USER MOD reduce.3.24.130724 H: found=0, std=0, add=1287, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1279 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 NoAdj-H: B 569 HIS HD1 : B 569 HIS ND1 : B 701 ZNZN :(H bumps) USER MOD NoAdj-H: B 572 HIS HD1 : B 572 HIS ND1 : B 701 ZNZN :(H bumps) USER MOD Set 1.1: B 562 THR OG1 : rot 177:sc= 0.172 USER MOD Set 1.2: B 567 LYS NZ :NH3+ 140:sc= 0.175 (180deg=-0.0067) USER MOD Set 2.1: A 74 LYS NZ :NH3+ 161:sc= -1.28 (180deg=-2.19) USER MOD Set 2.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 45 MET CE :methyl 167:sc= -4.13! (180deg=-0.79) USER MOD Set 3.2: B 602 LYS NZ :NH3+ -162:sc= -3.46! (180deg=-0.0285) USER MOD Set 4.1: A 25 THR OG1 : rot 180:sc= -0.586 USER MOD Set 4.2: A 93 THR OG1 : rot 180:sc= -0.776 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 172:sc= -0.928 (180deg=-1.21) USER MOD Single : A 12 CYS SG : rot 123:sc= 0.901 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 29:sc= 0.113 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -3.64! C(o=-3.6!,f=-3.1!) USER MOD Single : A 28 ASN : amide:sc= -2.62! K(o=-2.6!,f=-1.3) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.771 USER MOD Single : A 40 HIS : no HD1:sc= -0.942 X(o=-0.94,f=-0.95) USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= 0.282 (180deg=-0.288) USER MOD Single : A 51 LYS NZ :NH3+ -115:sc= -0.815 (180deg=-2.6!) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= -5.68! (180deg=-5.86!) USER MOD Single : A 56 LYS NZ :NH3+ -152:sc= -1.11 (180deg=-1.85) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -5.46! C(o=-5.5!,f=-4.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 75 THR OG1 : rot -110:sc= -0.666 USER MOD Single : A 76 HIS : no HD1:sc= -0.0151 X(o=-0.015,f=-0.015) USER MOD Single : A 78 THR OG1 : rot -91:sc= -0.357 USER MOD Single : A 81 LYS NZ :NH3+ -172:sc= 0.548 (180deg=0.521) USER MOD Single : A 85 GLN : amide:sc= -2.95! K(o=-3!,f=-1.5) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -8.07! C(o=-8.1!,f=-10!) USER MOD Single : B 541 TYR OH : rot 180:sc= 0 USER MOD Single : B 542 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.41) USER MOD Single : B 547 SER OG : rot 54:sc= 1.22 USER MOD Single : B 550 SER OG : rot 180:sc= 0 USER MOD Single : B 553 GLN : amide:sc= -3.26! K(o=-3.3!,f=-1.2) USER MOD Single : B 554 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 557 THR OG1 : rot 60:sc= 1.03 USER MOD Single : B 560 CYS SG : rot 34:sc= 0.397 USER MOD Single : B 564 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 566 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 580 LYS NZ :NH3+ 158:sc= -0.0406 (180deg=-0.918) USER MOD Single : B 581 GLN : amide:sc= -5.19! K(o=-5.2!,f=-2.1) USER MOD Single : B 583 ASN : amide:sc= -2.1! C(o=-2.1!,f=-4.6!) USER MOD Single : B 584 LYS NZ :NH3+ 143:sc= -1.29 (180deg=-3.28!) USER MOD Single : B 586 THR OG1 : rot 66:sc= 0.266 USER MOD Single : B 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 590 GLN : amide:sc= -4.47! C(o=-4.5!,f=-2.7!) USER MOD Single : B 591 ASN : amide:sc= -9.27! C(o=-9.3!,f=-6.1!) USER MOD Single : B 593 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.02) USER MOD Single : B 595 TYR OH : rot 180:sc= 0 USER MOD Single : B 597 GLN : amide:sc= -4.78! K(o=-4.8!,f=-0.28) USER MOD Single : B 598 ASN : amide:sc= -0.712 X(o=-0.71,f=-0.59) USER MOD Single : B 605 CYS SG : rot 35:sc= 0.0219! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 91.838 -25.189 4.364 1.00 0.00 N ATOM 2 CA MET A 1 91.967 -26.658 4.579 1.00 0.00 C ATOM 3 C MET A 1 92.137 -26.939 6.076 1.00 0.00 C ATOM 4 O MET A 1 91.197 -26.840 6.840 1.00 0.00 O ATOM 5 CB MET A 1 93.174 -27.184 3.795 1.00 0.00 C ATOM 6 CG MET A 1 93.184 -28.712 3.848 1.00 0.00 C ATOM 7 SD MET A 1 94.760 -29.335 3.210 1.00 0.00 S ATOM 8 CE MET A 1 94.284 -29.426 1.466 1.00 0.00 C ATOM 0 H1 MET A 1 91.722 -24.996 3.349 1.00 0.00 H new ATOM 0 H2 MET A 1 91.008 -24.834 4.881 1.00 0.00 H new ATOM 0 H3 MET A 1 92.693 -24.711 4.712 1.00 0.00 H new ATOM 0 HA MET A 1 91.070 -27.165 4.224 1.00 0.00 H new ATOM 0 HB2 MET A 1 93.126 -26.845 2.760 1.00 0.00 H new ATOM 0 HB3 MET A 1 94.097 -26.788 4.218 1.00 0.00 H new ATOM 0 HG2 MET A 1 93.036 -29.051 4.873 1.00 0.00 H new ATOM 0 HG3 MET A 1 92.359 -29.111 3.258 1.00 0.00 H new ATOM 0 HE1 MET A 1 95.125 -29.794 0.878 1.00 0.00 H new ATOM 0 HE2 MET A 1 93.439 -30.105 1.355 1.00 0.00 H new ATOM 0 HE3 MET A 1 94.002 -28.434 1.114 1.00 0.00 H new ATOM 18 N ALA A 2 93.321 -27.291 6.508 1.00 0.00 N ATOM 19 CA ALA A 2 93.538 -27.578 7.960 1.00 0.00 C ATOM 20 C ALA A 2 94.925 -27.085 8.358 1.00 0.00 C ATOM 21 O ALA A 2 95.137 -26.599 9.451 1.00 0.00 O ATOM 22 CB ALA A 2 93.447 -29.084 8.197 1.00 0.00 C ATOM 0 H ALA A 2 94.147 -27.392 5.919 1.00 0.00 H new ATOM 0 HA ALA A 2 92.779 -27.071 8.557 1.00 0.00 H new ATOM 0 HB1 ALA A 2 93.605 -29.296 9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 2 92.461 -29.440 7.899 1.00 0.00 H new ATOM 0 HB3 ALA A 2 94.210 -29.592 7.607 1.00 0.00 H new ATOM 28 N LEU A 3 95.865 -27.199 7.468 1.00 0.00 N ATOM 29 CA LEU A 3 97.237 -26.736 7.758 1.00 0.00 C ATOM 30 C LEU A 3 97.208 -25.270 8.072 1.00 0.00 C ATOM 31 O LEU A 3 97.538 -24.842 9.152 1.00 0.00 O ATOM 32 CB LEU A 3 98.064 -26.909 6.516 1.00 0.00 C ATOM 33 CG LEU A 3 98.157 -28.401 6.169 1.00 0.00 C ATOM 34 CD1 LEU A 3 96.854 -28.905 5.511 1.00 0.00 C ATOM 35 CD2 LEU A 3 99.326 -28.595 5.220 1.00 0.00 C ATOM 0 H LEU A 3 95.735 -27.600 6.539 1.00 0.00 H new ATOM 0 HA LEU A 3 97.646 -27.301 8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 3 97.616 -26.359 5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 3 99.061 -26.497 6.670 1.00 0.00 H new ATOM 0 HG LEU A 3 98.306 -28.975 7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 3 96.951 -29.965 5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 3 96.020 -28.760 6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 3 96.670 -28.346 4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 3 99.412 -29.650 4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 3 99.161 -28.010 4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 3 100.246 -28.265 5.703 1.00 0.00 H new ATOM 47 N ASP A 4 96.821 -24.506 7.099 1.00 0.00 N ATOM 48 CA ASP A 4 96.744 -23.040 7.261 1.00 0.00 C ATOM 49 C ASP A 4 95.334 -22.700 7.729 1.00 0.00 C ATOM 50 O ASP A 4 94.806 -21.639 7.461 1.00 0.00 O ATOM 51 CB ASP A 4 96.962 -22.397 5.910 1.00 0.00 C ATOM 52 CG ASP A 4 96.934 -20.873 6.048 1.00 0.00 C ATOM 53 OD1 ASP A 4 96.319 -20.233 5.212 1.00 0.00 O ATOM 54 OD2 ASP A 4 97.529 -20.373 6.988 1.00 0.00 O ATOM 0 H ASP A 4 96.549 -24.846 6.177 1.00 0.00 H new ATOM 0 HA ASP A 4 97.490 -22.688 7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 4 97.919 -22.716 5.496 1.00 0.00 H new ATOM 0 HB3 ASP A 4 96.189 -22.722 5.214 1.00 0.00 H new ATOM 59 N GLY A 5 94.718 -23.627 8.398 1.00 0.00 N ATOM 60 CA GLY A 5 93.317 -23.442 8.879 1.00 0.00 C ATOM 61 C GLY A 5 93.300 -23.517 10.374 1.00 0.00 C ATOM 62 O GLY A 5 92.330 -23.186 11.025 1.00 0.00 O ATOM 0 H GLY A 5 95.132 -24.527 8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 5 92.929 -22.479 8.546 1.00 0.00 H new ATOM 0 HA3 GLY A 5 92.669 -24.210 8.456 1.00 0.00 H new ATOM 66 N ILE A 6 94.411 -23.919 10.886 1.00 0.00 N ATOM 67 CA ILE A 6 94.661 -24.034 12.338 1.00 0.00 C ATOM 68 C ILE A 6 93.495 -23.526 13.175 1.00 0.00 C ATOM 69 O ILE A 6 92.635 -24.270 13.602 1.00 0.00 O ATOM 70 CB ILE A 6 95.883 -23.157 12.604 1.00 0.00 C ATOM 71 CG1 ILE A 6 95.839 -21.912 11.657 1.00 0.00 C ATOM 72 CG2 ILE A 6 97.145 -23.974 12.360 1.00 0.00 C ATOM 73 CD1 ILE A 6 96.690 -22.120 10.408 1.00 0.00 C ATOM 0 H ILE A 6 95.212 -24.192 10.317 1.00 0.00 H new ATOM 0 HA ILE A 6 94.804 -25.079 12.612 1.00 0.00 H new ATOM 0 HB ILE A 6 95.882 -22.811 13.637 1.00 0.00 H new ATOM 0 HG12 ILE A 6 94.808 -21.713 11.365 1.00 0.00 H new ATOM 0 HG13 ILE A 6 96.193 -21.033 12.196 1.00 0.00 H new ATOM 0 HG21 ILE A 6 98.022 -23.354 12.548 1.00 0.00 H new ATOM 0 HG22 ILE A 6 97.158 -24.833 13.031 1.00 0.00 H new ATOM 0 HG23 ILE A 6 97.160 -24.320 11.327 1.00 0.00 H new ATOM 0 HD11 ILE A 6 96.633 -21.233 9.777 1.00 0.00 H new ATOM 0 HD12 ILE A 6 97.726 -22.292 10.698 1.00 0.00 H new ATOM 0 HD13 ILE A 6 96.320 -22.983 9.855 1.00 0.00 H new ATOM 85 N ARG A 7 93.489 -22.256 13.419 1.00 0.00 N ATOM 86 CA ARG A 7 92.408 -21.673 14.240 1.00 0.00 C ATOM 87 C ARG A 7 92.387 -20.150 14.131 1.00 0.00 C ATOM 88 O ARG A 7 91.971 -19.592 13.135 1.00 0.00 O ATOM 89 CB ARG A 7 92.628 -22.057 15.698 1.00 0.00 C ATOM 90 CG ARG A 7 94.071 -21.699 16.148 1.00 0.00 C ATOM 91 CD ARG A 7 94.925 -22.963 16.278 1.00 0.00 C ATOM 92 NE ARG A 7 96.368 -22.594 16.213 1.00 0.00 N ATOM 93 CZ ARG A 7 97.271 -23.360 16.765 1.00 0.00 C ATOM 94 NH1 ARG A 7 98.531 -23.026 16.706 1.00 0.00 N ATOM 95 NH2 ARG A 7 96.916 -24.461 17.371 1.00 0.00 N ATOM 0 H ARG A 7 94.189 -21.593 13.084 1.00 0.00 H new ATOM 0 HA ARG A 7 91.456 -22.060 13.876 1.00 0.00 H new ATOM 0 HB2 ARG A 7 91.906 -21.539 16.329 1.00 0.00 H new ATOM 0 HB3 ARG A 7 92.456 -23.125 15.828 1.00 0.00 H new ATOM 0 HG2 ARG A 7 94.525 -21.020 15.426 1.00 0.00 H new ATOM 0 HG3 ARG A 7 94.040 -21.175 17.103 1.00 0.00 H new ATOM 0 HD2 ARG A 7 94.709 -23.466 17.221 1.00 0.00 H new ATOM 0 HD3 ARG A 7 94.681 -23.664 15.480 1.00 0.00 H new ATOM 0 HE ARG A 7 96.652 -21.739 15.735 1.00 0.00 H new ATOM 0 HH11 ARG A 7 98.809 -22.168 16.230 1.00 0.00 H new ATOM 0 HH12 ARG A 7 99.237 -23.623 17.136 1.00 0.00 H new ATOM 0 HH21 ARG A 7 95.932 -24.725 17.414 1.00 0.00 H new ATOM 0 HH22 ARG A 7 97.623 -25.057 17.801 1.00 0.00 H new ATOM 109 N MET A 8 92.780 -19.468 15.181 1.00 0.00 N ATOM 110 CA MET A 8 92.722 -17.976 15.168 1.00 0.00 C ATOM 111 C MET A 8 93.767 -17.354 16.140 1.00 0.00 C ATOM 112 O MET A 8 94.646 -16.650 15.690 1.00 0.00 O ATOM 113 CB MET A 8 91.273 -17.525 15.506 1.00 0.00 C ATOM 114 CG MET A 8 90.409 -18.749 15.899 1.00 0.00 C ATOM 115 SD MET A 8 88.888 -18.190 16.709 1.00 0.00 S ATOM 116 CE MET A 8 87.815 -18.225 15.250 1.00 0.00 C ATOM 0 H MET A 8 93.137 -19.881 16.043 1.00 0.00 H new ATOM 0 HA MET A 8 92.982 -17.614 14.173 1.00 0.00 H new ATOM 0 HB2 MET A 8 91.290 -16.805 16.324 1.00 0.00 H new ATOM 0 HB3 MET A 8 90.832 -17.020 14.647 1.00 0.00 H new ATOM 0 HG2 MET A 8 90.166 -19.334 15.012 1.00 0.00 H new ATOM 0 HG3 MET A 8 90.970 -19.402 16.568 1.00 0.00 H new ATOM 0 HE1 MET A 8 86.783 -18.048 15.553 1.00 0.00 H new ATOM 0 HE2 MET A 8 88.126 -17.449 14.551 1.00 0.00 H new ATOM 0 HE3 MET A 8 87.890 -19.199 14.767 1.00 0.00 H new ATOM 126 N PRO A 9 93.711 -17.581 17.449 1.00 0.00 N ATOM 127 CA PRO A 9 94.714 -16.988 18.383 1.00 0.00 C ATOM 128 C PRO A 9 96.115 -17.096 17.814 1.00 0.00 C ATOM 129 O PRO A 9 96.900 -16.169 17.839 1.00 0.00 O ATOM 130 CB PRO A 9 94.576 -17.849 19.635 1.00 0.00 C ATOM 131 CG PRO A 9 93.139 -18.204 19.658 1.00 0.00 C ATOM 132 CD PRO A 9 92.736 -18.400 18.193 1.00 0.00 C ATOM 0 HA PRO A 9 94.547 -15.927 18.568 1.00 0.00 H new ATOM 0 HB2 PRO A 9 95.207 -18.736 19.583 1.00 0.00 H new ATOM 0 HB3 PRO A 9 94.868 -17.302 20.532 1.00 0.00 H new ATOM 0 HG2 PRO A 9 92.970 -19.113 20.235 1.00 0.00 H new ATOM 0 HG3 PRO A 9 92.548 -17.415 20.124 1.00 0.00 H new ATOM 0 HD2 PRO A 9 92.788 -19.449 17.900 1.00 0.00 H new ATOM 0 HD3 PRO A 9 91.714 -18.069 18.011 1.00 0.00 H new ATOM 140 N ASP A 10 96.411 -18.241 17.289 1.00 0.00 N ATOM 141 CA ASP A 10 97.751 -18.486 16.680 1.00 0.00 C ATOM 142 C ASP A 10 97.601 -18.442 15.167 1.00 0.00 C ATOM 143 O ASP A 10 98.549 -18.237 14.435 1.00 0.00 O ATOM 144 CB ASP A 10 98.259 -19.867 17.108 1.00 0.00 C ATOM 145 CG ASP A 10 99.772 -19.954 16.893 1.00 0.00 C ATOM 146 OD1 ASP A 10 100.486 -20.042 17.879 1.00 0.00 O ATOM 147 OD2 ASP A 10 100.190 -19.930 15.747 1.00 0.00 O ATOM 0 H ASP A 10 95.774 -19.037 17.252 1.00 0.00 H new ATOM 0 HA ASP A 10 98.463 -17.729 17.009 1.00 0.00 H new ATOM 0 HB2 ASP A 10 98.021 -20.043 18.157 1.00 0.00 H new ATOM 0 HB3 ASP A 10 97.756 -20.644 16.533 1.00 0.00 H new ATOM 152 N GLY A 11 96.403 -18.636 14.699 1.00 0.00 N ATOM 153 CA GLY A 11 96.157 -18.613 13.236 1.00 0.00 C ATOM 154 C GLY A 11 95.964 -17.173 12.773 1.00 0.00 C ATOM 155 O GLY A 11 95.860 -16.894 11.596 1.00 0.00 O ATOM 0 H GLY A 11 95.578 -18.811 15.273 1.00 0.00 H new ATOM 0 HA2 GLY A 11 96.997 -19.066 12.709 1.00 0.00 H new ATOM 0 HA3 GLY A 11 95.273 -19.204 12.996 1.00 0.00 H new ATOM 159 N CYS A 12 95.910 -16.259 13.695 1.00 0.00 N ATOM 160 CA CYS A 12 95.715 -14.834 13.318 1.00 0.00 C ATOM 161 C CYS A 12 95.959 -13.930 14.531 1.00 0.00 C ATOM 162 O CYS A 12 96.953 -13.235 14.608 1.00 0.00 O ATOM 163 CB CYS A 12 94.283 -14.645 12.828 1.00 0.00 C ATOM 164 SG CYS A 12 93.918 -12.876 12.687 1.00 0.00 S ATOM 0 H CYS A 12 95.993 -16.436 14.696 1.00 0.00 H new ATOM 0 HA CYS A 12 96.420 -14.568 12.531 1.00 0.00 H new ATOM 0 HB2 CYS A 12 94.151 -15.132 11.862 1.00 0.00 H new ATOM 0 HB3 CYS A 12 93.586 -15.117 13.520 1.00 0.00 H new ATOM 0 HG CYS A 12 93.550 -12.604 11.470 1.00 0.00 H new ATOM 170 N TYR A 13 95.054 -13.924 15.472 1.00 0.00 N ATOM 171 CA TYR A 13 95.232 -13.052 16.668 1.00 0.00 C ATOM 172 C TYR A 13 94.269 -13.491 17.771 1.00 0.00 C ATOM 173 O TYR A 13 94.648 -13.657 18.914 1.00 0.00 O ATOM 174 CB TYR A 13 94.934 -11.598 16.276 1.00 0.00 C ATOM 175 CG TYR A 13 95.555 -10.655 17.284 1.00 0.00 C ATOM 176 CD1 TYR A 13 94.961 -10.484 18.540 1.00 0.00 C ATOM 177 CD2 TYR A 13 96.724 -9.953 16.961 1.00 0.00 C ATOM 178 CE1 TYR A 13 95.536 -9.612 19.473 1.00 0.00 C ATOM 179 CE2 TYR A 13 97.298 -9.082 17.894 1.00 0.00 C ATOM 180 CZ TYR A 13 96.704 -8.911 19.150 1.00 0.00 C ATOM 181 OH TYR A 13 97.271 -8.052 20.070 1.00 0.00 O ATOM 0 H TYR A 13 94.201 -14.484 15.464 1.00 0.00 H new ATOM 0 HA TYR A 13 96.256 -13.133 17.033 1.00 0.00 H new ATOM 0 HB2 TYR A 13 95.329 -11.392 15.281 1.00 0.00 H new ATOM 0 HB3 TYR A 13 93.857 -11.438 16.231 1.00 0.00 H new ATOM 0 HD1 TYR A 13 94.060 -11.024 18.789 1.00 0.00 H new ATOM 0 HD2 TYR A 13 97.182 -10.084 15.992 1.00 0.00 H new ATOM 0 HE1 TYR A 13 95.078 -9.480 20.442 1.00 0.00 H new ATOM 0 HE2 TYR A 13 98.199 -8.542 17.645 1.00 0.00 H new ATOM 0 HH TYR A 13 98.077 -7.647 19.686 1.00 0.00 H new ATOM 191 N ALA A 14 93.024 -13.674 17.436 1.00 0.00 N ATOM 192 CA ALA A 14 92.028 -14.099 18.461 1.00 0.00 C ATOM 193 C ALA A 14 90.794 -14.669 17.771 1.00 0.00 C ATOM 194 O ALA A 14 90.284 -15.705 18.148 1.00 0.00 O ATOM 195 CB ALA A 14 91.627 -12.895 19.316 1.00 0.00 C ATOM 0 H ALA A 14 92.651 -13.548 16.495 1.00 0.00 H new ATOM 0 HA ALA A 14 92.471 -14.864 19.098 1.00 0.00 H new ATOM 0 HB1 ALA A 14 90.899 -13.207 20.065 1.00 0.00 H new ATOM 0 HB2 ALA A 14 92.509 -12.492 19.813 1.00 0.00 H new ATOM 0 HB3 ALA A 14 91.187 -12.127 18.680 1.00 0.00 H new ATOM 201 N ASP A 15 90.305 -14.002 16.765 1.00 0.00 N ATOM 202 CA ASP A 15 89.096 -14.509 16.053 1.00 0.00 C ATOM 203 C ASP A 15 89.135 -14.079 14.585 1.00 0.00 C ATOM 204 O ASP A 15 88.196 -14.291 13.843 1.00 0.00 O ATOM 205 CB ASP A 15 87.848 -13.927 16.713 1.00 0.00 C ATOM 206 CG ASP A 15 86.610 -14.683 16.226 1.00 0.00 C ATOM 207 OD1 ASP A 15 85.519 -14.316 16.630 1.00 0.00 O ATOM 208 OD2 ASP A 15 86.774 -15.615 15.457 1.00 0.00 O ATOM 0 H ASP A 15 90.688 -13.128 16.404 1.00 0.00 H new ATOM 0 HA ASP A 15 89.076 -15.597 16.107 1.00 0.00 H new ATOM 0 HB2 ASP A 15 87.929 -14.002 17.797 1.00 0.00 H new ATOM 0 HB3 ASP A 15 87.758 -12.868 16.473 1.00 