -7.173 17.401 1.00 0.00 H new ATOM 0 HG3 MET A 1 -34.341 -6.378 16.079 1.00 0.00 H new ATOM 0 HE1 MET A 1 -38.273 -5.810 15.536 1.00 0.00 H new ATOM 0 HE2 MET A 1 -37.479 -6.066 17.108 1.00 0.00 H new ATOM 0 HE3 MET A 1 -36.727 -5.005 15.894 1.00 0.00 H new ATOM 16 N SER A 2 -30.790 -8.409 15.208 1.00 0.00 N ATOM 17 CA SER A 2 -29.467 -8.980 15.427 1.00 0.00 C ATOM 18 C SER A 2 -28.810 -8.369 16.661 1.00 0.00 C ATOM 19 O SER A 2 -29.072 -7.218 17.013 1.00 0.00 O ATOM 20 CB SER A 2 -28.581 -8.754 14.200 1.00 0.00 C ATOM 21 OG SER A 2 -29.354 -8.717 13.013 1.00 0.00 O ATOM 0 H SER A 2 -30.804 -7.392 15.135 1.00 0.00 H new ATOM 0 HA SER A 2 -29.583 -10.051 15.590 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.033 -7.818 14.310 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.840 -9.551 14.131 1.00 0.00 H new ATOM 0 HG SER A 2 -28.894 -8.174 12.340 1.00 0.00 H new ATOM 26 N LEU A 3 -27.955 -9.148 17.316 1.00 0.00 N ATOM 27 CA LEU A 3 -27.260 -8.685 18.512 1.00 0.00 C ATOM 28 C LEU A 3 -26.331 -7.521 18.186 1.00 0.00 C ATOM 29 O LEU A 3 -26.150 -7.164 17.020 1.00 0.00 O ATOM 30 CB LEU A 3 -26.460 -9.831 19.135 1.00 0.00 C ATOM 31 CG LEU A 3 -27.269 -10.866 19.918 1.00 0.00 C ATOM 32 CD1 LEU A 3 -27.825 -11.928 18.983 1.00 0.00 C ATOM 33 CD2 LEU A 3 -26.412 -11.502 21.003 1.00 0.00 C ATOM 0 H LEU A 3 -27.727 -10.103 17.039 1.00 0.00 H new ATOM 0 HA LEU A 3 -28.007 -8.340 19.226 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -25.922 -10.346 18.339 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -25.711 -9.404 19.802 1.00 0.00 H new ATOM 0 HG LEU A 3 -28.107 -10.359 20.396 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -28.398 -12.656 19.558 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -28.474 -11.458 18.244 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -27.003 -12.433 18.476 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -27.003 -12.236 21.550 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -25.554 -11.995 20.546 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -26.064 -10.731 21.690 1.00 0.00 H new ATOM 44 N LEU A 4 -25.743 -6.932 19.221 1.00 0.00 N ATOM 45 CA LEU A 4 -24.831 -5.807 19.045 1.00 0.00 C ATOM 46 C LEU A 4 -23.604 -6.223 18.240 1.00 0.00 C ATOM 47 O LEU A 4 -22.985 -7.250 18.518 1.00 0.00 O ATOM 48 CB LEU A 4 -24.399 -5.257 20.405 1.00 0.00 C ATOM 49 CG LEU A 4 -24.717 -3.785 20.665 1.00 0.00 C ATOM 50 CD1 LEU A 4 -24.821 -3.517 22.158 1.00 0.00 C ATOM 51 CD2 LEU A 4 -23.659 -2.891 20.033 1.00 0.00 C ATOM 0 H LEU A 4 -25.881 -7.215 20.191 1.00 0.00 H new ATOM 0 HA LEU A 4 -25.358 -5.027 18.495 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -24.874 -5.854 21.183 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -23.323 -5.399 20.507 1.00 0.00 H new ATOM 0 HG LEU A 4 -25.679 -3.555 20.208 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -25.048 -2.464 22.324 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -25.615 -4.131 22.583 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -23.875 -3.764 22.639 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -23.902 -1.846 20.228 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -22.684 -3.123 20.461 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -23.633 -3.063 18.957 1.00 0.00 H new ATOM 62 N ASP A 5 -23.257 -5.417 17.242 1.00 0.00 N ATOM 63 CA ASP A 5 -22.102 -5.699 16.398 1.00 0.00 C ATOM 64 C ASP A 5 -22.185 -7.107 15.816 1.00 0.00 C ATOM 65 O ASP A 5 -21.166 -7.767 15.614 1.00 0.00 O ATOM 66 CB ASP A 5 -20.808 -5.540 17.198 1.00 0.00 C ATOM 67 CG ASP A 5 -20.454 -4.086 17.444 1.00 0.00 C ATOM 68 OD1 ASP A 5 -21.349 -3.227 17.307 1.00 0.00 O ATOM 69 OD2 ASP A 5 -19.281 -3.808 17.772 1.00 0.00 O ATOM 0 H ASP A 5 -23.759 -4.563 16.998 1.00 0.00 H new ATOM 0 HA ASP A 5 -22.101 -4.984 15.575 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -20.910 -6.053 18.154 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -19.991 -6.024 16.662 1.00 0.00 H new ATOM 73 N ALA A 6 -23.405 -7.560 15.548 1.00 0.00 N ATOM 74 CA ALA A 6 -23.622 -8.888 14.988 1.00 0.00 C ATOM 75 C ALA A 6 -24.056 -8.805 13.529 1.00 0.00 C ATOM 76 O ALA A 6 -23.608 -9.590 12.692 1.00 0.00 O ATOM 77 CB ALA A 6 -24.658 -9.643 15.807 1.00 0.00 C ATOM 0 H ALA A 6 -24.259 -7.026 15.710 1.00 0.00 H new ATOM 0 HA ALA A 6 -22.678 -9.431 15.028 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -24.810 -10.633 15.377 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -24.307 -9.743 16.834 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -25.600 -9.094 15.797 1.00 0.00 H new ATOM 83 N HIS A 7 -24.930 -7.849 13.229 1.00 0.00 N ATOM 84 CA HIS A 7 -25.424 -7.664 11.869 1.00 0.00 C ATOM 85 C HIS A 7 -24.277 -7.369 10.909 1.00 0.00 C ATOM 86 O HIS A 7 -24.359 -7.668 9.718 1.00 0.00 O ATOM 87 CB HIS A 7 -26.446 -6.527 11.826 1.00 0.00 C ATOM 88 CG HIS A 7 -27.255 -6.496 10.567 1.00 0.00 C ATOM 89 ND1 HIS A 7 -28.484 -7.110 10.447 1.00 0.00 N ATOM 90 CD2 HIS A 7 -27.005 -5.920 9.368 1.00 0.00 C ATOM 91 CE1 HIS A 7 -28.955 -6.913 9.229 1.00 0.00 C ATOM 92 NE2 HIS A 7 -28.076 -6.194 8.554 1.00 0.00 N ATOM 0 H HIS A 7 -25.310 -7.191 13.909 1.00 0.00 H new ATOM 0 HA HIS A 7 -25.907 -8.589 11.555 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -27.119 -6.622 12.678 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -25.924 -5.576 11.936 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -26.127 -5.351 9.101 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -29.898 -7.278 8.849 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -28.177 -5.891 7.585 1.00 0.00 H new ATOM 99 N ILE A 8 -23.207 -6.780 11.436 1.00 0.00 N ATOM 100 CA ILE A 8 -22.043 -6.445 10.625 1.00 0.00 C ATOM 101 C ILE A 8 -21.238 -7.692 10.278 1.00 0.00 C ATOM 102 O ILE A 8 -21.239 -8.684 11.006 1.00 0.00 O ATOM 103 CB ILE A 8 -21.126 -5.439 11.345 1.00 0.00 C ATOM 104 CG1 ILE A 8 -20.466 -6.097 12.558 1.00 0.00 C ATOM 105 CG2 ILE A 8 -21.917 -4.210 11.768 1.00 0.00 C ATOM 106 CD1 ILE A 8 -19.572 -5.160 13.342 1.00 0.00 C ATOM 0 H ILE A 8 -23.123 -6.526 12.420 1.00 0.00 H new ATOM 0 HA ILE A 8 -22.417 -5.990 9.708 1.00 0.00 H new ATOM 0 HB ILE A 8 -20.344 -5.124 10.655 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -21.242 -6.483 13.219 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -19.878 -6.951 12.223 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -21.255 -3.508 12.276 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -22.346 -3.732 10.887 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -22.718 -4.508 12.445 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -19.138 -5.694 14.187 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -18.774 -4.793 12.696 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -20.159 -4.318 13.708 1.00 0.00 H new ATOM 117 N PRO A 9 -20.531 -7.642 9.139 1.00 0.00 N ATOM 118 CA PRO A 9 -19.706 -8.759 8.670 1.00 0.00 C ATOM 119 C PRO A 9 -18.472 -8.973 9.540 1.00 0.00 C ATOM 120 O PRO A 9 -17.384 -8.499 9.217 1.00 0.00 O ATOM 121 CB PRO A 9 -19.296 -8.329 7.259 1.00 0.00 C ATOM 122 CG PRO A 9 -19.363 -6.840 7.282 1.00 0.00 C ATOM 123 CD PRO A 9 -20.484 -6.491 8.221 1.00 0.00 C ATOM 0 HA PRO A 9 -20.245 -9.706 8.703 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -18.292 -8.676 7.015 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -19.968 -8.744 6.508 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -18.420 -6.412 7.623 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -19.551 -6.442 6.285 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -20.287 -5.560 8.753 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -21.427 -6.362 7.690 1.00 0.00 H new ATOM 128 N GLN A 10 -18.651 -9.690 10.645 1.00 0.00 N ATOM 129 CA GLN A 10 -17.551 -9.967 11.561 1.00 0.00 C ATOM 130 C GLN A 10 -17.188 -11.448 11.545 1.00 0.00 C ATOM 131 O GLN A 10 -18.053 -12.308 11.378 1.00 0.00 O ATOM 132 CB GLN A 10 -17.922 -9.536 12.982 1.00 0.00 C ATOM 133 CG GLN A 10 -16.747 -9.542 13.946 1.00 0.00 C ATOM 134 CD GLN A 10 -15.619 -8.634 13.497 1.00 0.00 C ATOM 135 OE1 GLN A 10 -14.478 -9.072 13.346 1.00 0.00 O ATOM 136 NE2 GLN A 10 -15.933 -7.363 13.279 1.00 0.00 N ATOM 0 H GLN A 10 -19.546 -10.089 10.927 1.00 0.00 H new ATOM 0 HA GLN A 10 -16.684 -9.396 11.230 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -18.349 -8.534 12.949 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -18.697 -10.200 13.363 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -17.090 -9.229 14.932 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -16.370 -10.560 14.048 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -16.892 -7.044 13.417 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.215 -6.706 12.974 1.00 0.00 H new ATOM 143 N LEU A 11 -15.903 -11.739 11.719 1.00 0.00 N ATOM 144 CA LEU A 11 -15.426 -13.118 11.723 1.00 0.00 C ATOM 145 C LEU A 11 -15.662 -13.781 10.370 1.00 0.00 C ATOM 146 O LEU A 11 -15.700 -15.007 10.267 1.00 0.00 O ATOM 147 CB LEU A 11 -16.123 -13.916 12.825 1.00 0.00 C ATOM 148 CG LEU A 11 -15.228 -14.426 13.955 1.00 0.00 C ATOM 149 CD1 LEU A 11 -14.722 -13.268 14.800 1.00 0.00 C ATOM 150 CD2 LEU A 11 -15.978 -15.432 14.817 1.00 0.00 C ATOM 0 H LEU A 11 -15.174 -11.040 11.859 1.00 0.00 H new ATOM 0 HA LEU A 11 -14.353 -13.105 11.916 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.903 -13.291 13.260 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -16.619 -14.772 12.367 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.367 -14.928 13.513 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.087 -13.651 15.599 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.147 -12.585 14.175 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -15.569 -12.736 15.233 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.326 -15.784 15.616 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.858 -14.956 15.250 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -16.288 -16.277 14.203 1.00 0.00 H new ATOM 161 N VAL A 12 -15.819 -12.962 9.335 1.00 0.00 N ATOM 162 CA VAL A 12 -16.049 -13.469 7.987 1.00 0.00 C ATOM 163 C VAL A 12 -14.797 -14.140 7.432 1.00 0.00 C ATOM 164 O VAL A 12 -13.698 -13.594 7.518 1.00 0.00 O ATOM 165 CB VAL A 12 -16.482 -12.343 7.030 1.00 0.00 C ATOM 166 CG1 VAL A 12 -16.894 -12.917 5.683 1.00 0.00 C ATOM 167 CG2 VAL A 12 -17.614 -11.531 7.642 1.00 0.00 C ATOM 0 H VAL A 12 -15.791 -11.945 9.404 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.851 -14.204 8.057 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.633 -11.678 6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -17.197 -12.107 5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.052 -13.451 5.242 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -17.728 -13.605 5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.908 -10.739 6.953 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -18.467 -12.182 7.832 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.279 -11.089 8.580 1.00 0.00 H new ATOM 177 N ALA A 13 -14.973 -15.327 6.861 1.00 0.00 N ATOM 178 CA ALA A 13 -13.857 -16.072 6.289 1.00 0.00 C ATOM 179 C ALA A 13 -12.721 -16.217 7.294 1.00 0.00 C ATOM 180 O ALA A 13 -11.553 -16.026 6.956 1.00 0.00 O ATOM 181 CB ALA A 13 -13.362 -15.389 5.022 1.00 0.00 C ATOM 0 H ALA A 13 -15.877 -15.793 6.782 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.210 -17.071 6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.529 -15.955 4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.171 -15.344 4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.031 -14.378 5.259 1.00 0.00 H new ATOM 187 N SER A 14 -13.070 -16.555 8.531 1.00 0.00 N ATOM 188 CA SER A 14 -12.079 -16.721 9.587 1.00 0.00 C ATOM 189 C SER A 14 -11.048 -17.780 9.204 1.00 0.00 C ATOM 190 O SER A 14 -9.885 -17.699 9.596 1.00 0.00 O ATOM 191 CB SER A 14 -12.761 -17.110 10.900 1.00 0.00 C ATOM 192 OG SER A 14 -11.860 -17.781 11.764 1.00 0.00 O ATOM 0 H SER A 14 -14.032 -16.719 8.826 1.00 0.00 H new ATOM 0 HA SER A 14 -11.565 -15.769 9.721 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.145 -16.217 11.393 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.617 -17.752 10.692 1.00 0.00 H new ATOM 0 HG SER A 14 -12.320 -18.017 12.596 1.00 0.00 H new ATOM 197 N GLN A 15 -11.487 -18.771 8.435 1.00 0.00 N ATOM 198 CA GLN A 15 -10.604 -19.846 7.998 1.00 0.00 C ATOM 199 C GLN A 15 -9.426 -19.294 7.203 1.00 0.00 C ATOM 200 O GLN A 15 -8.302 -19.784 7.317 1.00 0.00 O ATOM 201 CB GLN A 15 -11.376 -20.858 7.151 1.00 0.00 C ATOM 202 CG GLN A 15 -11.540 -22.213 7.821 1.00 0.00 C ATOM 203 CD GLN A 15 -11.980 -23.293 6.853 1.00 0.00 C ATOM 204 OE1 GLN A 15 -11.389 -23.467 5.788 1.00 0.00 O ATOM 205 NE2 GLN A 15 -13.025 -24.027 7.219 1.00 0.00 N ATOM 0 H GLN A 15 -12.448 -18.852 8.102 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.217 -20.347 8.886 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.362 -20.452 6.924 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.860 -20.992 6.200 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.595 -22.504 8.279 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.272 -22.131 8.625 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.486 -23.849 8.111 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.366 -24.769 6.608 1.00 0.00 H new ATOM 212 N SER A 16 -9.690 -18.270 6.396 1.00 0.00 N ATOM 213 CA SER A 16 -8.653 -17.654 5.577 1.00 0.00 C ATOM 214 C SER A 16 -8.194 -16.332 6.186 1.00 0.00 C ATOM 215 O SER A 16 -8.826 -15.294 5.990 1.00 0.00 O ATOM 216 CB SER A 16 -9.167 -17.423 4.155 1.00 0.00 C ATOM 217 OG SER A 16 -10.336 -16.623 4.159 1.00 0.00 O ATOM 0 H SER A 16 -10.614 -17.850 6.292 1.00 0.00 H new ATOM 0 HA SER A 16 -7.801 -18.333 5.541 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.393 -16.939 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.380 -18.382 3.682 1.00 0.00 H new ATOM 0 HG SER A 16 -10.184 -15.825 4.707 1.00 0.00 H new ATOM 222 N ALA A 17 -7.092 -16.380 6.926 1.00 0.00 N ATOM 223 CA ALA A 17 -6.547 -15.187 7.563 1.00 0.00 C ATOM 224 C ALA A 17 -6.229 -14.111 6.531 1.00 0.00 C ATOM 225 O ALA A 17 -6.213 -12.921 6.845 1.00 0.00 O ATOM 226 CB ALA A 17 -5.301 -15.539 8.363 1.00 0.00 C ATOM 0 H ALA A 17 -6.559 -17.232 7.100 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.302 -14.790 8.242 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.904 -14.639 8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.556 -16.268 9.132 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.549 -15.962 7.697 1.00 0.00 H new ATOM 232 N PHE A 18 -5.978 -14.536 5.297 1.00 0.00 N ATOM 233 CA PHE A 18 -5.659 -13.608 4.218 1.00 0.00 C ATOM 234 C PHE A 18 -6.720 -12.516 4.108 1.00 0.00 C ATOM 235 O PHE A 18 -6.403 -11.328 4.095 1.00 0.00 O ATOM 236 CB PHE A 18 -5.542 -14.358 2.889 1.00 0.00 C ATOM 237 CG PHE A 18 -4.728 -13.629 1.860 1.00 0.00 C ATOM 238 CD1 PHE A 18 -5.321 -12.702 1.017 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.369 -13.871 1.733 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.574 -12.029 0.068 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.618 -13.201 0.787 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.221 -12.280 -0.048 1.00 0.00 C ATOM 0 H PHE A 18 -5.989 -15.517 5.019 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.702 -13.138 4.447 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.093 -15.335 3.070 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.541 -14.535 2.492 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.379 -12.503 1.103 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.892 -14.591 2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.048 -11.308 -0.582 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.560 -13.397 0.700 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.635 -11.757 -0.790 1.00 0.00 H new ATOM 251 N ALA A 19 -7.980 -12.931 4.030 1.00 0.00 N ATOM 252 CA ALA A 19 -9.088 -11.989 3.923 1.00 0.00 C ATOM 253 C ALA A 19 -9.142 -11.065 5.134 1.00 0.00 C ATOM 254 O ALA A 19 -9.424 -9.874 5.005 1.00 0.00 O ATOM 255 CB ALA A 19 -10.403 -12.739 3.768 1.00 0.00 C ATOM 0 H ALA A 19 -8.259 -13.912 4.039 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.927 -11.374 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.222 -12.024 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.368 -13.352 2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.562 -13.379 4.636 1.00 0.00 H new ATOM 261 N ALA A 20 -8.871 -11.621 6.310 1.00 0.00 N ATOM 262 CA ALA A 20 -8.888 -10.846 7.544 1.00 0.00 C ATOM 263 C ALA A 20 -7.969 -9.633 7.443 1.00 0.00 C ATOM 264 O ALA A 20 -8.266 -8.569 7.984 1.00 0.00 O ATOM 265 CB ALA A 20 -8.483 -11.720 8.722 1.00 0.00 C ATOM 0 H ALA A 20 -8.637 -12.606 6.434 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.905 -10.487 7.704 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.500 -11.128 9.637 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.181 -12.552 8.815 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.477 -12.107 8.559 1.00 0.00 H new ATOM 271 N LYS A 21 -6.850 -9.801 6.746 1.00 0.00 N ATOM 272 CA LYS A 21 -5.887 -8.720 6.572 1.00 0.00 C ATOM 273 C LYS A 21 -6.377 -7.716 5.534 1.00 0.00 C ATOM 274 O LYS A 21 -6.165 -6.512 5.673 1.00 0.00 O ATOM 275 CB LYS A 21 -4.528 -9.283 6.152 1.00 0.00 C ATOM 276 CG LYS A 21 -3.982 -10.333 7.105 1.00 0.00 C ATOM 277 CD LYS A 21 -2.645 -9.913 7.689 1.00 0.00 C ATOM 278 CE LYS A 21 -2.798 -8.748 8.654 1.00 0.00 C ATOM 279 NZ LYS A 21 -1.938 -8.906 9.858 1.00 0.00 N ATOM 0 H LYS A 21 -6.588 -10.676 6.292 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.780 -8.205 7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.617 -9.719 5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.812 -8.464 6.078 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.696 -10.500 7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.869 -11.280 6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.192 -10.758 8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.967 -9.632 6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.542 -7.819 8.145 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.841 -8.666 8.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.536 -9.080 10.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.293 -9.710 9.