0.00 H new ATOM 213 N GLY A 16 90.210 -13.468 14.165 1.00 0.00 N ATOM 214 CA GLY A 16 90.325 -13.003 12.747 1.00 0.00 C ATOM 215 C GLY A 16 90.184 -11.485 12.717 1.00 0.00 C ATOM 216 O GLY A 16 89.820 -10.905 11.718 1.00 0.00 O ATOM 0 H GLY A 16 91.023 -13.268 14.748 1.00 0.00 H new ATOM 0 HA2 GLY A 16 91.286 -13.301 12.328 1.00 0.00 H new ATOM 0 HA3 GLY A 16 89.552 -13.466 12.134 1.00 0.00 H new ATOM 220 N THR A 17 90.461 -10.838 13.812 1.00 0.00 N ATOM 221 CA THR A 17 90.336 -9.365 13.857 1.00 0.00 C ATOM 222 C THR A 17 91.567 -8.729 13.216 1.00 0.00 C ATOM 223 O THR A 17 92.694 -9.056 13.533 1.00 0.00 O ATOM 224 CB THR A 17 90.225 -8.917 15.313 1.00 0.00 C ATOM 225 OG1 THR A 17 91.312 -9.451 16.055 1.00 0.00 O ATOM 226 CG2 THR A 17 88.907 -9.419 15.903 1.00 0.00 C ATOM 0 H THR A 17 90.770 -11.273 14.681 1.00 0.00 H new ATOM 0 HA THR A 17 89.446 -9.054 13.310 1.00 0.00 H new ATOM 0 HB THR A 17 90.251 -7.828 15.362 1.00 0.00 H new ATOM 0 HG1 THR A 17 92.084 -9.573 15.463 1.00 0.00 H new ATOM 0 HG21 THR A 17 88.828 -9.099 16.942 1.00 0.00 H new ATOM 0 HG22 THR A 17 88.073 -9.009 15.333 1.00 0.00 H new ATOM 0 HG23 THR A 17 88.878 -10.508 15.855 1.00 0.00 H new ATOM 234 N TRP A 18 91.347 -7.820 12.318 1.00 0.00 N ATOM 235 CA TRP A 18 92.468 -7.129 11.628 1.00 0.00 C ATOM 236 C TRP A 18 92.023 -5.703 11.279 1.00 0.00 C ATOM 237 O TRP A 18 91.003 -5.498 10.653 1.00 0.00 O ATOM 238 CB TRP A 18 92.851 -7.902 10.348 1.00 0.00 C ATOM 239 CG TRP A 18 91.725 -8.766 9.864 1.00 0.00 C ATOM 240 CD1 TRP A 18 90.527 -8.321 9.418 1.00 0.00 C ATOM 241 CD2 TRP A 18 91.691 -10.219 9.744 1.00 0.00 C ATOM 242 NE1 TRP A 18 89.759 -9.411 9.038 1.00 0.00 N ATOM 243 CE2 TRP A 18 90.433 -10.600 9.223 1.00 0.00 C ATOM 244 CE3 TRP A 18 92.621 -11.232 10.040 1.00 0.00 C ATOM 245 CZ2 TRP A 18 90.108 -11.939 9.001 1.00 0.00 C ATOM 246 CZ3 TRP A 18 92.297 -12.581 9.818 1.00 0.00 C ATOM 247 CH2 TRP A 18 91.043 -12.933 9.299 1.00 0.00 C ATOM 0 H TRP A 18 90.418 -7.518 12.025 1.00 0.00 H new ATOM 0 HA TRP A 18 93.342 -7.089 12.279 1.00 0.00 H new ATOM 0 HB2 TRP A 18 93.130 -7.196 9.566 1.00 0.00 H new ATOM 0 HB3 TRP A 18 93.726 -8.521 10.545 1.00 0.00 H new ATOM 0 HD1 TRP A 18 90.220 -7.287 9.367 1.00 0.00 H new ATOM 0 HE1 TRP A 18 88.811 -9.342 8.667 1.00 0.00 H new ATOM 0 HE3 TRP A 18 93.590 -10.971 10.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 89.140 -12.205 8.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 93.018 -13.351 10.048 1.00 0.00 H new ATOM 0 HH2 TRP A 18 90.800 -13.972 9.130 1.00 0.00 H new ATOM 258 N GLU A 19 92.776 -4.712 11.683 1.00 0.00 N ATOM 259 CA GLU A 19 92.376 -3.306 11.371 1.00 0.00 C ATOM 260 C GLU A 19 92.789 -2.954 9.954 1.00 0.00 C ATOM 261 O GLU A 19 93.916 -3.146 9.542 1.00 0.00 O ATOM 262 CB GLU A 19 93.003 -2.309 12.379 1.00 0.00 C ATOM 263 CG GLU A 19 94.126 -2.987 13.152 1.00 0.00 C ATOM 264 CD GLU A 19 95.160 -3.549 12.175 1.00 0.00 C ATOM 265 OE1 GLU A 19 95.599 -2.805 11.314 1.00 0.00 O ATOM 266 OE2 GLU A 19 95.496 -4.715 12.306 1.00 0.00 O ATOM 0 H GLU A 19 93.643 -4.813 12.211 1.00 0.00 H new ATOM 0 HA GLU A 19 91.292 -3.231 11.457 1.00 0.00 H new ATOM 0 HB2 GLU A 19 93.389 -1.438 11.849 1.00 0.00 H new ATOM 0 HB3 GLU A 19 92.240 -1.950 13.070 1.00 0.00 H new ATOM 0 HG2 GLU A 19 94.599 -2.273 13.826 1.00 0.00 H new ATOM 0 HG3 GLU A 19 93.722 -3.789 13.770 1.00 0.00 H new ATOM 273 N LEU A 20 91.864 -2.423 9.215 1.00 0.00 N ATOM 274 CA LEU A 20 92.152 -2.025 7.822 1.00 0.00 C ATOM 275 C LEU A 20 92.766 -0.625 7.861 1.00 0.00 C ATOM 276 O LEU A 20 92.268 0.254 8.532 1.00 0.00 O ATOM 277 CB LEU A 20 90.818 -2.021 7.032 1.00 0.00 C ATOM 278 CG LEU A 20 90.963 -2.735 5.677 1.00 0.00 C ATOM 279 CD1 LEU A 20 92.231 -2.266 4.946 1.00 0.00 C ATOM 280 CD2 LEU A 20 90.995 -4.264 5.889 1.00 0.00 C ATOM 0 H LEU A 20 90.908 -2.246 9.524 1.00 0.00 H new ATOM 0 HA LEU A 20 92.845 -2.712 7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 20 90.043 -2.511 7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 20 90.493 -0.993 6.870 1.00 0.00 H new ATOM 0 HG LEU A 20 90.103 -2.482 5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 20 92.313 -2.784 3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 20 92.174 -1.191 4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 20 93.106 -2.489 5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 20 91.098 -4.763 4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 20 91.841 -4.526 6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 20 90.069 -4.585 6.367 1.00 0.00 H new ATOM 292 N SER A 21 93.837 -0.406 7.159 1.00 0.00 N ATOM 293 CA SER A 21 94.459 0.944 7.186 1.00 0.00 C ATOM 294 C SER A 21 93.644 1.871 6.299 1.00 0.00 C ATOM 295 O SER A 21 93.149 1.473 5.262 1.00 0.00 O ATOM 296 CB SER A 21 95.904 0.860 6.677 1.00 0.00 C ATOM 297 OG SER A 21 96.728 1.707 7.468 1.00 0.00 O ATOM 0 H SER A 21 94.307 -1.095 6.572 1.00 0.00 H new ATOM 0 HA SER A 21 94.473 1.329 8.205 1.00 0.00 H new ATOM 0 HB2 SER A 21 96.262 -0.168 6.730 1.00 0.00 H new ATOM 0 HB3 SER A 21 95.952 1.160 5.630 1.00 0.00 H new ATOM 0 HG SER A 21 97.653 1.656 7.148 1.00 0.00 H new ATOM 303 N VAL A 22 93.496 3.105 6.701 1.00 0.00 N ATOM 304 CA VAL A 22 92.706 4.067 5.881 1.00 0.00 C ATOM 305 C VAL A 22 93.433 5.404 5.802 1.00 0.00 C ATOM 306 O VAL A 22 93.522 6.145 6.760 1.00 0.00 O ATOM 307 CB VAL A 22 91.303 4.232 6.486 1.00 0.00 C ATOM 308 CG1 VAL A 22 90.607 5.478 5.930 1.00 0.00 C ATOM 309 CG2 VAL A 22 90.467 3.009 6.112 1.00 0.00 C ATOM 0 H VAL A 22 93.888 3.488 7.561 1.00 0.00 H new ATOM 0 HA VAL A 22 92.599 3.681 4.867 1.00 0.00 H new ATOM 0 HB VAL A 22 91.399 4.334 7.567 1.00 0.00 H new ATOM 0 HG11 VAL A 22 89.616 5.570 6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 22 91.197 6.362 6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 22 90.512 5.389 4.848 1.00 0.00 H new ATOM 0 HG21 VAL A 22 89.467 3.109 6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 22 90.397 2.934 5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 22 90.939 2.110 6.508 1.00 0.00 H new ATOM 319 N HIS A 23 93.935 5.709 4.643 1.00 0.00 N ATOM 320 CA HIS A 23 94.648 6.990 4.436 1.00 0.00 C ATOM 321 C HIS A 23 93.623 8.065 4.100 1.00 0.00 C ATOM 322 O HIS A 23 93.126 8.127 2.993 1.00 0.00 O ATOM 323 CB HIS A 23 95.607 6.815 3.259 1.00 0.00 C ATOM 324 CG HIS A 23 96.842 6.084 3.710 1.00 0.00 C ATOM 325 ND1 HIS A 23 98.118 6.492 3.352 1.00 0.00 N ATOM 326 CD2 HIS A 23 97.012 4.965 4.488 1.00 0.00 C ATOM 327 CE1 HIS A 23 98.990 5.631 3.908 1.00 0.00 C ATOM 328 NE2 HIS A 23 98.369 4.681 4.611 1.00 0.00 N ATOM 0 H HIS A 23 93.879 5.113 3.817 1.00 0.00 H new ATOM 0 HA HIS A 23 95.202 7.278 5.330 1.00 0.00 H new ATOM 0 HB2 HIS A 23 95.117 6.260 2.459 1.00 0.00 H new ATOM 0 HB3 HIS A 23 95.878 7.789 2.852 1.00 0.00 H new ATOM 0 HD2 HIS A 23 96.214 4.392 4.936 1.00 0.00 H new ATOM 0 HE1 HIS A 23 100.062 5.700 3.799 1.00 0.00 H new ATOM 0 HE2 HIS A 23 98.797 3.912 5.127 1.00 0.00 H new ATOM 336 N VAL A 24 93.300 8.922 5.027 1.00 0.00 N ATOM 337 CA VAL A 24 92.310 9.978 4.705 1.00 0.00 C ATOM 338 C VAL A 24 92.989 10.989 3.783 1.00 0.00 C ATOM 339 O VAL A 24 93.875 11.707 4.190 1.00 0.00 O ATOM 340 CB VAL A 24 91.834 10.655 5.998 1.00 0.00 C ATOM 341 CG1 VAL A 24 90.437 11.241 5.786 1.00 0.00 C ATOM 342 CG2 VAL A 24 91.773 9.614 7.117 1.00 0.00 C ATOM 0 H VAL A 24 93.672 8.936 5.976 1.00 0.00 H new ATOM 0 HA VAL A 24 91.437 9.553 4.209 1.00 0.00 H new ATOM 0 HB VAL A 24 92.528 11.452 6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 24 90.101 11.721 6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 24 90.469 11.977 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 24 89.744 10.443 5.519 1.00 0.00 H new ATOM 0 HG21 VAL A 24 91.435 10.089 8.038 1.00 0.00 H new ATOM 0 HG22 VAL A 24 91.076 8.823 6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 24 92.764 9.187 7.271 1.00 0.00 H new ATOM 352 N THR A 25 92.602 11.034 2.539 1.00 0.00 N ATOM 353 CA THR A 25 93.253 11.987 1.594 1.00 0.00 C ATOM 354 C THR A 25 92.656 13.385 1.782 1.00 0.00 C ATOM 355 O THR A 25 93.357 14.377 1.743 1.00 0.00 O ATOM 356 CB THR A 25 93.037 11.516 0.146 1.00 0.00 C ATOM 357 OG1 THR A 25 91.886 12.148 -0.392 1.00 0.00 O ATOM 358 CG2 THR A 25 92.852 9.994 0.113 1.00 0.00 C ATOM 0 H THR A 25 91.866 10.455 2.136 1.00 0.00 H new ATOM 0 HA THR A 25 94.323 12.023 1.799 1.00 0.00 H new ATOM 0 HB THR A 25 93.910 11.782 -0.451 1.00 0.00 H new ATOM 0 HG1 THR A 25 91.750 11.849 -1.315 1.00 0.00 H new ATOM 0 HG21 THR A 25 92.700 9.668 -0.916 1.00 0.00 H new ATOM 0 HG22 THR A 25 93.741 9.511 0.519 1.00 0.00 H new ATOM 0 HG23 THR A 25 91.984 9.720 0.713 1.00 0.00 H new ATOM 366 N ASP A 26 91.372 13.474 1.994 1.00 0.00 N ATOM 367 CA ASP A 26 90.747 14.812 2.192 1.00 0.00 C ATOM 368 C ASP A 26 91.243 15.400 3.517 1.00 0.00 C ATOM 369 O ASP A 26 90.829 16.463 3.934 1.00 0.00 O ATOM 370 CB ASP A 26 89.220 14.664 2.227 1.00 0.00 C ATOM 371 CG ASP A 26 88.561 16.023 1.968 1.00 0.00 C ATOM 372 OD1 ASP A 26 88.912 16.970 2.650 1.00 0.00 O ATOM 373 OD2 ASP A 26 87.715 16.091 1.091 1.00 0.00 O ATOM 0 H ASP A 26 90.731 12.682 2.039 1.00 0.00 H new ATOM 0 HA ASP A 26 91.021 15.476 1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 26 88.898 13.944 1.475 1.00 0.00 H new ATOM 0 HB3 ASP A 26 88.905 14.275 3.196 1.00 0.00 H new ATOM 378 N LEU A 27 92.129 14.704 4.181 1.00 0.00 N ATOM 379 CA LEU A 27 92.668 15.196 5.489 1.00 0.00 C ATOM 380 C LEU A 27 94.174 14.907 5.552 1.00 0.00 C ATOM 381 O LEU A 27 94.915 15.606 6.208 1.00 0.00 O ATOM 382 CB LEU A 27 91.938 14.456 6.633 1.00 0.00 C ATOM 383 CG LEU A 27 90.892 15.370 7.297 1.00 0.00 C ATOM 384 CD1 LEU A 27 89.912 14.513 8.102 1.00 0.00 C ATOM 385 CD2 LEU A 27 91.582 16.366 8.239 1.00 0.00 C ATOM 0 H LEU A 27 92.507 13.808 3.872 1.00 0.00 H new ATOM 0 HA LEU A 27 92.507 16.269 5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 27 91.451 13.563 6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 27 92.662 14.124 7.377 1.00 0.00 H new ATOM 0 HG LEU A 27 90.358 15.921 6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 27 89.169 15.156 8.574 1.00 0.00 H new ATOM 0 HD12 LEU A 27 89.412 13.809 7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 27 90.456 13.962 8.870 1.00 0.00 H new ATOM 0 HD21 LEU A 27 90.832 17.007 8.703 1.00 0.00 H new ATOM 0 HD22 LEU A 27 92.122 15.821 9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 27 92.282 16.979 7.671 1.00 0.00 H new ATOM 397 N ASN A 28 94.609 13.875 4.875 1.00 0.00 N ATOM 398 CA ASN A 28 96.057 13.492 4.862 1.00 0.00 C ATOM 399 C ASN A 28 96.402 12.667 6.102 1.00 0.00 C ATOM 400 O ASN A 28 97.561 12.453 6.401 1.00 0.00 O ATOM 401 CB ASN A 28 96.956 14.738 4.818 1.00 0.00 C ATOM 402 CG ASN A 28 98.327 14.349 4.274 1.00 0.00 C ATOM 403 OD1 ASN A 28 99.062 15.178 3.775 1.00 0.00 O ATOM 404 ND2 ASN A 28 98.695 13.106 4.356 1.00 0.00 N ATOM 0 H ASN A 28 94.009 13.267 4.318 1.00 0.00 H new ATOM 0 HA ASN A 28 96.234 12.896 3.967 1.00 0.00 H new ATOM 0 HB2 ASN A 28 96.505 15.504 4.187 1.00 0.00 H new ATOM 0 HB3 ASN A 28 97.055 15.165 5.816 1.00 0.00 H new ATOM 0 HD21 ASN A 28 99.607 12.820 4.000 1.00 0.00 H new ATOM 0 HD22 ASN A 28 98.072 12.416 4.776 1.00 0.00 H new ATOM 411 N ARG A 29 95.424 12.196 6.830 1.00 0.00 N ATOM 412 CA ARG A 29 95.722 11.392 8.037 1.00 0.00 C ATOM 413 C ARG A 29 95.692 9.916 7.689 1.00 0.00 C ATOM 414 O ARG A 29 95.460 9.521 6.564 1.00 0.00 O ATOM 415 CB ARG A 29 94.669 11.648 9.099 1.00 0.00 C ATOM 416 CG ARG A 29 94.692 13.121 9.492 1.00 0.00 C ATOM 417 CD ARG A 29 93.543 13.412 10.460 1.00 0.00 C ATOM 418 NE ARG A 29 93.946 13.027 11.847 1.00 0.00 N ATOM 419 CZ ARG A 29 93.689 11.829 12.314 1.00 0.00 C ATOM 420 NH1 ARG A 29 94.039 11.521 13.532 1.00 0.00 N ATOM 421 NH2 ARG A 29 93.089 10.940 11.567 1.00 0.00 N ATOM 0 H ARG A 29 94.433 12.337 6.635 1.00 0.00 H new ATOM 0 HA ARG A 29 96.707 11.673 8.408 1.00 0.00 H new ATOM 0 HB2 ARG A 29 93.683 11.376 8.722 1.00 0.00 H new ATOM 0 HB3 ARG A 29 94.859 11.024 9.973 1.00 0.00 H new ATOM 0 HG2 ARG A 29 95.645 13.368 9.959 1.00 0.00 H new ATOM 0 HG3 ARG A 29 94.600 13.746 8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 29 93.285 14.470 10.426 1.00 0.00 H new ATOM 0 HD3 ARG A 29 92.653 12.857 10.162 1.00 0.00 H new ATOM 0 HE ARG A 29 94.427 13.705 12.438 1.00 0.00 H new ATOM 0 HH11 ARG A 29 94.511 12.211 14.117 1.00 0.00 H new ATOM 0 HH12 ARG A 29 93.841 10.590 13.900 1.00 0.00 H new ATOM 0 HH21 ARG A 29 92.817 11.176 10.613 1.00 0.00 H new ATOM 0 HH22 ARG A 29 92.893 10.010 11.938 1.00 0.00 H new ATOM 435 N ASP A 30 95.904 9.103 8.673 1.00 0.00 N ATOM 436 CA ASP A 30 95.873 7.631 8.476 1.00 0.00 C ATOM 437 C ASP A 30 95.147 7.015 9.654 1.00 0.00 C ATOM 438 O ASP A 30 95.586 7.109 10.783 1.00 0.00 O ATOM 439 CB ASP A 30 97.289 7.070 8.410 1.00 0.00 C ATOM 440 CG ASP A 30 97.947 7.474 7.090 1.00 0.00 C ATOM 441 OD1 ASP A 30 98.961 8.150 7.138 1.00 0.00 O ATOM 442 OD2 ASP A 30 97.426 7.098 6.053 1.00 0.00 O ATOM 0 H ASP A 30 96.102 9.400 9.629 1.00 0.00 H new ATOM 0 HA ASP A 30 95.365 7.398 7.540 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.877 7.443 9.249 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.264 5.984 8.496 1.00 0.00 H new ATOM 447 N VAL A 31 94.027 6.400 9.400 1.00 0.00 N ATOM 448 CA VAL A 31 93.234 5.783 10.503 1.00 0.00 C ATOM 449 C VAL A 31 93.143 4.276 10.304 1.00 0.00 C ATOM 450 O VAL A 31 93.291 3.767 9.211 1.00 0.00 O ATOM 451 CB VAL A 31 91.832 6.379 10.496 1.00 0.00 C ATOM 452 CG1 VAL A 31 91.091 5.928 11.755 1.00 0.00 C ATOM 453 CG2 VAL A 31 91.927 7.911 10.471 1.00 0.00 C ATOM 0 H VAL A 31 93.622 6.297 8.469 1.00 0.00 H new ATOM 0 HA VAL A 31 93.723 5.984 11.456 1.00 0.00 H new ATOM 0 HB VAL A 31 91.291 6.040 9.613 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.086 6.351 11.757 1.00 0.00 H new ATOM 0 HG12 VAL A 31 91.027 4.840 11.769 1.00 0.00 H new ATOM 0 HG13 VAL A 31 91.631 6.271 12.638 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.924 8.338 10.466 1.00 0.00 H new ATOM 0 HG22 VAL A 31 92.464 8.257 11.354 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.461 8.228 9.575 1.00 0.00 H new ATOM 463 N THR A 32 92.891 3.564 11.369 1.00 0.00 N ATOM 464 CA THR A 32 92.770 2.077 11.294 1.00 0.00 C ATOM 465 C THR A 32 91.511 1.668 12.069 1.00 0.00 C ATOM 466 O THR A 32 91.299 2.082 13.191 1.00 0.00 O ATOM 467 CB THR A 32 94.024 1.428 11.930 1.00 0.00 C ATOM 468 OG1 THR A 32 94.857 2.452 12.454 1.00 0.00 O ATOM 469 CG2 THR A 32 94.821 0.619 10.894 1.00 0.00 C ATOM 0 H THR A 32 92.762 3.955 12.302 1.00 0.00 H new ATOM 0 HA THR A 32 92.695 1.745 10.258 1.00 0.00 H new ATOM 0 HB THR A 32 93.698 0.751 12.720 1.00 0.00 H new ATOM 0 HG1 THR A 32 95.653 2.050 12.860 1.00 0.00 H new ATOM 0 HG21 THR A 32 95.695 0.176 11.372 1.00 0.00 H new ATOM 0 HG22 THR A 32 94.191 -0.172 10.487 1.00 0.00 H new ATOM 0 HG23 THR A 32 95.143 1.278 10.088 1.00 0.00 H new ATOM 477 N LEU A 33 90.681 0.866 11.466 1.00 0.00 N ATOM 478 CA LEU A 33 89.417 0.419 12.119 1.00 0.00 C ATOM 479 C LEU A 33 89.461 -1.093 12.312 1.00 0.00 C ATOM 480 O LEU A 33 89.465 -1.843 11.359 1.00 0.00 O ATOM 481 CB LEU A 33 88.250 0.775 11.179 1.00 0.00 C ATOM 482 CG LEU A 33 87.713 2.195 11.450 1.00 0.00 C ATOM 483 CD1 LEU A 33 86.833 2.207 12.704 1.00 0.00 C ATOM 484 CD2 LEU A 33 88.872 3.185 11.628 1.00 0.00 C ATOM 0 H LEU A 33 90.827 0.493 10.528 1.00 0.00 H new ATOM 0 HA LEU A 33 89.292 0.903 13.088 1.00 0.00 H new ATOM 0 HB2 LEU A 33 88.582 0.703 10.143 1.00 0.00 H new ATOM 0 HB3 LEU A 33 87.445 0.051 11.307 1.00 0.00 H new ATOM 0 HG LEU A 33 87.114 2.498 10.591 1.00 0.00 H new ATOM 0 HD11 LEU A 33 86.463 3.217 12.879 1.00 0.00 H new ATOM 0 HD12 LEU A 33 85.989 1.531 12.563 1.00 0.00 H new ATOM 0 HD13 LEU A 33 87.419 1.881 13.563 1.00 0.00 H new ATOM 0 HD21 LEU A 33 88.473 4.181 11.818 1.00 0.00 H new ATOM 0 HD22 LEU A 33 89.490 2.874 12.471 1.00 0.00 H new ATOM 0 HD23 LEU A 33 89.477 3.203 10.722 1.00 0.00 H new ATOM 496 N ARG A 34 89.457 -1.551 13.532 1.00 0.00 N ATOM 497 CA ARG A 34 89.466 -2.998 13.752 1.00 0.00 C ATOM 498 C ARG A 34 88.214 -3.553 13.132 1.00 0.00 C ATOM 499 O ARG A 34 87.143 -2.986 13.222 1.00 0.00 O ATOM 500 CB ARG A 34 89.526 -3.334 15.234 1.00 0.00 C ATOM 501 CG ARG A 34 89.697 -4.859 15.373 1.00 0.00 C ATOM 502 CD ARG A 34 88.356 -5.592 15.187 1.00 0.00 C ATOM 503 NE ARG A 34 88.145 -6.531 16.323 1.00 0.00 N ATOM 504 CZ ARG A 34 87.765 -6.074 17.485 1.00 0.00 C ATOM 505 NH1 ARG A 34 87.567 -6.898 18.478 1.00 0.00 N ATOM 506 NH2 ARG A 34 87.582 -4.793 17.653 1.00 0.00 N ATOM 0 H ARG A 34 89.448 -0.977 14.375 1.00 0.00 H new ATOM 0 HA ARG A 34 90.352 -3.440 13.296 1.00 0.00 H new ATOM 0 HB2 ARG A 34 90.357 -2.813 15.709 1.00 0.00 H new ATOM 0 HB3 ARG A 34 88.616 -3.006 15.736 1.00 0.00 H new ATOM 0 HG2 ARG A 34 90.414 -5.215 14.634 1.00 0.00 H new ATOM 0 HG3 ARG A 34 90.109 -5.093 16.355 1.00 0.00 H new ATOM 0 HD2 ARG A 34 87.539 -4.872 15.139 1.00 0.00 H new ATOM 0 HD3 ARG A 34 88.355 -6.138 14.244 1.00 0.00 H new ATOM 0 HE ARG A 34 88.297 -7.531 16.193 1.00 0.00 H new ATOM 0 HH11 ARG A 34 87.709 -7.899 18.346 1.00 0.00 H new ATOM 0 HH12 ARG A 34 87.270 -6.540 19.386 1.00 0.00 H new ATOM 0 HH21 ARG A 34 87.736 -4.150 16.877 1.00 0.00 H new ATOM 0 HH22 ARG A 34 87.285 -4.435 18.561 1.00 0.00 H new ATOM 520 N VAL A 35 88.357 -4.651 12.490 1.00 0.00 N ATOM 521 CA VAL A 35 87.200 -5.279 11.814 1.00 0.00 C ATOM 522 C VAL A 35 87.502 -6.744 11.564 1.00 0.00 C ATOM 523 O VAL A 35 88.482 -7.285 12.036 1.00 0.00 O ATOM 524 CB VAL A 35 86.974 -4.599 10.459 1.00 0.00 C ATOM 525 CG1 VAL A 35 86.402 -3.190 10.656 1.00 0.00 C ATOM 526 CG2 VAL A 35 88.310 -4.505 9.716 1.00 0.00 C ATOM 0 H VAL A 35 89.238 -5.157 12.397 1.00 0.00 H new ATOM 0 HA VAL A 35 86.315 -5.175 12.442 1.00 0.00 H new ATOM 0 HB VAL A 35 86.263 -5.189 9.880 1.00 0.00 H new ATOM 0 HG11 VAL A 35 86.247 -2.721 9.684 1.00 0.00 H new ATOM 0 HG12 VAL A 35 85.450 -3.254 11.184 1.00 0.00 H new ATOM 0 HG13 VAL A 35 87.101 -2.592 11.240 1.00 0.00 H new ATOM 0 HG21 VAL A 35 88.156 -4.022 8.751 1.00 0.00 H new ATOM 0 HG22 VAL A 35 89.014 -3.919 10.307 1.00 0.00 H new ATOM 0 HG23 VAL A 35 88.711 -5.506 9.561 1.00 0.00 H new ATOM 536 N THR A 36 86.672 -7.377 10.794 1.00 0.00 N ATOM 537 CA THR A 36 86.885 -8.802 10.458 1.00 0.00 C ATOM 538 C THR A 36 86.400 -8.996 9.025 1.00 0.00 C ATOM 539 O THR A 36 85.719 -8.155 8.478 1.00 0.00 O ATOM 540 CB THR A 36 86.081 -9.683 11.421 1.00 0.00 C ATOM 541 OG1 THR A 36 84.821 -9.082 11.670 1.00 0.00 O ATOM 542 CG2 THR A 36 86.832 -9.833 12.742 1.00 0.00 C ATOM 0 H THR A 36 85.841 -6.959 10.376 1.00 0.00 H new ATOM 0 HA THR A 36 87.935 -9.080 10.548 1.00 0.00 H new ATOM 0 HB THR A 36 85.942 -10.666 10.971 1.00 0.00 H new ATOM 0 HG1 THR A 36 84.306 -9.645 12.284 1.00 0.00 H new ATOM 0 HG21 THR A 36 86.254 -10.460 13.420 1.00 0.00 H new ATOM 0 HG22 THR A 36 87.802 -10.295 12.559 1.00 0.00 H new ATOM 0 HG23 THR A 36 86.977 -8.851 13.192 1.00 0.00 H new ATOM 550 N GLY A 37 86.741 -10.073 8.398 1.00 0.00 N ATOM 551 CA GLY A 37 86.283 -10.269 7.004 1.00 0.00 C ATOM 552 C GLY A 37 84.802 -10.620 7.018 1.00 0.00 C ATOM 553 O GLY A 37 84.349 -11.507 6.323 1.00 0.00 O ATOM 0 H GLY A 37 87.313 -10.824 8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 37 86.451 -9.363 6.421 1.00 0.00 H new ATOM 0 HA3 GLY A 37 86.855 -11.065 6.527 1.00 0.00 H new ATOM 557 N GLU A 38 84.042 -9.916 7.814 1.00 0.00 N ATOM 558 CA GLU A 38 82.584 -10.178 7.899 1.00 0.00 C ATOM 559 C GLU A 38 81.850 -8.847 8.099 1.00 0.00 C ATOM 560 O GLU A 38 80.648 -8.811 8.271 1.00 0.00 O ATOM 561 CB GLU A 38 82.302 -11.118 9.080 1.00 0.00 C ATOM 562 CG GLU A 38 82.322 -10.343 10.416 1.00 0.00 C ATOM 563 CD GLU A 38 80.915 -9.829 10.748 1.00 0.00 C ATOM 564 OE1 GLU A 38 80.784 -8.644 11.006 1.00 0.00 O ATOM 565 OE2 GLU A 38 79.995 -10.631 10.737 1.00 0.00 O ATOM 0 H GLU A 38 84.378 -9.163 8.414 1.00 0.00 H new ATOM 0 HA GLU A 38 82.235 -10.650 6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.332 -11.596 8.946 1.00 0.00 H new ATOM 0 HB3 GLU A 38 83.048 -11.912 9.104 1.00 0.00 H new ATOM 0 HG2 GLU A 38 82.679 -10.991 11.216 1.00 0.00 H new ATOM 0 HG3 GLU A 38 83.017 -9.506 10.350 1.00 0.00 H new ATOM 572 N VAL A 39 82.567 -7.745 8.080 1.00 0.00 N ATOM 573 CA VAL A 39 81.902 -6.425 8.275 1.00 0.00 C ATOM 574 C VAL A 39 81.468 -5.852 6.925 1.00 0.00 C ATOM 575 O VAL A 39 82.093 -6.070 5.914 1.00 0.00 O ATOM 576 CB VAL A 39 82.863 -5.446 8.968 1.00 0.00 C ATOM 577 CG1 VAL A 39 83.564 -6.164 10.120 1.00 0.00 C ATOM 578 CG2 VAL A 39 83.910 -4.903 7.979 1.00 0.00 C ATOM 0 H VAL A 39 83.576 -7.708 7.939 1.00 0.00 H new ATOM 0 HA VAL A 39 81.023 -6.566 8.903 1.00 0.00 H new ATOM 0 HB VAL A 39 82.288 -4.602 9.348 1.00 0.00 H new ATOM 0 HG11 VAL A 39 84.247 -5.475 10.616 1.00 0.00 H new ATOM 0 HG12 VAL A 39 82.821 -6.516 10.835 1.00 0.00 H new ATOM 0 HG13 VAL A 39 84.125 -7.014 9.731 1.00 0.00 H new ATOM 0 HG21 VAL A 39 84.576 -4.213 8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 39 84.490 -5.731 7.572 1.00 0.00 H new ATOM 0 HG23 VAL A 39 83.406 -4.380 7.167 1.00 0.00 H new ATOM 588 N HIS A 40 80.415 -5.097 6.905 1.00 0.00 N ATOM 589 CA HIS A 40 79.961 -4.488 5.618 1.00 0.00 C ATOM 590 C HIS A 40 80.739 -3.180 5.410 1.00 0.00 C ATOM 591 O HIS A 40 81.007 -2.456 6.348 1.00 0.00 O ATOM 592 CB HIS A 40 78.433 -4.216 5.666 1.00 0.00 C ATOM 593 CG HIS A 40 77.919 -4.389 7.071 1.00 0.00 C ATOM 594 ND1 HIS A 40 77.594 -5.633 7.588 1.00 0.00 N ATOM 595 CD2 HIS A 40 77.671 -3.488 8.077 1.00 0.00 C ATOM 596 CE1 HIS A 40 77.174 -5.449 8.853 1.00 0.00 C ATOM 597 NE2 HIS A 40 77.201 -4.160 9.202 1.00 0.00 N ATOM 0 H HIS A 40 79.844 -4.871 7.719 1.00 0.00 H new ATOM 0 HA HIS A 40 80.152 -5.168 4.787 1.00 0.00 H new ATOM 0 HB2 HIS A 40 78.225 -3.205 5.317 1.00 0.00 H new ATOM 0 HB3 HIS A 40 77.913 -4.899 4.994 1.00 0.00 H new ATOM 0 HD2 HIS A 40 77.818 -2.420 8.006 1.00 0.00 H new ATOM 0 HE1 HIS A 40 76.854 -6.247 9.507 1.00 0.00 H new ATOM 0 HE2 HIS A 40 76.935 -3.755 10.100 1.00 0.00 H new ATOM 605 N ILE A 41 81.107 -2.873 4.194 1.00 0.00 N ATOM 606 CA ILE A 41 81.868 -1.611 3.940 1.00 0.00 C ATOM 607 C ILE A 41 81.173 -0.459 4.655 1.00 0.00 C ATOM 608 O ILE A 41 81.763 0.250 5.447 1.00 0.00 O ATOM 609 CB ILE A 41 81.886 -1.320 2.443 1.00 0.00 C ATOM 610 CG1 ILE A 41 82.659 -2.418 1.719 1.00 0.00 C ATOM 611 CG2 ILE A 41 82.556 0.028 2.181 1.00 0.00 C ATOM 612 CD1 ILE A 41 82.408 -2.304 0.215 1.00 0.00 C ATOM 0 H ILE A 41 80.915 -3.439 3.367 1.00 0.00 H new ATOM 0 HA ILE A 41 82.889 -1.721 4.307 1.00 0.00 H new ATOM 0 HB ILE A 41 80.861 -1.289 2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 41 83.725 -2.328 1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 41 82.345 -3.398 2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 41 82.565 0.228 1.110 1.00 0.00 H new ATOM 0 HG22 ILE A 41 82.002 0.815 2.693 1.00 0.00 H new ATOM 0 HG23 ILE A 41 83.580 0.004 2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 41 82.959 -3.087 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 41 81.342 -2.415 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 41 82.744 -1.329 -0.137 1.00 0.00 H new ATOM 624 N GLY A 42 79.915 -0.278 4.383 1.00 0.00 N ATOM 625 CA GLY A 42 79.162 0.817 5.044 1.00 0.00 C ATOM 626 C GLY A 42 79.304 0.651 6.548 1.00 0.00 C ATOM 627 O GLY A 42 79.069 1.562 7.317 1.00 0.00 O ATOM 0 H GLY A 42 79.374 -0.843 3.729 1.00 0.00 H new ATOM 0 HA2 GLY A 42 79.548 1.787 4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 42 78.111 0.784 4.755 1.00 0.00 H new ATOM 631 N GLY A 43 79.707 -0.512 6.966 1.00 0.00 N ATOM 632 CA GLY A 43 79.893 -0.759 8.420 1.00 0.00 C ATOM 633 C GLY A 43 81.118 0.024 8.887 1.00 0.00 C ATOM 634 O GLY A 43 81.211 0.458 10.019 1.00 0.00 O ATOM 0 H GLY A 43 79.917 -1.306 6.361 1.00 0.00 H new ATOM 0 HA2 GLY A 43 79.008 -0.446 8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 43 80.028 -1.824 8.610 1.00 0.00 H new ATOM 638 N VAL A 44 82.049 0.221 7.998 1.00 0.00 N ATOM 639 CA VAL A 44 83.276 0.990 8.334 1.00 0.00 C ATOM 640 C VAL A 44 82.949 2.482 8.185 1.00 0.00 C ATOM 641 O VAL A 44 83.401 3.305 8.956 1.00 0.00 O ATOM 642 CB VAL A 44 84.405 0.560 7.373 1.00 0.00 C ATOM 643 CG1 VAL A 44 85.464 1.663 7.245 1.00 0.00 C ATOM 644 CG2 VAL A 44 85.074 -0.712 7.906 1.00 0.00 C ATOM 0 H VAL A 44 82.010 -0.124 7.039 1.00 0.00 H new ATOM 0 HA VAL A 44 83.608 0.800 9.355 1.00 0.00 H new ATOM 0 HB VAL A 44 83.968 0.375 6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 44 86.249 1.336 6.563 1.00 0.00 H new ATOM 0 HG12 VAL A 44 85.000 2.570 6.857 1.00 0.00 H new ATOM 0 HG13 VAL A 44 85.897 1.868 8.224 1.00 0.00 H new ATOM 0 HG21 VAL A 44 85.871 -1.016 7.227 1.00 0.00 H new ATOM 0 HG22 VAL A 44 85.493 -0.517 8.893 1.00 0.00 H new ATOM 0 HG23 VAL A 44 84.335 -1.510 7.977 1.00 0.00 H new ATOM 654 N MET A 45 82.140 2.834 7.215 1.00 0.00 N ATOM 655 CA MET A 45 81.759 4.269 7.046 1.00 0.00 C ATOM 656 C MET A 45 81.263 4.782 8.399 1.00 0.00 C ATOM 657 O MET A 45 81.486 5.915 8.777 1.00 0.00 O ATOM 658 CB MET A 45 80.604 4.389 6.028 1.00 0.00 C ATOM 659 CG MET A 45 81.118 4.355 4.577 1.00 0.00 C ATOM 660 SD MET A 45 79.941 5.233 3.503 1.00 0.00 S ATOM 661 CE MET A 45 78.605 4.003 3.502 1.00 0.00 C ATOM 0 H MET A 45 81.729 2.192 6.537 1.00 0.00 H new ATOM 0 HA MET A 45 82.615 4.842 6.691 1.00 0.00 H new ATOM 0 HB2 MET A 45 79.897 3.574 6.183 1.00 0.00 H new ATOM 0 HB3 MET A 45 80.062 5.319 6.200 1.00 0.00 H new ATOM 0 HG2 MET A 45 82.101 4.821 4.516 1.00 0.00 H new ATOM 0 HG3 MET A 45 81.233 3.324 4.244 1.00 0.00 H new ATOM 0 HE1 MET A 45 77.700 4.449 3.090 1.00 0.00 H new ATOM 0 HE2 MET A 45 78.898 3.148 2.893 1.00 0.00 H new ATOM 0 HE3 MET A 45 78.414 3.673 4.523 1.00 0.00 H new ATOM 671 N LEU A 46 80.574 3.940 9.115 1.00 0.00 N ATOM 672 CA LEU A 46 80.025 4.340 10.440 1.00 0.00 C ATOM 673 C LEU A 46 81.154 4.515 11.463 1.00 0.00 C ATOM 674 O LEU A 46 81.397 5.596 11.960 1.00 0.00 O ATOM 675 CB LEU A 46 79.075 3.236 10.932 1.00 0.00 C ATOM 676 CG LEU A 46 78.145 3.787 12.047 1.00 0.00 C ATOM 677 CD1 LEU A 46 76.818 4.267 11.448 1.00 0.00 C ATOM 678 CD2 LEU A 46 77.851 2.690 13.078 1.00 0.00 C ATOM 0 H LEU A 46 80.365 2.981 8.836 1.00 0.00 H new ATOM 0 HA LEU A 46 79.496 5.287 10.334 1.00 0.00 H new ATOM 0 HB2 LEU A 46 78.477 2.864 10.100 1.00 0.00 H new ATOM 0 HB3 LEU A 46 79.652 2.393 11.313 1.00 0.00 H new ATOM 0 HG LEU A 46 78.651 4.623 12.529 1.00 0.00 H new ATOM 0 HD11 LEU A 46 76.178 4.650 12.243 1.00 0.00 H new ATOM 0 HD12 LEU A 46 77.011 5.059 10.724 1.00 0.00 H new ATOM 0 HD13 LEU A 46 76.321 3.434 10.951 1.00 0.00 H new ATOM 0 HD21 LEU A 46 77.198 3.087 13.855 1.00 0.00 H new ATOM 0 HD22 LEU A 46 77.360 1.850 12.586 1.00 0.00 H new ATOM 0 HD23 LEU A 46 78.785 2.352 13.526 1.00 0.00 H new ATOM 690 N LYS A 47 81.821 3.447 11.800 1.00 0.00 N ATOM 691 CA LYS A 47 82.910 3.521 12.817 1.00 0.00 C ATOM 692 C LYS A 47 83.947 4.590 12.452 1.00 0.00 C ATOM 693 O LYS A 47 84.237 5.472 13.236 1.00 0.00 O ATOM 694 CB LYS A 47 83.585 2.154 12.918 1.00 0.00 C ATOM 695 CG LYS A 47 82.506 1.091 13.149 1.00 0.00 C ATOM 696 CD LYS A 47 83.142 -0.253 13.538 1.00 0.00 C ATOM 697 CE LYS A 47 83.634 -0.984 12.286 1.00 0.00 C ATOM 698 NZ LYS A 47 82.483 -1.260 11.380 1.00 0.00 N ATOM 0 H LYS A 47 81.658 2.518 11.412 1.00 0.00 H new ATOM 0 HA LYS A 47 82.474 3.799 13.776 1.00 0.00 H new ATOM 0 HB2 LYS A 47 84.140 1.938 12.005 1.00 0.00 H new ATOM 0 HB3 LYS A 47 84.304 2.147 13.737 1.00 0.00 H new ATOM 0 HG2 LYS A 47 81.828 1.419 13.936 1.00 0.00 H new ATOM 0 HG3 LYS A 47 81.910 0.969 12.245 1.00 0.00 H new ATOM 0 HD2 LYS A 47 83.974 -0.086 14.222 1.00 0.00 H new ATOM 0 HD3 LYS A 47 82.414 -0.869 14.066 1.00 0.00 H new ATOM 0 HE2 LYS A 47 84.379 -0.379 11.769 1.00 0.00 H new ATOM 0 HE3 LYS A 47 84.121 -1.918 12.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 82.763 -1.965 10.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 81.684 -1.627 11.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 82.198 -0.381 10.903 1.00 0.00 H new ATOM 712 N LEU A 48 84.525 4.515 11.285 1.00 0.00 N ATOM 713 CA LEU A 48 85.559 5.525 10.898 1.00 0.00 C ATOM 714 C LEU A 48 85.066 6.939 11.243 1.00 0.00 C ATOM 715 O LEU A 48 85.775 7.721 11.848 1.00 0.00 O ATOM 716 CB LEU A 48 85.842 5.409 9.388 1.00 0.00 C ATOM 717 CG LEU A 48 86.865 6.465 8.922 1.00 0.00 C ATOM 718 CD1 LEU A 48 88.229 6.216 9.566 1.00 0.00 C ATOM 719 CD2 LEU A 48 87.027 6.365 7.406 1.00 0.00 C ATOM 0 H LEU A 48 84.329 3.802 10.582 1.00 0.00 H new ATOM 0 HA LEU A 48 86.480 5.336 11.450 1.00 0.00 H new ATOM 0 HB2 LEU A 48 86.219 4.411 9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 48 84.912 5.531 8.832 1.00 0.00 H new ATOM 0 HG LEU A 48 86.503 7.451 9.212 1.00 0.00 H new ATOM 0 HD11 LEU A 48 88.936 6.972 9.224 1.00 0.00 H new ATOM 0 HD12 LEU A 48 88.135 6.271 10.651 1.00 0.00 H new ATOM 0 HD13 LEU A 48 88.590 5.227 9.283 1.00 0.00 H new ATOM 0 HD21 LEU A 48 87.749 7.108 7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 48 87.382 5.368 7.143 1.00 0.00 H new ATOM 0 HD23 LEU A 48 86.066 6.547 6.925 1.00 0.00 H new ATOM 731 N VAL A 49 83.863 7.276 10.867 1.00 0.00 N ATOM 732 CA VAL A 49 83.338 8.639 11.178 1.00 0.00 C ATOM 733 C VAL A 49 83.138 8.781 12.691 1.00 0.00 C ATOM 734 O VAL A 49 83.516 9.774 13.281 1.00 0.00 O ATOM 735 CB VAL A 49 82.001 8.847 10.457 1.00 0.00 C ATOM 736 CG1 VAL A 49 81.311 10.112 10.981 1.00 0.00 C ATOM 737 CG2 VAL A 49 82.253 8.997 8.954 1.00 0.00 C ATOM 0 H VAL A 49 83.220 6.669 10.359 1.00 0.00 H new ATOM 0 HA VAL A 49 84.052 9.390 10.839 1.00 0.00 H new ATOM 0 HB VAL A 49 81.359 7.986 10.642 1.00 0.00 H new ATOM 0 HG11 VAL A 49 80.362 10.250 10.462 1.00 0.00 H new ATOM 0 HG12 VAL A 49 81.128 10.010 12.051 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.951 10.976 10.803 1.00 0.00 H new ATOM 0 HG21 VAL A 49 81.304 9.145 8.439 1.00 0.00 H new ATOM 0 HG22 VAL A 49 82.900 9.857 8.777 1.00 0.00 H new ATOM 0 HG23 VAL A 49 82.735 8.096 8.574 1.00 0.00 H new ATOM 747 N GLU A 50 82.540 7.803 13.321 1.00 0.00 N ATOM 748 CA GLU A 50 82.312 7.888 14.795 1.00 0.00 C ATOM 749 C GLU A 50 83.585 8.380 15.482 1.00 0.00 C ATOM 750 O GLU A 50 83.542 9.145 16.425 1.00 0.00 O ATOM 751 CB GLU A 50 81.955 6.502 15.342 1.00 0.00 C ATOM 752 CG GLU A 50 80.509 6.152 14.979 1.00 0.00 C ATOM 753 CD GLU A 50 79.551 7.033 15.782 1.00 0.00 C ATOM 754 OE1 GLU A 50 79.503 6.873 16.991 1.00 0.00 O ATOM 755 OE2 GLU A 50 78.882 7.852 15.175 1.00 0.00 O ATOM 0 H GLU A 50 82.200 6.949 12.879 1.00 0.00 H new ATOM 0 HA GLU A 50 81.495 8.582 14.990 1.00 0.00 H new ATOM 0 HB2 GLU A 50 82.633 5.754 14.931 1.00 0.00 H new ATOM 0 HB3 GLU A 50 82.081 6.486 16.425 1.00 0.00 H new ATOM 0 HG2 GLU A 50 80.346 6.299 13.911 1.00 0.00 H new ATOM 0 HG3 GLU A 50 80.315 5.100 15.190 1.00 0.00 H new ATOM 762 N LYS A 51 84.718 7.940 15.018 1.00 0.00 N ATOM 763 CA LYS A 51 85.996 8.367 15.637 1.00 0.00 C ATOM 764 C LYS A 51 86.217 9.862 15.402 1.00 0.00 C ATOM 765 O LYS A 51 86.590 10.589 16.301 1.00 0.00 O ATOM 766 CB LYS A 51 87.131 7.567 15.011 1.00 0.00 C ATOM 767 CG LYS A 51 86.977 6.098 15.410 1.00 0.00 C ATOM 768 CD LYS A 51 88.108 5.268 14.790 1.00 0.00 C ATOM 769 CE LYS A 51 88.318 3.991 15.610 1.00 0.00 C ATOM 770 NZ LYS A 51 89.418 3.185 15.008 1.00 0.00 N ATOM 0 H LYS A 51 84.812 7.298 14.231 1.00 0.00 H new ATOM 0 HA LYS A 51 85.966 8.187 16.712 1.00 0.00 H new ATOM 0 HB2 LYS A 51 87.110 7.668 13.926 1.00 0.00 H new ATOM 0 HB3 LYS A 51 88.094 7.951 15.348 1.00 0.00 H new ATOM 0 HG2 LYS A 51 86.997 6.003 16.496 1.00 0.00 H new ATOM 0 HG3 LYS A 51 86.011 5.720 15.075 1.00 0.00 H new ATOM 0 HD2 LYS A 51 87.863 5.014 13.759 1.00 0.00 H new ATOM 0 HD3 LYS A 51 89.029 5.851 14.764 1.00 0.00 H new ATOM 0 HE2 LYS A 51 88.562 4.245 16.641 1.00 0.00 H new ATOM 0 HE3 LYS A 51 87.398 3.407 15.