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.384 -8.038 10.005 1.00 0.00 H new ATOM 289 N ALA A 22 -7.034 -8.220 4.495 1.00 0.00 N ATOM 290 CA ALA A 22 -7.557 -7.367 3.435 1.00 0.00 C ATOM 291 C ALA A 22 -8.527 -6.331 3.992 1.00 0.00 C ATOM 292 O ALA A 22 -8.524 -5.175 3.574 1.00 0.00 O ATOM 293 CB ALA A 22 -8.238 -8.209 2.366 1.00 0.00 C ATOM 0 H ALA A 22 -7.217 -9.215 4.365 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.719 -6.836 2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.624 -7.558 1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.517 -8.906 1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.062 -8.767 2.812 1.00 0.00 H new ATOM 299 N GLY A 23 -9.359 -6.755 4.939 1.00 0.00 N ATOM 300 CA GLY A 23 -10.324 -5.852 5.538 1.00 0.00 C ATOM 301 C GLY A 23 -9.674 -4.828 6.446 1.00 0.00 C ATOM 302 O GLY A 23 -10.059 -3.658 6.451 1.00 0.00 O ATOM 0 H GLY A 23 -9.382 -7.708 5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.873 -5.337 4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.051 -6.429 6.109 1.00 0.00 H new ATOM 306 N LEU A 24 -8.686 -5.266 7.218 1.00 0.00 N ATOM 307 CA LEU A 24 -7.981 -4.379 8.136 1.00 0.00 C ATOM 308 C LEU A 24 -7.223 -3.297 7.375 1.00 0.00 C ATOM 309 O LEU A 24 -6.975 -2.213 7.900 1.00 0.00 O ATOM 310 CB LEU A 24 -7.012 -5.180 9.008 1.00 0.00 C ATOM 311 CG LEU A 24 -7.088 -4.917 10.513 1.00 0.00 C ATOM 312 CD1 LEU A 24 -6.884 -6.208 11.291 1.00 0.00 C ATOM 313 CD2 LEU A 24 -6.058 -3.876 10.925 1.00 0.00 C ATOM 0 H LEU A 24 -8.355 -6.231 7.226 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.721 -3.896 8.775 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.192 -6.241 8.835 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.996 -4.970 8.674 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.080 -4.529 10.745 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.941 -6.002 12.360 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.659 -6.924 11.018 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.905 -6.625 11.054 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.126 -3.701 11.999 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.059 -4.235 10.679 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.250 -2.944 10.393 1.00 0.00 H new ATOM 324 N MET A 25 -6.860 -3.600 6.132 1.00 0.00 N ATOM 325 CA MET A 25 -6.132 -2.651 5.297 1.00 0.00 C ATOM 326 C MET A 25 -6.971 -1.406 5.031 1.00 0.00 C ATOM 327 O MET A 25 -6.565 -0.291 5.358 1.00 0.00 O ATOM 328 CB MET A 25 -5.735 -3.306 3.972 1.00 0.00 C ATOM 329 CG MET A 25 -5.174 -2.327 2.954 1.00 0.00 C ATOM 330 SD MET A 25 -3.730 -1.438 3.570 1.00 0.00 S ATOM 331 CE MET A 25 -2.650 -2.801 3.997 1.00 0.00 C ATOM 0 H MET A 25 -7.058 -4.494 5.682 1.00 0.00 H new ATOM 0 HA MET A 25 -5.230 -2.352 5.831 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.993 -4.080 4.167 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.607 -3.801 3.545 1.00 0.00 H new ATOM 0 HG2 MET A 25 -4.904 -2.867 2.047 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.948 -1.610 2.680 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.902 -2.462 4.713 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.237 -3.606 4.439 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.153 -3.166 3.099 1.00 0.00 H new ATOM 339 N ARG A 26 -8.143 -1.603 4.437 1.00 0.00 N ATOM 340 CA ARG A 26 -9.039 -0.495 4.126 1.00 0.00 C ATOM 341 C ARG A 26 -9.357 0.314 5.379 1.00 0.00 C ATOM 342 O ARG A 26 -9.671 1.503 5.300 1.00 0.00 O ATOM 343 CB ARG A 26 -10.333 -1.018 3.501 1.00 0.00 C ATOM 344 CG ARG A 26 -10.127 -1.722 2.169 1.00 0.00 C ATOM 345 CD ARG A 26 -10.558 -0.846 1.004 1.00 0.00 C ATOM 346 NE ARG A 26 -11.826 -1.287 0.428 1.00 0.00 N ATOM 347 CZ ARG A 26 -12.556 -0.544 -0.397 1.00 0.00 C ATOM 348 NH1 ARG A 26 -12.146 0.668 -0.742 1.00 0.00 N ATOM 349 NH2 ARG A 26 -13.699 -1.016 -0.879 1.00 0.00 N ATOM 0 H ARG A 26 -8.495 -2.520 4.161 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.536 0.157 3.411 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.809 -1.709 4.197 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.020 -0.184 3.359 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.076 -1.989 2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.695 -2.652 2.156 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.653 0.186 1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.786 -0.860 0.235 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.170 -2.216 0.672 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.268 1.033 -0.374 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.709 1.236 -1.376 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.017 -1.949 -0.616 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.260 -0.446 -1.512 1.00 0.00 H new ATOM 360 N HIS A 27 -9.274 -0.337 6.535 1.00 0.00 N ATOM 361 CA HIS A 27 -9.553 0.322 7.807 1.00 0.00 C ATOM 362 C HIS A 27 -8.458 1.330 8.147 1.00 0.00 C ATOM 363 O HIS A 27 -8.718 2.356 8.776 1.00 0.00 O ATOM 364 CB HIS A 27 -9.677 -0.712 8.925 1.00 0.00 C ATOM 365 CG HIS A 27 -10.047 -0.119 10.250 1.00 0.00 C ATOM 366 ND1 HIS A 27 -10.651 1.113 10.381 1.00 0.00 N ATOM 367 CD2 HIS A 27 -9.898 -0.599 11.507 1.00 0.00 C ATOM 368 CE1 HIS A 27 -10.855 1.367 11.661 1.00 0.00 C ATOM 369 NE2 HIS A 27 -10.407 0.343 12.366 1.00 0.00 N ATOM 0 H HIS A 27 -9.016 -1.320 6.618 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.498 0.857 7.712 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.428 -1.451 8.644 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.730 -1.242 9.025 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.460 -1.547 11.783 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.311 2.260 12.063 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.435 0.265 13.383 1.00 0.00 H new ATOM 376 N THR A 28 -7.232 1.029 7.729 1.00 0.00 N ATOM 377 CA THR A 28 -6.099 1.906 7.992 1.00 0.00 C ATOM 378 C THR A 28 -6.197 3.190 7.177 1.00 0.00 C ATOM 379 O THR A 28 -5.917 4.279 7.680 1.00 0.00 O ATOM 380 CB THR A 28 -4.763 1.208 7.673 1.00 0.00 C ATOM 381 OG1 THR A 28 -4.814 -0.162 8.087 1.00 0.00 O ATOM 382 CG2 THR A 28 -3.606 1.911 8.368 1.00 0.00 C ATOM 0 H THR A 28 -6.999 0.184 7.207 1.00 0.00 H new ATOM 0 HA THR A 28 -6.128 2.151 9.054 1.00 0.00 H new ATOM 0 HB THR A 28 -4.602 1.255 6.596 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.166 -0.712 7.356 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.673 1.401 8.128 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.552 2.945 8.028 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.763 1.891 9.446 1.00 0.00 H new ATOM 390 N ILE A 29 -6.595 3.056 5.917 1.00 0.00 N ATOM 391 CA ILE A 29 -6.731 4.207 5.033 1.00 0.00 C ATOM 392 C ILE A 29 -7.954 5.041 5.400 1.00 0.00 C ATOM 393 O ILE A 29 -7.879 6.266 5.491 1.00 0.00 O ATOM 394 CB ILE A 29 -6.843 3.775 3.559 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.551 3.091 3.106 1.00 0.00 C ATOM 396 CG2 ILE A 29 -7.151 4.975 2.676 1.00 0.00 C ATOM 397 CD1 ILE A 29 -5.483 1.625 3.470 1.00 0.00 C ATOM 0 H ILE A 29 -6.829 2.162 5.485 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.831 4.809 5.160 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.662 3.062 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.455 3.193 2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.701 3.607 3.552 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.227 4.653 1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.095 5.423 2.987 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.352 5.711 2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.540 1.206 3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.547 1.516 4.553 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.313 1.095 3.002 1.00 0.00 H new ATOM 408 N GLY A 30 -9.081 4.368 5.611 1.00 0.00 N ATOM 409 CA GLY A 30 -10.304 5.063 5.969 1.00 0.00 C ATOM 410 C GLY A 30 -10.141 5.924 7.205 1.00 0.00 C ATOM 411 O GLY A 30 -10.572 7.077 7.227 1.00 0.00 O ATOM 0 H GLY A 30 -9.169 3.354 5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.621 5.688 5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.096 4.334 6.140 1.00 0.00 H new ATOM 415 N GLN A 31 -9.520 5.363 8.238 1.00 0.00 N ATOM 416 CA GLN A 31 -9.305 6.088 9.485 1.00 0.00 C ATOM 417 C GLN A 31 -8.222 7.149 9.317 1.00 0.00 C ATOM 418 O GLN A 31 -8.354 8.268 9.812 1.00 0.00 O ATOM 419 CB GLN A 31 -8.918 5.120 10.602 1.00 0.00 C ATOM 420 CG GLN A 31 -10.104 4.610 11.404 1.00 0.00 C ATOM 421 CD GLN A 31 -10.706 5.676 12.298 1.00 0.00 C ATOM 422 OE1 GLN A 31 -9.993 6.364 13.029 1.00 0.00 O ATOM 423 NE2 GLN A 31 -12.025 5.818 12.245 1.00 0.00 N ATOM 0 H GLN A 31 -9.157 4.410 8.236 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.237 6.585 9.753 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.391 4.270 10.168 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.221 5.617 11.277 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.868 4.241 10.720 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.788 3.765 12.015 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.577 5.226 11.624 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.486 6.519 12.825 1.00 0.00 H new ATOM 430 N ALA A 32 -7.152 6.789 8.615 1.00 0.00 N ATOM 431 CA ALA A 32 -6.046 7.711 8.381 1.00 0.00 C ATOM 432 C ALA A 32 -6.496 8.906 7.549 1.00 0.00 C ATOM 433 O ALA A 32 -5.932 9.995 7.655 1.00 0.00 O ATOM 434 CB ALA A 32 -4.895 6.991 7.697 1.00 0.00 C ATOM 0 H ALA A 32 -7.027 5.866 8.199 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.703 8.083 9.347 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.077 7.691 7.529 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.549 6.174 8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.233 6.591 6.741 1.00 0.00 H new ATOM 440 N GLU A 33 -7.515 8.697 6.721 1.00 0.00 N ATOM 441 CA GLU A 33 -8.038 9.759 5.869 1.00 0.00 C ATOM 442 C GLU A 33 -8.804 10.790 6.694 1.00 0.00 C ATOM 443 O GLU A 33 -8.608 11.994 6.535 1.00 0.00 O ATOM 444 CB GLU A 33 -8.951 9.174 4.790 1.00 0.00 C ATOM 445 CG GLU A 33 -8.196 8.552 3.627 1.00 0.00 C ATOM 446 CD GLU A 33 -7.626 9.590 2.679 1.00 0.00 C ATOM 447 OE1 GLU A 33 -7.797 10.797 2.951 1.00 0.00 O ATOM 448 OE2 GLU A 33 -7.010 9.196 1.667 1.00 0.00 O ATOM 0 H GLU A 33 -7.995 7.802 6.622 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.194 10.255 5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.594 8.418 5.241 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.602 9.962 4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.385 7.935 4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.865 7.891 3.076 1.00 0.00 H new ATOM 453 N GLN A 34 -9.676 10.306 7.573 1.00 0.00 N ATOM 454 CA GLN A 34 -10.473 11.185 8.420 1.00 0.00 C ATOM 455 C GLN A 34 -9.584 12.183 9.156 1.00 0.00 C ATOM 456 O GLN A 34 -9.981 13.322 9.398 1.00 0.00 O ATOM 457 CB GLN A 34 -11.280 10.364 9.428 1.00 0.00 C ATOM 458 CG GLN A 34 -12.500 11.092 9.967 1.00 0.00 C ATOM 459 CD GLN A 34 -13.737 10.862 9.121 1.00 0.00 C ATOM 460 OE1 GLN A 34 -13.675 10.228 8.068 1.00 0.00 O ATOM 461 NE2 GLN A 34 -14.872 11.379 9.581 1.00 0.00 N ATOM 0 H GLN A 34 -9.848 9.311 7.717 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.160 11.739 7.781 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.601 9.436 8.954 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.633 10.090 10.261 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -12.695 10.761 10.987 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.290 12.161 10.014 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.877 11.898 10.459 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.738 11.257 9.056 1.00 0.00 H new ATOM 468 N ALA A 35 -8.379 11.747 9.509 1.00 0.00 N ATOM 469 CA ALA A 35 -7.434 12.602 10.216 1.00 0.00 C ATOM 470 C ALA A 35 -7.227 13.920 9.477 1.00 0.00 C ATOM 471 O ALA A 35 -7.280 14.994 10.076 1.00 0.00 O ATOM 472 CB ALA A 35 -6.106 11.883 10.398 1.00 0.00 C ATOM 0 H ALA A 35 -8.034 10.806 9.317 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.850 12.827 11.198 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.410 12.533 10.927 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.262 10.972 10.975 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.693 11.628 9.422 1.00 0.00 H new ATOM 478 N ALA A 36 -6.991 13.830 8.172 1.00 0.00 N ATOM 479 CA ALA A 36 -6.777 15.016 7.351 1.00 0.00 C ATOM 480 C ALA A 36 -7.912 16.019 7.530 1.00 0.00 C ATOM 481 O ALA A 36 -7.716 17.225 7.385 1.00 0.00 O ATOM 482 CB ALA A 36 -6.640 14.627 5.887 1.00 0.00 C ATOM 0 H ALA A 36 -6.943 12.949 7.661 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.852 15.491 7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.481 15.522 5.286 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.791 13.954 5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.550 14.126 5.557 1.00 0.00 H new ATOM 488 N MET A 37 -9.100 15.511 7.845 1.00 0.00 N ATOM 489 CA MET A 37 -10.267 16.364 8.043 1.00 0.00 C ATOM 490 C MET A 37 -10.279 16.948 9.452 1.00 0.00 C ATOM 491 O MET A 37 -10.520 18.141 9.637 1.00 0.00 O ATOM 492 CB MET A 37 -11.552 15.572 7.794 1.00 0.00 C ATOM 493 CG MET A 37 -11.533 14.775 6.500 1.00 0.00 C ATOM 494 SD MET A 37 -13.187 14.472 5.848 1.00 0.00 S ATOM 495 CE MET A 37 -12.803 13.532 4.373 1.00 0.00 C ATOM 0 H MET A 37 -9.280 14.515 7.968 1.00 0.00 H new ATOM 0 HA MET A 37 -10.212 17.186 7.329 1.00 0.00 H new ATOM 0 HB2 MET A 37 -11.717 14.890 8.629 1.00 0.00 H new ATOM 0 HB3 MET A 37 -12.396 16.261 7.774 1.00 0.00 H new ATOM 0 HG2 MET A 37 -10.946 15.312 5.755 1.00 0.00 H new ATOM 0 HG3 MET A 37 -11.034 13.821 6.672 1.00 0.00 H new ATOM 0 HE1 MET A 37 -13.727 13.269 3.858 1.00 0.00 H new ATOM 0 HE2 MET A 37 -12.177 14.132 3.712 1.00 0.00 H new ATOM 0 HE3 MET A 37 -12.271 12.622 4.650 1.00 0.00 H new ATOM 503 N SER A 38 -10.020 16.100 10.441 1.00 0.00 N ATOM 504 CA SER A 38 -10.007 16.531 11.834 1.00 0.00 C ATOM 505 C SER A 38 -9.101 17.744 12.018 1.00 0.00 C ATOM 506 O SER A 38 -9.514 18.765 12.568 1.00 0.00 O ATOM 507 CB SER A 38 -9.540 15.390 12.740 1.00 0.00 C ATOM 508 OG SER A 38 -10.210 14.182 12.425 1.00 0.00 O ATOM 0 H SER A 38 -9.816 15.110 10.304 1.00 0.00 H new ATOM 0 HA SER A 38 -11.023 16.812 12.111 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.464 15.252 12.631 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.724 15.650 13.782 1.00 0.00 H new ATOM 0 HG SER A 38 -9.893 13.468 13.017 1.00 0.00 H new ATOM 513 N ALA A 39 -7.861 17.625 11.554 1.00 0.00 N ATOM 514 CA ALA A 39 -6.895 18.712 11.664 1.00 0.00 C ATOM 515 C ALA A 39 -7.362 19.941 10.892 1.00 0.00 C ATOM 516 O ALA A 39 -6.996 21.069 11.223 1.00 0.00 O ATOM 517 CB ALA A 39 -5.532 18.259 11.166 1.00 0.00 C ATOM 0 H ALA A 39 -7.502 16.786 11.098 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.812 18.986 12.716 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.821 19.080 11.254 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.188 17.416 11.765 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.609 17.956 10.122 1.00 0.00 H new ATOM 523 N GLN A 40 -8.170 19.715 9.860 1.00 0.00 N ATOM 524 CA GLN A 40 -8.684 20.806 9.041 1.00 0.00 C ATOM 525 C GLN A 40 -9.943 21.406 9.660 1.00 0.00 C ATOM 526 O GLN A 40 -10.456 22.419 9.187 1.00 0.00 O ATOM 527 CB GLN A 40 -8.985 20.310 7.625 1.00 0.00 C ATOM 528 CG GLN A 40 -9.160 21.430 6.613 1.00 0.00 C ATOM 529 CD GLN A 40 -9.027 20.949 5.181 1.00 0.00 C ATOM 530 OE1 GLN A 40 -8.051 20.288 4.825 1.00 0.00 O ATOM 531 NE2 GLN A 40 -10.010 21.277 4.351 1.00 0.00 N ATOM 0 H GLN A 40 -8.482 18.788 9.572 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.920 21.582 8.993 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.175 19.659 7.297 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.892 19.705 7.646 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -10.140 21.888 6.749 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.417 22.205 6.802 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.800 21.826 4.688 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.975 20.980 3.376 1.00 0.00 H new ATOM 538 N ALA A 41 -10.434 20.773 10.720 1.00 0.00 N ATOM 539 CA ALA A 41 -11.631 21.245 11.404 1.00 0.00 C ATOM 540 C ALA A 41 -11.454 22.677 11.895 1.00 0.00 C ATOM 541 O ALA A 41 -12.431 23.394 12.118 1.00 0.00 O ATOM 542 CB ALA A 41 -11.972 20.325 12.567 1.00 0.00 C ATOM 0 H ALA A 41 -10.021 19.932 11.124 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.455 21.232 10.691 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.868 20.690 13.069 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.150 19.317 12.193 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.142 20.309 13.273 1.00 0.00 H new ATOM 548 N PHE A 42 -10.201 23.090 12.063 1.00 0.00 N ATOM 549 CA PHE A 42 -9.896 24.437 12.530 1.00 0.00 C ATOM 550 C PHE A 42 -10.623 25.482 11.687 1.00 0.00 C ATOM 551 O PHE A 42 -10.971 26.557 12.176 1.00 0.00 O ATOM 552 CB PHE A 42 -8.387 24.686 12.482 1.00 0.00 C ATOM 553 CG PHE A 42 -7.864 24.935 11.096 1.00 0.00 C ATOM 554 CD1 PHE A 42 -7.796 23.904 10.172 1.00 0.00 C ATOM 555 CD2 PHE A 42 -7.441 26.199 10.717 1.00 0.00 C ATOM 556 CE1 PHE A 42 -7.314 24.130 8.897 1.00 0.00 C ATOM 557 CE2 PHE A 42 -6.959 26.431 9.442 1.00 0.00 C ATOM 558 CZ PHE A 42 -6.897 25.395 8.531 1.00 0.00 C ATOM 0 H PHE A 42 -9.381 22.511 11.882 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.239 24.525 13.561 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.148 25.543 13.111 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.871 23.825 12.907 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.123 22.914 10.452 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.488 27.012 11.426 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.263 23.318 8.187 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.632 27.421 9.159 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.523 25.574 7.534 1.00 0.00 H new ATOM 567 N HIS A 43 -10.848 25.158 10.417 1.00 0.00 N ATOM 568 CA HIS A 43 -11.533 26.067 9.506 1.00 0.00 C ATOM 569 C HIS A 43 -11.944 25.347 8.226 1.00 0.00 C ATOM 570 O HIS A 43 -11.292 25.483 7.190 1.00 0.00 O ATOM 571 CB HIS A 43 -10.634 27.259 9.169 1.00 0.00 C ATOM 572 CG HIS A 43 -11.372 28.415 8.570 1.00 0.00 C ATOM 573 ND1 HIS A 43 -11.006 29.728 8.773 1.00 0.00 N ATOM 574 CD2 HIS A 43 -12.462 28.451 7.768 1.00 0.00 C ATOM 575 CE1 HIS A 43 -11.839 30.522 8.124 1.00 0.00 C ATOM 576 NE2 HIS A 43 -12.732 29.770 7.504 1.00 0.00 N ATOM 0 H HIS A 43 -10.566 24.273 9.996 1.00 0.00 H new ATOM 0 HA HIS A 43 -12.433 26.429 10.003 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.130 27.591 10.077 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.859 26.934 8.475 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -13.017 27.599 7.403 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -11.797 31.601 8.104 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -13.497 30.114 6.924 1.00 0.00 H new ATOM 583 N GLN A 44 -13.025 24.579 8.305 1.00 0.00 N ATOM 584 CA GLN A 44 -13.521 23.837 7.152 1.00 0.00 C ATOM 585 C GLN A 44 -14.175 24.772 6.142 1.00 0.00 C ATOM 586 O GLN A 44 -15.028 25.585 6.495 1.00 0.00 O ATOM 587 CB GLN A 44 -14.520 22.768 7.599 1.00 0.00 C ATOM 588 CG GLN A 44 -13.914 21.380 7.724 1.00 0.00 C ATOM 589 CD GLN A 44 -14.926 20.277 7.491 1.00 0.00 C ATOM 590 OE1 GLN A 44 -15.822 20.406 6.656 1.00 0.00 O ATOM 591 NE2 GLN A 44 -14.790 19.183 8.231 1.00 0.00 N ATOM 0 H GLN A 44 -13.574 24.454 9.155 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.672 23.352 6.671 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -14.943 23.058 8.561 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -15.344 22.732 6.886 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.100 21.278 7.007 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.480 21.266 8.717 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -14.033 19.118 8.911 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -15.443 18.407 8.119 1.00 0.00 H new ATOM 598 N GLY A 45 -13.770 24.651 4.881 1.00 0.00 N ATOM 599 CA GLY A 45 -14.327 25.492 3.839 1.00 0.00 C ATOM 600 C GLY A 45 -13.320 25.812 2.751 1.00 0.00 C ATOM 601 O GLY A 45 -13.695 26.129 1.624 1.00 0.00 O ATOM 0 H GLY A 45 -13.066 23.985 4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -15.189 24.993 3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.688 26.421 4.280 1.00 0.00 H new ATOM 605 N GLU A 46 -12.038 25.730 3.092 1.00 0.00 N ATOM 606 CA GLU A 46 -10.975 26.015 2.135 1.00 0.00 C ATOM 607 C GLU A 46 -9.995 24.849 2.046 1.00 0.00 C ATOM 608 O GLU A 46 -9.648 24.236 3.056 1.00 0.00 O ATOM 609 CB GLU A 46 -10.229 27.292 2.533 1.00 0.00 C ATOM 610 CG GLU A 46 -9.222 27.757 1.495 1.00 0.00 C ATOM 611 CD GLU A 46 -7.919 28.222 2.115 1.00 0.00 C ATOM 612 OE1 GLU A 46 -7.055 27.365 2.394 1.00 0.00 O ATOM 613 OE2 GLU A 46 -7.763 29.444 2.319 1.00 0.00 O ATOM 0 H GLU A 46 -11.710 25.469 4.022 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.432 26.159 1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.954 28.087 2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.712 27.121 3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.019 26.942 0.800 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.655 28.571 0.914 1.00 0.00 H new ATOM 618 N SER A 47 -9.554 24.545 0.829 1.00 0.00 N ATOM 619 CA SER A 47 -8.618 23.449 0.607 1.00 0.00 C ATOM 620 C SER A 47 -7.504 23.872 -0.346 1.00 0.00 C ATOM 621 O SER A 47 -7.759 24.238 -1.494 1.00 0.00 O ATOM 622 CB SER A 47 -9.352 22.231 0.043 1.00 0.00 C ATOM 623 OG SER A 47 -8.548 21.541 -0.897 1.00 0.00 O ATOM 0 H SER A 47 -9.830 25.042 -0.018 1.00 0.00 H new ATOM 0 HA SER A 47 -8.172 23.184 1.565 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.625 21.558 0.856 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.280 22.550 -0.432 1.00 0.00 H new ATOM 0 HG SER A 47 -9.039 20.766 -1.241 1.00 0.00 H new ATOM 628 N SER A 48 -6.267 23.817 0.138 1.00 0.00 N ATOM 629 CA SER A 48 -5.113 24.197 -0.667 1.00 0.00 C ATOM 630 C SER A 48 -4.967 23.277 -1.875 1.00 0.00 C ATOM 631 O SER A 48 -5.141 22.064 -1.769 1.00 0.00 O ATOM 632 CB SER A 48 -3.839 24.156 0.177 1.00 0.00 C ATOM 633 OG SER A 48 -3.915 25.066 1.261 1.00 0.00 O ATOM 0 H SER A 48 -6.039 23.513 1.084 1.00 0.00 H new ATOM 0 HA SER A 48 -5.270 25.215 -1.024 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.683 23.146 0.556 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.978 24.399 -0.446 1.00 0.00 H new ATOM 0 HG SER A 48 -3.089 25.019 1.786 1.00 