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 89.035 2.286 14.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 89.846 3.714 14.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 90.142 2.992 15.729 1.00 0.00 H new ATOM 784 N LEU A 52 85.987 10.334 14.207 1.00 0.00 N ATOM 785 CA LEU A 52 86.179 11.769 13.927 1.00 0.00 C ATOM 786 C LEU A 52 85.244 12.569 14.842 1.00 0.00 C ATOM 787 O LEU A 52 85.684 13.286 15.715 1.00 0.00 O ATOM 788 CB LEU A 52 85.849 11.998 12.439 1.00 0.00 C ATOM 789 CG LEU A 52 86.944 12.828 11.751 1.00 0.00 C ATOM 790 CD1 LEU A 52 87.212 14.121 12.548 1.00 0.00 C ATOM 791 CD2 LEU A 52 88.246 12.006 11.617 1.00 0.00 C ATOM 0 H LEU A 52 85.672 9.776 13.413 1.00 0.00 H new ATOM 0 HA LEU A 52 87.202 12.094 14.119 1.00 0.00 H new ATOM 0 HB2 LEU A 52 85.745 11.037 11.934 1.00 0.00 H new ATOM 0 HB3 LEU A 52 84.891 12.510 12.350 1.00 0.00 H new ATOM 0 HG LEU A 52 86.599 13.094 10.752 1.00 0.00 H new ATOM 0 HD11 LEU A 52 87.990 14.700 12.051 1.00 0.00 H new ATOM 0 HD12 LEU A 52 86.297 14.712 12.601 1.00 0.00 H new ATOM 0 HD13 LEU A 52 87.539 13.866 13.556 1.00 0.00 H new ATOM 0 HD21 LEU A 52 89.009 12.611 11.127 1.00 0.00 H new ATOM 0 HD22 LEU A 52 88.595 11.713 12.607 1.00 0.00 H new ATOM 0 HD23 LEU A 52 88.053 11.114 11.022 1.00 0.00 H new ATOM 803 N ASP A 53 83.962 12.416 14.650 1.00 0.00 N ATOM 804 CA ASP A 53 82.956 13.113 15.499 1.00 0.00 C ATOM 805 C ASP A 53 82.845 14.575 15.103 1.00 0.00 C ATOM 806 O ASP A 53 83.410 15.454 15.723 1.00 0.00 O ATOM 807 CB ASP A 53 83.371 12.984 16.957 1.00 0.00 C ATOM 808 CG ASP A 53 82.142 13.039 17.873 1.00 0.00 C ATOM 809 OD1 ASP A 53 81.637 14.128 18.088 1.00 0.00 O ATOM 810 OD2 ASP A 53 81.730 11.991 18.341 1.00 0.00 O ATOM 0 H ASP A 53 83.562 11.823 13.923 1.00 0.00 H new ATOM 0 HA ASP A 53 81.977 12.655 15.356 1.00 0.00 H new ATOM 0 HB2 ASP A 53 83.903 12.044 17.108 1.00 0.00 H new ATOM 0 HB3 ASP A 53 84.062 13.786 17.217 1.00 0.00 H new ATOM 815 N VAL A 54 82.113 14.829 14.073 1.00 0.00 N ATOM 816 CA VAL A 54 81.941 16.224 13.608 1.00 0.00 C ATOM 817 C VAL A 54 80.887 16.259 12.505 1.00 0.00 C ATOM 818 O VAL A 54 80.818 15.381 11.667 1.00 0.00 O ATOM 819 CB VAL A 54 83.287 16.727 13.099 1.00 0.00 C ATOM 820 CG1 VAL A 54 83.874 15.698 12.137 1.00 0.00 C ATOM 821 CG2 VAL A 54 83.111 18.078 12.397 1.00 0.00 C ATOM 0 H VAL A 54 81.619 14.126 13.524 1.00 0.00 H new ATOM 0 HA VAL A 54 81.604 16.868 14.420 1.00 0.00 H new ATOM 0 HB VAL A 54 83.969 16.864 13.938 1.00 0.00 H new ATOM 0 HG11 VAL A 54 84.837 16.052 11.769 1.00 0.00 H new ATOM 0 HG12 VAL A 54 84.010 14.750 12.657 1.00 0.00 H new ATOM 0 HG13 VAL A 54 83.194 15.556 11.297 1.00 0.00 H new ATOM 0 HG21 VAL A 54 84.078 18.430 12.037 1.00 0.00 H new ATOM 0 HG22 VAL A 54 82.429 17.964 11.554 1.00 0.00 H new ATOM 0 HG23 VAL A 54 82.701 18.803 13.100 1.00 0.00 H new ATOM 831 N LYS A 55 80.053 17.260 12.509 1.00 0.00 N ATOM 832 CA LYS A 55 78.988 17.345 11.474 1.00 0.00 C ATOM 833 C LYS A 55 79.613 17.634 10.102 1.00 0.00 C ATOM 834 O LYS A 55 79.040 18.332 9.288 1.00 0.00 O ATOM 835 CB LYS A 55 77.990 18.455 11.864 1.00 0.00 C ATOM 836 CG LYS A 55 76.551 18.012 11.532 1.00 0.00 C ATOM 837 CD LYS A 55 76.023 16.997 12.588 1.00 0.00 C ATOM 838 CE LYS A 55 75.465 15.730 11.920 1.00 0.00 C ATOM 839 NZ LYS A 55 76.564 14.994 11.237 1.00 0.00 N ATOM 0 H LYS A 55 80.063 18.024 13.185 1.00 0.00 H new ATOM 0 HA LYS A 55 78.456 16.395 11.413 1.00 0.00 H new ATOM 0 HB2 LYS A 55 78.075 18.674 12.928 1.00 0.00 H new ATOM 0 HB3 LYS A 55 78.229 19.374 11.329 1.00 0.00 H new ATOM 0 HG2 LYS A 55 75.897 18.883 11.500 1.00 0.00 H new ATOM 0 HG3 LYS A 55 76.526 17.558 10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 55 76.830 16.726 13.269 1.00 0.00 H new ATOM 0 HD3 LYS A 55 75.244 17.467 13.188 1.00 0.00 H new ATOM 0 HE2 LYS A 55 74.996 15.090 12.668 1.00 0.00 H new ATOM 0 HE3 LYS A 55 74.692 15.998 11.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 76.163 14.226 10.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 77.090 15.648 10.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 77.208 14.593 11.948 1.00 0.00 H new ATOM 853 N LYS A 56 80.775 17.095 9.829 1.00 0.00 N ATOM 854 CA LYS A 56 81.403 17.345 8.495 1.00 0.00 C ATOM 855 C LYS A 56 80.733 16.449 7.453 1.00 0.00 C ATOM 856 O LYS A 56 80.317 15.343 7.738 1.00 0.00 O ATOM 857 CB LYS A 56 82.905 17.033 8.550 1.00 0.00 C ATOM 858 CG LYS A 56 83.587 17.459 7.240 1.00 0.00 C ATOM 859 CD LYS A 56 84.969 16.805 7.141 1.00 0.00 C ATOM 860 CE LYS A 56 85.810 17.174 8.366 1.00 0.00 C ATOM 861 NZ LYS A 56 85.610 18.614 8.691 1.00 0.00 N ATOM 0 H LYS A 56 81.310 16.501 10.462 1.00 0.00 H new ATOM 0 HA LYS A 56 81.271 18.393 8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 56 83.361 17.554 9.392 1.00 0.00 H new ATOM 0 HB3 LYS A 56 83.056 15.966 8.716 1.00 0.00 H new ATOM 0 HG2 LYS A 56 82.974 17.167 6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 56 83.684 18.544 7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 56 84.864 15.722 7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.472 17.134 6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 56 85.524 16.555 9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 56 86.864 16.978 8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 86.461 18.986 9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.437 19.147 7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 84.793 18.716 9.326 1.00 0.00 H new ATOM 875 N ASP A 57 80.631 16.924 6.247 1.00 0.00 N ATOM 876 CA ASP A 57 79.996 16.116 5.170 1.00 0.00 C ATOM 877 C ASP A 57 80.804 14.835 4.953 1.00 0.00 C ATOM 878 O ASP A 57 81.891 14.865 4.413 1.00 0.00 O ATOM 879 CB ASP A 57 79.978 16.934 3.878 1.00 0.00 C ATOM 880 CG ASP A 57 79.396 18.320 4.159 1.00 0.00 C ATOM 881 OD1 ASP A 57 78.429 18.679 3.507 1.00 0.00 O ATOM 882 OD2 ASP A 57 79.926 19.001 5.022 1.00 0.00 O ATOM 0 H ASP A 57 80.962 17.844 5.957 1.00 0.00 H new ATOM 0 HA ASP A 57 78.976 15.856 5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 57 80.988 17.026 3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 57 79.382 16.424 3.121 1.00 0.00 H new ATOM 887 N TRP A 58 80.285 13.709 5.381 1.00 0.00 N ATOM 888 CA TRP A 58 81.021 12.419 5.218 1.00 0.00 C ATOM 889 C TRP A 58 80.374 11.576 4.115 1.00 0.00 C ATOM 890 O TRP A 58 81.045 10.872 3.389 1.00 0.00 O ATOM 891 CB TRP A 58 80.953 11.652 6.533 1.00 0.00 C ATOM 892 CG TRP A 58 81.719 12.387 7.587 1.00 0.00 C ATOM 893 CD1 TRP A 58 81.177 12.896 8.716 1.00 0.00 C ATOM 894 CD2 TRP A 58 83.144 12.705 7.639 1.00 0.00 C ATOM 895 NE1 TRP A 58 82.172 13.508 9.454 1.00 0.00 N ATOM 896 CE2 TRP A 58 83.399 13.417 8.834 1.00 0.00 C ATOM 897 CE3 TRP A 58 84.230 12.453 6.778 1.00 0.00 C ATOM 898 CZ2 TRP A 58 84.677 13.862 9.165 1.00 0.00 C ATOM 899 CZ3 TRP A 58 85.521 12.899 7.110 1.00 0.00 C ATOM 900 CH2 TRP A 58 85.743 13.604 8.301 1.00 0.00 C ATOM 0 H TRP A 58 79.377 13.630 5.839 1.00 0.00 H new ATOM 0 HA TRP A 58 82.056 12.624 4.946 1.00 0.00 H new ATOM 0 HB2 TRP A 58 79.915 11.532 6.842 1.00 0.00 H new ATOM 0 HB3 TRP A 58 81.364 10.651 6.403 1.00 0.00 H new ATOM 0 HD1 TRP A 58 80.136 12.834 8.996 1.00 0.00 H new ATOM 0 HE1 TRP A 58 82.017 13.971 10.349 1.00 0.00 H new ATOM 0 HE3 TRP A 58 84.070 11.913 5.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 84.842 14.403 10.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 86.347 12.697 6.444 1.00 0.00 H new ATOM 0 HH2 TRP A 58 86.736 13.947 8.550 1.00 0.00 H new ATOM 911 N SER A 59 79.075 11.640 3.992 1.00 0.00 N ATOM 912 CA SER A 59 78.366 10.840 2.939 1.00 0.00 C ATOM 913 C SER A 59 79.157 10.887 1.632 1.00 0.00 C ATOM 914 O SER A 59 79.460 9.869 1.041 1.00 0.00 O ATOM 915 CB SER A 59 76.973 11.429 2.708 1.00 0.00 C ATOM 916 OG SER A 59 76.566 11.163 1.372 1.00 0.00 O ATOM 0 H SER A 59 78.467 12.214 4.577 1.00 0.00 H new ATOM 0 HA SER A 59 78.279 9.805 3.271 1.00 0.00 H new ATOM 0 HB2 SER A 59 76.261 10.995 3.410 1.00 0.00 H new ATOM 0 HB3 SER A 59 76.985 12.504 2.889 1.00 0.00 H new ATOM 0 HG SER A 59 75.673 11.538 1.221 1.00 0.00 H new ATOM 922 N ASP A 60 79.508 12.057 1.187 1.00 0.00 N ATOM 923 CA ASP A 60 80.296 12.163 -0.066 1.00 0.00 C ATOM 924 C ASP A 60 81.575 11.337 0.094 1.00 0.00 C ATOM 925 O ASP A 60 82.031 10.690 -0.827 1.00 0.00 O ATOM 926 CB ASP A 60 80.647 13.634 -0.309 1.00 0.00 C ATOM 927 CG ASP A 60 81.674 13.748 -1.438 1.00 0.00 C ATOM 928 OD1 ASP A 60 82.543 14.599 -1.338 1.00 0.00 O ATOM 929 OD2 ASP A 60 81.574 12.983 -2.383 1.00 0.00 O ATOM 0 H ASP A 60 79.283 12.944 1.637 1.00 0.00 H new ATOM 0 HA ASP A 60 79.723 11.788 -0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 60 79.748 14.193 -0.567 1.00 0.00 H new ATOM 0 HB3 ASP A 60 81.047 14.076 0.603 1.00 0.00 H new ATOM 934 N HIS A 61 82.149 11.353 1.268 1.00 0.00 N ATOM 935 CA HIS A 61 83.394 10.576 1.512 1.00 0.00 C ATOM 936 C HIS A 61 83.071 9.085 1.573 1.00 0.00 C ATOM 937 O HIS A 61 82.127 8.663 2.210 1.00 0.00 O ATOM 938 CB HIS A 61 84.019 11.019 2.837 1.00 0.00 C ATOM 939 CG HIS A 61 84.233 12.509 2.828 1.00 0.00 C ATOM 940 ND1 HIS A 61 85.488 13.074 2.995 1.00 0.00 N ATOM 941 CD2 HIS A 61 83.366 13.565 2.679 1.00 0.00 C ATOM 942 CE1 HIS A 61 85.343 14.411 2.944 1.00 0.00 C ATOM 943 NE2 HIS A 61 84.069 14.763 2.753 1.00 0.00 N ATOM 0 H HIS A 61 81.804 11.876 2.073 1.00 0.00 H new ATOM 0 HA HIS A 61 84.096 10.757 0.698 1.00 0.00 H new ATOM 0 HB2 HIS A 61 83.369 10.741 3.667 1.00 0.00 H new ATOM 0 HB3 HIS A 61 84.969 10.507 2.990 1.00 0.00 H new ATOM 0 HD2 HIS A 61 82.300 13.478 2.527 1.00 0.00 H new ATOM 0 HE1 HIS A 61 86.157 15.113 3.045 1.00 0.00 H new ATOM 0 HE2 HIS A 61 83.692 15.708 2.678 1.00 0.00 H new ATOM 951 N ALA A 62 83.863 8.288 0.912 1.00 0.00 N ATOM 952 CA ALA A 62 83.641 6.815 0.909 1.00 0.00 C ATOM 953 C ALA A 62 85.007 6.133 0.854 1.00 0.00 C ATOM 954 O ALA A 62 86.022 6.790 0.738 1.00 0.00 O ATOM 955 CB ALA A 62 82.814 6.432 -0.321 1.00 0.00 C ATOM 0 H ALA A 62 84.666 8.599 0.366 1.00 0.00 H new ATOM 0 HA ALA A 62 83.103 6.503 1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 62 82.649 5.355 -0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 62 81.853 6.946 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 62 83.350 6.722 -1.225 1.00 0.00 H new ATOM 961 N LEU A 63 85.058 4.828 0.946 1.00 0.00 N ATOM 962 CA LEU A 63 86.385 4.137 0.910 1.00 0.00 C ATOM 963 C LEU A 63 86.704 3.690 -0.521 1.00 0.00 C ATOM 964 O LEU A 63 85.840 3.254 -1.255 1.00 0.00 O ATOM 965 CB LEU A 63 86.362 2.905 1.823 1.00 0.00 C ATOM 966 CG LEU A 63 86.155 3.300 3.291 1.00 0.00 C ATOM 967 CD1 LEU A 63 87.303 4.199 3.774 1.00 0.00 C ATOM 968 CD2 LEU A 63 84.802 4.018 3.475 1.00 0.00 C ATOM 0 H LEU A 63 84.248 4.216 1.044 1.00 0.00 H new ATOM 0 HA LEU A 63 87.148 4.834 1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 63 85.563 2.233 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 63 87.299 2.357 1.721 1.00 0.00 H new ATOM 0 HG LEU A 63 86.149 2.390 3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 63 87.139 4.469 4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 63 88.248 3.664 3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 63 87.338 5.103 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 63 84.674 4.290 4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 63 84.782 4.919 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 63 83.993 3.353 3.171 1.00 0.00 H new ATOM 980 N TRP A 64 87.950 3.811 -0.917 1.00 0.00 N ATOM 981 CA TRP A 64 88.371 3.410 -2.302 1.00 0.00 C ATOM 982 C TRP A 64 89.533 2.405 -2.187 1.00 0.00 C ATOM 983 O TRP A 64 90.276 2.416 -1.226 1.00 0.00 O ATOM 984 CB TRP A 64 88.749 4.716 -3.075 1.00 0.00 C ATOM 985 CG TRP A 64 90.175 4.757 -3.563 1.00 0.00 C ATOM 986 CD1 TRP A 64 91.284 4.568 -2.806 1.00 0.00 C ATOM 987 CD2 TRP A 64 90.653 5.066 -4.907 1.00 0.00 C ATOM 988 NE1 TRP A 64 92.402 4.696 -3.610 1.00 0.00 N ATOM 989 CE2 TRP A 64 92.066 5.012 -4.910 1.00 0.00 C ATOM 990 CE3 TRP A 64 90.001 5.372 -6.116 1.00 0.00 C ATOM 991 CZ2 TRP A 64 92.807 5.257 -6.067 1.00 0.00 C ATOM 992 CZ3 TRP A 64 90.743 5.623 -7.282 1.00 0.00 C ATOM 993 CH2 TRP A 64 92.144 5.565 -7.258 1.00 0.00 C ATOM 0 H TRP A 64 88.703 4.175 -0.333 1.00 0.00 H new ATOM 0 HA TRP A 64 87.578 2.912 -2.859 1.00 0.00 H new ATOM 0 HB2 TRP A 64 88.081 4.824 -3.930 1.00 0.00 H new ATOM 0 HB3 TRP A 64 88.575 5.573 -2.424 1.00 0.00 H new ATOM 0 HD1 TRP A 64 91.293 4.353 -1.748 1.00 0.00 H new ATOM 0 HE1 TRP A 64 93.360 4.572 -3.281 1.00 0.00 H new ATOM 0 HE3 TRP A 64 88.922 5.414 -6.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 93.886 5.209 -6.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 90.231 5.862 -8.203 1.00 0.00 H new ATOM 0 HH2 TRP A 64 92.709 5.758 -8.158 1.00 0.00 H new ATOM 1004 N TRP A 65 89.675 1.515 -3.143 1.00 0.00 N ATOM 1005 CA TRP A 65 90.776 0.494 -3.087 1.00 0.00 C ATOM 1006 C TRP A 65 91.790 0.808 -4.186 1.00 0.00 C ATOM 1007 O TRP A 65 91.629 0.396 -5.309 1.00 0.00 O ATOM 1008 CB TRP A 65 90.190 -0.904 -3.322 1.00 0.00 C ATOM 1009 CG TRP A 65 91.178 -1.969 -2.932 1.00 0.00 C ATOM 1010 CD1 TRP A 65 92.477 -1.765 -2.587 1.00 0.00 C ATOM 1011 CD2 TRP A 65 90.961 -3.409 -2.851 1.00 0.00 C ATOM 1012 NE1 TRP A 65 93.060 -2.986 -2.298 1.00 0.00 N ATOM 1013 CE2 TRP A 65 92.169 -4.028 -2.451 1.00 0.00 C ATOM 1014 CE3 TRP A 65 89.843 -4.229 -3.086 1.00 0.00 C ATOM 1015 CZ2 TRP A 65 92.262 -5.412 -2.291 1.00 0.00 C ATOM 1016 CZ3 TRP A 65 89.936 -5.620 -2.926 1.00 0.00 C ATOM 1017 CH2 TRP A 65 91.143 -6.210 -2.531 1.00 0.00 C ATOM 0 H TRP A 65 89.073 1.451 -3.964 1.00 0.00 H new ATOM 0 HA TRP A 65 91.260 0.522 -2.111 1.00 0.00 H new ATOM 0 HB2 TRP A 65 89.274 -1.022 -2.743 1.00 0.00 H new ATOM 0 HB3 TRP A 65 89.920 -1.019 -4.372 1.00 0.00 H new ATOM 0 HD1 TRP A 65 92.973 -0.806 -2.545 1.00 0.00 H new ATOM 0 HE1 TRP A 65 94.031 -3.102 -2.007 1.00 0.00 H new ATOM 0 HE3 TRP A 65 88.907 -3.785 -3.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 93.194 -5.862 -1.