0.00 H new ATOM 638 N ALA A 49 -4.646 23.864 -3.024 1.00 0.00 N ATOM 639 CA ALA A 49 -4.473 23.098 -4.251 1.00 0.00 C ATOM 640 C ALA A 49 -3.460 21.974 -4.059 1.00 0.00 C ATOM 641 O ALA A 49 -3.649 20.864 -4.557 1.00 0.00 O ATOM 642 CB ALA A 49 -4.041 24.012 -5.388 1.00 0.00 C ATOM 0 H ALA A 49 -4.501 24.868 -3.130 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.432 22.647 -4.506 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.916 23.426 -6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.802 24.776 -5.550 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.096 24.490 -5.131 1.00 0.00 H new ATOM 648 N ALA A 50 -2.385 22.270 -3.336 1.00 0.00 N ATOM 649 CA ALA A 50 -1.344 21.284 -3.079 1.00 0.00 C ATOM 650 C ALA A 50 -1.888 20.107 -2.276 1.00 0.00 C ATOM 651 O ALA A 50 -1.635 18.948 -2.606 1.00 0.00 O ATOM 652 CB ALA A 50 -0.175 21.929 -2.347 1.00 0.00 C ATOM 0 H ALA A 50 -2.213 23.184 -2.918 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.993 20.904 -4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.596 21.181 -2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.238 22.732 -2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.521 22.337 -1.397 1.00 0.00 H new ATOM 658 N PHE A 51 -2.636 20.412 -1.221 1.00 0.00 N ATOM 659 CA PHE A 51 -3.215 19.378 -0.370 1.00 0.00 C ATOM 660 C PHE A 51 -4.070 18.415 -1.188 1.00 0.00 C ATOM 661 O PHE A 51 -4.129 17.222 -0.896 1.00 0.00 O ATOM 662 CB PHE A 51 -4.060 20.014 0.736 1.00 0.00 C ATOM 663 CG PHE A 51 -4.845 19.016 1.539 1.00 0.00 C ATOM 664 CD1 PHE A 51 -4.282 18.399 2.644 1.00 0.00 C ATOM 665 CD2 PHE A 51 -6.146 18.696 1.188 1.00 0.00 C ATOM 666 CE1 PHE A 51 -5.001 17.480 3.384 1.00 0.00 C ATOM 667 CE2 PHE A 51 -6.871 17.778 1.925 1.00 0.00 C ATOM 668 CZ PHE A 51 -6.298 17.170 3.024 1.00 0.00 C ATOM 0 H PHE A 51 -2.856 21.366 -0.935 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.398 18.815 0.083 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.407 20.574 1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.749 20.731 0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.269 18.639 2.931 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.599 19.169 0.329 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.550 17.005 4.242 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.885 17.537 1.641 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.863 16.453 3.601 1.00 0.00 H new ATOM 677 N GLN A 52 -4.729 18.944 -2.214 1.00 0.00 N ATOM 678 CA GLN A 52 -5.580 18.131 -3.074 1.00 0.00 C ATOM 679 C GLN A 52 -4.746 17.180 -3.925 1.00 0.00 C ATOM 680 O GLN A 52 -4.971 15.970 -3.922 1.00 0.00 O ATOM 681 CB GLN A 52 -6.433 19.026 -3.976 1.00 0.00 C ATOM 682 CG GLN A 52 -7.359 18.253 -4.900 1.00 0.00 C ATOM 683 CD GLN A 52 -8.770 18.144 -4.354 1.00 0.00 C ATOM 684 OE1 GLN A 52 -9.442 19.152 -4.133 1.00 0.00 O ATOM 685 NE2 GLN A 52 -9.226 16.917 -4.134 1.00 0.00 N ATOM 0 H GLN A 52 -4.690 19.931 -2.469 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.236 17.538 -2.436 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.029 19.693 -3.353 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.775 19.654 -4.577 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.387 18.743 -5.873 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.956 17.253 -5.058 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.634 16.110 -4.332 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.168 16.781 -3.767 1.00 0.00 H new ATOM 692 N ALA A 53 -3.781 17.734 -4.651 1.00 0.00 N ATOM 693 CA ALA A 53 -2.912 16.935 -5.505 1.00 0.00 C ATOM 694 C ALA A 53 -2.307 15.767 -4.733 1.00 0.00 C ATOM 695 O ALA A 53 -2.118 14.681 -5.279 1.00 0.00 O ATOM 696 CB ALA A 53 -1.814 17.802 -6.100 1.00 0.00 C ATOM 0 H ALA A 53 -3.581 18.734 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.516 16.527 -6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.173 17.192 -6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.261 18.599 -6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.220 18.238 -5.297 1.00 0.00 H new ATOM 702 N ALA A 54 -2.004 15.999 -3.460 1.00 0.00 N ATOM 703 CA ALA A 54 -1.421 14.966 -2.612 1.00 0.00 C ATOM 704 C ALA A 54 -2.484 13.979 -2.141 1.00 0.00 C ATOM 705 O ALA A 54 -2.208 12.791 -1.969 1.00 0.00 O ATOM 706 CB ALA A 54 -0.719 15.597 -1.419 1.00 0.00 C ATOM 0 H ALA A 54 -2.153 16.894 -2.993 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.688 14.417 -3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.288 14.814 -0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.073 16.258 -1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.438 16.172 -0.836 1.00 0.00 H new ATOM 712 N HIS A 55 -3.699 14.478 -1.935 1.00 0.00 N ATOM 713 CA HIS A 55 -4.802 13.637 -1.484 1.00 0.00 C ATOM 714 C HIS A 55 -5.255 12.693 -2.593 1.00 0.00 C ATOM 715 O HIS A 55 -5.677 11.568 -2.329 1.00 0.00 O ATOM 716 CB HIS A 55 -5.976 14.504 -1.026 1.00 0.00 C ATOM 717 CG HIS A 55 -7.194 13.716 -0.656 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.098 13.069 -1.428 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -7.601 13.526 0.647 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.024 12.504 -0.586 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -8.701 12.794 0.662 1.00 0.00 N flip ATOM 0 H HIS A 55 -3.944 15.458 -2.073 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.450 13.039 -0.643 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.664 15.099 -0.168 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.233 15.203 -1.822 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.099 13.915 1.520 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.877 11.918 -0.894 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.213 12.503 1.495 1.00 0.00 H new ATOM 728 N ALA A 56 -5.166 13.159 -3.834 1.00 0.00 N ATOM 729 CA ALA A 56 -5.565 12.356 -4.983 1.00 0.00 C ATOM 730 C ALA A 56 -4.576 11.220 -5.228 1.00 0.00 C ATOM 731 O ALA A 56 -4.952 10.151 -5.710 1.00 0.00 O ATOM 732 CB ALA A 56 -5.685 13.230 -6.222 1.00 0.00 C ATOM 0 H ALA A 56 -4.821 14.089 -4.070 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.539 11.916 -4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.984 12.617 -7.072 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.434 14.003 -6.051 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.723 13.698 -6.432 1.00 0.00 H new ATOM 738 N ARG A 57 -3.313 11.459 -4.894 1.00 0.00 N ATOM 739 CA ARG A 57 -2.271 10.456 -5.080 1.00 0.00 C ATOM 740 C ARG A 57 -2.544 9.223 -4.225 1.00 0.00 C ATOM 741 O ARG A 57 -2.401 8.091 -4.686 1.00 0.00 O ATOM 742 CB ARG A 57 -0.902 11.042 -4.728 1.00 0.00 C ATOM 743 CG ARG A 57 -0.347 11.977 -5.790 1.00 0.00 C ATOM 744 CD ARG A 57 0.915 12.677 -5.311 1.00 0.00 C ATOM 745 NE ARG A 57 2.124 11.978 -5.739 1.00 0.00 N ATOM 746 CZ ARG A 57 3.353 12.378 -5.429 1.00 0.00 C ATOM 747 NH1 ARG A 57 3.533 13.467 -4.694 1.00 0.00 N ATOM 748 NH2 ARG A 57 4.403 11.688 -5.855 1.00 0.00 N ATOM 0 H ARG A 57 -2.986 12.338 -4.493 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.272 10.157 -6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.980 11.583 -3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.197 10.226 -4.570 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.129 11.412 -6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.100 12.721 -6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.931 13.697 -5.694 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.901 12.745 -4.223 1.00 0.00 H new ATOM 0 HE ARG A 57 2.019 11.137 -6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.727 13.999 -4.365 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.477 13.772 -4.457 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.267 10.850 -6.421 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.346 11.995 -5.617 1.00 0.00 H new ATOM 759 N PHE A 58 -2.937 9.451 -2.976 1.00 0.00 N ATOM 760 CA PHE A 58 -3.229 8.358 -2.055 1.00 0.00 C ATOM 761 C PHE A 58 -4.376 7.498 -2.578 1.00 0.00 C ATOM 762 O PHE A 58 -4.242 6.282 -2.715 1.00 0.00 O ATOM 763 CB PHE A 58 -3.581 8.909 -0.671 1.00 0.00 C ATOM 764 CG PHE A 58 -3.465 7.891 0.427 1.00 0.00 C ATOM 765 CD1 PHE A 58 -4.297 6.784 0.454 1.00 0.00 C ATOM 766 CD2 PHE A 58 -2.522 8.040 1.431 1.00 0.00 C ATOM 767 CE1 PHE A 58 -4.192 5.846 1.463 1.00 0.00 C ATOM 768 CE2 PHE A 58 -2.413 7.106 2.443 1.00 0.00 C ATOM 769 CZ PHE A 58 -3.248 6.006 2.458 1.00 0.00 C ATOM 0 H PHE A 58 -3.061 10.382 -2.578 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.338 7.736 -1.975 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.925 9.750 -0.446 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.600 9.295 -0.691 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.036 6.653 -0.322 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.864 8.897 1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.848 4.988 1.473 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.676 7.236 3.221 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.163 5.273 3.246 1.00 0.00 H new ATOM 778 N VAL A 59 -5.504 8.138 -2.869 1.00 0.00 N ATOM 779 CA VAL A 59 -6.674 7.433 -3.377 1.00 0.00 C ATOM 780 C VAL A 59 -6.372 6.754 -4.709 1.00 0.00 C ATOM 781 O VAL A 59 -6.920 5.698 -5.018 1.00 0.00 O ATOM 782 CB VAL A 59 -7.869 8.387 -3.560 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.464 9.598 -4.386 1.00 0.00 C ATOM 784 CG2 VAL A 59 -9.039 7.658 -4.204 1.00 0.00 C ATOM 0 H VAL A 59 -5.632 9.144 -2.761 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.933 6.676 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.186 8.737 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.321 10.261 -4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.660 10.132 -3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.120 9.271 -5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.875 8.347 -4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.738 7.277 -5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.344 6.827 -3.568 1.00 0.00 H new ATOM 794 N ALA A 60 -5.495 7.371 -5.495 1.00 0.00 N ATOM 795 CA ALA A 60 -5.116 6.825 -6.792 1.00 0.00 C ATOM 796 C ALA A 60 -4.243 5.586 -6.634 1.00 0.00 C ATOM 797 O ALA A 60 -4.304 4.664 -7.447 1.00 0.00 O ATOM 798 CB ALA A 60 -4.394 7.879 -7.618 1.00 0.00 C ATOM 0 H ALA A 60 -5.034 8.249 -5.256 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.027 6.531 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.117 7.457 -8.584 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.052 8.735 -7.771 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.496 8.201 -7.092 1.00 0.00 H new ATOM 804 N ALA A 61 -3.432 5.570 -5.581 1.00 0.00 N ATOM 805 CA ALA A 61 -2.547 4.442 -5.316 1.00 0.00 C ATOM 806 C ALA A 61 -3.306 3.289 -4.667 1.00 0.00 C ATOM 807 O ALA A 61 -3.067 2.123 -4.979 1.00 0.00 O ATOM 808 CB ALA A 61 -1.389 4.877 -4.431 1.00 0.00 C ATOM 0 H ALA A 61 -3.370 6.325 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.151 4.091 -6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.736 4.025 -4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.824 5.663 -4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.776 5.255 -3.485 1.00 0.00 H new ATOM 814 N ALA A 62 -4.222 3.624 -3.764 1.00 0.00 N ATOM 815 CA ALA A 62 -5.017 2.617 -3.073 1.00 0.00 C ATOM 816 C ALA A 62 -5.670 1.659 -4.063 1.00 0.00 C ATOM 817 O ALA A 62 -5.881 0.486 -3.758 1.00 0.00 O ATOM 818 CB ALA A 62 -6.073 3.283 -2.204 1.00 0.00 C ATOM 0 H ALA A 62 -4.432 4.585 -3.494 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.350 2.038 -2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.659 2.519 -1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.587 3.921 -1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.730 3.887 -2.829 1.00 0.00 H new ATOM 824 N ALA A 63 -5.989 2.168 -5.248 1.00 0.00 N ATOM 825 CA ALA A 63 -6.618 1.357 -6.283 1.00 0.00 C ATOM 826 C ALA A 63 -5.777 0.126 -6.603 1.00 0.00 C ATOM 827 O ALA A 63 -6.303 -0.911 -7.006 1.00 0.00 O ATOM 828 CB ALA A 63 -6.843 2.185 -7.540 1.00 0.00 C ATOM 0 H ALA A 63 -5.822 3.138 -5.515 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.583 1.018 -5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.313 1.566 -8.304 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.491 3.030 -7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.886 2.553 -7.910 1.00 0.00 H new ATOM 834 N LYS A 64 -4.466 0.248 -6.422 1.00 0.00 N ATOM 835 CA LYS A 64 -3.550 -0.855 -6.691 1.00 0.00 C ATOM 836 C LYS A 64 -3.659 -1.928 -5.612 1.00 0.00 C ATOM 837 O LYS A 64 -3.853 -3.105 -5.911 1.00 0.00 O ATOM 838 CB LYS A 64 -2.110 -0.341 -6.772 1.00 0.00 C ATOM 839 CG LYS A 64 -1.098 -1.421 -7.111 1.00 0.00 C ATOM 840 CD LYS A 64 -1.222 -1.869 -8.557 1.00 0.00 C ATOM 841 CE LYS A 64 -2.080 -3.119 -8.682 1.00 0.00 C ATOM 842 NZ LYS A 64 -2.591 -3.305 -10.068 1.00 0.00 N ATOM 0 H LYS A 64 -4.014 1.100 -6.090 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.825 -1.298 -7.648 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.055 0.446 -7.525 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.840 0.112 -5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.091 -1.046 -6.931 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.243 -2.276 -6.451 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.658 -1.066 -9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.230 -2.065 -8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.495 -3.991 -8.391 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.920 -3.053 -7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.171 -4.167 -10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.170 -2.484 -10.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.789 -3.394 -10.725 1.00 0.00 H new ATOM 852 N VAL A 65 -3.533 -1.511 -4.355 1.00 0.00 N ATOM 853 CA VAL A 65 -3.619 -2.435 -3.232 1.00 0.00 C ATOM 854 C VAL A 65 -4.914 -3.239 -3.279 1.00 0.00 C ATOM 855 O VAL A 65 -4.936 -4.420 -2.934 1.00 0.00 O ATOM 856 CB VAL A 65 -3.539 -1.691 -1.886 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.483 -2.681 -0.731 1.00 0.00 C ATOM 858 CG2 VAL A 65 -2.333 -0.764 -1.862 1.00 0.00 C ATOM 0 H VAL A 65 -3.371 -0.539 -4.090 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.770 -3.114 -3.315 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.438 -1.085 -1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.427 -2.137 0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.379 -3.301 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.603 -3.315 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.291 -0.246 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.423 -1.348 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.420 -0.033 -2.666 1.00 0.00 H new ATOM 868 N ASN A 66 -5.991 -2.590 -3.710 1.00 0.00 N ATOM 869 CA ASN A 66 -7.290 -3.244 -3.803 1.00 0.00 C ATOM 870 C ASN A 66 -7.315 -4.246 -4.954 1.00 0.00 C ATOM 871 O ASN A 66 -7.802 -5.367 -4.807 1.00 0.00 O ATOM 872 CB ASN A 66 -8.396 -2.204 -3.993 1.00 0.00 C ATOM 873 CG ASN A 66 -9.581 -2.754 -4.765 1.00 0.00 C ATOM 874 OD1 ASN A 66 -10.539 -3.255 -4.177 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.519 -2.661 -6.088 1.00 0.00 N ATOM 0 H ASN A 66 -5.989 -1.612 -4.000 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.464 -3.784 -2.872 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.733 -1.853 -3.017 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.992 -1.340 -4.520 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.286 -3.013 -6.661 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.704 -2.237 -6.532 1.00 0.00 H new ATOM 881 N THR A 67 -6.786 -3.833 -6.102 1.00 0.00 N ATOM 882 CA THR A 67 -6.746 -4.691 -7.278 1.00 0.00 C ATOM 883 C THR A 67 -5.951 -5.962 -7.005 1.00 0.00 C ATOM 884 O THR A 67 -6.313 -7.045 -7.467 1.00 0.00 O ATOM 885 CB THR A 67 -6.128 -3.962 -8.486 1.00 0.00 C ATOM 886 OG1 THR A 67 -6.924 -2.823 -8.831 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.020 -4.893 -9.684 1.00 0.00 C ATOM 0 H THR A 67 -6.379 -2.908 -6.241 1.00 0.00 H new ATOM 0 HA THR A 67 -7.778 -4.954 -7.511 1.00 0.00 H new ATOM 0 HB THR A 67 -5.126 -3.634 -8.210 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.685 -2.070 -8.252 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.581 -4.355 -10.524 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.389 -5.744 -9.428 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.013 -5.248 -9.960 1.00 0.00 H new ATOM 895 N LEU A 68 -4.866 -5.825 -6.251 1.00 0.00 N ATOM 896 CA LEU A 68 -4.018 -6.964 -5.915 1.00 0.00 C ATOM 897 C LEU A 68 -4.664 -7.821 -4.830 1.00 0.00 C ATOM 898 O LEU A 68 -4.432 -9.029 -4.759 1.00 0.00 O ATOM 899 CB LEU A 68 -2.643 -6.482 -5.449 1.00 0.00 C ATOM 900 CG LEU A 68 -1.844 -5.658 -6.459 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.869 -4.735 -5.742 1.00 0.00 C ATOM 902 CD2 LEU A 68 -1.104 -6.570 -7.425 1.00 0.00 C ATOM 0 H LEU A 68 -4.552 -4.936 -5.860 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.898 -7.573 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.776 -5.885 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.050 -7.353 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.540 -5.045 -7.031 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.309 -4.156 -6.476 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.421 -4.058 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.178 -5.329 -5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.541 -5.966 -8.137 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.418 -7.209 -6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.822 -7.189 -7.963 1.00 0.00 H new ATOM 913 N LEU A 69 -5.475 -7.190 -3.989 1.00 0.00 N ATOM 914 CA LEU A 69 -6.157 -7.895 -2.910 1.00 0.00 C ATOM 915 C LEU A 69 -7.124 -8.936 -3.463 1.00 0.00 C ATOM 916 O LEU A 69 -7.268 -10.024 -2.905 1.00 0.00 O ATOM 917 CB LEU A 69 -6.911 -6.903 -2.022 1.00 0.00 C ATOM 918 CG LEU A 69 -6.154 -6.390 -0.796 1.00 0.00 C ATOM 919 CD1 LEU A 69 -6.994 -5.372 -0.039 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.766 -7.545 0.114 1.00 0.00 C ATOM 0 H LEU A 69 -5.677 -6.191 -4.033 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.403 -8.408 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.198 -6.046 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.832 -7.377 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.242 -5.899 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.440 -5.018 0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.221 -4.530 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.923 -5.838 0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.228 -7.161 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.665 -8.065 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.126 -8.239 -0.431 1.00 0.00 H new ATOM 931 N ASP A 70 -7.782 -8.596 -4.567 1.00 0.00 N ATOM 932 CA ASP A 70 -8.733 -9.503 -5.199 1.00 0.00 C ATOM 933 C ASP A 70 -8.009 -10.551 -6.039 1.00 0.00 C ATOM 934 O ASP A 70 -8.418 -11.712 -6.092 1.00 0.00 O ATOM 935 CB ASP A 70 -9.714 -8.720 -6.073 1.00 0.00 C ATOM 936 CG ASP A 70 -11.089 -9.355 -6.113 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.249 -10.383 -6.804 1.00 0.00 O ATOM 938 OD2 ASP A 70 -12.006 -8.824 -5.452 1.00 0.00 O ATOM 0 H ASP A 70 -7.674 -7.700 -5.042 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.288 -10.014 -4.412 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.799 -7.701 -5.695 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.319 -8.653 -7.087 1.00 0.00 H new ATOM 942 N VAL A 71 -6.931 -10.135 -6.696 1.00 0.00 N ATOM 943 CA VAL A 71 -6.150 -11.037 -7.533 1.00 0.00 C ATOM 944 C VAL A 71 -5.390 -12.052 -6.687 1.00 0.00 C ATOM 945 O VAL A 71 -5.208 -13.200 -7.091 1.00 0.00 O ATOM 946 CB VAL A 71 -5.147 -10.262 -8.409 1.00 0.00 C ATOM 947 CG1 VAL A 71 -4.321 -11.222 -9.252 1.00 0.00 C ATOM 948 CG2 VAL A 71 -5.874 -9.258 -9.290 1.00 0.00 C ATOM 0 H VAL A 71 -6.579 -9.178 -6.664 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.855 -11.561 -8.178 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.469 -9.714 -7.755 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.618 -10.657 -9.864 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.770 -11.899 -8.599 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.982 -11.800 -9.898 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.150 -8.720 -9.902 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.577 -9.783 -9.937 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.417 -8.550 -8.664 1.00 0.00 H new ATOM 958 N ALA A 72 -4.949 -11.622 -5.510 1.00 0.00 N ATOM 959 CA ALA A 72 -4.210 -12.494 -4.605 1.00 0.00 C ATOM 960 C ALA A 72 -5.075 -13.660 -4.139 1.00 0.00 C ATOM 961 O ALA A 72 -4.661 -14.817 -4.208 1.00 0.00 O ATOM 962 CB ALA A 72 -3.699 -11.703 -3.409 1.00 0.00 C ATOM 0 H ALA A 72 -5.091 -10.674 -5.160 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.357 -12.902 -5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.149 -12.367 -2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.039 -10.907 -3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.543 -11.268 -2.873 1.00 0.00 H new ATOM 968 N GLN A 73 -6.277 -13.347 -3.666 1.00 0.00 N ATOM 969 CA GLN A 73 -7.199 -14.370 -3.187 1.00 0.00 C ATOM 970 C GLN A 73 -7.760 -15.184 -4.349 1.00 0.00 C ATOM 971 O GLN A 73 -8.014 -16.380 -4.217 1.00 0.00 O ATOM 972 CB GLN A 73 -8.342 -13.729 -2.399 1.00 0.00 C ATOM 973 CG GLN A 73 -7.872 -12.764 -1.323 1.00 0.00 C ATOM 974 CD GLN A 73 -9.015 -12.002 -0.681 1.00 0.00 C ATOM 975 OE1 GLN A 73 -9.765 -11.297 -1.359 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.156 -12.140 0.632 1.00 0.00 N ATOM 0 H GLN A 73 -6.635 -12.394 -3.604 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.647 -15.042 -2.530 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.996 -13.198 -3.091 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.938 -14.515 -1.935 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.333 -13.318 -0.554 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.168 -12.055 -1.759 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.512 -12.734 1.154 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.908 -11.652 1.118 1.00 0.00 H new ATOM 983 N ALA A 74 -7.952 -14.524 -5.487 1.00 0.00 N ATOM 984 CA ALA A 74 -8.482 -15.186 -6.673 1.00 0.00 C ATOM 985 C ALA A 74 -7.462 -16.153 -7.264 1.00 0.00 C ATOM 986 O ALA A 74 -7.818 -17.226 -7.749 1.00 0.00 O ATOM 987 CB ALA A 74 -8.898 -14.155 -7.711 1.00 0.00 C ATOM 0 H ALA A 74 -7.749 -13.532 -5.612 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.359 -15.761 -6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.292 -14.663 -8.591 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.667 -13.507 -7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.033 -13.555 -7.995 1.00 0.00 H new ATOM 993 N ASN A 75 -6.191 -15.766 -7.220 1.00 0.00 N ATOM 994 CA ASN A 75 -5.119 -16.598 -7.753 1.00 0.00 C ATOM 995 C ASN A 75 -4.837 -17.778 -6.829 1.00 0.00 C ATOM 996 O ASN A 75 -4.605 -18.898 -7.286 1.00 0.00 O ATOM 997 CB ASN A 75 -3.847 -15.769 -7.943 1.00 0.00 C ATOM 998 CG ASN A 75 -3.806 -15.074 -9.290 1.00 0.00 C ATOM 999 OD1 ASN A 75 -2.804 -15.139 -10.004 1.00 0.00 O ATOM 1000 ND2 ASN A 75 -4.897 -14.405 -9.644 1.00 0.00 N ATOM 0 H ASN A 75 -5.879 -14.881 -6.820 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.440 -16.985 -8.720 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.781 -15.024 -7.150 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.976 -16.417 -7.845 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.928 -13.918 -10.540 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.704 -14.378 -9.020 1.00 0.00 H new ATOM 1006 N LEU A 76 -4.859 -17.521 -5.526 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.605 -18.562 -4.535 1.00 0.00 C ATOM 1008 C LEU A 76 -5.814 -19.480 -4.390 1.00 0.00 C ATOM 1009 O LEU A 76 -5.673 -20.674 -4.131 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.261 -17.935 -3.184 1.00 0.00 C ATOM 1011 CG LEU A 76 -2.973 -17.112 -3.134 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -2.861 -16.375 -1.809 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -1.761 -18.005 -3.352 1.00 0.00 C ATOM 0 H LEU A 76 -5.050 -16.600 -5.130 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.758 -19.157 -4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.090 -17.295 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.188 -18.732 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.006 -16.374 -3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.938 -15.795 -1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.713 -15.705 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.851 -17.096 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.853 -17.403 -3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.725 -18.766 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.835 -18.487 -4.327 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.006 -18.915 -4.561 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.223 -19.697 -4.446 1.00 0.00 C ATOM 1026 C GLY A 77 -8.591 -19.987 -3.005 1.00 0.00 C ATOM 1027 O GLY A 77 -9.632 -19.540 -2.523 1.00 0.00 O ATOM 0 H GLY A 77 -7.150 -17.929 -4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.042 -19.162 -4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.099 -20.638 -4.983 1.00 0.00 H new ATOM 1031 N GLU A 78 -7.738 -20.739 -2.317 1.00 0.00 N ATOM 1032 CA GLU A 78 -7.983 -21.090 -0.923 1.00 0.00 C ATOM 1033 C GLU A 78 -8.277 -19.844 -0.091 1.00 0.00 C ATOM 1034 O GLU A 78 -9.085 -19.881 0.836 1.00 0.00 O ATOM 1035 CB GLU A 78 -6.778 -21.832 -0.341 1.00 0.00 C ATOM 1036 CG GLU A 78 -6.360 -23.046 -1.154 1.00 0.00 C ATOM 1037 CD GLU A 78 -5.761 -24.144 -0.296 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -4.577 -24.020 0.082 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -6.476 -25.125 -0.002 1.00 0.00 O ATOM 0 H GLU A 78 -6.872 -21.117 -2.702 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.855 -21.743 -0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.936 -21.143 -0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.013 -22.149 0.675 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.226 -23.438 -1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.634 -22.742 -1.908 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.615 -18.744 -0.432 1.00 0.00 N ATOM 1045 CA ALA A 79 -7.806 -17.486 0.281 1.00 0.00 C ATOM 1046 C ALA A 79 -9.274 -17.074 0.283 1.00 0.00 C ATOM 1047 O ALA A 79 -9.858 -16.826 1.337 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.949 -16.392 -0.339 1.00 0.00 C ATOM 0 H ALA A 79 -6.942 -18.698 -1.197 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.495 -17.632 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.102 -15.459 0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.898 -16.677 -0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.232 -16.256 -1.383 1.00 0.00 H new ATOM 1054 N ALA A 80 -9.864 -17.001 -0.906 1.00 0.00 N ATOM 1055 CA ALA A 80 -11.265 -16.619 -1.040 1.00 0.00 C ATOM 1056 C ALA A 80 -12.085 -17.748 -1.656 1.00 0.00 C ATOM 1057 O ALA A 80 -12.830 -18.437 -0.959 1.00 0.00 O ATOM 1058 CB ALA A 80 -11.389 -15.356 -1.880 1.00 0.00 C ATOM 0 H ALA A 80 -9.394 -17.201 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.659 -16.420 -0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.440 -15.082 -1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.843 -14.544 -1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.973 -15.536 -2.871 1.00 0.00 H new ATOM 1064 N GLY A 81 -11.943 -17.931 -2.965 1.00 0.00 N ATOM 1065 CA GLY A 81 -12.678 -18.978 -3.651 1.00 0.00 C ATOM 1066 C GLY A 81 -13.457 -18.455 -4.841 1.00 0.00 C ATOM 1067 O GLY A 81 -14.601 -18.849 -5.068 1.00 0.00 O ATOM 0 H GLY A 81 -11.333 -17.373 -3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.982 -19.747 -3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.365 -19.453 -2.951 1.00 0.00 H new ATOM 1071 N THR A 82 -12.836 -17.560 -5.605 1.00 0.00 N ATOM 1072 CA THR A 82 -13.479 -16.979 -6.778 1.00 0.00 C ATOM 1073 C THR A 82 -12.446 -16.504 -7.792 1.00 0.00 C ATOM 1074 O THR A 82 -11.247 -16.491 -7.512 1.00 0.00 O ATOM 1075 CB THR A 82 -14.386 -15.795 -6.392 1.00 0.00 C ATOM 1076 OG1 THR A 82 -15.156 -15.378 -7.525 1.00 0.00 O ATOM 1077 CG2 THR A 82 -13.560 -14.627 -5.876 1.00 0.00 C ATOM 0 H THR A 82 -11.889 -17.222 -5.432 1.00 0.00 H new ATOM 0 HA THR A 82 -14.089 -17.764 -7.226 1.00 0.00 H new ATOM 0 HB THR A 82 -15.057 -16.123 -5.598 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.731 -14.626 -7.271 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.222 -13.803 -5.610 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.998 -14.940 -4.996 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.868 -14.300 -6.652 1.00 0.00 H new ATOM 1085 N TYR A 83 -12.919 -16.114 -8.971 1.00 0.00 N ATOM 1086 CA TYR A 83 -12.034 -15.639 -10.029 1.00 0.00 C ATOM 1087 C TYR A 83 -12.771 -14.691 -10.971 1.00 0.00 C ATOM 1088 O TYR A 83 -14.001 -14.684 -11.025 1.00 0.00 O ATOM 1089 CB TYR A 83 -11.468 -16.821 -10.817 1.00 0.00 C ATOM 1090 CG TYR A 83 -12.429 -17.382 -11.841 1.00 0.00 C ATOM 1091 CD1 TYR A 83 -12.550 -16.807 -13.100 1.00 0.00 C ATOM 1092 CD2 TYR A 83 -13.215 -18.490 -11.549 1.00 0.00 C ATOM 1093 CE1 TYR A 83 -13.428 -17.316 -14.037 1.00 0.00 C ATOM 1094 CE2 TYR A 83 -14.095 -19.008 -12.481 1.00 0.00 C ATOM 1095 CZ TYR A 83 -14.197 -18.417 -13.723 1.00 0.00 C ATOM 1096 OH TYR A 83 -15.072 -18.928 -14.654 1.00 0.00 O ATOM 0 H TYR A 83 -13.909 -16.117 -9.218 1.00 0.00 H new ATOM 0 HA TYR A 83 -11.213 -15.094 -9.564 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.555 -16.506 -11.322 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -11.190 -17.612 -10.120 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -11.947 -15.947 -13.350 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -13.137 -18.955 -10.577 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -13.512 -16.855 -15.010 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -14.699 -19.870 -12.238 1.00 0.00 H new ATOM 0 HH TYR A 83 -15.536 -19.704 -14.275 1.00 0.00 H new ATOM 1105 N VAL A 84 -12.010 -13.892 -11.711 1.00 0.00 N ATOM 1106 CA VAL A 84 -12.587 -12.941 -12.652 1.00 0.00 C ATOM 1107 C VAL A 84 -11.915 -13.040 -14.016 1.00 0.00 C ATOM 1108 O VAL A 84 -11.040 -12.242 -14.349 1.00 0.00 O ATOM 1109 CB VAL A 84 -12.465 -11.495 -12.135 1.00 0.00 C ATOM 1110 CG1 VAL A 84 -11.022 -11.178 -11.772 1.00 0.00 C ATOM 1111 CG2 VAL A 84 -12.991 -10.513 -13.172 1.00 0.00 C ATOM 0 H VAL A 84 -10.991 -13.885 -11.677 1.00 0.00 H new ATOM 0 HA VAL A 84 -13.642 -13.195 -12.751 1.00 0.00 H new ATOM 0 HB VAL A 84 -13.071 -11.397 -11.234 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -10.955 -10.152 -11.409 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -10.684 -11.862 -10.993 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.391 -11.293 -12.654 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -12.897 -9.496 -12.791 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -12.413 -10.610 -14.091 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -14.040 -10.728 -13.378 1.00 0.00 H new ATOM 1121 N ALA A 85 -12.331 -14.026 -14.805 1.00 0.00 N ATOM 1122 CA ALA A 85 -11.772 -14.228 -16.135 1.00 0.00 C ATOM 1123 C ALA A 85 -12.327 -13.210 -17.125 1.00 0.00 C ATOM 1124 O ALA A 85 -12.949 -13.575 -18.123 1.00 0.00 O ATOM 1125 CB ALA A 85 -12.054 -15.644 -16.617 1.00 0.00 C ATOM 0 H ALA A 85 -13.054 -14.697 -14.545 1.00 0.00 H new ATOM 0 HA ALA A 85 -10.693 -14.085 -16.074 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -11.631 -15.781 -17.612 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.603 -16.359 -15.929 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.131 -15.808 -16.655 1.00 0.00 H new ATOM 1131 N ALA A 86 -12.099 -11.932 -16.842 1.00 0.00 N ATOM 1132 CA ALA A 86 -12.576 -10.861 -17.709 1.00 0.00 C ATOM 1133 C ALA A 86 -11.418 -10.190 -18.440 1.00 0.00 C ATOM 1134 O ALA A 86 -11.582 -9.683 -19.550 1.00 0.00 O ATOM 1135 CB ALA A 86 -13.357 -9.836 -16.900 1.00 0.00 C ATOM 0 H ALA A 86 -11.587 -11.613 -16.019 1.00 0.00 H new ATOM 0 HA ALA A 86 -13.238 -11.299 -18.456 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -13.707 -9.042 -17.560 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -14.212 -10.320 -16.429 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.712 -9.411 -16.131 1.00 0.00 H new ATOM 1141 N ASP A 87 -10.248 -10.189 -17.810 1.00 0.00 N ATOM 1142 CA ASP A 87 -9.062 -9.580 -18.401 1.00 0.00 C ATOM 1143 C ASP A 87 -9.263 -8.082 -18.602 1.00 0.00 C ATOM 1144 O ASP A 87 -10.382 -7.579 -18.512 1.00 0.00 O ATOM 1145 CB ASP A 87 -8.733 -10.247 -19.738 1.00 0.00 C ATOM 1146 CG ASP A 87 -7.278 -10.074 -20.128 1.00 0.00 C ATOM 1147 OD1 ASP A 87 -6.401 -10.370 -19.291 1.00 0.00 O ATOM 1148 OD2 ASP A 87 -7.018 -9.641 -21.271 1.00 0.00 O ATOM 0 H ASP A 87 -10.096 -10.603 -16.890 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.228 -9.727 -17.715 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.966 -11.310 -19.678 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.368 -9.825 -20.517 1.00 0.00 H new ATOM 1152 N ALA A 88 -8.171 -7.374 -18.873 1.00 0.00 N ATOM 1153 CA ALA A 88 -8.228 -5.934 -19.087 1.00 0.00 C ATOM 1154 C ALA A 88 -6.883 -5.397 -19.568 1.00 0.00 C ATOM 1155 O ALA A 88 -5.929 -6.153 -19.741 1.00 0.00 O ATOM 1156 CB ALA A 88 -8.655 -5.226 -17.810 1.00 0.00 C ATOM 0 H ALA A 88 -7.236 -7.775 -18.949 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.968 -5.736 -19.863 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.693 -4.151 -17.985 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.641 -5.580 -17.510 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.937 -5.439 -17.018 1.00 0.00 H new ATOM 1162 N ALA A 89 -6.817 -4.086 -19.782 1.00 0.00 N ATOM 1163 CA ALA A 89 -5.590 -3.448 -20.241 1.00 0.00 C ATOM 1164 C ALA A 89 -4.479 -3.588 -19.206 1.00 0.00 C ATOM 1165 O ALA A 89 -3.297 -3.601 -19.548 1.00 0.00 O ATOM 1166 CB ALA A 89 -5.843 -1.981 -20.554 1.00 0.00 C ATOM 0 H ALA A 89 -7.599 -3.446 -19.645 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.266 -3.951 -21.152 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.918 -1.517 -20.896 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.599 -1.901 -21.335 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.194 -1.473 -19.656 1.00 0.00 H new ATOM 1172 N ALA A 90 -4.866 -3.689 -17.938 1.00 0.00 N ATOM 1173 CA ALA A 90 -3.902 -3.827 -16.854 1.00 0.00 C ATOM 1174 C ALA A 90 -3.083 -5.104 -17.007 1.00 0.00 C ATOM 1175 O ALA A 90 -1.883 -5.119 -16.737 1.00 0.00 O ATOM 1176 CB ALA A 90 -4.615 -3.813 -15.510 1.00 0.00 C ATOM 0 H ALA A 90 -5.841 -3.678 -17.637 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.217 -2.980 -16.899 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.883 -3.917 -14.709 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.151 -2.871 -15.392 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.322 -4.641 -15.465 1.00 0.00 H new ATOM 1182 N ALA A 91 -3.740 -6.175 -17.441 1.00 0.00 N ATOM 1183 CA ALA A 91 -3.072 -7.456 -17.632 1.00 0.00 C ATOM 1184 C ALA A 91 -2.049 -7.380 -18.759 1.00 0.00 C ATOM 1185 O ALA A 91 -0.873 -7.690 -18.565 1.00 0.00 O ATOM 1186 CB ALA A 91 -4.094 -8.547 -17.916 1.00 0.00 C ATOM 0 H ALA A 91 -4.735 -6.180 -17.667 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.541 -7.701 -16.712 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.581 -9.498 -18.057 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.784 -8.627 -17.076 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.651 -8.298 -18.820 1.00 0.00 H new ATOM 1192 N SER A 92 -2.504 -6.967 -19.938 1.00 0.00 N ATOM 1193 CA SER A 92 -1.628 -6.854 -21.098 1.00 0.00 C ATOM 1194 C SER A 92 -0.905 -5.510 -21.105 1.00 0.00 C ATOM 1195 O SER A 92 -1.493 -4.475 -21.420 1.00 0.00 O ATOM 1196 CB SER A 92 -2.433 -7.018 -22.389 1.00 0.00 C ATOM 1197 OG SER A 92 -2.140 -8.253 -23.019 1.00 0.00 O ATOM 0 H SER A 92 -3.474 -6.705 -20.115 1.00 0.00 H new ATOM 0 HA SER A 92 -0.883 -7.648 -21.038 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.499 -6.964 -22.166 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.207 -6.197 -23.069 1.00 0.00 H new ATOM 0 HG SER A 92 -2.668 -8.335 -23.840 1.00 0.00 H new ATOM 1202 N THR A 93 0.377 -5.533 -20.754 1.00 0.00 N ATOM 1203 CA THR A 93 1.182 -4.319 -20.717 1.00 0.00 C ATOM 1204 C THR A 93 1.130 -3.584 -22.051 1.00 0.00 C ATOM 1205 O THR A 93 0.909 -4.194 -23.099 1.00 0.00 O ATOM 1206 CB THR A 93 2.651 -4.629 -20.372 1.00 0.00 C ATOM 1207 OG1 THR A 93 2.747 -5.914 -19.746 1.00 0.00 O ATOM 1208 CG2 THR A 93 3.227 -3.565 -19.450 1.00 0.00 C ATOM 0 H THR A 93 0.880 -6.380 -20.491 1.00 0.00 H new ATOM 0 HA THR A 93 0.760 -3.684 -19.938 1.00 0.00 H new ATOM 0 HB THR A 93 3.225 -4.633 -21.298 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.684 -6.104 -19.531 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.265 -3.806 -19.221 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.180 -2.593 -19.942 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.649 -3.533 -18.526 1.00 0.00 H new ATOM 1216 N TYR A 94 1.333 -2.273 -22.008 1.00 0.00 N ATOM 1217 CA TYR A 94 1.308 -1.454 -23.214 1.00 0.00 C ATOM 1218 C TYR A 94 2.655 -0.773 -23.440 1.00 0.00 C ATOM 1219 O TYR A 94 3.441 -0.603 -22.509 1.00 0.00 O ATOM 1220 CB TYR A 94 0.202 -0.402 -23.118 1.00 0.00 C ATOM 1221 CG TYR A 94 0.272 0.439 -21.862 1.00 0.00 C ATOM 1222 CD1 TYR A 94 -0.270 -0.016 -20.667 1.00 0.00 C ATOM 1223 CD2 TYR A 94 0.883 1.686 -21.873 1.00 0.00 C ATOM 1224 CE1 TYR A 94 -0.208 0.749 -19.518 1.00 0.00 C ATOM 1225 CE2 TYR A 94 0.951 2.458 -20.728 1.00 0.00 C ATOM 1226 CZ TYR A 94 0.404 1.985 -19.554 1.00 0.00 C ATOM 1227 OH TYR A 94 0.470 2.748 -18.411 1.00 0.00 O ATOM 0 H TYR A 94 1.517 -1.753 -21.150 1.00 0.00 H new ATOM 0 HA TYR A 94 1.106 -2.108 -24.062 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.259 0.253 -23.987 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.766 -0.901 -23.158 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.748 -0.984 -20.635 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.312 2.059 -22.791 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.636 0.382 -18.597 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.430 3.426 -20.753 1.00 0.00 H new ATOM 0 HH TYR A 94 0.933 3.589 -18.606 1.00 0.00 H new ATOM 1236 N THR A 95 2.912 -0.386 -24.685 1.00 0.00 N ATOM 1237 CA THR A 95 4.163 0.275 -25.035 1.00 0.00 C ATOM 1238 C THR A 95 3.920 1.718 -25.463 1.00 0.00 C ATOM 1239 O THR A 95 2.938 2.019 -26.139 1.00 0.00 O ATOM 1240 CB THR A 95 4.893 -0.468 -26.170 1.00 0.00 C ATOM 1241 OG1 THR A 95 4.054 -1.502 -26.697 1.00 0.00 O ATOM 1242 CG2 THR A 95 6.197 -1.070 -25.670 1.00 0.00 C ATOM 0 H THR A 95 2.271 -0.519 -25.467 1.00 0.00 H new ATOM 0 HA THR A 95 4.788 0.263 -24.142 1.00 0.00 H new ATOM 0 HB THR A 95 5.121 0.250 -26.958 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.524 -1.969 -27.419 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.695 -1.590 -26.488 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.844 -0.277 -25.296 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.987 -1.776 -24.866 1.00 0.00 H new ATOM 1250 N GLY A 96 4.824 2.609 -25.065 1.00 0.00 N ATOM 1251 CA GLY A 96 4.690 4.011 -25.416 1.00 0.00 C ATOM 1252 C GLY A 96 5.400 4.354 -26.711 1.00 0.00 C ATOM 1253 O GLY A 96 5.398 3.566 -27.657 1.00 0.00 O ATOM 0 H GLY A 96 5.647 2.384 -24.506 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.633 4.260 -25.508 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.093 4.624 -24.610 1.00 0.00 H new ATOM 1257 N PHE A 97 6.011 5.534 -26.753 1.00 0.00 N ATOM 1258 CA PHE A 97 6.727 5.981 -27.942 1.00 0.00 C ATOM 1259 C PHE A 97 8.045 6.650 -27.563 1.00 0.00 C ATOM 1260 O PHE A 97 8.572 6.377 -26.485 1.00 0.00 O ATOM 1261 CB PHE A 97 5.863 6.953 -28.749 1.00 0.00 C ATOM 1262 CG PHE A 97 5.489 6.436 -30.108 1.00 0.00 C ATOM 1263 CD1 PHE A 97 6.468 6.055 -31.012 1.00 0.00 C ATOM 1264 CD2 PHE A 97 4.159 6.330 -30.483 1.00 0.00 C ATOM 1265 CE1 PHE A 97 6.127 5.578 -32.264 1.00 0.00 C ATOM 1266 CE2 PHE A 97 3.813 5.854 -31.733 1.00 0.00 C ATOM 1267 CZ PHE A 97 4.798 5.479 -32.626 1.00 0.00 C ATOM 0 H PHE A 97 6.024 6.197 -25.978 1.00 0.00 H new ATOM 0 HA PHE A 97 6.946 5.106 -28.554 1.00 0.00 H new ATOM 0 HB2 PHE A 97 4.954 7.169 -28.189 1.00 0.00 H new ATOM 0 HB3 PHE A 97 6.399 7.895 -28.862 1.00 0.00 H new ATOM 0 HD1 PHE A 97 7.509 6.132 -30.735 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.384 6.623 -29.790 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.900 5.283 -32.959 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.773 