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 89.071 -6.240 -3.109 1.00 0.00 H new ATOM 0 HH2 TRP A 65 91.208 -7.282 -2.412 1.00 0.00 H new ATOM 1028 N GLU A 66 92.823 1.547 -3.878 1.00 0.00 N ATOM 1029 CA GLU A 66 93.832 1.901 -4.923 1.00 0.00 C ATOM 1030 C GLU A 66 94.379 0.649 -5.603 1.00 0.00 C ATOM 1031 O GLU A 66 94.833 0.705 -6.724 1.00 0.00 O ATOM 1032 CB GLU A 66 94.985 2.670 -4.296 1.00 0.00 C ATOM 1033 CG GLU A 66 95.487 1.915 -3.070 1.00 0.00 C ATOM 1034 CD GLU A 66 96.600 2.717 -2.392 1.00 0.00 C ATOM 1035 OE1 GLU A 66 97.435 3.251 -3.103 1.00 0.00 O ATOM 1036 OE2 GLU A 66 96.598 2.783 -1.174 1.00 0.00 O ATOM 0 H GLU A 66 93.013 1.921 -2.948 1.00 0.00 H new ATOM 0 HA GLU A 66 93.336 2.520 -5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 66 95.792 2.791 -5.019 1.00 0.00 H new ATOM 0 HB3 GLU A 66 94.658 3.671 -4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 66 94.667 1.750 -2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 66 95.859 0.933 -3.362 1.00 0.00 H new ATOM 1043 N LYS A 67 94.337 -0.483 -4.966 1.00 0.00 N ATOM 1044 CA LYS A 67 94.850 -1.695 -5.658 1.00 0.00 C ATOM 1045 C LYS A 67 93.881 -1.974 -6.798 1.00 0.00 C ATOM 1046 O LYS A 67 94.100 -2.816 -7.645 1.00 0.00 O ATOM 1047 CB LYS A 67 94.873 -2.901 -4.716 1.00 0.00 C ATOM 1048 CG LYS A 67 95.582 -2.550 -3.407 1.00 0.00 C ATOM 1049 CD LYS A 67 97.020 -2.108 -3.688 1.00 0.00 C ATOM 1050 CE LYS A 67 97.843 -2.166 -2.391 1.00 0.00 C ATOM 1051 NZ LYS A 67 98.444 -3.522 -2.248 1.00 0.00 N ATOM 0 H LYS A 67 93.980 -0.623 -4.021 1.00 0.00 H new ATOM 0 HA LYS A 67 95.869 -1.530 -6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 67 93.854 -3.226 -4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 67 95.381 -3.736 -5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 67 95.042 -1.754 -2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 67 95.582 -3.414 -2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 67 97.468 -2.754 -4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 67 97.027 -1.095 -4.090 1.00 0.00 H new ATOM 0 HE2 LYS A 67 98.627 -1.409 -2.410 1.00 0.00 H new ATOM 0 HE3 LYS A 67 97.207 -1.945 -1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 99.001 -3.564 -1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 97.688 -4.235 -2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 99.063 -3.715 -3.061 1.00 0.00 H new ATOM 1065 N LYS A 68 92.787 -1.261 -6.786 1.00 0.00 N ATOM 1066 CA LYS A 68 91.728 -1.432 -7.815 1.00 0.00 C ATOM 1067 C LYS A 68 91.293 -0.052 -8.315 1.00 0.00 C ATOM 1068 O LYS A 68 90.576 0.065 -9.289 1.00 0.00 O ATOM 1069 CB LYS A 68 90.511 -2.141 -7.182 1.00 0.00 C ATOM 1070 CG LYS A 68 90.957 -3.176 -6.135 1.00 0.00 C ATOM 1071 CD LYS A 68 91.497 -4.423 -6.841 1.00 0.00 C ATOM 1072 CE LYS A 68 92.283 -5.294 -5.849 1.00 0.00 C ATOM 1073 NZ LYS A 68 92.190 -6.723 -6.263 1.00 0.00 N ATOM 0 H LYS A 68 92.581 -0.549 -6.086 1.00 0.00 H new ATOM 0 HA LYS A 68 92.112 -2.027 -8.643 1.00 0.00 H new ATOM 0 HB2 LYS A 68 89.859 -1.403 -6.714 1.00 0.00 H new ATOM 0 HB3 LYS A 68 89.928 -2.634 -7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 68 91.726 -2.749 -5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 68 90.117 -3.444 -5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 68 90.672 -4.996 -7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 68 92.142 -4.130 -7.670 1.00 0.00 H new ATOM 0 HE2 LYS A 68 93.326 -4.980 -5.819 1.00 0.00 H new ATOM 0 HE3 LYS A 68 91.884 -5.169 -4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 92.722 -7.314 -5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 91.193 -7.018 -6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 92.591 -6.835 -7.216 1.00 0.00 H new ATOM 1087 N ARG A 69 91.687 0.992 -7.632 1.00 0.00 N ATOM 1088 CA ARG A 69 91.259 2.355 -8.045 1.00 0.00 C ATOM 1089 C ARG A 69 89.743 2.331 -8.172 1.00 0.00 C ATOM 1090 O ARG A 69 89.179 2.798 -9.142 1.00 0.00 O ATOM 1091 CB ARG A 69 91.882 2.737 -9.399 1.00 0.00 C ATOM 1092 CG ARG A 69 93.374 3.095 -9.239 1.00 0.00 C ATOM 1093 CD ARG A 69 94.224 1.826 -9.312 1.00 0.00 C ATOM 1094 NE ARG A 69 94.308 1.362 -10.726 1.00 0.00 N ATOM 1095 CZ ARG A 69 95.047 2.010 -11.583 1.00 0.00 C ATOM 1096 NH1 ARG A 69 95.119 1.603 -12.821 1.00 0.00 N ATOM 1097 NH2 ARG A 69 95.714 3.066 -11.204 1.00 0.00 N ATOM 0 H ARG A 69 92.286 0.956 -6.807 1.00 0.00 H new ATOM 0 HA ARG A 69 91.585 3.090 -7.309 1.00 0.00 H new ATOM 0 HB2 ARG A 69 91.776 1.908 -10.099 1.00 0.00 H new ATOM 0 HB3 ARG A 69 91.345 3.584 -9.825 1.00 0.00 H new ATOM 0 HG2 ARG A 69 93.676 3.791 -10.022 1.00 0.00 H new ATOM 0 HG3 ARG A 69 93.536 3.598 -8.285 1.00 0.00 H new ATOM 0 HD2 ARG A 69 95.223 2.022 -8.923 1.00 0.00 H new ATOM 0 HD3 ARG A 69 93.787 1.047 -8.688 1.00 0.00 H new ATOM 0 HE ARG A 69 93.787 0.537 -11.023 1.00 0.00 H new ATOM 0 HH11 ARG A 69 94.597 0.778 -13.118 1.00 0.00 H new ATOM 0 HH12 ARG A 69 95.697 2.110 -13.492 1.00 0.00 H new ATOM 0 HH21 ARG A 69 95.657 3.385 -10.237 1.00 0.00 H new ATOM 0 HH22 ARG A 69 96.292 3.572 -11.875 1.00 0.00 H new ATOM 1111 N THR A 70 89.082 1.755 -7.198 1.00 0.00 N ATOM 1112 CA THR A 70 87.597 1.649 -7.241 1.00 0.00 C ATOM 1113 C THR A 70 86.990 2.525 -6.160 1.00 0.00 C ATOM 1114 O THR A 70 87.675 3.252 -5.481 1.00 0.00 O ATOM 1115 CB THR A 70 87.212 0.184 -6.978 1.00 0.00 C ATOM 1116 OG1 THR A 70 85.877 -0.042 -7.407 1.00 0.00 O ATOM 1117 CG2 THR A 70 87.336 -0.154 -5.484 1.00 0.00 C ATOM 0 H THR A 70 89.516 1.351 -6.368 1.00 0.00 H new ATOM 0 HA THR A 70 87.227 1.974 -8.214 1.00 0.00 H new ATOM 0 HB THR A 70 87.893 -0.458 -7.536 1.00 0.00 H new ATOM 0 HG1 THR A 70 85.634 -0.977 -7.240 1.00 0.00 H new ATOM 0 HG21 THR A 70 87.058 -1.196 -5.322 1.00 0.00 H new ATOM 0 HG22 THR A 70 88.365 0.002 -5.160 1.00 0.00 H new ATOM 0 HG23 THR A 70 86.673 0.492 -4.909 1.00 0.00 H new ATOM 1125 N TRP A 71 85.709 2.400 -5.968 1.00 0.00 N ATOM 1126 CA TRP A 71 85.009 3.157 -4.896 1.00 0.00 C ATOM 1127 C TRP A 71 84.225 2.129 -4.089 1.00 0.00 C ATOM 1128 O TRP A 71 83.177 1.666 -4.476 1.00 0.00 O ATOM 1129 CB TRP A 71 84.083 4.232 -5.488 1.00 0.00 C ATOM 1130 CG TRP A 71 83.433 3.783 -6.762 1.00 0.00 C ATOM 1131 CD1 TRP A 71 83.243 2.501 -7.160 1.00 0.00 C ATOM 1132 CD2 TRP A 71 82.864 4.619 -7.813 1.00 0.00 C ATOM 1133 NE1 TRP A 71 82.585 2.504 -8.366 1.00 0.00 N ATOM 1134 CE2 TRP A 71 82.335 3.781 -8.819 1.00 0.00 C ATOM 1135 CE3 TRP A 71 82.756 6.011 -7.986 1.00 0.00 C ATOM 1136 CZ2 TRP A 71 81.720 4.301 -9.959 1.00 0.00 C ATOM 1137 CZ3 TRP A 71 82.139 6.540 -9.132 1.00 0.00 C ATOM 1138 CH2 TRP A 71 81.622 5.686 -10.117 1.00 0.00 C ATOM 0 H TRP A 71 85.105 1.792 -6.521 1.00 0.00 H new ATOM 0 HA TRP A 71 85.719 3.689 -4.263 1.00 0.00 H new ATOM 0 HB2 TRP A 71 83.313 4.486 -4.760 1.00 0.00 H new ATOM 0 HB3 TRP A 71 84.657 5.140 -5.675 1.00 0.00 H new ATOM 0 HD1 TRP A 71 83.557 1.621 -6.618 1.00 0.00 H new ATOM 0 HE1 TRP A 71 82.313 1.659 -8.868 1.00 0.00 H new ATOM 0 HE3 TRP A 71 83.150 6.677 -7.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 81.323 3.638 -10.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 82.062 7.610 -9.255 1.00 0.00 H new ATOM 0 HH2 TRP A 71 81.149 6.098 -10.996 1.00 0.00 H new ATOM 1149 N LEU A 72 84.760 1.726 -2.985 1.00 0.00 N ATOM 1150 CA LEU A 72 84.093 0.672 -2.190 1.00 0.00 C ATOM 1151 C LEU A 72 82.706 1.123 -1.760 1.00 0.00 C ATOM 1152 O LEU A 72 82.481 1.588 -0.662 1.00 0.00 O ATOM 1153 CB LEU A 72 84.955 0.353 -0.979 1.00 0.00 C ATOM 1154 CG LEU A 72 86.347 -0.082 -1.457 1.00 0.00 C ATOM 1155 CD1 LEU A 72 87.332 -0.021 -0.292 1.00 0.00 C ATOM 1156 CD2 LEU A 72 86.300 -1.508 -2.036 1.00 0.00 C ATOM 0 H LEU A 72 85.633 2.080 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 72 83.974 -0.225 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 72 85.035 1.227 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 72 84.495 -0.439 -0.388 1.00 0.00 H new ATOM 0 HG LEU A 72 86.676 0.597 -2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 72 88.320 -0.330 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 72 87.383 0.999 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 72 86.998 -0.688 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.296 -1.798 -2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 72 85.958 -2.202 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 72 85.612 -1.535 -2.881 1.00 0.00 H new ATOM 1168 N LEU A 73 81.771 0.939 -2.647 1.00 0.00 N ATOM 1169 CA LEU A 73 80.346 1.284 -2.378 1.00 0.00 C ATOM 1170 C LEU A 73 79.547 -0.010 -2.492 1.00 0.00 C ATOM 1171 O LEU A 73 78.333 -0.019 -2.443 1.00 0.00 O ATOM 1172 CB LEU A 73 79.837 2.322 -3.402 1.00 0.00 C ATOM 1173 CG LEU A 73 80.106 1.861 -4.864 1.00 0.00 C ATOM 1174 CD1 LEU A 73 78.866 1.173 -5.459 1.00 0.00 C ATOM 1175 CD2 LEU A 73 80.441 3.076 -5.742 1.00 0.00 C ATOM 0 H LEU A 73 81.940 0.552 -3.576 1.00 0.00 H new ATOM 0 HA LEU A 73 80.235 1.724 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 73 78.768 2.480 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 73 80.327 3.279 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 73 80.940 1.160 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 73 79.079 0.860 -6.481 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.611 0.300 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.028 1.870 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.628 2.746 -6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.603 3.773 -5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 73 81.330 3.572 -5.353 1.00 0.00 H new ATOM 1187 N LYS A 74 80.241 -1.111 -2.643 1.00 0.00 N ATOM 1188 CA LYS A 74 79.559 -2.428 -2.763 1.00 0.00 C ATOM 1189 C LYS A 74 79.249 -2.949 -1.356 1.00 0.00 C ATOM 1190 O LYS A 74 79.660 -4.027 -0.974 1.00 0.00 O ATOM 1191 CB LYS A 74 80.481 -3.422 -3.502 1.00 0.00 C ATOM 1192 CG LYS A 74 80.267 -3.324 -5.021 1.00 0.00 C ATOM 1193 CD LYS A 74 80.583 -1.909 -5.520 1.00 0.00 C ATOM 1194 CE LYS A 74 82.043 -1.549 -5.222 1.00 0.00 C ATOM 1195 NZ LYS A 74 82.907 -2.752 -5.388 1.00 0.00 N ATOM 0 H LYS A 74 81.259 -1.150 -2.688 1.00 0.00 H new ATOM 0 HA LYS A 74 78.633 -2.321 -3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 74 81.523 -3.210 -3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 74 80.276 -4.438 -3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 74 80.905 -4.046 -5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 74 79.236 -3.580 -5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 74 80.398 -1.845 -6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 74 79.919 -1.191 -5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 74 82.375 -0.757 -5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 74 82.132 -1.164 -4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 83.897 -2.455 -5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 82.824 -3.358 -4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 82.604 -3.284 -6.229 1.00 0.00 H new ATOM 1209 N THR A 75 78.524 -2.193 -0.581 1.00 0.00 N ATOM 1210 CA THR A 75 78.184 -2.647 0.796 1.00 0.00 C ATOM 1211 C THR A 75 77.633 -4.073 0.732 1.00 0.00 C ATOM 1212 O THR A 75 77.483 -4.742 1.736 1.00 0.00 O ATOM 1213 CB THR A 75 77.126 -1.707 1.383 1.00 0.00 C ATOM 1214 OG1 THR A 75 77.485 -0.368 1.077 1.00 0.00 O ATOM 1215 CG2 THR A 75 77.041 -1.874 2.907 1.00 0.00 C ATOM 0 H THR A 75 78.152 -1.280 -0.841 1.00 0.00 H new ATOM 0 HA THR A 75 79.073 -2.632 1.427 1.00 0.00 H new ATOM 0 HB THR A 75 76.154 -1.949 0.952 1.00 0.00 H new ATOM 0 HG1 THR A 75 77.761 0.092 1.897 1.00 0.00 H new ATOM 0 HG21 THR A 75 76.284 -1.198 3.305 1.00 0.00 H new ATOM 0 HG22 THR A 75 76.771 -2.903 3.146 1.00 0.00 H new ATOM 0 HG23 THR A 75 78.008 -1.640 3.353 1.00 0.00 H new ATOM 1223 N HIS A 76 77.335 -4.542 -0.448 1.00 0.00 N ATOM 1224 CA HIS A 76 76.797 -5.919 -0.596 1.00 0.00 C ATOM 1225 C HIS A 76 77.852 -6.938 -0.155 1.00 0.00 C ATOM 1226 O HIS A 76 79.040 -6.713 -0.271 1.00 0.00 O ATOM 1227 CB HIS A 76 76.437 -6.170 -2.063 1.00 0.00 C ATOM 1228 CG HIS A 76 75.420 -5.158 -2.515 1.00 0.00 C ATOM 1229 ND1 HIS A 76 75.699 -4.219 -3.496 1.00 0.00 N ATOM 1230 CD2 HIS A 76 74.122 -4.927 -2.133 1.00 0.00 C ATOM 1231 CE1 HIS A 76 74.593 -3.472 -3.669 1.00 0.00 C ATOM 1232 NE2 HIS A 76 73.601 -3.862 -2.863 1.00 0.00 N ATOM 0 H HIS A 76 77.443 -4.025 -1.321 1.00 0.00 H new ATOM 0 HA HIS A 76 75.908 -6.025 0.026 1.00 0.00 H new ATOM 0 HB2 HIS A 76 77.331 -6.104 -2.683 1.00 0.00 H new ATOM 0 HB3 HIS A 76 76.040 -7.178 -2.183 1.00 0.00 H new ATOM 0 HD2 HIS A 76 73.586 -5.486 -1.380 1.00 0.00 H new ATOM 0 HE1 HIS A 76 74.516 -2.657 -4.373 1.00 0.00 H new ATOM 0 HE2 HIS A 76 72.664 -3.465 -2.797 1.00 0.00 H new ATOM 1240 N TRP A 77 77.412 -8.057 0.345 1.00 0.00 N ATOM 1241 CA TRP A 77 78.344 -9.117 0.796 1.00 0.00 C ATOM 1242 C TRP A 77 79.332 -8.556 1.811 1.00 0.00 C ATOM 1243 O TRP A 77 78.944 -7.956 2.794 1.00 0.00 O ATOM 1244 CB TRP A 77 79.097 -9.686 -0.392 1.00 0.00 C ATOM 1245 CG TRP A 77 78.143 -10.304 -1.350 1.00 0.00 C ATOM 1246 CD1 TRP A 77 77.932 -9.865 -2.606 1.00 0.00 C ATOM 1247 CD2 TRP A 77 77.275 -11.459 -1.165 1.00 0.00 C ATOM 1248 NE1 TRP A 77 76.994 -10.671 -3.207 1.00 0.00 N ATOM 1249 CE2 TRP A 77 76.554 -11.670 -2.362 1.00 0.00 C ATOM 1250 CE3 TRP A 77 77.045 -12.335 -0.089 1.00 0.00 C ATOM 1251 CZ2 TRP A 77 75.636 -12.711 -2.490 1.00 0.00 C ATOM 1252 CZ3 TRP A 77 76.120 -13.386 -0.214 1.00 0.00 C ATOM 1253 CH2 TRP A 77 75.417 -13.573 -1.412 1.00 0.00 C ATOM 0 H TRP A 77 76.424 -8.283 0.461 1.00 0.00 H new ATOM 0 HA TRP A 77 77.766 -9.911 1.268 1.00 0.00 H new ATOM 0 HB2 TRP A 77 79.662 -8.896 -0.887 1.00 0.00 H new ATOM 0 HB3 TRP A 77 79.818 -10.430 -0.054 1.00 0.00 H new ATOM 0 HD1 TRP A 77 78.420 -9.018 -3.066 1.00 0.00 H new ATOM 0 HE1 TRP A 77 76.663 -10.546 -4.164 1.00 0.00 H new ATOM 0 HE3 TRP A 77 77.582 -12.199 0.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 75.098 -12.850 -3.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 75.950 -14.053 0.618 1.00 0.00 H new ATOM 0 HH2 TRP A 77 74.707 -14.382 -1.502 1.00 0.00 H new ATOM 1264 N THR A 78 80.610 -8.774 1.617 1.00 0.00 N ATOM 1265 CA THR A 78 81.583 -8.262 2.642 1.00 0.00 C ATOM 1266 C THR A 78 82.999 -8.047 2.070 1.00 0.00 C ATOM 1267 O THR A 78 83.231 -8.015 0.885 1.00 0.00 O ATOM 1268 CB THR A 78 81.622 -9.297 3.800 1.00 0.00 C ATOM 1269 OG1 THR A 78 80.636 -10.289 3.554 1.00 0.00 O ATOM 1270 CG2 THR A 78 81.336 -8.650 5.166 1.00 0.00 C ATOM 0 H THR A 78 81.016 -9.267 0.822 1.00 0.00 H new ATOM 0 HA THR A 78 81.249 -7.284 2.989 1.00 0.00 H new ATOM 0 HB THR A 78 82.623 -9.726 3.834 1.00 0.00 H new ATOM 0 HG1 THR A 78 79.794 -10.026 3.980 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.374 -9.412 5.945 1.00 0.00 H new ATOM 0 HG22 THR A 78 82.085 -7.885 5.370 1.00 0.00 H new ATOM 0 HG23 THR A 78 80.346 -8.194 5.153 1.00 0.00 H new ATOM 1278 N LEU A 79 83.950 -7.929 2.956 1.00 0.00 N ATOM 1279 CA LEU A 79 85.375 -7.753 2.549 1.00 0.00 C ATOM 1280 C LEU A 79 85.818 -9.069 1.929 1.00 0.00 C ATOM 1281 O LEU A 79 86.275 -9.142 0.805 1.00 0.00 O ATOM 1282 CB LEU A 79 86.237 -7.519 3.796 1.00 0.00 C ATOM 1283 CG LEU A 79 86.032 -6.114 4.375 1.00 0.00 C ATOM 1284 CD1 LEU A 79 84.547 -5.858 4.613 1.00 0.00 C ATOM 1285 CD2 LEU A 79 86.776 -6.016 5.715 1.00 0.00 C ATOM 0 H LEU A 79 83.797 -7.947 3.964 1.00 0.00 H new ATOM 0 HA LEU A 79 85.478 -6.912 1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.991 -8.264 4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 79 87.288 -7.658 3.543 1.00 0.00 H new ATOM 0 HG LEU A 79 86.416 -5.375 3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 79 84.412 -4.858 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 79 84.008 -5.938 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 79 84.159 -6.595 5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 79 86.637 -5.020 6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 79 86.381 -6.761 6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 79 87.839 -6.197 5.555 1.00 0.00 H new ATOM 1297 N ASP A 80 85.668 -10.112 2.694 1.00 0.00 N ATOM 1298 CA ASP A 80 86.048 -11.473 2.240 1.00 0.00 C ATOM 1299 C ASP A 80 85.558 -11.724 0.821 1.00 0.00 C ATOM 1300 O ASP A 80 86.275 -12.236 -0.015 1.00 0.00 O ATOM 1301 CB ASP A 80 85.373 -12.476 3.162 1.00 0.00 C ATOM 1302 CG ASP A 80 85.911 -13.881 2.887 1.00 0.00 C ATOM 1303 OD1 ASP A 80 85.293 -14.588 2.108 1.00 0.00 O ATOM 1304 OD2 ASP A 80 86.932 -14.225 3.458 1.00 0.00 O ATOM 0 H ASP A 80 85.288 -10.074 3.640 1.00 0.00 H new ATOM 0 HA ASP A 80 87.133 -11.571 2.261 1.00 0.00 H new ATOM 0 HB2 ASP A 80 85.553 -12.205 4.202 1.00 0.00 H new ATOM 0 HB3 ASP A 80 84.294 -12.454 3.010 1.00 0.00 H new ATOM 1309 N LYS A 81 84.333 -11.390 0.549 1.00 0.00 N ATOM 1310 CA LYS A 81 83.793 -11.635 -0.804 1.00 0.00 C ATOM 1311 C LYS A 81 84.667 -10.896 -1.816 1.00 0.00 C ATOM 1312 O LYS A 81 84.832 -11.326 -2.941 1.00 0.00 O ATOM 1313 CB LYS A 81 82.296 -11.216 -0.818 1.00 0.00 C ATOM 1314 CG LYS A 81 81.934 -10.288 -1.996 1.00 0.00 C ATOM 1315 CD LYS A 81 82.254 -8.841 -1.637 1.00 0.00 C ATOM 1316 CE LYS A 81 81.700 -7.901 -2.709 1.00 0.00 C ATOM 1317 NZ LYS A 81 82.384 -6.581 -2.612 1.00 0.00 N ATOM 0 H LYS A 81 83.684 -10.958 1.207 1.00 0.00 H new ATOM 0 HA LYS A 81 83.822 -12.688 -1.084 1.00 0.00 H new ATOM 0 HB2 LYS A 81 81.676 -12.111 -0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 81 82.058 -10.712 0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 81 82.491 -10.582 -2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 81 80.875 -10.386 -2.235 1.00 0.00 H new ATOM 0 HD2 LYS A 81 81.822 -8.594 -0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 81 83.332 -8.710 -1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 81 81.853 -8.330 -3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 81 80.625 -7.776 -2.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 81.918 -5.901 -3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 82.332 -6.234 -1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 83.381 -6.685 -2.889 1.00 0.00 H new ATOM 1331 N TYR A 82 85.229 -9.792 -1.427 1.00 0.00 N ATOM 1332 CA TYR A 82 86.094 -9.027 -2.363 1.00 0.00 C ATOM 1333 C TYR A 82 87.511 -9.613 -2.299 1.00 0.00 C ATOM 1334 O TYR A 82 88.139 -9.860 -3.309 1.00 0.00 O ATOM 1335 CB TYR A 82 86.091 -7.541 -1.940 1.00 0.00 C ATOM 1336 CG TYR A 82 86.113 -6.628 -3.153 1.00 0.00 C ATOM 1337 CD1 TYR A 82 86.866 -6.968 -4.286 1.00 0.00 C ATOM 1338 CD2 TYR A 82 85.375 -5.437 -3.140 1.00 0.00 C ATOM 1339 CE1 TYR A 82 86.880 -6.119 -5.399 1.00 0.00 C ATOM 1340 CE2 TYR A 82 85.390 -4.589 -4.253 1.00 0.00 C ATOM 1341 CZ TYR A 82 86.142 -4.930 -5.382 1.00 0.00 C ATOM 1342 OH TYR A 82 86.156 -4.094 -6.480 1.00 0.00 O ATOM 0 H TYR A 82 85.127 -9.383 -0.498 1.00 0.00 H new ATOM 0 HA TYR A 82 85.726 -9.098 -3.387 1.00 0.00 H new ATOM 0 HB2 TYR A 82 85.205 -7.332 -1.340 1.00 0.00 H new ATOM 0 HB3 TYR A 82 86.958 -7.337 -1.311 1.00 0.00 H new ATOM 0 HD1 TYR A 82 87.436 -7.886 -4.300 1.00 0.00 H new ATOM 0 HD2 TYR A 82 84.793 -5.173 -2.269 1.00 0.00 H new ATOM 0 HE1 TYR A 82 87.460 -6.382 -6.271 1.00 0.00 H new ATOM 0 HE2 TYR A 82 84.821 -3.671 -4.240 1.00 0.00 H new ATOM 0 HH TYR A 82 85.591 -3.313 -6.304 1.00 0.00 H new ATOM 1352 N GLY A 83 88.011 -9.844 -1.108 1.00 0.00 N ATOM 1353 CA GLY A 83 89.388 -10.421 -0.951 1.00 0.00 C ATOM 1354 C GLY A 83 90.262 -9.405 -0.222 1.00 0.00 C ATOM 1355 O GLY A 83 91.473 -9.507 -0.194 1.00 0.00 O ATOM 0 H GLY A 83 87.523 -9.657 -0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.345 -11.355 -0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 83 89.814 -10.655 -1.927 1.00 0.00 H new ATOM 1359 N ILE A 84 89.645 -8.423 0.365 1.00 0.00 N ATOM 1360 CA ILE A 84 90.404 -7.378 1.098 1.00 0.00 C ATOM 1361 C ILE A 84 90.950 -7.952 2.405 1.00 0.00 C ATOM 1362 O ILE A 84 90.490 -8.965 2.891 1.00 0.00 O ATOM 1363 CB ILE A 84 89.463 -6.217 1.406 1.00 0.00 C ATOM 1364 CG1 ILE A 84 88.988 -5.568 0.092 1.00 0.00 C ATOM 1365 CG2 ILE A 84 90.189 -5.182 2.262 1.00 0.00 C ATOM 1366 CD1 ILE A 84 87.634 -4.889 0.312 1.00 0.00 C ATOM 0 H ILE A 84 88.633 -8.298 0.368 1.00 0.00 H new ATOM 0 HA ILE A 84 91.239 -7.033 0.488 1.00 0.00 H new ATOM 0 HB ILE A 84 88.597 -6.591 1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 84 89.721 -4.837 -0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 84 88.904 -6.324 -0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 84 89.515 -4.354 2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 84 90.512 -5.644 3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 84 91.059 -4.809 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 84 87.301 -4.431 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 84 86.903 -5.631 0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 84 87.733 -4.121 1.079 1.00 0.00 H new ATOM 1378 N GLN A 85 91.925 -7.304 2.976 1.00 0.00 N ATOM 1379 CA GLN A 85 92.509 -7.789 4.255 1.00 0.00 C ATOM 1380 C GLN A 85 93.451 -6.711 4.797 1.00 0.00 C ATOM 1381 O GLN A 85 93.519 -5.613 4.282 1.00 0.00 O ATOM 1382 CB GLN A 85 93.292 -9.100 4.011 1.00 0.00 C ATOM 1383 CG GLN A 85 93.208 -10.021 5.249 1.00 0.00 C ATOM 1384 CD GLN A 85 91.967 -10.908 5.158 1.00 0.00 C ATOM 1385 OE1 GLN A 85 92.029 -12.096 5.408 1.00 0.00 O ATOM 1386 NE2 GLN A 85 90.837 -10.371 4.810 1.00 0.00 N ATOM 0 H GLN A 85 92.346 -6.451 2.607 1.00 0.00 H new ATOM 0 HA GLN A 85 91.716 -7.987 4.976 1.00 0.00 H new ATOM 0 HB2 GLN A 85 92.887 -9.615 3.140 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.335 -8.872 3.791 1.00 0.00 H new ATOM 0 HG2 GLN A 85 94.103 -10.640 5.314 1.00 0.00 H new ATOM 0 HG3 GLN A 85 93.170 -9.420 6.158 1.00 0.00 H new ATOM 0 HE21 GLN A 85 90.789 -9.374 4.601 1.00 0.00 H new ATOM 0 HE22 GLN A 85 89.997 -10.946 4.746 1.00 0.00 H new ATOM 1395 N ALA A 86 94.177 -7.019 5.826 1.00 0.00 N ATOM 1396 CA ALA A 86 95.112 -6.020 6.403 1.00 0.00 C ATOM 1397 C ALA A 86 96.242 -5.736 5.421 1.00 0.00 C ATOM 1398 O ALA A 86 96.905 -4.721 5.502 1.00 0.00 O ATOM 1399 CB ALA A 86 95.693 -6.582 7.700 1.00 0.00 C ATOM 0 H ALA A 86 94.165 -7.924 6.297 1.00 0.00 H new ATOM 0 HA ALA A 86 94.577 -5.092 6.603 1.00 0.00 H new ATOM 0 HB1 ALA A 86 96.382 -5.857 8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 86 94.885 -6.782 8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 86 96.227 -7.508 7.488 1.00 0.00 H new ATOM 1405 N ASP A 87 96.470 -6.613 4.492 1.00 0.00 N ATOM 1406 CA ASP A 87 97.556 -6.369 3.515 1.00 0.00 C ATOM 1407 C ASP A 87 97.032 -5.404 2.463 1.00 0.00 C ATOM 1408 O ASP A 87 97.780 -4.731 1.782 1.00 0.00 O ATOM 1409 CB ASP A 87 97.958 -7.689 2.859 1.00 0.00 C ATOM 1410 CG ASP A 87 96.774 -8.248 2.068 1.00 0.00 C ATOM 1411 OD1 ASP A 87 96.985 -9.169 1.296 1.00 0.00 O ATOM 1412 OD2 ASP A 87 95.677 -7.746 2.246 1.00 0.00 O ATOM 0 H ASP A 87 95.954 -7.484 4.367 1.00 0.00 H new ATOM 0 HA ASP A 87 98.430 -5.946 4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 87 98.810 -7.534 2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 87 98.271 -8.404 3.619 1.00 0.00 H new ATOM 1417 N ALA A 88 95.736 -5.325 2.345 1.00 0.00 N ATOM 1418 CA ALA A 88 95.115 -4.401 1.365 1.00 0.00 C ATOM 1419 C ALA A 88 94.588 -3.200 2.126 1.00 0.00 C ATOM 1420 O ALA A 88 93.663 -3.338 2.887 1.00 0.00 O ATOM 1421 CB ALA A 88 93.955 -5.130 0.696 1.00 0.00 C ATOM 0 H ALA A 88 95.074 -5.871 2.896 1.00 0.00 H new ATOM 0 HA ALA A 88 95.833 -4.079 0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 88 93.481 -4.470 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 88 94.328 -6.020 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 88 93.225 -5.422 1.451 1.00 0.00 H new ATOM 1427 N LYS A 89 95.150 -2.026 1.949 1.00 0.00 N ATOM 1428 CA LYS A 89 94.634 -0.846 2.695 1.00 0.00 C ATOM 1429 C LYS A 89 93.695 -0.035 1.816 1.00 0.00 C ATOM 1430 O LYS A 89 93.504 -0.319 0.650 1.00 0.00 O ATOM 1431 CB LYS A 89 95.769 0.035 3.171 1.00 0.00 C ATOM 1432 CG LYS A 89 96.753 0.287 2.052 1.00 0.00 C ATOM 1433 CD LYS A 89 97.942 1.075 2.612 1.00 0.00 C ATOM 1434 CE LYS A 89 99.002 0.113 3.174 1.00 0.00 C ATOM 1435 NZ LYS A 89 100.027 -0.158 2.126 1.00 0.00 N ATOM 0 H LYS A 89 95.936 -1.841 1.325 1.00 0.00 H new ATOM 0 HA LYS A 89 94.089 -1.213 3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 89 95.373 0.983 3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 89 96.278 -0.440 4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 89 97.092 -0.658 1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 89 96.275 0.845 1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 89 98.380 1.692 1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 89 97.602 1.751 3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 89 99.473 0.548 4.056 1.00 0.00 H new ATOM 0 HE3 LYS A 89 98.533 -0.819 3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 100.746 -0.808 2.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 99.570 -0.589 1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 100.481 0.735 1.846 1.00 0.00 H new ATOM 1449 N LEU A 90 93.092 0.962 2.393 1.00 0.00 N ATOM 1450 CA LEU A 90 92.119 1.817 1.649 1.00 0.00 C ATOM 1451 C LEU A 90 92.348 3.282 2.016 1.00 0.00 C ATOM 1452 O LEU A 90 93.205 3.618 2.799 1.00 0.00 O ATOM 1453 CB LEU A 90 90.662 1.424 1.998 1.00 0.00 C ATOM 1454 CG LEU A 90 90.568 -0.065 2.360 1.00 0.00 C ATOM 1455 CD1 LEU A 90 89.151 -0.366 2.870 1.00 0.00 C ATOM 1456 CD2 LEU A 90 90.901 -0.964 1.133 1.00 0.00 C ATOM 0 H LEU A 90 93.232 1.229 3.367 1.00 0.00 H new ATOM 0 HA LEU A 90 92.274 1.670 0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 90 90.308 2.028 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 90 90.010 1.638 1.151 1.00 0.00 H new ATOM 0 HG LEU A 90 91.297 -0.286 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 90 89.074 -1.422 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 90 88.945 0.241 3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 90 88.426 -0.131 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 90 90.826 -2.013 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 90 90.196 -0.757 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 90 91.914 -0.753 0.791 1.00 0.00 H new ATOM 1468 N GLN A 91 91.574 4.146 1.437 1.00 0.00 N ATOM 1469 CA GLN A 91 91.669 5.602 1.723 1.00 0.00 C ATOM 1470 C GLN A 91 90.247 6.059 2.029 1.00 0.00 C ATOM 1471 O GLN A 91 89.313 5.329 1.788 1.00 0.00 O ATOM 1472 CB GLN A 91 92.174 6.362 0.486 1.00 0.00 C ATOM 1473 CG GLN A 91 93.459 5.715 -0.079 1.00 0.00 C ATOM 1474 CD GLN A 91 93.555 5.977 -1.577 1.00 0.00 C ATOM 1475 OE1 GLN A 91 94.347 5.366 -2.267 1.00 0.00 O ATOM 1476 NE2 GLN A 91 92.779 6.871 -2.107 1.00 0.00 N ATOM 0 H GLN A 91 90.856 3.898 0.756 1.00 0.00 H new ATOM 0 HA GLN A 91 92.359 5.793 2.545 1.00 0.00 H new ATOM 0 HB2 GLN A 91 91.400 6.370 -0.281 1.00 0.00 H new ATOM 0 HB3 GLN A 91 92.372 7.401 0.750 1.00 0.00 H new ATOM 0 HG2 GLN A 91 94.334 6.122 0.427 1.00 0.00 H new ATOM 0 HG3 GLN A 91 93.451 4.642 0.112 1.00 0.00 H new ATOM 0 HE21 GLN A 91 92.116 7.381 -1.524 1.00 0.00 H new ATOM 0 HE22 GLN A 91 92.832 7.064 -3.107 1.00 0.00 H new ATOM 1485 N PHE A 92 90.059 7.248 2.536 1.00 0.00 N ATOM 1486 CA PHE A 92 88.666 7.733 2.825 1.00 0.00 C ATOM 1487 C PHE A 92 88.534 9.128 2.234 1.00 0.00 C ATOM 1488 O PHE A 92 89.011 10.103 2.779 1.00 0.00 O ATOM 1489 CB PHE A 92 88.428 7.719 4.344 1.00 0.00 C ATOM 1490 CG PHE A 92 87.058 8.266 4.731 1.00 0.00 C ATOM 1491 CD1 PHE A 92 86.953 9.134 5.829 1.00 0.00 C ATOM 1492 CD2 PHE A 92 85.892 7.893 4.032 1.00 0.00 C ATOM 1493 CE1 PHE A 92 85.706 9.625 6.224 1.00 0.00 C ATOM 1494 CE2 PHE A 92 84.647 8.392 4.431 1.00 0.00 C ATOM 1495 CZ PHE A 92 84.553 9.256 5.524 1.00 0.00 C ATOM 0 H PHE A 92 90.803 7.907 2.764 1.00 0.00 H new ATOM 0 HA PHE A 92 87.911 7.088 2.376 1.00 0.00 H new ATOM 0 HB2 PHE A 92 88.524 6.698 4.713 1.00 0.00 H new ATOM 0 HB3 PHE A 92 89.202 8.310 4.834 1.00 0.00 H new ATOM 0 HD1 PHE A 92 87.841 9.424 6.371 1.00 0.00 H new ATOM 0 HD2 PHE A 92 85.960 7.222 3.188 1.00 0.00 H new ATOM 0 HE1 PHE A 92 85.632 10.291 7.071 1.00 0.00 H new ATOM 0 HE2 PHE A 92 83.756 8.108 3.892 1.00 0.00 H new ATOM 0 HZ PHE A 92 83.590 9.639 5.829 1.00 0.00 H new ATOM 1505 N THR A 93 87.935 9.210 1.075 1.00 0.00 N ATOM 1506 CA THR A 93 87.819 10.528 0.381 1.00 0.00 C ATOM 1507 C THR A 93 86.614 10.536 -0.574 1.00 0.00 C ATOM 1508 O THR A 93 86.194 9.501 -1.052 1.00 0.00 O ATOM 1509 CB THR A 93 89.101 10.725 -0.441 1.00 0.00 C ATOM 1510 OG1 THR A 93 88.850 11.612 -1.522 1.00 0.00 O ATOM 1511 CG2 THR A 93 89.565 9.373 -1.001 1.00 0.00 C ATOM 0 H THR A 93 87.521 8.421 0.578 1.00 0.00 H new ATOM 0 HA THR A 93 87.682 11.322 1.115 1.00 0.00 H new ATOM 0 HB THR A 93 89.874 11.144 0.203 1.00 0.00 H new ATOM 0 HG1 THR A 93 89.672 11.735 -2.042 1.00 0.00 H new ATOM 0 HG21 THR A 93 90.475 9.514 -1.584 1.00 0.00 H new ATOM 0 HG22 THR A 93 89.764 8.687 -0.178 1.00 0.00 H new ATOM 0 HG23 THR A 93 88.786 8.957 -1.639 1.00 0.00 H new ATOM 1519 N PRO A 94 86.077 11.705 -0.873 1.00 0.00 N ATOM 1520 CA PRO A 94 84.928 11.861 -1.809 1.00 0.00 C ATOM 1521 C PRO A 94 84.915 10.798 -2.914 1.00 0.00 C ATOM 1522 O PRO A 94 85.870 10.747 -3.672 1.00 0.00 O ATOM 1523 CB PRO A 94 85.175 13.250 -2.393 1.00 0.00 C ATOM 1524 CG PRO A 94 85.781 14.036 -1.264 1.00 0.00 C ATOM 1525 CD PRO A 94 86.496 13.020 -0.346 1.00 0.00 C ATOM 0 HA PRO A 94 83.964 11.744 -1.314 1.00 0.00 H new ATOM 0 HB2 PRO A 94 85.847 13.206 -3.250 1.00 0.00 H new ATOM 0 HB3 PRO A 94 84.247 13.705 -2.739 1.00 0.00 H new ATOM 0 HG2 PRO A 94 86.485 14.777 -1.643 1.00 0.00 H new ATOM 0 HG3 PRO A 94 85.012 14.579 -0.715 1.00 0.00 H new ATOM 0 HD2 PRO A 94 87.579 13.139 -0.386 1.00 0.00 H new ATOM 0 HD3 PRO A 94 86.200 13.145 0.695 1.00 0.00 H new TER 1533 PRO A 94 ATOM 1534 N TYR B 541 49.657 33.710 14.817 1.00 0.00 N ATOM 1535 CA TYR B 541 49.180 34.780 15.739 1.00 0.00 C ATOM 1536 C TYR B 541 48.937 36.066 14.944 1.00 0.00 C ATOM 1537 O TYR B 541 47.813 36.430 14.660 1.00 0.00 O ATOM 1538 CB TYR B 541 50.242 35.038 16.814 1.00 0.00 C ATOM 1539 CG TYR B 541 50.198 33.938 17.850 1.00 0.00 C ATOM 1540 CD1 TYR B 541 49.271 34.000 18.897 1.00 0.00 C ATOM 1541 CD2 TYR B 541 51.087 32.860 17.766 1.00 0.00 C ATOM 1542 CE1 TYR B 541 49.231 32.984 19.858 1.00 0.00 C ATOM 1543 CE2 TYR B 541 51.047 31.843 18.728 1.00 0.00 C ATOM 1544 CZ TYR B 541 50.119 31.905 19.774 1.00 0.00 C ATOM 1545 OH TYR B 541 50.080 30.903 20.722 1.00 0.00 O ATOM 0 HA TYR B 541 48.251 34.464 16.214 1.00 0.00 H new ATOM 0 HB2 TYR B 541 51.231 35.082 16.358 1.00 0.00 H new ATOM 0 HB3 TYR B 541 50.066 36.004 17.288 1.00 0.00 H new ATOM 0 HD1 TYR B 541 48.586 34.833 18.963 1.00 0.00 H new ATOM 0 HD2 TYR B 541 51.804 32.813 16.959 1.00 0.00 H new ATOM 0 HE1 TYR B 541 48.515 33.032 20.665 1.00 0.00 H new ATOM 0 HE2 TYR B 541 51.732 31.011 18.663 1.00 0.00 H new ATOM 0 HH TYR B 541 50.762 30.230 20.515 1.00 0.00 H new ATOM 1555 N HIS B 542 49.984 36.759 14.586 1.00 0.00 N ATOM 1556 CA HIS B 542 49.819 38.019 13.818 1.00 0.00 C ATOM 1557 C HIS B 542 49.481 37.693 12.361 1.00 0.00 C ATOM 1558 O HIS B 542 48.332 37.694 11.965 1.00 0.00 O ATOM 1559 CB HIS B 542 51.129 38.811 13.875 1.00 0.00 C ATOM 1560 CG HIS B 542 51.250 39.502 15.206 1.00 0.00 C ATOM 1561 ND1 HIS B 542 50.326 39.318 16.222 1.00 0.00 N ATOM 1562 CD2 HIS B 542 52.182 40.381 15.700 