5.775 -32.012 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.529 5.109 -33.605 1.00 0.00 H new TER 1276 PHE A 97 ATOM 1277 N SER B 601 -0.551 24.093 -8.728 1.00 0.00 N ATOM 1278 CA SER B 601 0.120 24.521 -9.950 1.00 0.00 C ATOM 1279 C SER B 601 1.187 25.568 -9.646 1.00 0.00 C ATOM 1280 O SER B 601 1.180 26.661 -10.213 1.00 0.00 O ATOM 1281 CB SER B 601 -0.897 25.087 -10.943 1.00 0.00 C ATOM 1282 OG SER B 601 -1.565 26.215 -10.403 1.00 0.00 O ATOM 0 HA SER B 601 0.605 23.651 -10.393 1.00 0.00 H new ATOM 0 HB2 SER B 601 -0.391 25.368 -11.866 1.00 0.00 H new ATOM 0 HB3 SER B 601 -1.625 24.318 -11.200 1.00 0.00 H new ATOM 0 HG SER B 601 -0.911 26.916 -10.199 1.00 0.00 H new ATOM 1287 N MET B 602 2.104 25.226 -8.747 1.00 0.00 N ATOM 1288 CA MET B 602 3.179 26.136 -8.368 1.00 0.00 C ATOM 1289 C MET B 602 4.395 25.362 -7.870 1.00 0.00 C ATOM 1290 O MET B 602 4.694 25.358 -6.675 1.00 0.00 O ATOM 1291 CB MET B 602 2.698 27.105 -7.286 1.00 0.00 C ATOM 1292 CG MET B 602 2.148 28.409 -7.840 1.00 0.00 C ATOM 1293 SD MET B 602 0.471 28.753 -7.273 1.00 0.00 S ATOM 1294 CE MET B 602 0.723 28.838 -5.502 1.00 0.00 C ATOM 0 H MET B 602 2.124 24.326 -8.268 1.00 0.00 H new ATOM 0 HA MET B 602 3.469 26.705 -9.252 1.00 0.00 H new ATOM 0 HB2 MET B 602 1.926 26.618 -6.691 1.00 0.00 H new ATOM 0 HB3 MET B 602 3.527 27.326 -6.613 1.00 0.00 H new ATOM 0 HG2 MET B 602 2.802 29.229 -7.545 1.00 0.00 H new ATOM 0 HG3 MET B 602 2.158 28.369 -8.929 1.00 0.00 H new ATOM 0 HE1 MET B 602 -0.086 29.409 -5.046 1.00 0.00 H new ATOM 0 HE2 MET B 602 0.734 27.830 -5.087 1.00 0.00 H new ATOM 0 HE3 MET B 602 1.675 29.326 -5.293 1.00 0.00 H new ATOM 1302 N SER B 603 5.094 24.708 -8.792 1.00 0.00 N ATOM 1303 CA SER B 603 6.276 23.927 -8.446 1.00 0.00 C ATOM 1304 C SER B 603 7.525 24.515 -9.094 1.00 0.00 C ATOM 1305 O SER B 603 8.639 24.317 -8.611 1.00 0.00 O ATOM 1306 CB SER B 603 6.098 22.472 -8.882 1.00 0.00 C ATOM 1307 OG SER B 603 6.036 22.367 -10.293 1.00 0.00 O ATOM 0 H SER B 603 4.862 24.703 -9.785 1.00 0.00 H new ATOM 0 HA SER B 603 6.399 23.962 -7.364 1.00 0.00 H new ATOM 0 HB2 SER B 603 6.927 21.872 -8.506 1.00 0.00 H new ATOM 0 HB3 SER B 603 5.186 22.067 -8.444 1.00 0.00 H new ATOM 0 HG SER B 603 5.924 21.427 -10.546 1.00 0.00 H new ATOM 1312 N GLN B 604 7.329 25.239 -10.192 1.00 0.00 N ATOM 1313 CA GLN B 604 8.441 25.855 -10.908 1.00 0.00 C ATOM 1314 C GLN B 604 8.720 27.256 -10.375 1.00 0.00 C ATOM 1315 O GLN B 604 9.482 28.017 -10.973 1.00 0.00 O ATOM 1316 CB GLN B 604 8.137 25.918 -12.406 1.00 0.00 C ATOM 1317 CG GLN B 604 7.002 26.864 -12.758 1.00 0.00 C ATOM 1318 CD GLN B 604 7.391 27.874 -13.819 1.00 0.00 C ATOM 1319 OE1 GLN B 604 8.258 27.612 -14.653 1.00 0.00 O ATOM 1320 NE2 GLN B 604 6.752 29.039 -13.793 1.00 0.00 N ATOM 0 H GLN B 604 6.413 25.413 -10.605 1.00 0.00 H new ATOM 0 HA GLN B 604 9.328 25.242 -10.750 1.00 0.00 H new ATOM 0 HB2 GLN B 604 9.036 26.229 -12.938 1.00 0.00 H new ATOM 0 HB3 GLN B 604 7.888 24.918 -12.760 1.00 0.00 H new ATOM 0 HG2 GLN B 604 6.148 26.285 -13.109 1.00 0.00 H new ATOM 0 HG3 GLN B 604 6.682 27.392 -11.859 1.00 0.00 H new ATOM 0 HE21 GLN B 604 6.040 29.214 -13.084 1.00 0.00 H new ATOM 0 HE22 GLN B 604 6.974 29.758 -14.482 1.00 0.00 H new ATOM 1327 N ILE B 605 8.098 27.591 -9.250 1.00 0.00 N ATOM 1328 CA ILE B 605 8.282 28.901 -8.637 1.00 0.00 C ATOM 1329 C ILE B 605 9.600 28.971 -7.873 1.00 0.00 C ATOM 1330 O ILE B 605 10.527 29.672 -8.279 1.00 0.00 O ATOM 1331 CB ILE B 605 7.126 29.240 -7.676 1.00 0.00 C ATOM 1332 CG1 ILE B 605 5.779 28.982 -8.353 1.00 0.00 C ATOM 1333 CG2 ILE B 605 7.227 30.687 -7.217 1.00 0.00 C ATOM 1334 CD1 ILE B 605 5.599 29.741 -9.649 1.00 0.00 C ATOM 0 H ILE B 605 7.462 26.974 -8.744 1.00 0.00 H new ATOM 0 HA ILE B 605 8.296 29.629 -9.448 1.00 0.00 H new ATOM 0 HB ILE B 605 7.200 28.596 -6.800 1.00 0.00 H new ATOM 0 HG12 ILE B 605 5.679 27.915 -8.550 1.00 0.00 H new ATOM 0 HG13 ILE B 605 4.978 29.256 -7.666 1.00 0.00 H new ATOM 0 HG21 ILE B 605 6.404 30.912 -6.539 1.00 0.00 H new ATOM 0 HG22 ILE B 605 8.175 30.840 -6.701 1.00 0.00 H new ATOM 0 HG23 ILE B 605 7.175 31.348 -8.082 1.00 0.00 H new ATOM 0 HD11 ILE B 605 4.622 29.510 -10.073 1.00 0.00 H new ATOM 0 HD12 ILE B 605 5.667 30.812 -9.456 1.00 0.00 H new ATOM 0 HD13 ILE B 605 6.378 29.449 -10.353 1.00 0.00 H new ATOM 1345 N MET B 606 9.676 28.240 -6.767 1.00 0.00 N ATOM 1346 CA MET B 606 10.883 28.217 -5.948 1.00 0.00 C ATOM 1347 C MET B 606 10.889 27.003 -5.023 1.00 0.00 C ATOM 1348 O MET B 606 11.120 27.129 -3.820 1.00 0.00 O ATOM 1349 CB MET B 606 10.989 29.501 -5.124 1.00 0.00 C ATOM 1350 CG MET B 606 9.767 29.776 -4.265 1.00 0.00 C ATOM 1351 SD MET B 606 9.672 31.492 -3.720 1.00 0.00 S ATOM 1352 CE MET B 606 11.307 31.719 -3.026 1.00 0.00 C ATOM 0 H MET B 606 8.917 27.656 -6.417 1.00 0.00 H new ATOM 0 HA MET B 606 11.743 28.149 -6.614 1.00 0.00 H new ATOM 0 HB2 MET B 606 11.867 29.439 -4.482 1.00 0.00 H new ATOM 0 HB3 MET B 606 11.146 30.343 -5.798 1.00 0.00 H new ATOM 0 HG2 MET B 606 8.868 29.528 -4.829 1.00 0.00 H new ATOM 0 HG3 MET B 606 9.786 29.123 -3.393 1.00 0.00 H new ATOM 0 HE1 MET B 606 11.331 32.641 -2.445 1.00 0.00 H new ATOM 0 HE2 MET B 606 11.548 30.876 -2.378 1.00 0.00 H new ATOM 0 HE3 MET B 606 12.039 31.778 -3.831 1.00 0.00 H new ATOM 1360 N TYR B 607 10.636 25.830 -5.592 1.00 0.00 N ATOM 1361 CA TYR B 607 10.609 24.595 -4.818 1.00 0.00 C ATOM 1362 C TYR B 607 11.603 23.581 -5.376 1.00 0.00 C ATOM 1363 O TYR B 607 11.216 22.526 -5.875 1.00 0.00 O ATOM 1364 CB TYR B 607 9.201 23.999 -4.818 1.00 0.00 C ATOM 1365 CG TYR B 607 8.137 24.955 -4.328 1.00 0.00 C ATOM 1366 CD1 TYR B 607 7.622 25.939 -5.164 1.00 0.00 C ATOM 1367 CD2 TYR B 607 7.649 24.877 -3.030 1.00 0.00 C ATOM 1368 CE1 TYR B 607 6.651 26.815 -4.720 1.00 0.00 C ATOM 1369 CE2 TYR B 607 6.677 25.749 -2.579 1.00 0.00 C ATOM 1370 CZ TYR B 607 6.181 26.716 -3.428 1.00 0.00 C ATOM 1371 OH TYR B 607 5.215 27.588 -2.981 1.00 0.00 O ATOM 0 H TYR B 607 10.447 25.708 -6.587 1.00 0.00 H new ATOM 0 HA TYR B 607 10.896 24.832 -3.793 1.00 0.00 H new ATOM 0 HB2 TYR B 607 8.951 23.679 -5.830 1.00 0.00 H new ATOM 0 HB3 TYR B 607 9.193 23.108 -4.191 1.00 0.00 H new ATOM 0 HD1 TYR B 607 7.987 26.020 -6.177 1.00 0.00 H new ATOM 0 HD2 TYR B 607 8.036 24.122 -2.362 1.00 0.00 H new ATOM 0 HE1 TYR B 607 6.262 27.574 -5.382 1.00 0.00 H new ATOM 0 HE2 TYR B 607 6.308 25.674 -1.567 1.00 0.00 H new ATOM 0 HH TYR B 607 4.994 27.382 -2.049 1.00 0.00 H new ATOM 1380 N ASN B 608 12.888 23.911 -5.286 1.00 0.00 N ATOM 1381 CA ASN B 608 13.939 23.031 -5.782 1.00 0.00 C ATOM 1382 C ASN B 608 14.287 21.964 -4.748 1.00 0.00 C ATOM 1383 O ASN B 608 14.109 20.770 -4.988 1.00 0.00 O ATOM 1384 CB ASN B 608 15.187 23.841 -6.135 1.00 0.00 C ATOM 1385 CG ASN B 608 15.502 23.802 -7.618 1.00 0.00 C ATOM 1386 OD1 ASN B 608 14.599 23.768 -8.454 1.00 0.00 O ATOM 1387 ND2 ASN B 608 16.787 23.806 -7.951 1.00 0.00 N ATOM 0 H ASN B 608 13.226 24.781 -4.874 1.00 0.00 H new ATOM 0 HA ASN B 608 13.570 22.536 -6.680 1.00 0.00 H new ATOM 0 HB2 ASN B 608 15.045 24.876 -5.824 1.00 0.00 H new ATOM 0 HB3 ASN B 608 16.038 23.454 -5.575 1.00 0.00 H new ATOM 0 HD21 ASN B 608 17.059 23.780 -8.934 1.00 0.00 H new ATOM 0 HD22 ASN B 608 17.502 23.835 -7.224 1.00 0.00 H new ATOM 1393 N TYR B 609 14.784 22.403 -3.597 1.00 0.00 N ATOM 1394 CA TYR B 609 15.159 21.487 -2.527 1.00 0.00 C ATOM 1395 C TYR B 609 14.362 21.775 -1.257 1.00 0.00 C ATOM 1396 O TYR B 609 14.733 22.618 -0.439 1.00 0.00 O ATOM 1397 CB TYR B 609 16.658 21.595 -2.236 1.00 0.00 C ATOM 1398 CG TYR B 609 17.497 20.611 -3.020 1.00 0.00 C ATOM 1399 CD1 TYR B 609 17.863 20.873 -4.334 1.00 0.00 C ATOM 1400 CD2 TYR B 609 17.924 19.420 -2.447 1.00 0.00 C ATOM 1401 CE1 TYR B 609 18.631 19.979 -5.055 1.00 0.00 C ATOM 1402 CE2 TYR B 609 18.693 18.519 -3.159 1.00 0.00 C ATOM 1403 CZ TYR B 609 19.043 18.803 -4.462 1.00 0.00 C ATOM 1404 OH TYR B 609 19.807 17.908 -5.176 1.00 0.00 O ATOM 0 H TYR B 609 14.937 23.388 -3.381 1.00 0.00 H new ATOM 0 HA TYR B 609 14.931 20.473 -2.856 1.00 0.00 H new ATOM 0 HB2 TYR B 609 16.992 22.607 -2.463 1.00 0.00 H new ATOM 0 HB3 TYR B 609 16.826 21.436 -1.171 1.00 0.00 H new ATOM 0 HD1 TYR B 609 17.541 21.792 -4.801 1.00 0.00 H new ATOM 0 HD2 TYR B 609 17.650 19.194 -1.427 1.00 0.00 H new ATOM 0 HE1 TYR B 609 18.907 20.199 -6.076 1.00 0.00 H new ATOM 0 HE2 TYR B 609 19.018 17.598 -2.698 1.00 0.00 H new ATOM 0 HH TYR B 609 20.014 17.133 -4.613 1.00 0.00 H new ATOM 1413 N PRO B 610 13.241 21.060 -1.090 1.00 0.00 N ATOM 1414 CA PRO B 610 12.367 21.219 0.077 1.00 0.00 C ATOM 1415 C PRO B 610 13.009 20.697 1.357 1.00 0.00 C ATOM 1416 O PRO B 610 12.742 19.573 1.783 1.00 0.00 O ATOM 1417 CB PRO B 610 11.137 20.384 -0.284 1.00 0.00 C ATOM 1418 CG PRO B 610 11.640 19.366 -1.250 1.00 0.00 C ATOM 1419 CD PRO B 610 12.738 20.039 -2.025 1.00 0.00 C ATOM 0 HA PRO B 610 12.143 22.267 0.279 1.00 0.00 H new ATOM 0 HB2 PRO B 610 10.706 19.913 0.599 1.00 0.00 H new ATOM 0 HB3 PRO B 610 10.357 21.001 -0.730 1.00 0.00 H new ATOM 0 HG2 PRO B 610 12.014 18.485 -0.729 1.00 0.00 H new ATOM 0 HG3 PRO B 610 10.843 19.030 -1.914 1.00 0.00 H new ATOM 0 HD2 PRO B 610 13.520 19.334 -2.309 1.00 0.00 H new ATOM 0 HD3 PRO B 610 12.364 20.487 -2.945 1.00 0.00 H new ATOM 1424 N ALA B 611 13.856 21.519 1.968 1.00 0.00 N ATOM 1425 CA ALA B 611 14.534 21.140 3.200 1.00 0.00 C ATOM 1426 C ALA B 611 13.598 21.255 4.399 1.00 0.00 C ATOM 1427 O ALA B 611 13.509 20.341 5.219 1.00 0.00 O ATOM 1428 CB ALA B 611 15.771 22.002 3.409 1.00 0.00 C ATOM 0 H ALA B 611 14.089 22.452 1.629 1.00 0.00 H new ATOM 0 HA ALA B 611 14.842 20.098 3.111 1.00 0.00 H new ATOM 0 HB1 ALA B 611 16.268 21.708 4.334 1.00 0.00 H new ATOM 0 HB2 ALA B 611 16.455 21.867 2.571 1.00 0.00 H new ATOM 0 HB3 ALA B 611 15.478 23.050 3.472 1.00 0.00 H new ATOM 1434 N MET B 612 12.903 22.384 4.495 1.00 0.00 N ATOM 1435 CA MET B 612 11.973 22.617 5.594 1.00 0.00 C ATOM 1436 C MET B 612 10.666 21.864 5.369 1.00 0.00 C ATOM 1437 O MET B 612 10.162 21.191 6.269 1.00 0.00 O ATOM 1438 CB MET B 612 11.694 24.113 5.745 1.00 0.00 C ATOM 1439 CG MET B 612 12.726 24.842 6.591 1.00 0.00 C ATOM 1440 SD MET B 612 11.985 25.760 7.955 1.00 0.00 S ATOM 1441 CE MET B 612 13.133 27.125 8.107 1.00 0.00 C ATOM 0 H MET B 612 12.966 23.151 3.826 1.00 0.00 H new ATOM 0 HA MET B 612 12.432 22.246 6.510 1.00 0.00 H new ATOM 0 HB2 MET B 612 11.659 24.569 4.756 1.00 0.00 H new ATOM 0 HB3 MET B 612 10.709 24.247 6.193 1.00 0.00 H new ATOM 0 HG2 MET B 612 13.439 24.120 6.989 1.00 0.00 H new ATOM 0 HG3 MET B 612 13.288 25.529 5.959 1.00 0.00 H new ATOM 0 HE1 MET B 612 12.810 27.784 8.912 1.00 0.00 H new ATOM 0 HE2 MET B 612 14.128 26.740 8.330 1.00 0.00 H new ATOM 0 HE3 MET B 612 13.161 27.683 7.171 1.00 0.00 H new ATOM 1449 N LEU B 613 10.121 21.981 4.163 1.00 0.00 N ATOM 1450 CA LEU B 613 8.871 21.312 3.820 1.00 0.00 C ATOM 1451 C LEU B 613 8.960 19.815 4.102 1.00 0.00 C ATOM 1452 O LEU B 613 9.625 19.075 3.379 1.00 0.00 O ATOM 1453 CB LEU B 613 8.533 21.545 2.346 1.00 0.00 C ATOM 1454 CG LEU B 613 7.098 21.981 2.049 1.00 0.00 C ATOM 1455 CD1 LEU B 613 7.087 23.290 1.274 1.00 0.00 C ATOM 1456 CD2 LEU B 613 6.360 20.897 1.276 1.00 0.00 C ATOM 0 H LEU B 613 10.525 22.533 3.406 1.00 0.00 H new ATOM 0 HA LEU B 613 8.080 21.734 4.439 1.00 0.00 H new ATOM 0 HB2 LEU B 613 9.211 22.303 1.954 1.00 0.00 H new ATOM 0 HB3 LEU B 613 8.733 20.624 1.798 1.00 0.00 H new ATOM 0 HG LEU B 613 6.584 22.139 2.997 1.00 0.00 H new ATOM 0 HD11 LEU B 613 6.057 23.584 1.072 1.00 0.00 H new ATOM 0 HD12 LEU B 613 7.577 24.065 1.863 1.00 0.00 H new ATOM 0 HD13 LEU B 613 7.619 23.159 0.332 1.00 0.00 H new ATOM 0 HD21 LEU B 613 5.340 21.225 1.073 1.00 0.00 H new ATOM 0 HD22 LEU B 613 6.874 20.708 0.334 1.00 0.00 H new ATOM 0 HD23 LEU B 613 6.336 19.981 1.867 1.00 0.00 H new ATOM 1467 N GLY B 614 8.282 19.377 5.159 1.00 0.00 N ATOM 1468 CA GLY B 614 8.296 17.970 5.517 1.00 0.00 C ATOM 1469 C GLY B 614 8.319 17.753 7.017 1.00 0.00 C ATOM 1470 O GLY B 614 7.513 18.329 7.747 1.00 0.00 O ATOM 0 H GLY B 614 7.724 19.970 5.773 1.00 0.00 H new ATOM 0 HA2 GLY B 614 7.417 17.483 5.096 1.00 0.00 H new ATOM 0 HA3 GLY B 614 9.169 17.494 5.071 1.00 0.00 H new ATOM 1474 N HIS B 615 9.247 16.920 7.479 1.00 0.00 N ATOM 1475 CA HIS B 615 9.371 16.629 8.902 1.00 0.00 C ATOM 1476 C HIS B 615 8.182 15.810 9.395 1.00 0.00 C ATOM 1477 O HIS B 615 8.295 14.605 9.617 1.00 0.00 O ATOM 1478 CB HIS B 615 9.479 17.926 9.702 1.00 0.00 C ATOM 1479 CG HIS B 615 10.801 18.102 10.384 1.00 0.00 C ATOM 1480 ND1 HIS B 615 11.998 17.724 9.814 1.00 0.00 N ATOM 1481 CD2 HIS B 615 11.110 18.620 11.596 1.00 0.00 C ATOM 1482 CE1 HIS B 615 12.986 18.000 10.646 1.00 0.00 C ATOM 1483 NE2 HIS B 615 12.474 18.545 11.735 1.00 0.00 N ATOM 0 H HIS B 615 9.923 16.435 6.889 1.00 0.00 H new ATOM 0 HA HIS B 615 10.279 16.044 9.050 1.00 0.00 H new ATOM 0 HB2 HIS B 615 9.309 18.770 9.034 1.00 0.00 H new ATOM 0 HB3 HIS B 615 8.687 17.948 10.451 1.00 0.00 H new ATOM 0 HD2 HIS B 615 10.413 19.018 12.319 1.00 0.00 H new ATOM 0 HE1 HIS B 615 14.034 17.812 10.467 1.00 0.00 H new ATOM 0 HE2 HIS B 615 13.005 18.859 12.547 1.00 0.00 H new ATOM 1490 N ALA B 616 7.043 16.473 9.565 1.00 0.00 N ATOM 1491 CA ALA B 616 5.833 15.806 10.030 1.00 0.00 C ATOM 1492 C ALA B 616 5.970 15.374 11.486 1.00 0.00 C ATOM 1493 O ALA B 616 5.432 16.013 12.388 1.00 0.00 O ATOM 1494 CB ALA B 616 5.517 14.608 9.148 1.00 0.00 C ATOM 0 H ALA B 616 6.933 17.471 9.388 1.00 0.00 H new ATOM 0 HA ALA B 616 5.009 16.516 9.965 1.00 0.00 H new ATOM 0 HB1 ALA B 616 4.611 14.120 9.508 1.00 0.00 H new ATOM 0 HB2 ALA B 616 5.366 14.942 8.121 1.00 0.00 H new ATOM 0 HB3 ALA B 616 6.347 13.902 9.182 1.00 0.00 H new ATOM 1500 N GLY B 617 6.695 14.280 11.708 1.00 0.00 N ATOM 1501 CA GLY B 617 6.889 13.780 13.055 1.00 0.00 C ATOM 1502 C GLY B 617 5.990 12.600 13.371 1.00 0.00 C ATOM 1503 O GLY B 617 6.166 11.513 12.819 1.00 0.00 O ATOM 0 H GLY B 617 7.151 13.732 10.978 1.00 0.00 H new ATOM 0 HA2 GLY B 617 7.930 13.484 13.183 1.00 0.00 H new ATOM 0 HA3 GLY B 617 6.696 14.581 13.768 1.00 0.00 H new ATOM 1507 N ASP B 618 5.028 12.813 14.261 1.00 0.00 N ATOM 1508 CA ASP B 618 4.099 11.758 14.650 1.00 0.00 C ATOM 1509 C ASP B 618 3.137 11.434 13.511 1.00 0.00 C ATOM 1510 O ASP B 618 2.633 10.315 13.410 1.00 0.00 O ATOM 1511 CB ASP B 618 3.314 12.173 15.895 1.00 0.00 C ATOM 1512 CG ASP B 618 3.363 11.123 16.987 1.00 0.00 C ATOM 1513 OD1 ASP B 618 4.481 10.727 17.381 1.00 0.00 O ATOM 1514 OD2 ASP B 618 2.284 10.697 17.449 1.00 0.00 O ATOM 0 H ASP B 618 4.871 13.707 14.727 1.00 0.00 H new ATOM 0 HA ASP B 618 4.679 10.863 14.878 1.00 0.00 H new ATOM 0 HB2 ASP B 618 3.716 13.111 16.278 1.00 0.00 H new ATOM 0 HB3 ASP B 618 2.276 12.360 15.621 1.00 0.00 H new ATOM 1518 N MET B 619 2.887 12.420 12.657 1.00 0.00 N ATOM 1519 CA MET B 619 1.985 12.240 11.525 1.00 0.00 C ATOM 1520 C MET B 619 2.542 11.214 10.544 1.00 0.00 C ATOM 1521 O MET B 619 1.802 10.392 10.003 1.00 0.00 O ATOM 1522 CB MET B 619 1.756 13.573 10.810 1.00 0.00 C ATOM 1523 CG MET B 619 0.376 13.698 10.183 1.00 0.00 C ATOM 1524 SD MET B 619 -0.398 15.291 10.518 1.00 0.00 S ATOM 1525 CE MET B 619 -1.322 14.913 12.005 1.00 0.00 C ATOM 0 H MET B 619 3.296 13.352 12.727 1.00 0.00 H new ATOM 0 HA MET B 619 1.033 11.872 11.907 1.00 0.00 H new ATOM 0 HB2 MET B 619 1.898 14.386 11.522 1.00 0.00 H new ATOM 0 HB3 MET B 619 2.511 13.694 10.033 1.00 0.00 H new ATOM 0 HG2 MET B 619 0.457 13.557 9.105 1.00 0.00 H new ATOM 0 HG3 MET B 619 -0.264 12.901 10.561 1.00 0.00 H new ATOM 0 HE1 MET B 619 -1.857 15.803 12.337 1.00 0.00 H new ATOM 0 HE2 MET B 619 -2.037 14.117 11.797 1.00 0.00 H new ATOM 0 HE3 MET B 619 -0.636 14.589 12.787 1.00 0.00 H new ATOM 1533 N ALA B 620 3.851 11.266 10.319 1.00 0.00 N ATOM 1534 CA ALA B 620 4.507 10.340 9.405 1.00 0.00 C ATOM 1535 C ALA B 620 4.183 8.893 9.762 1.00 0.00 C ATOM 1536 O ALA B 620 4.126 8.026 8.891 1.00 0.00 O ATOM 1537 CB ALA B 620 6.012 10.564 9.416 1.00 0.00 C ATOM 0 H ALA B 620 4.478 11.940 10.758 1.00 0.00 H new ATOM 0 HA ALA B 620 4.130 10.532 8.401 1.00 0.00 H new ATOM 0 HB1 ALA B 620 6.489 9.865 8.729 1.00 0.00 H new ATOM 0 HB2 ALA B 620 6.230 11.585 9.104 1.00 0.00 H new ATOM 0 HB3 ALA B 620 6.397 10.402 10.423 1.00 0.00 H new ATOM 1543 N GLY B 621 3.972 8.640 11.050 1.00 0.00 N ATOM 1544 CA GLY B 621 3.657 7.296 11.501 1.00 0.00 C ATOM 1545 C GLY B 621 2.418 6.736 10.831 1.00 0.00 C ATOM 1546 O GLY B 621 2.397 5.576 10.420 1.00 0.00 O ATOM 0 H GLY B 621 4.013 9.341 11.789 1.00 0.00 H new ATOM 0 HA2 GLY B 621 4.504 6.640 11.299 1.00 0.00 H new ATOM 0 HA3 GLY B 621 3.511 7.303 12.581 1.00 0.00 H new ATOM 1550 N TYR B 622 1.382 7.561 10.722 1.00 0.00 N ATOM 1551 CA TYR B 622 0.132 7.140 10.100 1.00 0.00 C ATOM 1552 C TYR B 622 0.385 6.535 8.722 1.00 0.00 C ATOM 1553 O TYR B 622 -0.155 5.483 8.385 1.00 0.00 O ATOM 1554 CB TYR B 622 -0.827 8.325 9.982 1.00 0.00 C ATOM 1555 CG TYR B 622 -1.821 8.414 11.118 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -2.812 7.453 11.277 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -1.772 9.460 12.030 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -3.724 7.531 12.312 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -2.678 9.545 13.070 1.00 0.00 C ATOM 1560 CZ TYR B 622 -3.653 8.578 13.206 1.00 0.00 C ATOM 1561 OH TYR B 622 -4.558 8.660 14.239 1.00 0.00 O ATOM 0 H TYR B 622 1.383 8.525 11.056 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.321 6.377 10.733 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -0.248 9.248 9.944 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.370 8.250 9.040 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -2.870 6.631 10.579 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -1.012 10.221 11.925 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -4.488 6.776 12.420 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -2.623 10.364 13.772 1.00 0.00 H new ATOM 0 HH TYR B 622 -4.368 9.456 14.778 1.00 0.00 H new ATOM 1570 N ALA B 623 1.212 7.211 7.930 1.00 0.00 N ATOM 1571 CA ALA B 623 1.539 6.741 6.589 1.00 0.00 C ATOM 1572 C ALA B 623 2.318 5.431 6.643 1.00 0.00 C ATOM 1573 O ALA B 623 1.927 4.441 6.027 1.00 0.00 O ATOM 1574 CB ALA B 623 2.333 7.800 5.839 1.00 0.00 C ATOM 0 H ALA B 623 1.667 8.085 8.194 1.00 0.00 H new ATOM 0 HA ALA B 623 0.606 6.557 6.056 1.00 0.00 H new ATOM 0 HB1 ALA B 623 2.571 7.436 4.839 1.00 0.00 H new ATOM 0 HB2 ALA B 623 1.741 8.712 5.762 1.00 0.00 H new ATOM 0 HB3 ALA B 623 3.257 8.011 6.377 1.00 0.00 H new ATOM 1580 N GLY B 624 3.423 5.434 7.382 1.00 0.00 N ATOM 1581 CA GLY B 624 4.240 4.240 7.500 1.00 0.00 C ATOM 1582 C GLY B 624 3.445 3.039 7.971 1.00 0.00 C ATOM 1583 O GLY B 624 3.816 1.895 7.705 1.00 0.00 O ATOM 0 H GLY B 624 3.767 6.242 7.901 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.693 4.016 6.534 1.00 0.00 H new ATOM 0 HA3 GLY B 624 5.055 4.429 8.198 1.00 0.00 H new ATOM 1587 N THR B 625 2.348 3.296 8.677 1.00 0.00 N ATOM 1588 CA THR B 625 1.500 2.227 9.189 1.00 0.00 C ATOM 1589 C THR B 625 0.911 1.400 8.053 1.00 0.00 C ATOM 1590 O THR B 625 0.713 0.192 8.188 1.00 0.00 O ATOM 1591 CB THR B 625 0.353 2.785 10.052 1.00 0.00 C ATOM 1592 OG1 THR B 625 0.883 3.565 11.128 1.00 0.00 O ATOM 1593 CG2 THR B 625 -0.503 1.657 10.610 1.00 0.00 C ATOM 0 H THR B 625 2.026 4.236 8.907 1.00 0.00 H new ATOM 0 HA THR B 625 2.133 1.590 9.807 1.00 0.00 H new ATOM 0 HB THR B 625 -0.272 3.416 9.421 1.00 0.00 H new ATOM 0 HG1 THR B 625 1.422 4.299 10.766 1.00 0.00 H new ATOM 0 HG21 THR B 625 -1.306 2.076 11.216 1.00 0.00 H new ATOM 0 HG22 THR B 625 -0.930 1.083 9.787 1.00 0.00 H new ATOM 0 HG23 THR B 625 0.114 1.003 11.227 1.00 0.00 H new ATOM 1601 N LEU B 626 0.633 2.056 6.932 1.00 0.00 N ATOM 1602 CA LEU B 626 0.066 1.380 5.770 1.00 0.00 C ATOM 1603 C LEU B 626 1.041 0.348 5.211 1.00 0.00 C ATOM 1604 O LEU B 626 0.669 -0.796 4.957 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.292 2.400 4.687 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.587 3.184 4.904 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -2.766 2.235 5.049 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -1.467 4.081 6.127 1.00 0.00 C ATOM 0 H LEU B 626 0.791 3.055 6.803 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.840 0.863 6.087 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.529 3.111 4.600 1.00 0.00 H new ATOM 0 HB3 LEU B 626 -0.363 1.877 3.733 1.00 0.00 H new ATOM 0 HG LEU B 626 -1.760 3.814 4.032 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -3.679 2.810 5.203 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -2.863 1.635 4.144 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -2.602 1.579 5.904 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -2.397 4.632 6.267 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -1.271 3.470 7.008 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -0.647 4.785 5.983 1.00 0.00 H new ATOM 1619 N GLN B 627 2.290 0.763 5.024 1.00 0.00 N ATOM 1620 CA GLN B 627 3.317 -0.127 4.497 1.00 0.00 C ATOM 1621 C GLN B 627 3.542 -1.313 5.429 1.00 0.00 C ATOM 1622 O GLN B 627 3.664 -2.453 4.980 1.00 0.00 O ATOM 1623 CB GLN B 627 4.628 0.636 4.298 1.00 0.00 C ATOM 1624 CG GLN B 627 5.389 0.223 3.048 1.00 0.00 C ATOM 1625 CD GLN B 627 6.510 -0.754 3.343 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.103 -0.729 4.422 1.00 0.00 O ATOM 1627 NE2 GLN B 627 6.807 -1.623 2.384 1.00 0.00 N ATOM 0 H GLN B 627 2.614 1.708 5.229 1.00 0.00 H new ATOM 0 HA GLN B 627 2.974 -0.506 3.534 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.413 1.703 4.246 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.265 0.481 5.169 1.00 0.00 H new ATOM 0 HG2 GLN B 627 4.696 -0.229 2.338 1.00 0.00 H new ATOM 0 HG3 GLN B 627 5.802 1.111 2.569 1.00 0.00 H new ATOM 0 HE21 GLN B 627 6.290 -1.609 1.505 1.00 0.00 H new ATOM 0 HE22 GLN B 627 7.552 -2.305 2.527 1.00 0.00 H new ATOM 1634 N SER B 628 3.595 -1.036 6.728 1.00 0.00 N ATOM 1635 CA SER B 628 3.809 -2.080 7.723 1.00 0.00 C ATOM 1636 C SER B 628 2.691 -3.119 7.670 1.00 0.00 C ATOM 1637 O SER B 628 2.948 -4.323 7.645 1.00 0.00 O ATOM 1638 CB SER B 628 3.887 -1.470 9.124 1.00 0.00 C ATOM 1639 OG SER B 628 4.346 -2.420 10.069 1.00 0.00 O ATOM 0 H SER B 628 3.493 -0.098 7.116 1.00 0.00 H new ATOM 0 HA SER B 628 4.753 -2.575 7.497 1.00 0.00 H new ATOM 0 HB2 SER B 628 4.557 -0.610 9.113 1.00 0.00 H new ATOM 0 HB3 SER B 628 2.904 -1.104 9.420 1.00 0.00 H new ATOM 0 HG SER B 628 4.388 -2.005 10.956 1.00 0.00 H new ATOM 1644 N LEU B 629 1.451 -2.643 7.653 1.00 0.00 N ATOM 1645 CA LEU B 629 0.293 -3.528 7.603 1.00 0.00 C ATOM 1646 C LEU B 629 0.233 -4.271 6.272 1.00 0.00 C ATOM 1647 O LEU B 629 0.116 -5.495 6.237 1.00 0.00 O ATOM 1648 CB LEU B 629 -0.995 -2.730 7.812 1.00 0.00 C ATOM 1649 CG LEU B 629 -2.187 -3.510 8.366 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -3.322 -2.566 8.726 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -2.655 -4.553 7.362 1.00 0.00 C ATOM 0 H LEU B 629 1.222 -1.649 7.673 1.00 0.00 H new ATOM 0 HA LEU B 629 0.393 -4.260 8.404 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.781 -1.904 8.490 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -1.286 -2.292 6.857 1.00 0.00 H new ATOM 0 HG LEU B 629 -1.870 -4.025 9.273 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -4.162 -3.140 9.119 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -2.981 -1.858 9.482 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -3.639 -2.022 7.836 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.504 -5.099 7.773 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -2.954 -4.059 6.437 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -1.842 -5.249 7.155 1.00 0.00 H new ATOM 1662 N GLY B 630 0.316 -3.522 5.176 1.00 0.00 N ATOM 1663 CA GLY B 630 0.272 -4.127 3.859 1.00 0.00 C ATOM 1664 C GLY B 630 1.278 -5.250 3.702 1.00 0.00 C ATOM 1665 O GLY B 630 1.038 -6.209 2.969 1.00 0.00 O ATOM 0 H GLY B 630 0.413 -2.507 5.178 1.00 0.00 H new ATOM 0 HA2 GLY B 630 -0.730 -4.513 3.673 1.00 0.00 H new ATOM 0 HA3 GLY B 630 0.464 -3.363 3.105 1.00 0.00 H new ATOM 1669 N ALA B 631 2.408 -5.131 4.391 1.00 0.00 N ATOM 1670 CA ALA B 631 3.453 -6.144 4.325 1.00 0.00 C ATOM 1671 C ALA B 631 2.920 -7.511 4.739 1.00 0.00 C ATOM 1672 O ALA B 631 3.340 -8.537 4.208 1.00 0.00 O ATOM 1673 CB ALA B 631 4.630 -5.746 5.204 1.00 0.00 C ATOM 0 H ALA B 631 2.623 -4.343 5.001 1.00 0.00 H new ATOM 0 HA ALA B 631 3.792 -6.214 3.291 1.00 0.00 H new ATOM 0 HB1 ALA B 631 5.403 -6.512 5.145 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.035 -4.794 4.861 1.00 0.00 H new ATOM 0 HB3 ALA B 631 4.296 -5.647 6.237 1.00 0.00 H new ATOM 1679 N GLU B 632 1.994 -7.516 5.693 1.00 0.00 N ATOM 1680 CA GLU B 632 1.405 -8.758 6.178 1.00 0.00 C ATOM 1681 C GLU B 632 0.797 -9.558 5.030 1.00 0.00 C ATOM 1682 O GLU B 632 0.881 -10.786 5.003 1.00 0.00 O ATOM 1683 CB GLU B 632 0.334 -8.463 7.232 1.00 0.00 C ATOM 1684 CG GLU B 632 0.847 -7.653 8.411 1.00 0.00 C ATOM 1685 CD GLU B 632 1.198 -8.519 9.606 1.00 0.00 C ATOM 1686 OE1 GLU B 632 1.947 -9.502 9.427 1.00 0.00 O ATOM 1687 OE2 GLU B 632 0.724 -8.213 10.719 1.00 0.00 O ATOM 0 H GLU B 632 1.636 -6.674 6.145 1.00 0.00 H new ATOM 0 HA GLU B 632 2.198 -9.353 6.632 1.00 0.00 H new ATOM 0 HB2 GLU B 632 -0.488 -7.923 6.761 1.00 0.00 H new ATOM 0 HB3 GLU B 632 -0.072 -9.406 7.599 1.00 0.00 H new ATOM 0 HG2 GLU B 632 1.728 -7.090 8.104 1.00 0.00 H new ATOM 0 HG3 GLU B 632 0.090 -6.926 8.704 1.00 0.00 H new ATOM 1692 N ILE B 633 0.186 -8.852 4.084 1.00 0.00 N ATOM 1693 CA ILE B 633 -0.436 -9.497 2.934 1.00 0.00 C ATOM 1694 C ILE B 633 0.618 -10.006 1.955 1.00 0.00 C ATOM 1695 O ILE B 633 0.431 -11.036 1.308 1.00 0.00 O ATOM 1696 CB ILE B 633 -1.385 -8.535 2.195 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -2.478 -8.036 3.142 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.997 -9.221 0.984 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -3.155 -6.768 2.668 1.00 0.00 C ATOM 0 H ILE B 633 0.109 -7.835 4.091 1.00 0.00 H new ATOM 0 HA ILE B 633 -1.012 -10.340 3.316 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.811 -7.676 1.848 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -3.229 -8.817 3.261 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -2.043 -7.860 4.126 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.665 -8.528 0.472 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -1.205 -9.531 0.303 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.560 -10.096 1.308 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.918 -6.472 3.388 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -2.415 -5.973 2.576 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.620 -6.944 1.698 1.00 0.00 H new ATOM 1710 N ALA B 634 1.723 -9.278 1.852 1.00 0.00 N ATOM 1711 CA ALA B 634 2.808 -9.658 0.955 1.00 0.00 C ATOM 1712 C ALA B 634 3.447 -10.971 1.393 1.00 0.00 C ATOM 1713 O ALA B 634 3.560 -11.911 0.605 1.00 0.00 O ATOM 1714 CB ALA B 634 3.853 -8.554 0.893 1.00 0.00 C ATOM 0 H ALA B 634 1.892 -8.421 2.379 1.00 0.00 H new ATOM 0 HA ALA B 634 2.390 -9.802 -0.041 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.657 -8.851 0.220 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.392 -7.637 0.525 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.259 -8.381 1.890 1.00 0.00 H new ATOM 1720 N VAL B 635 3.866 -11.029 2.652 1.00 0.00 N ATOM 1721 CA VAL B 635 4.494 -12.228 3.195 1.00 0.00 C ATOM 1722 C VAL B 635 3.584 -13.442 3.043 1.00 0.00 C ATOM 1723 O VAL B 635 4.043 -14.537 2.721 1.00 0.00 O ATOM 1724 CB VAL B 635 4.851 -12.051 4.682 1.00 0.00 C ATOM 1725 CG1 VAL B 635 3.626 -11.628 5.480 1.00 0.00 C ATOM 1726 CG2 VAL B 635 5.447 -13.333 5.244 1.00 0.00 C ATOM 0 H VAL B 635 3.782 -10.259 3.316 1.00 0.00 H new ATOM 0 HA VAL B 635 5.410 -12.390 2.626 1.00 0.00 H new ATOM 0 HB VAL B 635 5.599 -11.263 4.766 1.00 0.00 H new ATOM 0 HG11 VAL B 635 3.898 -11.508 6.529 1.00 0.00 H new ATOM 0 HG12 VAL B 635 3.248 -10.682 5.093 1.00 0.00 H new ATOM 0 HG13 VAL B 635 2.853 -12.391 5.391 1.00 0.00 H new ATOM 0 HG21 VAL B 635 5.693 -13.189 6.296 1.00 0.00 H new ATOM 0 HG22 VAL B 635 4.724 -14.143 5.148 1.00 0.00 H new ATOM 0 HG23 VAL B 635 6.351 -13.587 4.691 1.00 0.00 H new ATOM 1736 N GLU B 636 2.291 -13.238 3.278 1.00 0.00 N ATOM 1737 CA GLU B 636 1.317 -14.318 3.168 1.00 0.00 C ATOM 1738 C GLU B 636 1.245 -14.842 1.736 1.00 0.00 C ATOM 1739 O GLU B 636 1.084 -16.041 1.513 1.00 0.00 O ATOM 1740 CB GLU B 636 -0.065 -13.834 3.615 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.221 -13.751 5.124 1.00 0.00 C ATOM 1742 CD GLU B 636 -0.256 -15.117 5.783 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -1.323 -15.763 5.753 1.00 0.00 O ATOM 1744 OE2 GLU B 636 0.785 -15.538 6.329 1.00 0.00 O ATOM 0 H GLU B 636 1.895 -12.337 3.545 1.00 0.00 H new ATOM 0 HA GLU B 636 1.639 -15.131 3.819 1.00 0.00 H new ATOM 0 HB2 GLU B 636 -0.253 -12.851 3.184 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.823 -14.508 3.216 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.604 -13.172 5.540 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -1.139 -13.213 5.362 1.00 0.00 H new ATOM 1749 N GLN B 637 1.366 -13.935 0.773 1.00 0.00 N ATOM 1750 CA GLN B 637 1.313 -14.305 -0.636 1.00 0.00 C ATOM 1751 C GLN B 637 2.598 -15.008 -1.061 1.00 0.00 C ATOM 1752 O GLN B 637 2.582 -15.876 -1.933 1.00 0.00 O ATOM 1753 CB GLN B 637 1.084 -13.066 -1.503 1.00 0.00 C ATOM 1754 CG GLN B 637 1.908 -13.057 -2.781 1.00 0.00 C ATOM 1755 CD GLN B 637 3.322 -12.559 -2.559 1.00 0.00 C ATOM 1756 OE1 GLN B 637 4.300 -13.317 -3.041 1.00 0.00 O flip ATOM 1757 NE2 GLN B 637 3.534 -11.503 -1.961 1.00 0.00 N flip ATOM 0 H GLN B 637 1.501 -12.938 0.943 1.00 0.00 H new ATOM 0 HA GLN B 637 0.480 -14.994 -0.774 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.027 -13.004 -1.762 1.00 0.00 H new ATOM 0 HB3 GLN B 637 1.322 -12.176 -0.921 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.942 -14.065 -3.194 1.00 0.00 H new ATOM 0 HG3 GLN B 637 1.416 -12.426 -3.521 1.00 0.00 H new ATOM 0 HE21 GLN B 637 2.752 -10.952 -1.607 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.491 -11.180 -1.820 1.00 0.00 H new ATOM 1764 N ALA B 638 3.709 -14.626 -0.441 1.00 0.00 N ATOM 1765 CA ALA B 638 5.003 -15.220 -0.754 1.00 0.00 C ATOM 1766 C ALA B 638 5.115 -16.627 -0.177 1.00 0.00 C ATOM 1767 O ALA B 638 5.882 -17.452 -0.672 1.00 0.00 O ATOM 1768 CB ALA B 638 6.128 -14.341 -0.231 1.00 0.00 C ATOM 0 H ALA B 638 3.739 -13.907 0.282 1.00 0.00 H new ATOM 0 HA ALA B 638 5.089 -15.293 -1.838 1.00 0.00 H new ATOM 0 HB1 ALA B 638 7.088 -14.797 -0.472 1.00 0.00 H new ATOM 0 HB2 ALA B 638 6.067 -13.357 -0.696 1.00 0.00 H new ATOM 0 HB3 ALA B 638 6.037 -14.238 0.850 1.00 0.00 H new ATOM 1774 N ALA B 639 4.345 -16.893 0.874 1.00 0.00 N ATOM 1775 CA ALA B 639 4.358 -18.201 1.518 1.00 0.00 C ATOM 1776 C ALA B 639 3.469 -19.189 0.771 1.00 0.00 C ATOM 1777 O ALA B 639 3.667 -20.402 0.850 1.00 0.00 O ATOM 1778 CB ALA B 639 3.915 -18.079 2.968 1.00 0.00 C ATOM 0 H ALA B 639 3.705 -16.221 1.297 1.00 0.00 H new ATOM 0 HA ALA B 639 5.379 -18.582 1.493 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.929 -19.063 3.437 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.594 -17.413 3.501 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.904 -17.673 3.007 1.00 0.00 H new ATOM 1784 N LEU B 640 2.486 -18.663 0.047 1.00 0.00 N ATOM 1785 CA LEU B 640 1.565 -19.499 -0.713 1.00 0.00 C ATOM 1786 C LEU B 640 1.856 -19.411 -2.207 1.00 0.00 C ATOM 1787 O LEU B 640 0.938 -19.372 -3.027 1.00 0.00 O ATOM 1788 CB LEU B 640 0.119 -19.082 -0.438 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.253 -18.882 1.032 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -1.590 -18.168 1.152 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.293 -20.218 1.758 1.00 0.00 C ATOM 0 H LEU B 640 2.307 -17.662 -0.029 1.00 0.00 H new ATOM 0 HA LEU B 640 1.705 -20.532 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.078 -18.152 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -0.543 -19.838 -0.860 1.00 0.00 H new ATOM 0 HG LEU B 640 0.511 -18.260 1.499 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -1.838 -18.035 2.205 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.527 -17.193 0.668 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.365 -18.763 0.669 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -0.559 -20.057 2.803 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.035 -20.864 1.290 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.687 -20.692 1.702 1.00 0.00 H new ATOM 1802 N GLN B 641 3.139 -19.382 -2.555 1.00 0.00 N ATOM 1803 CA GLN B 641 3.549 -19.299 -3.951 1.00 0.00 C ATOM 1804 C GLN B 641 3.172 -20.569 -4.706 1.00 0.00 C ATOM 1805 O GLN B 641 2.653 -20.511 -5.820 1.00 0.00 O ATOM 1806 CB GLN B 641 5.058 -19.063 -4.048 1.00 0.00 C ATOM 1807 CG GLN B 641 5.494 -17.702 -3.534 1.00 0.00 C ATOM 1808 CD GLN B 641 5.442 -16.629 -4.603 1.00 0.00 C ATOM 1809 OE1 GLN B 641 6.344 -16.518 -5.433 1.00 0.00 O ATOM 1810 NE2 GLN B 641 4.381 -15.831 -4.590 1.00 0.00 N ATOM 0 H GLN B 641 3.911 -19.415 -1.889 1.00 0.00 H new ATOM 0 HA GLN B 641 3.026 -18.458 -4.407 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.576 -19.838 -3.483 1.00 0.00 H new ATOM 0 HB3 GLN B 641 5.367 -19.166 -5.088 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.854 -17.411 -2.701 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.510 -17.773 -3.146 1.00 0.00 H new ATOM 0 HE21 GLN B 641 3.656 -15.958 -3.884 1.00 0.00 H new ATOM 0 HE22 GLN B 641 4.291 -15.091 -5.286 1.00 0.00 H new ATOM 1817 N SER B 642 3.438 -21.718 -4.092 1.00 0.00 N ATOM 1818 CA SER B 642 3.129 -23.003 -4.707 1.00 0.00 C ATOM 1819 C SER B 642 1.654 -23.083 -5.090 1.00 0.00 C ATOM 1820 O SER B 642 1.279 -23.813 -6.007 1.00 0.00 O ATOM 1821 CB SER B 642 3.483 -24.147 -3.754 1.00 0.00 C ATOM 1822 OG SER B 642 4.882 -24.376 -3.729 1.00 0.00 O ATOM 0 H SER B 642 3.867 -21.785 -3.169 1.00 0.00 H new ATOM 0 HA SER B 642 3.727 -23.096 -5.614 1.00 0.00 H new ATOM 0 HB2 SER B 642 3.132 -23.910 -2.750 1.00 0.00 H new ATOM 0 HB3 SER B 642 2.968 -25.056 -4.065 1.00 0.00 H new ATOM 0 HG SER B 642 5.082 -25.110 -3.112 1.00 0.00 H new ATOM 1827 N ALA B 643 0.824 -22.326 -4.381 1.00 0.00 N ATOM 1828 CA ALA B 643 -0.609 -22.308 -4.647 1.00 0.00 C ATOM 1829 C ALA B 643 -0.939 -21.389 -5.817 1.00 0.00 C ATOM 1830 O ALA B 643 -1.869 -21.650 -6.581 1.00 0.00 O ATOM 1831 CB ALA B 643 -1.372 -21.877 -3.403 1.00 0.00 C ATOM 0 H ALA B 643 1.119 -21.717 -3.618 1.00 0.00 H new ATOM 0 HA ALA B 643 -0.916 -23.319 -4.916 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -2.441 -21.868 -3.617 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.170 -22.576 -2.592 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.053 -20.877 -3.108 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.172 -20.314 -5.954 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.384 -19.355 -7.031 1.00 0.00 C ATOM 1839 C TRP B 644 -0.415 -20.055 -8.385 1.00 0.00 C ATOM 1840 O TRP B 644 0.375 -20.964 -8.641 1.00 0.00 O ATOM 1841 CB TRP B 644 0.715 -18.290 -7.019 1.00 0.00 C ATOM 1842 CG TRP B 644 0.371 -17.072 -7.820 1.00 0.00 C ATOM 1843 CD1 TRP B 644 0.569 -16.888 -9.159 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.230 -15.867 -7.333 1.00 0.00 C ATOM 1845 NE1 TRP B 644 0.128 -15.641 -9.533 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.368 -14.996 -8.431 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.667 -15.441 -6.076 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -0.922 -13.725 -8.308 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.218 -14.179 -5.955 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.342 -13.334 -7.065 1.00 0.00 C ATOM 0 H TRP B 644 0.603 -20.084 -5.332 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.348 -18.873 -6.869 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.913 -17.994 -5.989 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.636 -18.724 -7.409 1.00 0.00 H new ATOM 0 HD1 TRP B 644 1.008 -17.616 -9.826 1.00 0.00 H new ATOM 0 HE1 TRP B 644 0.164 -15.258 -10.478 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.576 -16.086 -5.215 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.017 -13.071 -9.162 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.559 -13.839 -4.988 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.778 -12.354 -6.938 1.00 0.00 H new ATOM 1860 N GLN B 645 -1.331 -19.628 -9.247 1.00 0.00 N ATOM 1861 CA GLN B 645 -1.464 -20.216 -10.575 1.00 0.00 C ATOM 1862 C GLN B 645 -0.543 -19.521 -11.573 1.00 0.00 C ATOM 1863 O GLN B 645 0.313 -20.154 -12.189 1.00 0.00 O ATOM 1864 CB GLN B 645 -2.914 -20.128 -11.053 1.00 0.00 C ATOM 1865 CG GLN B 645 -3.917 -20.686 -10.058 1.00 0.00 C ATOM 1866 CD GLN B 645 -3.912 -22.202 -10.011 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -4.494 -22.863 -10.871 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -3.251 -22.761 -9.004 1.00 0.00 N ATOM 0 H GLN B 645 -1.992 -18.877 -9.050 1.00 0.00 H new ATOM 0 HA GLN B 645 -1.174 -21.265 -10.511 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -3.158 -19.085 -11.256 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -3.011 -20.668 -11.995 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -3.694 -20.295 -9.065 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -4.916 -20.338 -10.321 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -2.783 -22.174 -8.313 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -3.212 -23.777 -8.921 1.00 0.00 H new ATOM 1875 N GLY B 646 -0.728 -18.214 -11.730 1.00 0.00 N ATOM 1876 CA GLY B 646 0.093 -17.454 -12.654 1.00 0.00 C ATOM 1877 C GLY B 646 -0.537 -17.339 -14.028 1.00 0.00 C ATOM 1878 O GLY B 646 -0.210 -16.433 -14.795 1.00 0.00 O ATOM 0 H GLY B 646 -1.432 -17.668 -11.234 1.00 0.00 H new ATOM 0 HA2 GLY B 646 0.261 -16.456 -12.250 1.00 0.00 H new ATOM 0 HA3 GLY B 646 1.069 -17.930 -12.744 1.00 0.00 H new ATOM 1882 N ASP B 647 -1.441 -18.260 -14.342 1.00 0.00 N ATOM 1883 CA ASP B 647 -2.118 -18.259 -15.633 1.00 0.00 C ATOM 1884 C ASP B 647 -3.499 -17.619 -15.523 1.00 0.00 C ATOM 1885 O ASP B 647 -4.403 -17.927 -16.301 1.00 0.00 O ATOM 1886 CB ASP B 647 -2.246 -19.687 -16.168 1.00 0.00 C ATOM 1887 CG ASP B 647 -0.903 -20.295 -16.521 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -0.066 -19.581 -17.113 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -0.689 -21.484 -16.205 1.00 0.00 O ATOM 0 H ASP B 647 -1.722 -19.018 -13.719 1.00 0.00 H new ATOM 0 HA ASP B 647 -1.519 -17.671 -16.328 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -2.738 -20.309 -15.421 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -2.884 -19.685 -17.052 1.00 0.00 H new ATOM 1893 N THR B 648 -3.656 -16.727 -14.550 1.00 0.00 N ATOM 1894 CA THR B 648 -4.926 -16.046 -14.335 1.00 0.00 C ATOM 1895 C THR B 648 -4.811 -14.558 -14.649 1.00 0.00 C ATOM 1896 O THR B 648 -5.780 -13.925 -15.068 1.00 0.00 O ATOM 1897 CB THR B 648 -5.418 -16.216 -12.886 1.00 0.00 C ATOM 1898 OG1 THR B 648 -4.343 -15.973 -11.972 1.00 0.00 O ATOM 1899 CG2 THR B 648 -5.972 -17.616 -12.665 1.00 0.00 C ATOM 0 H THR B 648 -2.919 -16.459 -13.898 1.00 0.00 H new ATOM 0 HA THR B 648 -5.648 -16.504 -15.011 1.00 0.00 H new ATOM 0 HB THR B 648 -6.215 -15.494 -12.708 1.00 0.00 H new ATOM 0 HG1 THR B 648 -4.186 -16.775 -11.431 1.00 0.00 H new ATOM 0 HG21 THR B 648 -6.314 -17.714 -11.635 1.00 0.00 H new ATOM 0 HG22 THR B 648 -6.808 -17.787 -13.343 1.00 0.00 H new ATOM 0 HG23 THR B 648 -5.191 -18.351 -12.859 1.00 0.00 H new ATOM 1907 N GLY B 649 -3.619 -14.004 -14.443 1.00 0.00 N ATOM 1908 CA GLY B 649 -3.401 -12.595 -14.710 1.00 0.00 C ATOM 1909 C GLY B 649 -2.084 -12.096 -14.148 1.00 0.00 C ATOM 1910 O GLY B 649 -1.099 -11.968 -14.875 1.00 0.00 O ATOM 0 H GLY B 649 -2.802 -14.506 -14.096 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -3.421 -12.425 -15.786 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.219 -12.016 -14.280 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.067 -11.812 -12.849 1.00 0.00 N ATOM 1915 CA ILE B 650 -0.862 -11.324 -12.190 1.00 0.00 C ATOM 1916 C ILE B 650 0.032 -12.479 -11.754 1.00 0.00 C ATOM 1917 O ILE B 650 -0.453 -13.532 -11.338 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.203 -10.460 -10.962 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -2.075 -9.271 -11.373 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.071 -9.981 -10.282 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -2.455 -8.373 -10.217 1.00 0.00 C ATOM 0 H ILE B 650 -2.874 -11.912 -12.233 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.330 -10.711 -12.918 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.764 -11.068 -10.252 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.544 -8.682 -12.121 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.983 -9.643 -11.847 1.00 0.00 H new ATOM 0 HG21 ILE B 650 -0.186 -9.371 -9.416 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.657 -10.842 -9.959 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.656 -9.386 -10.983 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -3.072 -7.552 -10.582 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -3.014 -8.947 -9.479 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -1.552 -7.971 -9.756 1.00 0.00 H new ATOM 1932 N THR B 651 1.343 -12.275 -11.849 1.00 0.00 N ATOM 1933 CA THR B 651 2.305 -13.299 -11.464 1.00 0.00 C ATOM 1934 C THR B 651 2.882 -13.018 -10.080 1.00 0.00 C ATOM 1935 O THR B 651 2.608 -11.977 -9.482 1.00 0.00 O ATOM 1936 CB THR B 651 3.460 -13.395 -12.479 1.00 0.00 C ATOM 1937 OG1 THR B 651 3.117 -12.692 -13.678 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.771 -14.848 -12.807 1.00 0.00 C ATOM 0 H THR B 651 1.762 -11.409 -12.189 1.00 0.00 H new ATOM 0 HA THR B 651 1.768 -14.247 -11.446 1.00 0.00 H new ATOM 0 HB THR B 651 4.346 -12.942 -12.034 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.857 -12.756 -14.318 1.00 0.00 H new ATOM 0 HG21 THR B 651 4.590 -14.892 -13.525 1.00 0.00 H new ATOM 0 HG22 THR B 651 4.059 -15.373 -11.896 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.887 -15.322 -13.235 1.00 0.00 H new ATOM 1946 N TYR B 652 3.683 -13.951 -9.579 1.00 0.00 N ATOM 1947 CA TYR B 652 4.298 -13.805 -8.264 1.00 0.00 C ATOM 1948 C TYR B 652 5.283 -12.639 -8.251 1.00 0.00 C ATOM 1949 O TYR B 652 5.371 -11.900 -7.271 1.00 0.00 O ATOM 1950 CB TYR B 652 5.013 -15.096 -7.865 1.00 0.00 C ATOM 1951 CG TYR B 652 6.149 -15.470 -8.792 1.00 0.00 C ATOM 1952 CD1 TYR B 652 5.923 -16.244 -9.923 1.00 0.00 C ATOM 1953 CD2 TYR B 652 7.447 -15.048 -8.535 1.00 0.00 C ATOM 1954 CE1 TYR B 652 6.957 -16.589 -10.770 1.00 0.00 C ATOM 1955 CE2 TYR B 652 8.488 -15.387 -9.378 1.00 0.00 C ATOM 1956 CZ TYR B 652 8.238 -16.158 -10.495 1.00 0.00 C ATOM 1957 OH TYR B 652 9.271 -16.498 -11.338 1.00 0.00 O ATOM 0 H TYR B 652 3.922 -14.817 -10.063 1.00 0.00 H new ATOM 0 HA TYR B 652 3.508 -13.599 -7.542 1.00 0.00 H new ATOM 0 HB2 TYR B 652 5.402 -14.988 -6.852 1.00 0.00 H new ATOM 0 HB3 TYR B 652 4.289 -15.911 -7.844 1.00 0.00 H new ATOM 0 HD1 TYR B 652 4.921 -16.582 -10.144 1.00 0.00 H new ATOM 0 HD2 TYR B 652 7.646 -14.445 -7.662 1.00 0.00 H new ATOM 0 HE1 TYR B 652 6.764 -17.194 -11.644 1.00 0.00 H new ATOM 0 HE2 TYR B 652 9.492 -15.050 -9.164 1.00 0.00 H new ATOM 0 HH TYR B 652 10.108 -16.114 -11.002 1.00 0.00 H new ATOM 1966 N GLN B 653 6.019 -12.483 -9.346 1.00 0.00 N ATOM 1967 CA GLN B 653 6.998 -11.408 -9.461 1.00 0.00 C ATOM 1968 C GLN B 653 6.307 -10.063 -9.662 1.00 0.00 C ATOM 1969 O GLN B 653 6.700 -9.058 -9.068 1.00 0.00 O ATOM 1970 CB GLN B 653 7.955 -11.682 -10.622 1.00 0.00 C ATOM 1971 CG GLN B 653 7.252 -11.875 -11.956 1.00 0.00 C ATOM 1972 CD GLN B 653 7.254 -10.619 -12.804 1.00 0.00 C ATOM 1973 OE1 GLN B 653 6.201 -10.053 -13.098 1.00 0.00 O ATOM 1974 NE2 GLN B 653 8.441 -10.173 -13.201 1.00 0.00 N ATOM 0 H GLN B 653 5.956 -13.087 -10.166 1.00 0.00 H new ATOM 0 HA GLN B 653 7.568 -11.369 -8.533 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.657 -10.852 -10.707 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.541 -12.573 -10.397 1.00 0.00 H new ATOM 0 HG2 GLN B 653 7.739 -12.681 -12.506 1.00 0.00 H new ATOM 0 HG3 GLN B 653 6.223 -12.187 -11.778 1.00 0.00 H new ATOM 0 HE21 GLN B 653 9.289 -10.673 -12.934 1.00 0.00 H new ATOM 0 HE22 GLN B 653 8.504 -9.330 -13.772 1.00 0.00 H new ATOM 1981 N ALA B 654 5.278 -10.051 -10.502 1.00 0.00 N ATOM 1982 CA ALA B 654 4.533 -8.829 -10.780 1.00 0.00 C ATOM 1983 C ALA B 654 3.738 -8.381 -9.558 1.00 0.00 C ATOM 1984 O ALA B 654 3.727 -7.201 -9.213 1.00 0.00 O ATOM 1985 CB ALA B 654 3.606 -9.037 -11.969 1.00 0.00 C ATOM 0 H ALA B 654 4.941 -10.874 -11.002 1.00 0.00 H new ATOM 0 HA ALA B 654 5.248 -8.043 -11.023 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.055 -8.117 -12.166 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.195 -9.303 -12.847 1.00 0.00 H new ATOM 0 HB3 ALA B 654 2.903 -9.840 -11.746 1.00 0.00 H new ATOM 1991 N TRP B 655 3.074 -9.331 -8.909 1.00 0.00 N ATOM 1992 CA TRP B 655 2.277 -9.033 -7.726 1.00 0.00 C ATOM 1993 C TRP B 655 3.139 -8.430 -6.624 1.00 0.00 C ATOM 1994 O TRP B 655 2.786 -7.408 -6.037 1.00 0.00 O ATOM 1995 CB TRP B 655 1.590 -10.301 -7.216 1.00 0.00 C ATOM 1996 CG TRP B 655 0.539 -10.032 -6.181 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.813 -10.007 -6.373 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.755 -9.749 -4.795 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.451 -9.726 -5.189 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.511 -9.564 -4.206 1.00 0.00 C ATOM 2001 CE3 TRP B 655 1.894 -9.637 -3.993 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.667 -9.271 -2.853 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.738 -9.345 -2.651 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.465 -9.166 -2.091 1.00 0.00 C ATOM 0 H TRP B 655 3.072 -10.314 -9.182 1.00 0.00 H new ATOM 0 HA TRP B 655 1.517 -8.303 -8.006 1.00 0.00 H new ATOM 0 HB2 TRP B 655 1.135 -10.823 -8.058 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.342 -10.969 -6.795 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.308 -10.182 -7.317 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.460 -9.650 -5.063 1.00 0.00 H new ATOM 0 HE3 TRP B 655 2.879 -9.776 -4.414 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.647 -9.132 -2.421 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.612 -9.253 -2.023 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.376 -8.941 -1.038 1.00 0.00 H new ATOM 2014 N GLN B 656 4.273 -9.068 -6.350 1.00 0.00 N ATOM 2015 CA GLN B 656 5.187 -8.592 -5.318 1.00 0.00 C ATOM 2016 C GLN B 656 5.684 -7.187 -5.636 1.00 0.00 C ATOM 2017 O GLN B 656 5.549 -6.271 -4.824 1.00 0.00 O ATOM 2018 CB GLN B 656 6.374 -9.547 -5.179 1.00 0.00 C ATOM 2019 CG GLN B 656 6.032 -10.845 -4.465 1.00 0.00 C ATOM 2020 CD GLN B 656 6.572 -10.892 -3.050 1.00 0.00 C ATOM 2021 OE1 GLN B 656 5.958 -10.366 -2.121 1.00 0.00 O ATOM 2022 NE2 GLN B 656 7.728 -11.524 -2.877 1.00 0.00 N ATOM 0 H GLN B 656 4.580 -9.915 -6.828 1.00 0.00 H new ATOM 0 HA GLN B 656 4.643 -8.559 -4.374 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.761 -9.779 -6.171 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.173 -9.043 -4.635 1.00 0.00 H new ATOM 0 HG2 GLN B 656 4.949 -10.968 -4.441 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.435 -11.684 -5.032 1.00 0.00 H new ATOM 0 HE21 GLN B 656 8.203 -11.946 -3.675 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.140 -11.587 -1.946 1.00 0.00 H new ATOM 2029 N ALA B 657 6.260 -7.022 -6.822 1.00 0.00 N ATOM 2030 CA ALA B 657 6.775 -5.727 -7.249 1.00 0.00 C ATOM 2031 C ALA B 657 5.682 -4.664 -7.220 1.00 0.00 C ATOM 2032 O ALA B 657 5.841 -3.614 -6.597 1.00 0.00 O ATOM 2033 CB ALA B 657 7.376 -5.831 -8.643 1.00 0.00 C ATOM 0 H ALA B 657 6.382 -7.770 -7.505 1.00 0.00 H new ATOM 0 HA ALA B 657 7.556 -5.427 -6.550 1.00 0.00 H new ATOM 0 HB1 ALA B 657 7.757 -4.856 -8.949 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.193 -6.553 -8.634 1.00 0.00 H new ATOM 0 HB3 ALA B 657 6.610 -6.158 -9.346 1.00 0.00 H new ATOM 2039 N GLN B 658 4.573 -4.943 -7.897 1.00 0.00 N ATOM 2040 CA GLN B 658 3.455 -4.009 -7.949 1.00 0.00 C ATOM 2041 C GLN B 658 2.978 -3.653 -6.545 1.00 0.00 C ATOM 2042 O GLN B 658 2.868 -2.478 -6.195 1.00 0.00 O ATOM 2043 CB GLN B 658 2.301 -4.608 -8.757 1.00 0.00 C ATOM 2044 CG GLN B 658 2.500 -4.514 -10.261 1.00 0.00 C ATOM 2045 CD GLN B 658 1.424 -5.248 -11.038 1.00 0.00 C ATOM 2046 OE1 GLN B 658 1.685 -6.507 -11.366 1.00 0.00 O flip ATOM 2047 NE2 GLN B 658 0.370 -4.688 -11.340 1.00 0.00 N flip ATOM 0 H GLN B 658 4.425 -5.808 -8.417 1.00 0.00 H new ATOM 0 HA GLN B 658 3.797 -3.097 -8.438 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.179 -5.655 -8.480 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.376 -4.097 -8.488 1.00 0.00 H new ATOM 0 HG2 GLN B 658 2.506 -3.465 -10.558 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.475 -4.925 -10.521 1.00 0.00 H new ATOM 0 HE21 GLN B 658 0.211 -3.718 -11.067 1.00 0.00 H new ATOM 0 HE22 GLN B 658 -0.345 -5.194 -11.863 1.00 0.00 H new ATOM 2054 N TRP B 659 2.693 -4.675 -5.745 1.00 0.00 N ATOM 2055 CA TRP B 659 2.227 -4.470 -4.379 1.00 0.00 C ATOM 2056 C TRP B 659 3.161 -3.534 -3.620 1.00 0.00 C ATOM 2057 O TRP B 659 2.734 -2.508 -3.094 1.00 0.00 O ATOM 2058 CB TRP B 659 2.120 -5.809 -3.648 1.00 0.00 C ATOM 2059 CG TRP B 659 1.651 -5.676 -2.231 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.430 -5.500 -1.122 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.295 -5.710 -1.770 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.640 -5.423 -0.001 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.328 -5.548 -0.371 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.941 -5.860 -2.403 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.830 -5.533 0.403 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -2.089 -5.845 -1.633 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -2.027 -5.682 -0.242 1.00 0.00 C ATOM 0 H TRP B 659 2.777 -5.654 -6.019 1.00 0.00 H new ATOM 0 HA TRP B 659 1.240 -4.010 -4.423 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.433 -6.458 -4.191 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.094 -6.298 -3.656 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.508 -5.432 -1.126 1.00 0.00 H new ATOM 0 HE1 TRP B 659 1.977 -5.294 0.953 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.999 -5.985 -3.474 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.784 -5.408 1.475 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -3.050 -5.961 -2.111 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.942 -5.674 0.331 1.00 0.00 H new ATOM 2077 N ASN B 660 4.439 -3.896 -3.567 1.00 0.00 N ATOM 2078 CA ASN B 660 5.434 -3.089 -2.871 1.00 0.00 C ATOM 2079 C ASN B 660 5.366 -1.634 -3.324 1.00 0.00 C ATOM 2080 O ASN B 660 5.172 -0.730 -2.512 1.00 0.00 O ATOM 2081 CB ASN B 660 6.837 -3.648 -3.118 1.00 0.00 C ATOM 2082 CG ASN B 660 7.812 -3.268 -2.019 1.00 0.00 C ATOM 2083 OD1 ASN B 660 7.440 -3.175 -0.849 1.00 0.00 O ATOM 2084 ND2 ASN B 660 9.066 -3.045 -2.392 1.00 0.00 N ATOM 0 H ASN B 660 4.810 -4.743 -3.998 1.00 0.00 H new ATOM 0 HA ASN B 660 5.218 -3.129 -1.803 1.00 0.00 H new ATOM 0 HB2 ASN B 660 6.784 -4.734 -3.194 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.209 -3.279 -4.074 1.00 0.00 H new ATOM 0 HD21 ASN B 660 9.766 -2.785 -1.697 1.00 0.00 H new ATOM 0 HD22 ASN B 660 9.330 -3.134 -3.373 1.00 0.00 H new ATOM 2090 N GLN B 661 5.530 -1.416 -4.625 1.00 0.00 N ATOM 2091 CA GLN B 661 5.487 -0.070 -5.185 1.00 0.00 C ATOM 2092 C GLN B 661 4.163 0.613 -4.860 1.00 0.00 C ATOM 2093 O GLN B 661 4.087 1.838 -4.789 1.00 0.00 O ATOM 2094 CB GLN B 661 5.692 -0.119 -6.700 1.00 0.00 C ATOM 2095 CG GLN B 661 7.074 -0.600 -7.113 1.00 0.00 C ATOM 2096 CD GLN B 661 7.976 0.533 -7.560 1.00 0.00 C ATOM 2097 OE1 GLN B 661 7.995 0.899 -8.736 1.00 0.00 O ATOM 2098 NE2 GLN B 661 8.729 1.097 -6.623 1.00 0.00 N ATOM 0 H GLN B 661 5.694 -2.153 -5.310 1.00 0.00 H new ATOM 0 HA GLN B 661 6.293 0.510 -4.735 1.00 0.00 H new ATOM 0 HB2 GLN B 661 4.942 -0.777 -7.138 1.00 0.00 H new ATOM 0 HB3 GLN B 661 5.524 0.876 -7.113 1.00 0.00 H new ATOM 0 HG2 GLN B 661 7.539 -1.121 -6.276 1.00 0.00 H new ATOM 0 HG3 GLN B 661 6.976 -1.323 -7.923 1.00 0.00 H new ATOM 0 HE21 GLN B 661 8.682 0.762 -5.661 1.00 0.00 H new ATOM 0 HE22 GLN B 661 9.355 1.865 -6.866 1.00 0.00 H new ATOM 2105 N ALA B 662 3.122 -0.189 -4.666 1.00 0.00 N ATOM 2106 CA ALA B 662 1.800 0.338 -4.347 1.00 0.00 C ATOM 2107 C ALA B 662 1.760 0.900 -2.930 1.00 0.00 C ATOM 2108 O ALA B 662 1.388 2.054 -2.719 1.00 0.00 O ATOM 2109 CB ALA B 662 0.744 -0.744 -4.518 1.00 0.00 C ATOM 0 H ALA B 662 3.168 -1.206 -4.724 1.00 0.00 H new ATOM 0 HA ALA B 662 1.585 1.152 -5.039 1.00 0.00 H new ATOM 0 HB1 ALA B 662 -0.237 -0.336 -4.276 1.00 0.00 H new ATOM 0 HB2 ALA B 662 0.747 -1.095 -5.550 1.00 0.00 H new ATOM 0 HB3 ALA B 662 0.965 -1.577 -3.850 1.00 0.00 H new ATOM 2115 N MET B 663 2.145 0.075 -1.961 1.00 0.00 N ATOM 2116 CA MET B 663 2.153 0.491 -0.563 1.00 0.00 C ATOM 2117 C MET B 663 3.057 1.703 -0.361 1.00 0.00 C ATOM 2118 O MET B 663 2.692 2.653 0.330 1.00 0.00 O ATOM 2119 CB MET B 663 2.618 -0.660 0.331 1.00 0.00 C ATOM 2120 CG MET B 663 1.859 -1.956 0.095 1.00 0.00 C ATOM 2121 SD MET B 663 0.079 -1.768 0.309 1.00 0.00 S ATOM 2122 CE MET B 663 0.014 -0.958 1.906 1.00 0.00 C ATOM 0 H MET B 663 2.455 -0.884 -2.118 1.00 0.00 H new ATOM 0 HA MET B 663 1.136 0.769 -0.287 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.681 -0.835 0.162 1.00 0.00 H new ATOM 0 HB3 MET B 663 2.505 -0.367 1.375 1.00 0.00 H new ATOM 0 HG2 MET B 663 2.064 -2.314 -0.914 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.225 -2.717 0.784 1.00 0.00 H new ATOM 0 HE1 MET B 663 -0.939 -1.177 2.387 1.00 0.00 H new ATOM 0 HE2 MET B 663 0.828 -1.322 2.532 1.00 0.00 H new ATOM 0 HE3 MET B 663 0.113 0.119 1.772 1.00 0.00 H new ATOM 2130 N GLU B 664 4.238 1.663 -0.971 1.00 0.00 N ATOM 2131 CA GLU B 664 5.194 2.759 -0.856 1.00 0.00 C ATOM 2132 C GLU B 664 4.678 4.007 -1.566 1.00 0.00 C ATOM 2133 O GLU B 664 4.959 5.132 -1.150 1.00 0.00 O ATOM 2134 CB GLU B 664 6.547 2.348 -1.442 1.00 0.00 C ATOM 2135 CG GLU B 664 7.534 3.497 -1.556 1.00 0.00 C ATOM 2136 CD GLU B 664 8.971 3.024 -1.659 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.427 2.309 -0.741 1.00 0.00 O ATOM 2138 OE2 GLU B 664 9.641 3.367 -2.655 1.00 0.00 O ATOM 0 H GLU B 664 4.555 0.885 -1.549 1.00 0.00 H new ATOM 0 HA GLU B 664 5.319 2.989 0.202 1.00 0.00 H new ATOM 0 HB2 GLU B 664 6.982 1.567 -0.818 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.389 1.916 -2.430 1.00 0.00 H new ATOM 0 HG2 GLU B 664 7.289 4.096 -2.433 1.00 0.00 H new ATOM 0 HG3 GLU B 664 7.431 4.147 -0.687 1.00 0.00 H new ATOM 2143 N ASP B 665 3.923 3.801 -2.639 1.00 0.00 N ATOM 2144 CA ASP B 665 3.367 4.909 -3.407 1.00 0.00 C ATOM 2145 C ASP B 665 2.343 5.681 -2.582 1.00 0.00 C ATOM 2146 O ASP B 665 2.442 6.900 -2.432 1.00 0.00 O ATOM 2147 CB ASP B 665 2.720 4.392 -4.692 1.00 0.00 C ATOM 2148 CG ASP B 665 1.985 5.481 -5.449 1.00 0.00 C ATOM 2149 OD1 ASP B 665 2.267 6.671 -5.198 1.00 0.00 O ATOM 2150 OD2 ASP B 665 1.127 5.143 -6.292 1.00 0.00 O ATOM 0 H ASP B 665 3.682 2.877 -2.997 1.00 0.00 H new ATOM 0 HA ASP B 665 4.182 5.585 -3.666 1.00 0.00 H new ATOM 0 HB2 ASP B 665 3.488 3.962 -5.335 1.00 0.00 H new ATOM 0 HB3 ASP B 665 2.023 3.590 -4.447 1.00 0.00 H new ATOM 2154 N LEU B 666 1.357 4.965 -2.051 1.00 0.00 N ATOM 2155 CA LEU B 666 0.313 5.584 -1.241 1.00 0.00 C ATOM 2156 C LEU B 666 0.882 6.112 0.071 1.00 0.00 C ATOM 2157 O LEU B 666 0.434 7.137 0.587 1.00 0.00 O ATOM 2158 CB LEU B 666 -0.803 4.577 -0.957 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.356 3.198 -0.469 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -0.585 3.062 1.027 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -1.090 2.101 -1.226 1.00 0.00 C ATOM 0 H LEU B 666 1.259 3.956 -2.167 1.00 0.00 H new ATOM 0 HA LEU B 666 -0.097 6.424 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU B 666 -1.470 5.006 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU B 666 -1.387 4.446 -1.868 1.00 0.00 H new ATOM 0 HG LEU B 666 0.711 3.093 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -0.261 2.075 1.356 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -0.013 3.826 1.554 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -1.645 3.188 1.246 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -0.760 1.127 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -2.163 2.203 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU B 666 -0.874 2.187 -2.291 1.00 0.00 H new ATOM 2172 N VAL B 667 1.873 5.408 0.608 1.00 0.00 N ATOM 2173 CA VAL B 667 2.507 5.806 1.858 1.00 0.00 C ATOM 2174 C VAL B 667 3.053 7.227 1.769 1.00 0.00 C ATOM 2175 O VAL B 667 2.834 8.045 2.663 1.00 0.00 O ATOM 2176 CB VAL B 667 3.653 4.851 2.237 1.00 0.00 C ATOM 2177 CG1 VAL B 667 4.694 5.573 3.079 1.00 0.00 C ATOM 2178 CG2 VAL B 667 3.111 3.635 2.973 1.00 0.00 C ATOM 0 H VAL B 667 2.255 4.557 0.195 1.00 0.00 H new ATOM 0 HA VAL B 667 1.738 5.762 2.630 1.00 0.00 H new ATOM 0 HB VAL B 667 4.135 4.509 1.321 1.00 0.00 H new ATOM 0 HG11 VAL B 667 5.496 4.882 3.337 1.00 0.00 H new ATOM 0 HG12 VAL B 667 5.104 6.409 2.513 1.00 0.00 H new ATOM 0 HG13 VAL B 667 4.229 5.946 3.991 1.00 0.00 H new ATOM 0 HG21 VAL B 667 3.935 2.970 3.233 1.00 0.00 H new ATOM 0 HG22 VAL B 667 2.603 3.957 3.882 1.00 0.00 H new ATOM 0 HG23 VAL B 667 2.407 3.106 2.332 1.00 0.00 H new ATOM 2188 N ARG B 668 3.762 7.515 0.683 1.00 0.00 N ATOM 2189 CA ARG B 668 4.340 8.838 0.476 1.00 0.00 C ATOM 2190 C ARG B 668 3.252 9.868 0.189 1.00 0.00 C ATOM 2191 O ARG B 668 3.385 11.040 0.539 1.00 0.00 O ATOM 2192 CB ARG B 668 5.344 8.804 -0.678 1.00 0.00 C ATOM 2193 CG ARG B 668 6.548 7.916 -0.414 1.00 0.00 C ATOM 2194 CD ARG B 668 7.553 7.984 -1.553 1.00 0.00 C ATOM 2195 NE ARG B 668 8.906 7.659 -1.110 1.00 0.00 N ATOM 2196 CZ ARG B 668 9.633 8.450 -0.329 1.00 0.00 C ATOM 2197 NH1 ARG B 668 9.140 9.605 0.094 1.00 0.00 N ATOM 2198 NH2 ARG B 668 10.857 8.085 0.032 1.00 0.00 N ATOM 0 H ARG B 668 3.950 6.850 -0.067 1.00 0.00 H new ATOM 0 HA ARG B 668 4.858 9.128 1.390 1.00 0.00 H new ATOM 0 HB2 ARG B 668 4.838 8.456 -1.578 1.00 0.00 H new ATOM 0 HB3 ARG B 668 5.689 9.819 -0.878 1.00 0.00 H new ATOM 0 HG2 ARG B 668 7.029 8.221 0.515 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.219 6.886 -0.279 1.00 0.00 H new ATOM 0 HD2 ARG B 668 7.254 7.293 -2.342 1.00 0.00 H new ATOM 0 HD3 ARG B 668 7.544 8.985 -1.985 1.00 0.00 H new ATOM 0 HE ARG B 668 9.315 6.776 -1.417 1.00 0.00 H new ATOM 0 HH11 ARG B 668 8.199 9.889 -0.180 1.00 0.00 H new ATOM 0 HH12 ARG B 668 9.701 10.210 0.694 1.00 0.00 H new ATOM 0 HH21 ARG B 668 11.240 7.196 -0.290 1.00 0.00 H new ATOM 0 HH22 ARG B 668 11.414 8.693 0.632 1.00 0.00 H new ATOM 2209 N ALA B 669 2.176 9.421 -0.451 1.00 0.00 N ATOM 2210 CA ALA B 669 1.065 10.304 -0.783 1.00 0.00 C ATOM 2211 C ALA B 669 0.515 10.988 0.463 1.00 0.00 C ATOM 2212 O ALA B 669 0.016 12.112 0.397 1.00 0.00 O ATOM 2213 CB ALA B 669 -0.035 9.524 -1.489 1.00 0.00 C ATOM 0 H ALA B 669 2.051 8.454 -0.749 1.00 0.00 H new ATOM 0 HA ALA B 669 1.436 11.078 -1.455 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.859 10.195 -1.731 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.360 9.088 -2.407 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.395 8.729 -0.835 1.00 0.00 H new ATOM 2219 N TYR B 670 0.608 10.304 1.597 1.00 0.00 N ATOM 2220 CA TYR B 670 0.117 10.845 2.859 1.00 0.00 C ATOM 2221 C TYR B 670 1.101 11.856 3.439 1.00 0.00 C ATOM 2222 O TYR B 670 0.742 13.000 3.721 1.00 0.00 O ATOM 2223 CB TYR B 670 -0.123 9.717 3.864 1.00 0.00 C ATOM 2224 CG TYR B 670 -0.595 10.199 5.216 1.00 0.00 C ATOM 2225 CD1 TYR B 670 0.311 10.635 6.175 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -1.948 10.222 5.534 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -0.117 11.077 7.413 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -2.384 10.662 6.769 1.00 0.00 C ATOM 2229 CZ TYR B 670 -1.465 11.089 7.705 1.00 0.00 C ATOM 2230 OH TYR B 670 -1.895 11.529 8.935 1.00 0.00 O ATOM 0 H TYR B 670 1.019 9.373 1.669 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.826 11.355 2.663 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -0.863 9.029 3.455 1.00 0.00 H new ATOM 0 HB3 TYR B 670 0.801 9.153 3.991 1.00 0.00 H new ATOM 0 HD1 TYR B 670 1.367 10.628 5.950 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -2.671 9.890 4.803 1.00 0.00 H new ATOM 0 HE1 TYR B 670 0.600 11.411 8.148 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -3.439 10.672 7.000 1.00 0.00 H new ATOM 0 HH TYR B 670 -2.872 11.474 8.979 1.00 0.00 H new ATOM 2239 N HIS B 671 2.346 11.425 3.614 1.00 0.00 N ATOM 2240 CA HIS B 671 3.385 12.292 4.159 1.00 0.00 C ATOM 2241 C HIS B 671 3.454 13.608 3.389 1.00 0.00 C ATOM 2242 O HIS B 671 3.811 14.646 3.946 1.00 0.00 O ATOM 2243 CB HIS B 671 4.742 11.590 4.112 1.00 0.00 C ATOM 2244 CG HIS B 671 5.851 12.385 4.729 1.00 0.00 C ATOM 2245 ND1 HIS B 671 6.706 13.179 3.995 1.00 0.00 N ATOM 2246 CD2 HIS B 671 6.240 12.506 6.020 1.00 0.00 C ATOM 2247 CE1 HIS B 671 7.576 13.754 4.808 1.00 0.00 C