1.00 0.00 C ATOM 1563 CE1 HIS B 542 50.718 40.071 17.266 1.00 0.00 C ATOM 1564 NE2 HIS B 542 51.843 40.739 17.001 1.00 0.00 N ATOM 0 H HIS B 542 50.949 36.503 14.795 1.00 0.00 H new ATOM 0 HA HIS B 542 49.011 38.610 14.249 1.00 0.00 H new ATOM 0 HB2 HIS B 542 51.976 38.142 13.724 1.00 0.00 H new ATOM 0 HB3 HIS B 542 51.156 39.545 13.070 1.00 0.00 H new ATOM 0 HD2 HIS B 542 53.046 40.740 15.161 1.00 0.00 H new ATOM 0 HE1 HIS B 542 50.187 40.128 18.205 1.00 0.00 H new ATOM 0 HE2 HIS B 542 52.346 41.375 17.620 1.00 0.00 H new ATOM 1572 N GLU B 543 50.482 37.422 11.559 1.00 0.00 N ATOM 1573 CA GLU B 543 50.243 37.103 10.116 1.00 0.00 C ATOM 1574 C GLU B 543 51.067 35.877 9.720 1.00 0.00 C ATOM 1575 O GLU B 543 51.054 35.461 8.580 1.00 0.00 O ATOM 1576 CB GLU B 543 50.679 38.294 9.260 1.00 0.00 C ATOM 1577 CG GLU B 543 52.070 38.761 9.706 1.00 0.00 C ATOM 1578 CD GLU B 543 52.688 39.648 8.623 1.00 0.00 C ATOM 1579 OE1 GLU B 543 53.815 40.077 8.807 1.00 0.00 O ATOM 1580 OE2 GLU B 543 52.023 39.883 7.627 1.00 0.00 O ATOM 0 H GLU B 543 51.461 37.408 11.844 1.00 0.00 H new ATOM 0 HA GLU B 543 49.184 36.899 9.959 1.00 0.00 H new ATOM 0 HB2 GLU B 543 50.699 38.011 8.207 1.00 0.00 H new ATOM 0 HB3 GLU B 543 49.961 39.108 9.358 1.00 0.00 H new ATOM 0 HG2 GLU B 543 51.996 39.313 10.643 1.00 0.00 H new ATOM 0 HG3 GLU B 543 52.711 37.899 9.893 1.00 0.00 H new ATOM 1587 N ARG B 544 51.789 35.307 10.654 1.00 0.00 N ATOM 1588 CA ARG B 544 52.635 34.107 10.354 1.00 0.00 C ATOM 1589 C ARG B 544 51.910 33.172 9.377 1.00 0.00 C ATOM 1590 O ARG B 544 50.726 32.930 9.503 1.00 0.00 O ATOM 1591 CB ARG B 544 52.931 33.355 11.656 1.00 0.00 C ATOM 1592 CG ARG B 544 53.981 34.123 12.470 1.00 0.00 C ATOM 1593 CD ARG B 544 53.403 35.463 12.936 1.00 0.00 C ATOM 1594 NE ARG B 544 54.214 36.001 14.081 1.00 0.00 N ATOM 1595 CZ ARG B 544 54.341 35.345 15.204 1.00 0.00 C ATOM 1596 NH1 ARG B 544 55.138 35.799 16.133 1.00 0.00 N ATOM 1597 NH2 ARG B 544 53.643 34.265 15.423 1.00 0.00 N ATOM 0 H ARG B 544 51.829 35.625 11.622 1.00 0.00 H new ATOM 0 HA ARG B 544 53.568 34.438 9.897 1.00 0.00 H new ATOM 0 HB2 ARG B 544 52.016 33.243 12.238 1.00 0.00 H new ATOM 0 HB3 ARG B 544 53.292 32.351 11.433 1.00 0.00 H new ATOM 0 HG2 ARG B 544 54.290 33.531 13.332 1.00 0.00 H new ATOM 0 HG3 ARG B 544 54.871 34.292 11.864 1.00 0.00 H new ATOM 0 HD2 ARG B 544 53.405 36.176 12.111 1.00 0.00 H new ATOM 0 HD3 ARG B 544 52.365 35.334 13.243 1.00 0.00 H new ATOM 0 HE ARG B 544 54.678 36.903 13.979 1.00 0.00 H new ATOM 0 HH11 ARG B 544 55.659 36.663 15.981 1.00 0.00 H new ATOM 0 HH12 ARG B 544 55.240 35.290 17.011 1.00 0.00 H new ATOM 0 HH21 ARG B 544 52.992 33.926 14.715 1.00 0.00 H new ATOM 0 HH22 ARG B 544 53.748 33.759 16.302 1.00 0.00 H new ATOM 1611 N ARG B 545 52.615 32.665 8.392 1.00 0.00 N ATOM 1612 CA ARG B 545 51.984 31.762 7.378 1.00 0.00 C ATOM 1613 C ARG B 545 52.582 30.349 7.467 1.00 0.00 C ATOM 1614 O ARG B 545 51.873 29.365 7.522 1.00 0.00 O ATOM 1615 CB ARG B 545 52.257 32.338 5.972 1.00 0.00 C ATOM 1616 CG ARG B 545 53.606 33.097 5.954 1.00 0.00 C ATOM 1617 CD ARG B 545 53.399 34.576 6.315 1.00 0.00 C ATOM 1618 NE ARG B 545 53.044 35.339 5.085 1.00 0.00 N ATOM 1619 CZ ARG B 545 52.542 36.540 5.183 1.00 0.00 C ATOM 1620 NH1 ARG B 545 52.238 37.209 4.105 1.00 0.00 N ATOM 1621 NH2 ARG B 545 52.343 37.071 6.358 1.00 0.00 N ATOM 0 H ARG B 545 53.609 32.841 8.247 1.00 0.00 H new ATOM 0 HA ARG B 545 50.913 31.700 7.569 1.00 0.00 H new ATOM 0 HB2 ARG B 545 52.276 31.532 5.239 1.00 0.00 H new ATOM 0 HB3 ARG B 545 51.449 33.011 5.684 1.00 0.00 H new ATOM 0 HG2 ARG B 545 54.297 32.638 6.661 1.00 0.00 H new ATOM 0 HG3 ARG B 545 54.061 33.018 4.966 1.00 0.00 H new ATOM 0 HD2 ARG B 545 52.608 34.673 7.058 1.00 0.00 H new ATOM 0 HD3 ARG B 545 54.306 34.984 6.760 1.00 0.00 H new ATOM 0 HE ARG B 545 53.193 34.922 4.166 1.00 0.00 H new ATOM 0 HH11 ARG B 545 52.393 36.794 3.186 1.00 0.00 H new ATOM 0 HH12 ARG B 545 51.846 38.147 4.181 1.00 0.00 H new ATOM 0 HH21 ARG B 545 52.580 36.548 7.201 1.00 0.00 H new ATOM 0 HH22 ARG B 545 51.951 38.010 6.434 1.00 0.00 H new ATOM 1635 N GLY B 546 53.878 30.249 7.441 1.00 0.00 N ATOM 1636 CA GLY B 546 54.537 28.912 7.479 1.00 0.00 C ATOM 1637 C GLY B 546 54.106 28.108 8.708 1.00 0.00 C ATOM 1638 O GLY B 546 52.958 27.743 8.864 1.00 0.00 O ATOM 0 H GLY B 546 54.518 31.042 7.395 1.00 0.00 H new ATOM 0 HA2 GLY B 546 54.288 28.357 6.574 1.00 0.00 H new ATOM 0 HA3 GLY B 546 55.620 29.039 7.488 1.00 0.00 H new ATOM 1642 N SER B 547 55.041 27.816 9.566 1.00 0.00 N ATOM 1643 CA SER B 547 54.747 27.018 10.786 1.00 0.00 C ATOM 1644 C SER B 547 55.976 27.106 11.681 1.00 0.00 C ATOM 1645 O SER B 547 57.057 26.752 11.278 1.00 0.00 O ATOM 1646 CB SER B 547 54.496 25.560 10.390 1.00 0.00 C ATOM 1647 OG SER B 547 53.118 25.388 10.085 1.00 0.00 O ATOM 0 H SER B 547 56.015 28.103 9.471 1.00 0.00 H new ATOM 0 HA SER B 547 53.864 27.394 11.302 1.00 0.00 H new ATOM 0 HB2 SER B 547 55.107 25.295 9.527 1.00 0.00 H new ATOM 0 HB3 SER B 547 54.786 24.895 11.203 1.00 0.00 H new ATOM 0 HG SER B 547 52.849 26.043 9.408 1.00 0.00 H new ATOM 1653 N LEU B 548 55.842 27.608 12.867 1.00 0.00 N ATOM 1654 CA LEU B 548 57.038 27.746 13.736 1.00 0.00 C ATOM 1655 C LEU B 548 57.735 26.405 13.924 1.00 0.00 C ATOM 1656 O LEU B 548 57.112 25.409 14.211 1.00 0.00 O ATOM 1657 CB LEU B 548 56.619 28.324 15.105 1.00 0.00 C ATOM 1658 CG LEU B 548 56.871 29.843 15.133 1.00 0.00 C ATOM 1659 CD1 LEU B 548 55.881 30.548 14.205 1.00 0.00 C ATOM 1660 CD2 LEU B 548 56.704 30.377 16.550 1.00 0.00 C ATOM 0 H LEU B 548 54.963 27.928 13.274 1.00 0.00 H new ATOM 0 HA LEU B 548 57.741 28.426 13.254 1.00 0.00 H new ATOM 0 HB2 LEU B 548 55.564 28.118 15.289 1.00 0.00 H new ATOM 0 HB3 LEU B 548 57.182 27.839 15.902 1.00 0.00 H new ATOM 0 HG LEU B 548 57.889 30.036 14.796 1.00 0.00 H new ATOM 0 HD11 LEU B 548 56.063 31.622 14.228 1.00 0.00 H new ATOM 0 HD12 LEU B 548 56.011 30.180 13.187 1.00 0.00 H new ATOM 0 HD13 LEU B 548 54.863 30.345 14.537 1.00 0.00 H new ATOM 0 HD21 LEU B 548 56.885 31.452 16.557 1.00 0.00 H new ATOM 0 HD22 LEU B 548 55.690 30.177 16.897 1.00 0.00 H new ATOM 0 HD23 LEU B 548 57.417 29.885 17.211 1.00 0.00 H new ATOM 1672 N CYS B 549 59.041 26.393 13.810 1.00 0.00 N ATOM 1673 CA CYS B 549 59.791 25.132 14.022 1.00 0.00 C ATOM 1674 C CYS B 549 60.013 25.020 15.521 1.00 0.00 C ATOM 1675 O CYS B 549 60.822 25.711 16.104 1.00 0.00 O ATOM 1676 CB CYS B 549 61.136 25.228 13.283 1.00 0.00 C ATOM 1677 SG CYS B 549 62.375 24.106 14.008 1.00 0.00 S ATOM 0 H CYS B 549 59.613 27.205 13.579 1.00 0.00 H new ATOM 0 HA CYS B 549 59.256 24.260 13.645 1.00 0.00 H new ATOM 0 HB2 CYS B 549 60.993 24.983 12.231 1.00 0.00 H new ATOM 0 HB3 CYS B 549 61.503 26.253 13.324 1.00 0.00 H new ATOM 1682 N SER B 550 59.262 24.169 16.144 1.00 0.00 N ATOM 1683 CA SER B 550 59.365 24.008 17.614 1.00 0.00 C ATOM 1684 C SER B 550 60.819 23.836 18.014 1.00 0.00 C ATOM 1685 O SER B 550 61.540 23.009 17.491 1.00 0.00 O ATOM 1686 CB SER B 550 58.535 22.812 18.055 1.00 0.00 C ATOM 1687 OG SER B 550 58.982 22.369 19.330 1.00 0.00 O ATOM 0 H SER B 550 58.571 23.569 15.693 1.00 0.00 H new ATOM 0 HA SER B 550 58.979 24.900 18.108 1.00 0.00 H new ATOM 0 HB2 SER B 550 57.481 23.085 18.102 1.00 0.00 H new ATOM 0 HB3 SER B 550 58.623 22.006 17.327 1.00 0.00 H new ATOM 0 HG SER B 550 58.446 21.599 19.615 1.00 0.00 H new ATOM 1693 N GLY B 551 61.254 24.659 18.921 1.00 0.00 N ATOM 1694 CA GLY B 551 62.674 24.633 19.376 1.00 0.00 C ATOM 1695 C GLY B 551 63.321 25.889 18.829 1.00 0.00 C ATOM 1696 O GLY B 551 64.142 26.524 19.459 1.00 0.00 O ATOM 0 H GLY B 551 60.676 25.364 19.378 1.00 0.00 H new ATOM 0 HA2 GLY B 551 62.733 24.608 20.464 1.00 0.00 H new ATOM 0 HA3 GLY B 551 63.183 23.742 19.009 1.00 0.00 H new ATOM 1700 N CYS B 552 62.911 26.258 17.652 1.00 0.00 N ATOM 1701 CA CYS B 552 63.424 27.481 17.003 1.00 0.00 C ATOM 1702 C CYS B 552 62.343 28.550 17.132 1.00 0.00 C ATOM 1703 O CYS B 552 62.611 29.723 17.290 1.00 0.00 O ATOM 1704 CB CYS B 552 63.637 27.179 15.521 1.00 0.00 C ATOM 1705 SG CYS B 552 65.244 26.392 15.269 1.00 0.00 S ATOM 0 H CYS B 552 62.222 25.745 17.101 1.00 0.00 H new ATOM 0 HA CYS B 552 64.358 27.812 17.458 1.00 0.00 H new ATOM 0 HB2 CYS B 552 62.843 26.526 15.158 1.00 0.00 H new ATOM 0 HB3 CYS B 552 63.581 28.101 14.943 1.00 0.00 H new ATOM 1710 N GLN B 553 61.116 28.124 17.042 1.00 0.00 N ATOM 1711 CA GLN B 553 59.972 29.058 17.117 1.00 0.00 C ATOM 1712 C GLN B 553 60.125 30.145 16.071 1.00 0.00 C ATOM 1713 O GLN B 553 60.087 31.328 16.341 1.00 0.00 O ATOM 1714 CB GLN B 553 59.833 29.641 18.508 1.00 0.00 C ATOM 1715 CG GLN B 553 59.474 28.507 19.469 1.00 0.00 C ATOM 1716 CD GLN B 553 58.081 27.945 19.162 1.00 0.00 C ATOM 1717 OE1 GLN B 553 57.103 28.338 19.766 1.00 0.00 O ATOM 1718 NE2 GLN B 553 57.962 27.033 18.237 1.00 0.00 N ATOM 0 H GLN B 553 60.857 27.145 16.917 1.00 0.00 H new ATOM 0 HA GLN B 553 59.055 28.507 16.909 1.00 0.00 H new ATOM 0 HB2 GLN B 553 60.764 30.118 18.815 1.00 0.00 H new ATOM 0 HB3 GLN B 553 59.061 30.410 18.522 1.00 0.00 H new ATOM 0 HG2 GLN B 553 60.216 27.712 19.392 1.00 0.00 H new ATOM 0 HG3 GLN B 553 59.504 28.872 20.495 1.00 0.00 H new ATOM 0 HE21 GLN B 553 58.787 26.707 17.733 1.00 0.00 H new ATOM 0 HE22 GLN B 553 57.044 26.646 18.017 1.00 0.00 H new ATOM 1727 N LYS B 554 60.253 29.704 14.861 1.00 0.00 N ATOM 1728 CA LYS B 554 60.370 30.616 13.684 1.00 0.00 C ATOM 1729 C LYS B 554 59.557 29.977 12.538 1.00 0.00 C ATOM 1730 O LYS B 554 59.793 28.833 12.205 1.00 0.00 O ATOM 1731 CB LYS B 554 61.835 30.736 13.250 1.00 0.00 C ATOM 1732 CG LYS B 554 62.669 31.391 14.358 1.00 0.00 C ATOM 1733 CD LYS B 554 62.250 32.858 14.549 1.00 0.00 C ATOM 1734 CE LYS B 554 63.389 33.643 15.209 1.00 0.00 C ATOM 1735 NZ LYS B 554 63.001 35.078 15.323 1.00 0.00 N ATOM 0 H LYS B 554 60.283 28.713 14.623 1.00 0.00 H new ATOM 0 HA LYS B 554 60.001 31.611 13.934 1.00 0.00 H new ATOM 0 HB2 LYS B 554 62.235 29.748 13.021 1.00 0.00 H new ATOM 0 HB3 LYS B 554 61.903 31.327 12.337 1.00 0.00 H new ATOM 0 HG2 LYS B 554 62.538 30.844 15.292 1.00 0.00 H new ATOM 0 HG3 LYS B 554 63.728 31.339 14.104 1.00 0.00 H new ATOM 0 HD2 LYS B 554 62.001 33.303 13.586 1.00 0.00 H new ATOM 0 HD3 LYS B 554 61.354 32.912 15.167 1.00 0.00 H new ATOM 0 HE2 LYS B 554 63.603 33.233 16.196 1.00 0.00 H new ATOM 0 HE3 LYS B 554 64.301 33.547 14.619 1.00 0.00 H new ATOM 0 HZ1 LYS B 554 63.773 35.612 15.771 1.00 0.00 H new ATOM 0 HZ2 LYS B 554 62.817 35.464 14.375 1.00 0.00 H new ATOM 0 HZ3 LYS B 554 62.142 35.160 15.903 1.00 0.00 H new ATOM 1749 N PRO B 555 58.592 30.653 11.945 1.00 0.00 N ATOM 1750 CA PRO B 555 57.776 30.027 10.863 1.00 0.00 C ATOM 1751 C PRO B 555 58.574 29.224 9.836 1.00 0.00 C ATOM 1752 O PRO B 555 59.593 29.648 9.329 1.00 0.00 O ATOM 1753 CB PRO B 555 57.122 31.244 10.214 1.00 0.00 C ATOM 1754 CG PRO B 555 57.101 32.357 11.272 1.00 0.00 C ATOM 1755 CD PRO B 555 58.216 32.052 12.295 1.00 0.00 C ATOM 0 HA PRO B 555 57.087 29.283 11.264 1.00 0.00 H new ATOM 0 HB2 PRO B 555 57.681 31.559 9.333 1.00 0.00 H new ATOM 0 HB3 PRO B 555 56.111 31.008 9.882 1.00 0.00 H new ATOM 0 HG2 PRO B 555 57.264 33.330 10.807 1.00 0.00 H new ATOM 0 HG3 PRO B 555 56.130 32.398 11.765 1.00 0.00 H new ATOM 0 HD2 PRO B 555 59.058 32.737 12.195 1.00 0.00 H new ATOM 0 HD3 PRO B 555 57.859 32.133 13.322 1.00 0.00 H new ATOM 1763 N ILE B 556 58.072 28.063 9.526 1.00 0.00 N ATOM 1764 CA ILE B 556 58.719 27.178 8.525 1.00 0.00 C ATOM 1765 C ILE B 556 58.084 27.472 7.163 1.00 0.00 C ATOM 1766 O ILE B 556 57.004 27.005 6.860 1.00 0.00 O ATOM 1767 CB ILE B 556 58.449 25.726 8.927 1.00 0.00 C ATOM 1768 CG1 ILE B 556 59.214 25.388 10.228 1.00 0.00 C ATOM 1769 CG2 ILE B 556 58.905 24.797 7.809 1.00 0.00 C ATOM 1770 CD1 ILE B 556 58.529 24.224 10.975 1.00 0.00 C ATOM 0 H ILE B 556 57.219 27.683 9.936 1.00 0.00 H new ATOM 0 HA ILE B 556 59.795 27.346 8.475 1.00 0.00 H new ATOM 0 HB ILE B 556 57.381 25.594 9.098 1.00 0.00 H new ATOM 0 HG12 ILE B 556 60.244 25.119 9.991 1.00 0.00 H new ATOM 0 HG13 ILE B 556 59.254 26.267 10.872 1.00 0.00 H new ATOM 0 HG21 ILE B 556 58.713 23.763 8.094 1.00 0.00 H new ATOM 0 HG22 ILE B 556 58.356 25.029 6.896 1.00 0.00 H new ATOM 0 HG23 ILE B 556 59.972 24.933 7.635 1.00 0.00 H new ATOM 0 HD11 ILE B 556 59.082 24.001 11.887 1.00 0.00 H new ATOM 0 HD12 ILE B 556 57.507 24.506 11.230 1.00 0.00 H new ATOM 0 HD13 ILE B 556 58.513 23.341 10.336 1.00 0.00 H new ATOM 1782 N THR B 557 58.725 28.277 6.355 1.00 0.00 N ATOM 1783 CA THR B 557 58.140 28.645 5.026 1.00 0.00 C ATOM 1784 C THR B 557 58.734 27.797 3.901 1.00 0.00 C ATOM 1785 O THR B 557 59.750 28.123 3.319 1.00 0.00 O ATOM 1786 CB THR B 557 58.420 30.121 4.772 1.00 0.00 C ATOM 1787 OG1 THR B 557 59.763 30.282 4.336 1.00 0.00 O ATOM 1788 CG2 THR B 557 58.203 30.887 6.076 1.00 0.00 C ATOM 0 H THR B 557 59.632 28.698 6.557 1.00 0.00 H new ATOM 0 HA THR B 557 57.066 28.457 5.043 1.00 0.00 H new ATOM 0 HB THR B 557 57.751 30.504 4.001 1.00 0.00 H new ATOM 0 HG1 THR B 557 59.900 29.779 3.506 1.00 0.00 H new ATOM 0 HG21 THR B 557 58.399 31.947 5.913 1.00 0.00 H new ATOM 0 HG22 THR B 557 57.173 30.756 6.408 1.00 0.00 H new ATOM 0 HG23 THR B 557 58.882 30.506 6.839 1.00 0.00 H new ATOM 1796 N GLY B 558 58.086 26.712 3.595 1.00 0.00 N ATOM 1797 CA GLY B 558 58.556 25.808 2.511 1.00 0.00 C ATOM 1798 C GLY B 558 58.021 24.415 2.815 1.00 0.00 C ATOM 1799 O GLY B 558 56.884 24.093 2.528 1.00 0.00 O ATOM 0 H GLY B 558 57.231 26.406 4.060 1.00 0.00 H new ATOM 0 HA2 GLY B 558 58.198 26.153 1.541 1.00 0.00 H new ATOM 0 HA3 GLY B 558 59.645 25.799 2.464 1.00 0.00 H new ATOM 1803 N ARG B 559 58.828 23.606 3.435 1.00 0.00 N ATOM 1804 CA ARG B 559 58.404 22.236 3.828 1.00 0.00 C ATOM 1805 C ARG B 559 58.405 22.192 5.346 1.00 0.00 C ATOM 1806 O ARG B 559 59.129 22.928 5.986 1.00 0.00 O ATOM 1807 CB ARG B 559 59.412 21.217 3.274 1.00 0.00 C ATOM 1808 CG ARG B 559 59.029 20.841 1.833 1.00 0.00 C ATOM 1809 CD ARG B 559 57.973 19.724 1.834 1.00 0.00 C ATOM 1810 NE ARG B 559 57.161 19.811 0.588 1.00 0.00 N ATOM 1811 CZ ARG B 559 56.403 18.811 0.232 1.00 0.00 C ATOM 1812 NH1 ARG B 559 55.688 18.889 -0.857 1.00 0.00 N ATOM 1813 NH2 ARG B 559 56.358 17.733 0.967 1.00 0.00 N ATOM 0 H ARG B 559 59.786 23.842 3.692 1.00 0.00 H new ATOM 0 HA ARG B 559 57.416 21.996 3.435 1.00 0.00 H new ATOM 0 HB2 ARG B 559 60.418 21.637 3.296 1.00 0.00 H new ATOM 0 HB3 ARG B 559 59.425 20.326 3.901 1.00 0.00 H new ATOM 0 HG2 ARG B 559 58.641 21.717 1.313 1.00 0.00 H new ATOM 0 HG3 ARG B 559 59.914 20.513 1.288 1.00 0.00 H new ATOM 0 HD2 ARG B 559 58.458 18.750 1.898 1.00 0.00 H new ATOM 0 HD3 ARG B 559 57.329 19.818 2.708 1.00 0.00 H new ATOM 0 HE ARG B 559 57.198 20.653 0.013 1.00 0.00 H new ATOM 0 HH11 ARG B 559 55.722 19.732 -1.430 1.00 0.00 H new ATOM 0 HH12 ARG B 559 55.095 18.107 -1.135 1.00 0.00 H new ATOM 0 HH21 ARG B 559 56.915 17.673 1.819 1.00 0.00 H new ATOM 0 HH22 ARG B 559 55.765 16.951 0.689 1.00 0.00 H new ATOM 1827 N CYS B 560 57.606 21.354 5.943 1.00 0.00 N ATOM 1828 CA CYS B 560 57.592 21.300 7.433 1.00 0.00 C ATOM 1829 C CYS B 560 57.374 19.887 7.932 1.00 0.00 C ATOM 1830 O CYS B 560 56.424 19.216 7.582 1.00 0.00 O ATOM 1831 CB CYS B 560 56.494 22.207 7.985 1.00 0.00 C ATOM 1832 SG CYS B 560 54.895 21.714 7.297 1.00 0.00 S ATOM 0 H CYS B 560 56.969 20.711 5.473 1.00 0.00 H new ATOM 0 HA CYS B 560 58.564 21.645 7.784 1.00 0.00 H new ATOM 