ATOM 2248 NE2 HIS B 671 7.314 13.363 6.042 1.00 0.00 N ATOM 0 H HIS B 671 2.660 10.482 3.387 1.00 0.00 H new ATOM 0 HA HIS B 671 3.133 12.510 5.197 1.00 0.00 H new ATOM 0 HB2 HIS B 671 4.664 10.632 4.626 1.00 0.00 H new ATOM 0 HB3 HIS B 671 4.995 11.375 3.074 1.00 0.00 H new ATOM 0 HD2 HIS B 671 5.790 12.020 6.873 1.00 0.00 H new ATOM 0 HE1 HIS B 671 8.366 14.429 4.513 1.00 0.00 H new ATOM 0 HE2 HIS B 671 7.826 13.651 6.876 1.00 0.00 H new ATOM 2255 N ALA B 672 3.110 13.557 2.106 1.00 0.00 N ATOM 2256 CA ALA B 672 3.131 14.744 1.262 1.00 0.00 C ATOM 2257 C ALA B 672 2.064 15.743 1.692 1.00 0.00 C ATOM 2258 O ALA B 672 2.343 16.930 1.862 1.00 0.00 O ATOM 2259 CB ALA B 672 2.938 14.357 -0.197 1.00 0.00 C ATOM 0 H ALA B 672 2.813 12.706 1.629 1.00 0.00 H new ATOM 0 HA ALA B 672 4.104 15.222 1.374 1.00 0.00 H new ATOM 0 HB1 ALA B 672 2.956 15.254 -0.817 1.00 0.00 H new ATOM 0 HB2 ALA B 672 3.741 13.687 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA B 672 1.979 13.853 -0.316 1.00 0.00 H new ATOM 2265 N MET B 673 0.839 15.255 1.867 1.00 0.00 N ATOM 2266 CA MET B 673 -0.270 16.107 2.278 1.00 0.00 C ATOM 2267 C MET B 673 0.080 16.885 3.542 1.00 0.00 C ATOM 2268 O MET B 673 -0.323 18.037 3.705 1.00 0.00 O ATOM 2269 CB MET B 673 -1.526 15.265 2.515 1.00 0.00 C ATOM 2270 CG MET B 673 -1.944 14.443 1.307 1.00 0.00 C ATOM 2271 SD MET B 673 -2.910 12.988 1.757 1.00 0.00 S ATOM 2272 CE MET B 673 -4.303 13.749 2.585 1.00 0.00 C ATOM 0 H MET B 673 0.591 14.275 1.731 1.00 0.00 H new ATOM 0 HA MET B 673 -0.464 16.820 1.477 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.351 14.595 3.357 1.00 0.00 H new ATOM 0 HB3 MET B 673 -2.347 15.924 2.797 1.00 0.00 H new ATOM 0 HG2 MET B 673 -2.529 15.068 0.632 1.00 0.00 H new ATOM 0 HG3 MET B 673 -1.055 14.129 0.761 1.00 0.00 H new ATOM 0 HE1 MET B 673 -5.058 12.992 2.797 1.00 0.00 H new ATOM 0 HE2 MET B 673 -3.969 14.200 3.520 1.00 0.00 H new ATOM 0 HE3 MET B 673 -4.731 14.519 1.944 1.00 0.00 H new ATOM 2280 N SER B 674 0.831 16.249 4.434 1.00 0.00 N ATOM 2281 CA SER B 674 1.233 16.880 5.685 1.00 0.00 C ATOM 2282 C SER B 674 2.458 17.766 5.478 1.00 0.00 C ATOM 2283 O SER B 674 2.584 18.825 6.094 1.00 0.00 O ATOM 2284 CB SER B 674 1.532 15.818 6.745 1.00 0.00 C ATOM 2285 OG SER B 674 1.991 14.617 6.148 1.00 0.00 O ATOM 0 H SER B 674 1.174 15.296 4.314 1.00 0.00 H new ATOM 0 HA SER B 674 0.408 17.504 6.029 1.00 0.00 H new ATOM 0 HB2 SER B 674 2.284 16.194 7.439 1.00 0.00 H new ATOM 0 HB3 SER B 674 0.633 15.618 7.328 1.00 0.00 H new ATOM 0 HG SER B 674 2.708 14.821 5.512 1.00 0.00 H new ATOM 2290 N SER B 675 3.359 17.325 4.606 1.00 0.00 N ATOM 2291 CA SER B 675 4.576 18.075 4.319 1.00 0.00 C ATOM 2292 C SER B 675 4.246 19.455 3.760 1.00 0.00 C ATOM 2293 O SER B 675 4.761 20.469 4.231 1.00 0.00 O ATOM 2294 CB SER B 675 5.452 17.307 3.327 1.00 0.00 C ATOM 2295 OG SER B 675 6.539 18.101 2.885 1.00 0.00 O ATOM 0 H SER B 675 3.269 16.452 4.086 1.00 0.00 H new ATOM 0 HA SER B 675 5.123 18.202 5.253 1.00 0.00 H new ATOM 0 HB2 SER B 675 5.829 16.399 3.797 1.00 0.00 H new ATOM 0 HB3 SER B 675 4.852 16.998 2.471 1.00 0.00 H new ATOM 0 HG SER B 675 7.084 17.587 2.253 1.00 0.00 H new ATOM 2300 N THR B 676 3.381 19.486 2.751 1.00 0.00 N ATOM 2301 CA THR B 676 2.980 20.740 2.125 1.00 0.00 C ATOM 2302 C THR B 676 1.994 21.502 3.003 1.00 0.00 C ATOM 2303 O THR B 676 1.700 22.672 2.754 1.00 0.00 O ATOM 2304 CB THR B 676 2.342 20.500 0.745 1.00 0.00 C ATOM 2305 OG1 THR B 676 2.946 19.365 0.115 1.00 0.00 O ATOM 2306 CG2 THR B 676 2.500 21.724 -0.145 1.00 0.00 C ATOM 0 H THR B 676 2.944 18.656 2.350 1.00 0.00 H new ATOM 0 HA THR B 676 3.885 21.334 2.000 1.00 0.00 H new ATOM 0 HB THR B 676 1.278 20.310 0.890 1.00 0.00 H new ATOM 0 HG1 THR B 676 2.533 19.219 -0.761 1.00 0.00 H new ATOM 0 HG21 THR B 676 2.041 21.530 -1.115 1.00 0.00 H new ATOM 0 HG22 THR B 676 2.012 22.579 0.323 1.00 0.00 H new ATOM 0 HG23 THR B 676 3.560 21.940 -0.281 1.00 0.00 H new ATOM 2314 N HIS B 677 1.485 20.832 4.033 1.00 0.00 N ATOM 2315 CA HIS B 677 0.532 21.448 4.949 1.00 0.00 C ATOM 2316 C HIS B 677 1.075 22.766 5.494 1.00 0.00 C ATOM 2317 O HIS B 677 0.312 23.673 5.826 1.00 0.00 O ATOM 2318 CB HIS B 677 0.216 20.498 6.104 1.00 0.00 C ATOM 2319 CG HIS B 677 -1.203 20.584 6.580 1.00 0.00 C ATOM 2320 ND1 HIS B 677 -1.678 21.630 7.343 1.00 0.00 N ATOM 2321 CD2 HIS B 677 -2.250 19.747 6.395 1.00 0.00 C ATOM 2322 CE1 HIS B 677 -2.957 21.432 7.608 1.00 0.00 C ATOM 2323 NE2 HIS B 677 -3.329 20.297 7.045 1.00 0.00 N ATOM 0 H HIS B 677 1.717 19.863 4.254 1.00 0.00 H new ATOM 0 HA HIS B 677 -0.384 21.654 4.396 1.00 0.00 H new ATOM 0 HB2 HIS B 677 0.424 19.475 5.790 1.00 0.00 H new ATOM 0 HB3 HIS B 677 0.884 20.717 6.937 1.00 0.00 H new ATOM 0 HD2 HIS B 677 -2.240 18.820 5.840 1.00 0.00 H new ATOM 0 HE1 HIS B 677 -3.591 22.087 8.187 1.00 0.00 H new ATOM 0 HE2 HIS B 677 -4.265 19.894 7.086 1.00 0.00 H new ATOM 2330 N GLU B 678 2.398 22.863 5.585 1.00 0.00 N ATOM 2331 CA GLU B 678 3.042 24.070 6.090 1.00 0.00 C ATOM 2332 C GLU B 678 2.635 25.289 5.269 1.00 0.00 C ATOM 2333 O GLU B 678 2.693 26.421 5.747 1.00 0.00 O ATOM 2334 CB GLU B 678 4.563 23.909 6.067 1.00 0.00 C ATOM 2335 CG GLU B 678 5.138 23.365 7.365 1.00 0.00 C ATOM 2336 CD GLU B 678 6.632 23.594 7.483 1.00 0.00 C ATOM 2337 OE1 GLU B 678 7.375 23.130 6.592 1.00 0.00 O ATOM 2338 OE2 GLU B 678 7.059 24.237 8.465 1.00 0.00 O ATOM 0 H GLU B 678 3.044 22.121 5.316 1.00 0.00 H new ATOM 0 HA GLU B 678 2.715 24.223 7.119 1.00 0.00 H new ATOM 0 HB2 GLU B 678 4.837 23.241 5.250 1.00 0.00 H new ATOM 0 HB3 GLU B 678 5.019 24.876 5.855 1.00 0.00 H new ATOM 0 HG2 GLU B 678 4.634 23.838 8.208 1.00 0.00 H new ATOM 0 HG3 GLU B 678 4.932 22.297 7.430 1.00 0.00 H new ATOM 2343 N ALA B 679 2.225 25.049 4.028 1.00 0.00 N ATOM 2344 CA ALA B 679 1.807 26.127 3.139 1.00 0.00 C ATOM 2345 C ALA B 679 0.759 27.012 3.805 1.00 0.00 C ATOM 2346 O ALA B 679 0.662 28.202 3.509 1.00 0.00 O ATOM 2347 CB ALA B 679 1.267 25.557 1.836 1.00 0.00 C ATOM 0 H ALA B 679 2.173 24.118 3.615 1.00 0.00 H new ATOM 0 HA ALA B 679 2.679 26.743 2.920 1.00 0.00 H new ATOM 0 HB1 ALA B 679 0.959 26.373 1.182 1.00 0.00 H new ATOM 0 HB2 ALA B 679 2.045 24.972 1.345 1.00 0.00 H new ATOM 0 HB3 ALA B 679 0.410 24.917 2.046 1.00 0.00 H new ATOM 2353 N ASN B 680 -0.022 26.423 4.704 1.00 0.00 N ATOM 2354 CA ASN B 680 -1.063 27.159 5.412 1.00 0.00 C ATOM 2355 C ASN B 680 -0.499 28.429 6.043 1.00 0.00 C ATOM 2356 O ASN B 680 -0.881 29.541 5.679 1.00 0.00 O ATOM 2357 CB ASN B 680 -1.697 26.278 6.489 1.00 0.00 C ATOM 2358 CG ASN B 680 -3.167 26.009 6.226 1.00 0.00 C ATOM 2359 OD1 ASN B 680 -3.869 26.844 5.654 1.00 0.00 O ATOM 2360 ND2 ASN B 680 -3.638 24.840 6.643 1.00 0.00 N ATOM 0 H ASN B 680 0.046 25.438 4.960 1.00 0.00 H new ATOM 0 HA ASN B 680 -1.828 27.443 4.689 1.00 0.00 H new ATOM 0 HB2 ASN B 680 -1.161 25.330 6.541 1.00 0.00 H new ATOM 0 HB3 ASN B 680 -1.587 26.760 7.460 1.00 0.00 H new ATOM 0 HD21 ASN B 680 -4.619 24.603 6.494 1.00 0.00 H new ATOM 0 HD22 ASN B 680 -3.019 24.179 7.112 1.00 0.00 H new ATOM 2366 N THR B 681 0.415 28.254 6.993 1.00 0.00 N ATOM 2367 CA THR B 681 1.032 29.384 7.677 1.00 0.00 C ATOM 2368 C THR B 681 2.041 30.088 6.776 1.00 0.00 C ATOM 2369 O THR B 681 2.320 31.273 6.949 1.00 0.00 O ATOM 2370 CB THR B 681 1.739 28.940 8.971 1.00 0.00 C ATOM 2371 OG1 THR B 681 1.994 27.531 8.931 1.00 0.00 O ATOM 2372 CG2 THR B 681 0.894 29.271 10.191 1.00 0.00 C ATOM 0 H THR B 681 0.744 27.341 7.306 1.00 0.00 H new ATOM 0 HA THR B 681 0.229 30.077 7.930 1.00 0.00 H new ATOM 0 HB THR B 681 2.683 29.479 9.045 1.00 0.00 H new ATOM 0 HG1 THR B 681 1.191 27.045 9.212 1.00 0.00 H new ATOM 0 HG21 THR B 681 1.414 28.948 11.093 1.00 0.00 H new ATOM 0 HG22 THR B 681 0.725 30.347 10.235 1.00 0.00 H new ATOM 0 HG23 THR B 681 -0.064 28.756 10.121 1.00 0.00 H new ATOM 2380 N MET B 682 2.583 29.349 5.814 1.00 0.00 N ATOM 2381 CA MET B 682 3.560 29.903 4.884 1.00 0.00 C ATOM 2382 C MET B 682 2.950 31.040 4.070 1.00 0.00 C ATOM 2383 O MET B 682 3.609 32.042 3.795 1.00 0.00 O ATOM 2384 CB MET B 682 4.082 28.812 3.947 1.00 0.00 C ATOM 2385 CG MET B 682 5.595 28.662 3.972 1.00 0.00 C ATOM 2386 SD MET B 682 6.120 26.994 4.412 1.00 0.00 S ATOM 2387 CE MET B 682 5.258 26.030 3.171 1.00 0.00 C ATOM 0 H MET B 682 2.362 28.365 5.658 1.00 0.00 H new ATOM 0 HA MET B 682 4.393 30.300 5.465 1.00 0.00 H new ATOM 0 HB2 MET B 682 3.626 27.861 4.221 1.00 0.00 H new ATOM 0 HB3 MET B 682 3.764 29.036 2.929 1.00 0.00 H new ATOM 0 HG2 MET B 682 5.998 28.919 2.992 1.00 0.00 H new ATOM 0 HG3 MET B 682 6.015 29.371 4.686 1.00 0.00 H new ATOM 0 HE1 MET B 682 4.637 25.279 3.660 1.00 0.00 H new ATOM 0 HE2 MET B 682 4.628 26.688 2.572 1.00 0.00 H new ATOM 0 HE3 MET B 682 5.984 25.536 2.525 1.00 0.00 H new ATOM 2395 N ALA B 683 1.689 30.876 3.685 1.00 0.00 N ATOM 2396 CA ALA B 683 0.991 31.889 2.904 1.00 0.00 C ATOM 2397 C ALA B 683 0.955 33.224 3.641 1.00 0.00 C ATOM 2398 O ALA B 683 0.912 34.286 3.021 1.00 0.00 O ATOM 2399 CB ALA B 683 -0.421 31.425 2.580 1.00 0.00 C ATOM 0 H ALA B 683 1.130 30.051 3.901 1.00 0.00 H new ATOM 0 HA ALA B 683 1.538 32.034 1.972 1.00 0.00 H new ATOM 0 HB1 ALA B 683 -0.931 32.191 1.996 1.00 0.00 H new ATOM 0 HB2 ALA B 683 -0.377 30.500 2.005 1.00 0.00 H new ATOM 0 HB3 ALA B 683 -0.968 31.251 3.506 1.00 0.00 H new ATOM 2405 N MET B 684 0.973 33.162 4.969 1.00 0.00 N ATOM 2406 CA MET B 684 0.943 34.365 5.790 1.00 0.00 C ATOM 2407 C MET B 684 2.029 35.346 5.359 1.00 0.00 C ATOM 2408 O MET B 684 3.038 34.949 4.776 1.00 0.00 O ATOM 2409 CB MET B 684 1.120 34.006 7.268 1.00 0.00 C ATOM 2410 CG MET B 684 0.571 35.057 8.219 1.00 0.00 C ATOM 2411 SD MET B 684 -0.195 34.334 9.683 1.00 0.00 S ATOM 2412 CE MET B 684 0.340 35.485 10.947 1.00 0.00 C ATOM 0 H MET B 684 1.008 32.291 5.498 1.00 0.00 H new ATOM 0 HA MET B 684 -0.027 34.842 5.654 1.00 0.00 H new ATOM 0 HB2 MET B 684 0.624 33.056 7.464 1.00 0.00 H new ATOM 0 HB3 MET B 684 2.181 33.860 7.474 1.00 0.00 H new ATOM 0 HG2 MET B 684 1.379 35.721 8.526 1.00 0.00 H new ATOM 0 HG3 MET B 684 -0.163 35.669 7.694 1.00 0.00 H new ATOM 0 HE1 MET B 684 -0.055 35.173 11.914 1.00 0.00 H new ATOM 0 HE2 MET B 684 1.429 35.501 10.987 1.00 0.00 H new ATOM 0 HE3 MET B 684 -0.029 36.483 10.710 1.00 0.00 H new ATOM 2420 N MET B 685 1.816 36.625 5.651 1.00 0.00 N ATOM 2421 CA MET B 685 2.780 37.660 5.293 1.00 0.00 C ATOM 2422 C MET B 685 4.022 37.574 6.173 1.00 0.00 C ATOM 2423 O MET B 685 5.119 37.945 5.754 1.00 0.00 O ATOM 2424 CB MET B 685 2.144 39.045 5.423 1.00 0.00 C ATOM 2425 CG MET B 685 1.039 39.304 4.411 1.00 0.00 C ATOM 2426 SD MET B 685 1.524 40.490 3.143 1.00 0.00 S ATOM 2427 CE MET B 685 0.017 41.444 2.977 1.00 0.00 C ATOM 0 H MET B 685 0.986 36.969 6.134 1.00 0.00 H new ATOM 0 HA MET B 685 3.079 37.501 4.257 1.00 0.00 H new ATOM 0 HB2 MET B 685 1.738 39.156 6.428 1.00 0.00 H new ATOM 0 HB3 MET B 685 2.918 39.804 5.306 1.00 0.00 H new ATOM 0 HG2 MET B 685 0.759 38.364 3.936 1.00 0.00 H new ATOM 0 HG3 MET B 685 0.155 39.674 4.930 1.00 0.00 H new ATOM 0 HE1 MET B 685 0.159 42.221 2.226 1.00 0.00 H new ATOM 0 HE2 MET B 685 -0.797 40.787 2.671 1.00 0.00 H new ATOM 0 HE3 MET B 685 -0.229 41.905 3.934 1.00 0.00 H new ATOM 2435 N ALA B 686 3.844 37.081 7.394 1.00 0.00 N ATOM 2436 CA ALA B 686 4.951 36.945 8.333 1.00 0.00 C ATOM 2437 C ALA B 686 6.111 36.179 7.705 1.00 0.00 C ATOM 2438 O ALA B 686 7.273 36.555 7.862 1.00 0.00 O ATOM 2439 CB ALA B 686 4.484 36.252 9.603 1.00 0.00 C ATOM 0 H ALA B 686 2.943 36.769 7.756 1.00 0.00 H new ATOM 0 HA ALA B 686 5.305 37.944 8.588 1.00 0.00 H new ATOM 0 HB1 ALA B 686 5.321 36.157 10.295 1.00 0.00 H new ATOM 0 HB2 ALA B 686 3.693 36.840 10.069 1.00 0.00 H new ATOM 0 HB3 ALA B 686 4.102 35.261 9.357 1.00 0.00 H new ATOM 2445 N ARG B 687 5.788 35.103 6.995 1.00 0.00 N ATOM 2446 CA ARG B 687 6.804 34.283 6.346 1.00 0.00 C ATOM 2447 C ARG B 687 7.265 34.923 5.039 1.00 0.00 C ATOM 2448 O ARG B 687 8.433 34.818 4.664 1.00 0.00 O ATOM 2449 CB ARG B 687 6.260 32.879 6.074 1.00 0.00 C ATOM 2450 CG ARG B 687 7.056 31.776 6.751 1.00 0.00 C ATOM 2451 CD ARG B 687 6.699 31.654 8.225 1.00 0.00 C ATOM 2452 NE ARG B 687 7.782 31.059 9.002 1.00 0.00 N ATOM 2453 CZ ARG B 687 7.730 30.880 10.318 1.00 0.00 C ATOM 2454 NH1 ARG B 687 6.654 31.250 10.998 1.00 0.00 N ATOM 2455 NH2 ARG B 687 8.756 30.331 10.955 1.00 0.00 N ATOM 0 H ARG B 687 4.831 34.779 6.855 1.00 0.00 H new ATOM 0 HA ARG B 687 7.660 34.210 7.017 1.00 0.00 H new ATOM 0 HB2 ARG B 687 5.225 32.828 6.411 1.00 0.00 H new ATOM 0 HB3 ARG B 687 6.254 32.703 4.998 1.00 0.00 H new ATOM 0 HG2 ARG B 687 6.864 30.827 6.250 1.00 0.00 H new ATOM 0 HG3 ARG B 687 8.122 31.980 6.650 1.00 0.00 H new ATOM 0 HD2 ARG B 687 6.466 32.641 8.625 1.00 0.00 H new ATOM 0 HD3 ARG B 687 5.800 31.047 8.331 1.00 0.00 H new ATOM 0 HE ARG B 687 8.625 30.765 8.508 1.00 0.00 H new ATOM 0 HH11 ARG B 687 5.864 31.673 10.511 1.00 0.00 H new ATOM 0 HH12 ARG B 687 6.616 31.112 12.008 1.00 0.00 H new ATOM 0 HH21 ARG B 687 9.586 30.046 10.435 1.00 0.00 H new ATOM 0 HH22 ARG B 687 8.715 30.194 11.965 1.00 0.00 H new ATOM 2466 N ASP B 688 6.341 35.584 4.352 1.00 0.00 N ATOM 2467 CA ASP B 688 6.652 36.240 3.087 1.00 0.00 C ATOM 2468 C ASP B 688 6.315 37.727 3.150 1.00 0.00 C ATOM 2469 O ASP B 688 5.277 38.162 2.652 1.00 0.00 O ATOM 2470 CB ASP B 688 5.885 35.579 1.942 1.00 0.00 C ATOM 2471 CG ASP B 688 6.216 34.107 1.796 1.00 0.00 C ATOM 2472 OD1 ASP B 688 7.324 33.793 1.314 1.00 0.00 O ATOM 2473 OD2 ASP B 688 5.367 33.269 2.166 1.00 0.00 O ATOM 0 H ASP B 688 5.370 35.680 4.649 1.00 0.00 H new ATOM 0 HA ASP B 688 7.721 36.135 2.905 1.00 0.00 H new ATOM 0 HB2 ASP B 688 4.814 35.692 2.113 1.00 0.00 H new ATOM 0 HB3 ASP B 688 6.115 36.094 1.009 1.00 0.00 H new ATOM 2477 N THR B 689 7.201 38.504 3.767 1.00 0.00 N ATOM 2478 CA THR B 689 6.998 39.941 3.896 1.00 0.00 C ATOM 2479 C THR B 689 7.880 40.712 2.921 1.00 0.00 C ATOM 2480 O THR B 689 7.504 41.781 2.442 1.00 0.00 O ATOM 2481 CB THR B 689 7.294 40.423 5.329 1.00 0.00 C ATOM 2482 OG1 THR B 689 6.939 41.803 5.466 1.00 0.00 O ATOM 2483 CG2 THR B 689 8.765 40.236 5.670 1.00 0.00 C ATOM 0 H THR B 689 8.066 38.161 4.185 1.00 0.00 H new ATOM 0 HA THR B 689 5.951 40.134 3.664 1.00 0.00 H new ATOM 0 HB THR B 689 6.698 39.826 6.019 1.00 0.00 H new ATOM 0 HG1 THR B 689 7.129 42.100 6.380 1.00 0.00 H new ATOM 0 HG21 THR B 689 8.950 40.583 6.687 1.00 0.00 H new ATOM 0 HG22 THR B 689 9.025 39.180 5.594 1.00 0.00 H new ATOM 0 HG23 THR B 689 9.376 40.810 4.974 1.00 0.00 H new ATOM 2491 N ALA B 690 9.054 40.162 2.631 1.00 0.00 N ATOM 2492 CA ALA B 690 9.989 40.796 1.710 1.00 0.00 C ATOM 2493 C ALA B 690 9.765 40.312 0.281 1.00 0.00 C ATOM 2494 O ALA B 690 10.123 40.995 -0.678 1.00 0.00 O ATOM 2495 CB ALA B 690 11.422 40.527 2.143 1.00 0.00 C ATOM 0 H ALA B 690 9.381 39.278 3.021 1.00 0.00 H new ATOM 0 HA ALA B 690 9.811 41.871 1.733 1.00 0.00 H new ATOM 0 HB1 ALA B 690 12.109 41.007 1.446 1.00 0.00 H new ATOM 0 HB2 ALA B 690 11.581 40.929 3.144 1.00 0.00 H new ATOM 0 HB3 ALA B 690 11.604 39.452 2.150 1.00 0.00 H new ATOM 2501 N GLU B 691 9.173 39.130 0.147 1.00 0.00 N ATOM 2502 CA GLU B 691 8.905 38.554 -1.165 1.00 0.00 C ATOM 2503 C GLU B 691 7.731 39.260 -1.839 1.00 0.00 C ATOM 2504 O GLU B 691 7.880 39.847 -2.910 1.00 0.00 O ATOM 2505 CB GLU B 691 8.610 37.058 -1.040 1.00 0.00 C ATOM 2506 CG GLU B 691 9.484 36.349 -0.019 1.00 0.00 C ATOM 2507 CD GLU B 691 9.989 35.007 -0.515 1.00 0.00 C ATOM 2508 OE1 GLU B 691 10.656 34.976 -1.569 1.00 0.00 O ATOM 2509 OE2 GLU B 691 9.715 33.988 0.153 1.00 0.00 O ATOM 0 H GLU B 691 8.870 38.552 0.931 1.00 0.00 H new ATOM 0 HA GLU B 691 9.793 38.691 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU B 691 7.564 36.924 -0.766 1.00 0.00 H new ATOM 0 HB3 GLU B 691 8.747 36.587 -2.013 1.00 0.00 H new ATOM 0 HG2 GLU B 691 10.335 36.984 0.229 1.00 0.00 H new ATOM 0 HG3 GLU B 691 8.917 36.202 0.900 1.00 0.00 H new ATOM 2514 N ALA B 692 6.567 39.198 -1.203 1.00 0.00 N ATOM 2515 CA ALA B 692 5.369 39.831 -1.739 1.00 0.00 C ATOM 2516 C ALA B 692 5.545 41.342 -1.841 1.00 0.00 C ATOM 2517 O ALA B 692 4.887 42.001 -2.646 1.00 0.00 O ATOM 2518 CB ALA B 692 4.162 39.496 -0.874 1.00 0.00 C ATOM 0 H ALA B 692 6.428 38.715 -0.315 1.00 0.00 H new ATOM 0 HA ALA B 692 5.202 39.442 -2.743 1.00 0.00 H new ATOM 0 HB1 ALA B 692 3.274 39.976 -1.286 1.00 0.00 H new ATOM 0 HB2 ALA B 692 4.016 38.416 -0.856 1.00 0.00 H new ATOM 0 HB3 ALA B 692 4.330 39.856 0.141 1.00 0.00 H new ATOM 2524 N ALA B 693 6.437 41.885 -1.019 1.00 0.00 N ATOM 2525 CA ALA B 693 6.701 43.319 -1.018 1.00 0.00 C ATOM 2526 C ALA B 693 7.716 43.692 -2.093 1.00 0.00 C ATOM 2527 O ALA B 693 7.741 44.824 -2.573 1.00 0.00 O ATOM 2528 CB ALA B 693 7.193 43.764 0.352 1.00 0.00 C ATOM 0 H ALA B 693 6.989 41.354 -0.345 1.00 0.00 H new ATOM 0 HA ALA B 693 5.767 43.835 -1.243 1.00 0.00 H new ATOM 0 HB1 ALA B 693 7.386 44.837 0.338 1.00 0.00 H new ATOM 0 HB2 ALA B 693 6.433 43.542 1.101 1.00 0.00 H new ATOM 0 HB3 ALA B 693 8.112 43.233 0.599 1.00 0.00 H new ATOM 2534 N LYS B 694 8.553 42.730 -2.468 1.00 0.00 N ATOM 2535 CA LYS B 694 9.571 42.955 -3.488 1.00 0.00 C ATOM 2536 C LYS B 694 8.947 43.503 -4.767 1.00 0.00 C ATOM 2537 O LYS B 694 9.490 44.413 -5.394 1.00 0.00 O ATOM 2538 CB LYS B 694 10.318 41.654 -3.789 1.00 0.00 C ATOM 2539 CG LYS B 694 11.816 41.838 -3.955 1.00 0.00 C ATOM 2540 CD LYS B 694 12.578 40.583 -3.561 1.00 0.00 C ATOM 2541 CE LYS B 694 12.264 39.424 -4.495 1.00 0.00 C ATOM 2542 NZ LYS B 694 13.364 38.421 -4.524 1.00 0.00 N ATOM 0 H LYS B 694 8.546 41.787 -2.080 1.00 0.00 H new ATOM 0 HA LYS B 694 10.277 43.691 -3.104 1.00 0.00 H new ATOM 0 HB2 LYS B 694 10.135 40.944 -2.982 1.00 0.00 H new ATOM 0 HB3 LYS B 694 9.911 41.214 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS B 694 12.040 42.091 -4.991 1.00 0.00 H new ATOM 0 HG3 LYS B 694 12.151 42.676 -3.343 1.00 0.00 H new ATOM 0 HD2 LYS B 694 13.649 40.786 -3.578 1.00 0.00 H new ATOM 0 HD3 LYS B 694 12.322 40.307 -2.538 1.00 0.00 H new ATOM 0 HE2 LYS B 694 11.340 38.941 -4.176 1.00 0.00 H new ATOM 0 HE3 LYS B 694 12.093 39.805 -5.502 1.00 0.00 H new ATOM 0 HZ1 LYS B 694 13.112 37.647 -5.172 1.00 0.00 H new ATOM 0 HZ2 LYS B 694 14.240 38.876 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS B 694 13.510 38.038 -3.568 1.00 0.00 H new ATOM 2552 N TRP B 695 7.804 42.946 -5.148 1.00 0.00 N ATOM 2553 CA TRP B 695 7.105 43.379 -6.353 1.00 0.00 C ATOM 2554 C TRP B 695 6.801 44.873 -6.297 1.00 0.00 C ATOM 2555 O TRP B 695 7.018 45.598 -7.268 1.00 0.00 O ATOM 2556 CB TRP B 695 5.809 42.588 -6.529 1.00 0.00 C ATOM 2557 CG TRP B 695 5.904 41.516 -7.573 1.00 0.00 C ATOM 2558 CD1 TRP B 695 5.597 40.195 -7.420 1.00 0.00 C ATOM 2559 CD2 TRP B 695 6.339 41.676 -8.927 1.00 0.00 C ATOM 2560 NE1 TRP B 695 5.814 39.522 -8.599 1.00 0.00 N ATOM 2561 CE2 TRP B 695 6.268 40.408 -9.539 1.00 0.00 C ATOM 2562 CE3 TRP B 695 6.778 42.765 -9.684 1.00 0.00 C ATOM 2563 CZ2 TRP B 695 6.622 40.204 -10.870 1.00 0.00 C ATOM 2564 CZ3 TRP B 695 7.130 42.560 -11.005 1.00 0.00 C ATOM 2565 CH2 TRP B 695 7.049 41.288 -11.587 1.00 0.00 C ATOM 0 H TRP B 695 7.341 42.193 -4.640 1.00 0.00 H new ATOM 0 HA TRP B 695 7.754 43.190 -7.208 1.00 0.00 H new ATOM 0 HB2 TRP B 695 5.537 42.134 -5.576 1.00 0.00 H new ATOM 0 HB3 TRP B 695 5.006 43.275 -6.796 1.00 0.00 H new ATOM 0 HD1 TRP B 695 5.237 39.745 -6.507 1.00 0.00 H new ATOM 0 HE1 TRP B 695 5.662 38.525 -8.749 1.00 0.00 H new ATOM 0 HE3 TRP B 695 6.841 43.750 -9.245 1.00 0.00 H new ATOM 0 HZ2 TRP B 695 6.562 39.224 -11.321 1.00 0.00 H new ATOM 0 HZ3 TRP B 695 7.473 43.394 -11.599 1.00 0.00 H new ATOM 0 HH2 TRP B 695 7.329 41.161 -12.622 1.00 0.00 H new ATOM 2575 N GLY B 696 6.296 45.327 -5.154 1.00 0.00 N ATOM 2576 CA GLY B 696 5.970 46.732 -4.993 1.00 0.00 C ATOM 2577 C GLY B 696 4.478 46.991 -5.055 1.00 0.00 C ATOM 2578 O GLY B 696 3.854 47.311 -4.044 1.00 0.00 O ATOM 0 H GLY B 696 6.107 44.747 -4.337 1.00 0.00 H new ATOM 0 HA2 GLY B 696 6.358 47.085 -4.037 1.00 0.00 H new ATOM 0 HA3 GLY B 696 6.469 47.309 -5.772 1.00 0.00 H new ATOM 2582 N GLY B 697 3.903 46.855 -6.246 1.00 0.00 N ATOM 2583 CA GLY B 697 2.479 47.082 -6.414 1.00 0.00 C ATOM 2584 C GLY B 697 1.638 46.120 -5.599 1.00 0.00 C ATOM 2585 O GLY B 697 2.097 45.036 -5.240 1.00 0.00 O ATOM 0 H GLY B 697 4.398 46.592 -7.098 1.00 0.00 H new ATOM 0 HA2 GLY B 697 2.241 48.105 -6.122 1.00 0.00 H new ATOM 0 HA3 GLY B 697 2.220 46.982 -7.468 1.00 0.00 H new TER 2589 GLY B 697