0 HB2 CYS B 560 56.468 22.143 9.073 1.00 0.00 H new ATOM 0 HB3 CYS B 560 56.705 23.246 7.732 1.00 0.00 H new ATOM 0 HG CYS B 560 54.875 20.426 7.125 1.00 0.00 H new ATOM 1838 N ILE B 561 58.254 19.452 8.783 1.00 0.00 N ATOM 1839 CA ILE B 561 58.137 18.105 9.369 1.00 0.00 C ATOM 1840 C ILE B 561 57.330 18.228 10.635 1.00 0.00 C ATOM 1841 O ILE B 561 57.403 19.212 11.341 1.00 0.00 O ATOM 1842 CB ILE B 561 59.530 17.593 9.700 1.00 0.00 C ATOM 1843 CG1 ILE B 561 60.287 17.489 8.390 1.00 0.00 C ATOM 1844 CG2 ILE B 561 59.471 16.214 10.375 1.00 0.00 C ATOM 1845 CD1 ILE B 561 61.673 16.907 8.636 1.00 0.00 C ATOM 0 H ILE B 561 59.062 19.987 9.100 1.00 0.00 H new ATOM 0 HA ILE B 561 57.655 17.414 8.677 1.00 0.00 H new ATOM 0 HB ILE B 561 60.022 18.274 10.394 1.00 0.00 H new ATOM 0 HG12 ILE B 561 59.737 16.858 7.691 1.00 0.00 H new ATOM 0 HG13 ILE B 561 60.373 18.474 7.931 1.00 0.00 H new ATOM 0 HG21 ILE B 561 60.482 15.875 10.599 1.00 0.00 H new ATOM 0 HG22 ILE B 561 58.899 16.286 11.300 1.00 0.00 H new ATOM 0 HG23 ILE B 561 58.990 15.501 9.705 1.00 0.00 H new ATOM 0 HD11 ILE B 561 62.211 16.835 7.691 1.00 0.00 H new ATOM 0 HD12 ILE B 561 62.224 17.554 9.318 1.00 0.00 H new ATOM 0 HD13 ILE B 561 61.578 15.914 9.075 1.00 0.00 H new ATOM 1857 N THR B 562 56.566 17.228 10.919 1.00 0.00 N ATOM 1858 CA THR B 562 55.721 17.233 12.148 1.00 0.00 C ATOM 1859 C THR B 562 56.085 16.039 13.001 1.00 0.00 C ATOM 1860 O THR B 562 56.449 14.986 12.514 1.00 0.00 O ATOM 1861 CB THR B 562 54.235 17.172 11.799 1.00 0.00 C ATOM 1862 OG1 THR B 562 53.948 18.109 10.771 1.00 0.00 O ATOM 1863 CG2 THR B 562 53.416 17.506 13.048 1.00 0.00 C ATOM 0 H THR B 562 56.483 16.387 10.347 1.00 0.00 H new ATOM 0 HA THR B 562 55.905 18.160 12.691 1.00 0.00 H new ATOM 0 HB THR B 562 53.978 16.172 11.450 1.00 0.00 H new ATOM 0 HG1 THR B 562 53.005 18.034 10.514 1.00 0.00 H new ATOM 0 HG21 THR B 562 52.354 17.465 12.808 1.00 0.00 H new ATOM 0 HG22 THR B 562 53.639 16.784 13.833 1.00 0.00 H new ATOM 0 HG23 THR B 562 53.671 18.508 13.393 1.00 0.00 H new ATOM 1871 N ALA B 563 56.005 16.219 14.277 1.00 0.00 N ATOM 1872 CA ALA B 563 56.354 15.149 15.239 1.00 0.00 C ATOM 1873 C ALA B 563 55.150 14.872 16.126 1.00 0.00 C ATOM 1874 O ALA B 563 54.050 14.660 15.656 1.00 0.00 O ATOM 1875 CB ALA B 563 57.532 15.626 16.075 1.00 0.00 C ATOM 0 H ALA B 563 55.702 17.091 14.710 1.00 0.00 H new ATOM 0 HA ALA B 563 56.626 14.230 14.719 1.00 0.00 H new ATOM 0 HB1 ALA B 563 57.807 14.852 16.792 1.00 0.00 H new ATOM 0 HB2 ALA B 563 58.380 15.834 15.423 1.00 0.00 H new ATOM 0 HB3 ALA B 563 57.254 16.534 16.610 1.00 0.00 H new ATOM 1881 N MET B 564 55.350 14.879 17.406 1.00 0.00 N ATOM 1882 CA MET B 564 54.234 14.630 18.358 1.00 0.00 C ATOM 1883 C MET B 564 53.229 15.776 18.260 1.00 0.00 C ATOM 1884 O MET B 564 52.545 16.089 19.211 1.00 0.00 O ATOM 1885 CB MET B 564 54.810 14.584 19.769 1.00 0.00 C ATOM 1886 CG MET B 564 56.181 13.906 19.738 1.00 0.00 C ATOM 1887 SD MET B 564 56.648 13.410 21.417 1.00 0.00 S ATOM 1888 CE MET B 564 57.544 11.900 20.975 1.00 0.00 C ATOM 0 H MET B 564 56.255 15.049 17.845 1.00 0.00 H new ATOM 0 HA MET B 564 53.736 13.689 18.123 1.00 0.00 H new ATOM 0 HB2 MET B 564 54.901 15.594 20.169 1.00 0.00 H new ATOM 0 HB3 MET B 564 54.137 14.038 20.430 1.00 0.00 H new ATOM 0 HG2 MET B 564 56.153 13.034 19.084 1.00 0.00 H new ATOM 0 HG3 MET B 564 56.926 14.588 19.328 1.00 0.00 H new ATOM 0 HE1 MET B 564 57.925 11.425 21.879 1.00 0.00 H new ATOM 0 HE2 MET B 564 56.870 11.214 20.461 1.00 0.00 H new ATOM 0 HE3 MET B 564 58.377 12.150 20.318 1.00 0.00 H new ATOM 1898 N ALA B 565 53.204 16.396 17.115 1.00 0.00 N ATOM 1899 CA ALA B 565 52.329 17.570 16.810 1.00 0.00 C ATOM 1900 C ALA B 565 53.242 18.781 16.720 1.00 0.00 C ATOM 1901 O ALA B 565 52.843 19.855 16.316 1.00 0.00 O ATOM 1902 CB ALA B 565 51.257 17.820 17.877 1.00 0.00 C ATOM 0 H ALA B 565 53.791 16.119 16.328 1.00 0.00 H new ATOM 0 HA ALA B 565 51.792 17.377 15.882 1.00 0.00 H new ATOM 0 HB1 ALA B 565 50.657 18.685 17.595 1.00 0.00 H new ATOM 0 HB2 ALA B 565 50.614 16.944 17.959 1.00 0.00 H new ATOM 0 HB3 ALA B 565 51.737 18.009 18.837 1.00 0.00 H new ATOM 1908 N LYS B 566 54.483 18.601 17.089 1.00 0.00 N ATOM 1909 CA LYS B 566 55.452 19.719 17.026 1.00 0.00 C ATOM 1910 C LYS B 566 55.979 19.827 15.598 1.00 0.00 C ATOM 1911 O LYS B 566 56.105 18.840 14.906 1.00 0.00 O ATOM 1912 CB LYS B 566 56.613 19.426 17.973 1.00 0.00 C ATOM 1913 CG LYS B 566 56.080 19.109 19.380 1.00 0.00 C ATOM 1914 CD LYS B 566 55.461 20.377 20.035 1.00 0.00 C ATOM 1915 CE LYS B 566 53.925 20.326 19.970 1.00 0.00 C ATOM 1916 NZ LYS B 566 53.407 19.518 21.111 1.00 0.00 N ATOM 0 H LYS B 566 54.863 17.719 17.433 1.00 0.00 H new ATOM 0 HA LYS B 566 54.971 20.653 17.317 1.00 0.00 H new ATOM 0 HB2 LYS B 566 57.195 18.584 17.598 1.00 0.00 H new ATOM 0 HB3 LYS B 566 57.284 20.284 18.015 1.00 0.00 H new ATOM 0 HG2 LYS B 566 55.329 18.321 19.320 1.00 0.00 H new ATOM 0 HG3 LYS B 566 56.890 18.730 20.004 1.00 0.00 H new ATOM 0 HD2 LYS B 566 55.784 20.451 21.073 1.00 0.00 H new ATOM 0 HD3 LYS B 566 55.822 21.270 19.525 1.00 0.00 H new ATOM 0 HE2 LYS B 566 53.515 21.335 20.009 1.00 0.00 H new ATOM 0 HE3 LYS B 566 53.604 19.888 19.025 1.00 0.00 H new ATOM 0 HZ1 LYS B 566 52.368 19.483 21.068 1.00 0.00 H new ATOM 0 HZ2 LYS B 566 53.789 18.552 21.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 566 53.702 19.955 22.008 1.00 0.00 H new ATOM 1930 N LYS B 567 56.294 21.012 15.150 1.00 0.00 N ATOM 1931 CA LYS B 567 56.817 21.179 13.761 1.00 0.00 C ATOM 1932 C LYS B 567 58.342 21.170 13.812 1.00 0.00 C ATOM 1933 O LYS B 567 58.928 21.128 14.875 1.00 0.00 O ATOM 1934 CB LYS B 567 56.305 22.501 13.178 1.00 0.00 C ATOM 1935 CG LYS B 567 54.899 22.813 13.723 1.00 0.00 C ATOM 1936 CD LYS B 567 53.908 21.675 13.400 1.00 0.00 C ATOM 1937 CE LYS B 567 53.665 21.610 11.890 1.00 0.00 C ATOM 1938 NZ LYS B 567 52.455 20.783 11.621 1.00 0.00 N ATOM 0 H LYS B 567 56.212 21.875 15.687 1.00 0.00 H new ATOM 0 HA LYS B 567 56.472 20.365 13.124 1.00 0.00 H new ATOM 0 HB2 LYS B 567 56.990 23.309 13.434 1.00 0.00 H new ATOM 0 HB3 LYS B 567 56.276 22.440 12.090 1.00 0.00 H new ATOM 0 HG2 LYS B 567 54.949 22.959 14.802 1.00 0.00 H new ATOM 0 HG3 LYS B 567 54.538 23.746 13.291 1.00 0.00 H new ATOM 0 HD2 LYS B 567 54.305 20.724 13.755 1.00 0.00 H new ATOM 0 HD3 LYS B 567 52.966 21.842 13.922 1.00 0.00 H new ATOM 0 HE2 LYS B 567 53.530 22.614 11.488 1.00 0.00 H new ATOM 0 HE3 LYS B 567 54.532 21.180 11.389 1.00 0.00 H new ATOM 0 HZ1 LYS B 567 51.900 21.218 10.857 1.00 0.00 H new ATOM 0 HZ2 LYS B 567 52.745 19.826 11.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 567 51.874 20.727 12.482 1.00 0.00 H new ATOM 1952 N PHE B 568 59.001 21.196 12.686 1.00 0.00 N ATOM 1953 CA PHE B 568 60.489 21.174 12.731 1.00 0.00 C ATOM 1954 C PHE B 568 61.051 21.676 11.410 1.00 0.00 C ATOM 1955 O PHE B 568 60.616 21.282 10.347 1.00 0.00 O ATOM 1956 CB PHE B 568 60.973 19.717 12.978 1.00 0.00 C ATOM 1957 CG PHE B 568 61.599 19.590 14.355 1.00 0.00 C ATOM 1958 CD1 PHE B 568 60.894 18.966 15.393 1.00 0.00 C ATOM 1959 CD2 PHE B 568 62.882 20.100 14.590 1.00 0.00 C ATOM 1960 CE1 PHE B 568 61.472 18.852 16.662 1.00 0.00 C ATOM 1961 CE2 PHE B 568 63.460 19.985 15.860 1.00 0.00 C ATOM 1962 CZ PHE B 568 62.754 19.361 16.896 1.00 0.00 C ATOM 0 H PHE B 568 58.584 21.231 11.756 1.00 0.00 H new ATOM 0 HA PHE B 568 60.836 21.819 13.538 1.00 0.00 H new ATOM 0 HB2 PHE B 568 60.133 19.029 12.889 1.00 0.00 H new ATOM 0 HB3 PHE B 568 61.698 19.434 12.215 1.00 0.00 H new ATOM 0 HD1 PHE B 568 59.904 18.573 15.213 1.00 0.00 H new ATOM 0 HD2 PHE B 568 63.426 20.582 13.791 1.00 0.00 H new ATOM 0 HE1 PHE B 568 60.928 18.371 17.461 1.00 0.00 H new ATOM 0 HE2 PHE B 568 64.450 20.377 16.041 1.00 0.00 H new ATOM 0 HZ PHE B 568 63.199 19.273 17.876 1.00 0.00 H new ATOM 1972 N HIS B 569 62.052 22.503 11.469 1.00 0.00 N ATOM 1973 CA HIS B 569 62.674 22.973 10.212 1.00 0.00 C ATOM 1974 C HIS B 569 63.114 21.704 9.462 1.00 0.00 C ATOM 1975 O HIS B 569 63.945 20.975 9.966 1.00 0.00 O ATOM 1976 CB HIS B 569 63.919 23.804 10.542 1.00 0.00 C ATOM 1977 CG HIS B 569 63.564 25.244 10.778 1.00 0.00 C ATOM 1978 ND1 HIS B 569 63.787 25.851 12.000 1.00 0.00 N ATOM 1979 CD2 HIS B 569 63.055 26.218 9.957 1.00 0.00 C ATOM 1980 CE1 HIS B 569 63.425 27.140 11.882 1.00 0.00 C ATOM 1981 NE2 HIS B 569 62.969 27.417 10.656 1.00 0.00 N ATOM 0 H HIS B 569 62.462 22.870 12.328 1.00 0.00 H new ATOM 0 HA HIS B 569 61.986 23.582 9.626 1.00 0.00 H new ATOM 0 HB2 HIS B 569 64.407 23.397 11.428 1.00 0.00 H new ATOM 0 HB3 HIS B 569 64.635 23.733 9.723 1.00 0.00 H new ATOM 0 HD2 HIS B 569 62.766 26.076 8.926 1.00 0.00 H new ATOM 0 HE1 HIS B 569 63.494 27.864 12.680 1.00 0.00 H new ATOM 0 HE2 HIS B 569 62.631 28.314 10.308 1.00 0.00 H new ATOM 1988 N PRO B 570 62.580 21.400 8.305 1.00 0.00 N ATOM 1989 CA PRO B 570 62.999 20.164 7.603 1.00 0.00 C ATOM 1990 C PRO B 570 64.531 20.021 7.584 1.00 0.00 C ATOM 1991 O PRO B 570 65.067 18.992 7.229 1.00 0.00 O ATOM 1992 CB PRO B 570 62.410 20.383 6.204 1.00 0.00 C ATOM 1993 CG PRO B 570 61.269 21.400 6.353 1.00 0.00 C ATOM 1994 CD PRO B 570 61.551 22.225 7.616 1.00 0.00 C ATOM 0 HA PRO B 570 62.656 19.242 8.073 1.00 0.00 H new ATOM 0 HB2 PRO B 570 63.172 20.755 5.519 1.00 0.00 H new ATOM 0 HB3 PRO B 570 62.039 19.445 5.790 1.00 0.00 H new ATOM 0 HG2 PRO B 570 61.214 22.046 5.477 1.00 0.00 H new ATOM 0 HG3 PRO B 570 60.309 20.890 6.434 1.00 0.00 H new ATOM 0 HD2 PRO B 570 61.921 23.222 7.377 1.00 0.00 H new ATOM 0 HD3 PRO B 570 60.657 22.354 8.226 1.00 0.00 H new ATOM 2002 N GLU B 571 65.233 21.059 7.978 1.00 0.00 N ATOM 2003 CA GLU B 571 66.725 21.016 7.998 1.00 0.00 C ATOM 2004 C GLU B 571 67.223 20.704 9.413 1.00 0.00 C ATOM 2005 O GLU B 571 68.017 19.817 9.633 1.00 0.00 O ATOM 2006 CB GLU B 571 67.257 22.390 7.583 1.00 0.00 C ATOM 2007 CG GLU B 571 66.366 22.949 6.484 1.00 0.00 C ATOM 2008 CD GLU B 571 67.029 24.175 5.855 1.00 0.00 C ATOM 2009 OE1 GLU B 571 68.091 24.553 6.320 1.00 0.00 O ATOM 2010 OE2 GLU B 571 66.463 24.716 4.919 1.00 0.00 O ATOM 0 H GLU B 571 64.828 21.942 8.289 1.00 0.00 H new ATOM 0 HA GLU B 571 67.075 20.243 7.314 1.00 0.00 H new ATOM 0 HB2 GLU B 571 67.269 23.065 8.439 1.00 0.00 H new ATOM 0 HB3 GLU B 571 68.285 22.306 7.230 1.00 0.00 H new ATOM 0 HG2 GLU B 571 66.190 22.188 5.723 1.00 0.00 H new ATOM 0 HG3 GLU B 571 65.393 23.220 6.894 1.00 0.00 H new ATOM 2017 N HIS B 572 66.768 21.442 10.372 1.00 0.00 N ATOM 2018 CA HIS B 572 67.230 21.200 11.770 1.00 0.00 C ATOM 2019 C HIS B 572 66.899 19.765 12.183 1.00 0.00 C ATOM 2020 O HIS B 572 67.286 19.312 13.243 1.00 0.00 O ATOM 2021 CB HIS B 572 66.578 22.226 12.707 1.00 0.00 C ATOM 2022 CG HIS B 572 66.845 23.603 12.134 1.00 0.00 C ATOM 2023 ND1 HIS B 572 66.086 24.749 12.422 1.00 0.00 N ATOM 2024 CD2 HIS B 572 67.817 24.024 11.254 1.00 0.00 C ATOM 2025 CE1 HIS B 572 66.624 25.766 11.719 1.00 0.00 C ATOM 2026 NE2 HIS B 572 67.673 25.380 10.998 1.00 0.00 N ATOM 0 H HIS B 572 66.098 22.202 10.258 1.00 0.00 H new ATOM 0 HA HIS B 572 68.311 21.322 11.834 1.00 0.00 H new ATOM 0 HB2 HIS B 572 65.506 22.045 12.786 1.00 0.00 H new ATOM 0 HB3 HIS B 572 66.990 22.143 13.713 1.00 0.00 H new ATOM 0 HD2 HIS B 572 68.580 23.391 10.826 1.00 0.00 H new ATOM 0 HE1 HIS B 572 66.247 26.778 11.739 1.00 0.00 H new ATOM 0 HE2 HIS B 572 68.249 25.958 10.387 1.00 0.00 H new ATOM 2033 N PHE B 573 66.221 19.033 11.332 1.00 0.00 N ATOM 2034 CA PHE B 573 65.894 17.603 11.635 1.00 0.00 C ATOM 2035 C PHE B 573 66.348 16.755 10.441 1.00 0.00 C ATOM 2036 O PHE B 573 65.565 16.081 9.802 1.00 0.00 O ATOM 2037 CB PHE B 573 64.386 17.453 11.841 1.00 0.00 C ATOM 2038 CG PHE B 573 64.097 16.186 12.616 1.00 0.00 C ATOM 2039 CD1 PHE B 573 64.436 16.105 13.972 1.00 0.00 C ATOM 2040 CD2 PHE B 573 63.494 15.093 11.980 1.00 0.00 C ATOM 2041 CE1 PHE B 573 64.173 14.934 14.691 1.00 0.00 C ATOM 2042 CE2 PHE B 573 63.231 13.922 12.699 1.00 0.00 C ATOM 2043 CZ PHE B 573 63.571 13.842 14.055 1.00 0.00 C ATOM 0 H PHE B 573 65.877 19.368 10.432 1.00 0.00 H new ATOM 0 HA PHE B 573 66.400 17.277 12.544 1.00 0.00 H new ATOM 0 HB2 PHE B 573 63.996 18.316 12.380 1.00 0.00 H new ATOM 0 HB3 PHE B 573 63.879 17.424 10.876 1.00 0.00 H new ATOM 0 HD1 PHE B 573 64.901 16.947 14.463 1.00 0.00 H new ATOM 0 HD2 PHE B 573 63.232 15.154 10.934 1.00 0.00 H new ATOM 0 HE1 PHE B 573 64.435 14.873 15.737 1.00 0.00 H new ATOM 0 HE2 PHE B 573 62.766 13.080 12.208 1.00 0.00 H new ATOM 0 HZ PHE B 573 63.369 12.938 14.610 1.00 0.00 H new ATOM 2053 N VAL B 574 67.612 16.823 10.128 1.00 0.00 N ATOM 2054 CA VAL B 574 68.166 16.072 8.961 1.00 0.00 C ATOM 2055 C VAL B 574 68.743 14.709 9.393 1.00 0.00 C ATOM 2056 O VAL B 574 68.778 14.371 10.560 1.00 0.00 O ATOM 2057 CB VAL B 574 69.305 16.886 8.346 1.00 0.00 C ATOM 2058 CG1 VAL B 574 68.742 18.146 7.651 1.00 0.00 C ATOM 2059 CG2 VAL B 574 70.292 17.276 9.458 1.00 0.00 C ATOM 0 H VAL B 574 68.299 17.377 10.640 1.00 0.00 H new ATOM 0 HA VAL B 574 67.357 15.909 8.249 1.00 0.00 H new ATOM 0 HB VAL B 574 69.824 16.290 7.595 1.00 0.00 H new ATOM 0 HG11 VAL B 574 69.561 18.719 7.216 1.00 0.00 H new ATOM 0 HG12 VAL B 574 68.050 17.848 6.864 1.00 0.00 H new ATOM 0 HG13 VAL B 574 68.217 18.761 8.382 1.00 0.00 H new ATOM 0 HG21 VAL B 574 71.109 17.857 9.031 1.00 0.00 H new ATOM 0 HG22 VAL B 574 69.776 17.873 10.210 1.00 0.00 H new ATOM 0 HG23 VAL B 574 70.692 16.374 9.922 1.00 0.00 H new ATOM 2069 N CYS B 575 69.212 13.939 8.438 1.00 0.00 N ATOM 2070 CA CYS B 575 69.818 12.597 8.739 1.00 0.00 C ATOM 2071 C CYS B 575 71.217 12.827 9.273 1.00 0.00 C ATOM 2072 O CYS B 575 71.874 13.761 8.857 1.00 0.00 O ATOM 2073 CB CYS B 575 69.868 11.767 7.434 1.00 0.00 C ATOM 2074 SG CYS B 575 71.524 11.073 7.117 1.00 0.00 S ATOM 0 H CYS B 575 69.201 14.186 7.448 1.00 0.00 H new ATOM 0 HA CYS B 575 69.228 12.054 9.477 1.00 0.00 H new ATOM 0 HB2 CYS B 575 69.142 10.956 7.494 1.00 0.00 H new ATOM 0 HB3 CYS B 575 69.574 12.397 6.594 1.00 0.00 H new ATOM 2079 N ALA B 576 71.717 12.001 10.172 1.00 0.00 N ATOM 2080 CA ALA B 576 73.107 12.283 10.639 1.00 0.00 C ATOM 2081 C ALA B 576 74.116 11.454 9.823 1.00 0.00 C ATOM 2082 O ALA B 576 74.784 10.571 10.321 1.00 0.00 O ATOM 2083 CB ALA B 576 73.201 11.888 12.125 1.00 0.00 C ATOM 0 H ALA B 576 71.250 11.191 10.579 1.00 0.00 H new ATOM 0 HA ALA B 576 73.338 13.340 10.508 1.00 0.00 H new ATOM 0 HB1 ALA B 576 74.209 12.085 12.491 1.00 0.00 H new ATOM 0 HB2 ALA B 576 72.485 12.472 12.703 1.00 0.00 H new ATOM 0 HB3 ALA B 576 72.976 10.827 12.234 1.00 0.00 H new ATOM 2089 N PHE B 577 74.317 11.881 8.605 1.00 0.00 N ATOM 2090 CA PHE B 577 75.368 11.342 7.686 1.00 0.00 C ATOM 2091 C PHE B 577 75.628 12.519 6.760 1.00 0.00 C ATOM 2092 O PHE B 577 76.663 13.155 6.748 1.00 0.00 O ATOM 2093 CB PHE B 577 74.916 10.105 6.873 1.00 0.00 C ATOM 2094 CG PHE B 577 76.135 9.301 6.381 1.00 0.00 C ATOM 2095 CD1 PHE B 577 76.001 7.923 6.103 1.00 0.00 C ATOM 2096 CD2 PHE B 577 77.401 9.911 6.198 1.00 0.00 C ATOM 2097 CE1 PHE B 577 77.104 7.182 5.659 1.00 0.00 C ATOM 2098 CE2 PHE B 577 78.489 9.155 5.753 1.00 0.00 C ATOM 2099 CZ PHE B 577 78.342 7.797 5.485 1.00 0.00 C ATOM 0 H PHE B 577 73.761 12.626 8.185 1.00 0.00 H new ATOM 0 HA PHE B 577 76.239 10.987 8.237 1.00 0.00 H new ATOM 0 HB2 PHE B 577 74.281 9.470 7.491 1.00 0.00 H new ATOM 0 HB3 PHE B 577 74.316 10.423 6.020 1.00 0.00 H new ATOM 0 HD1 PHE B 577 75.045 7.438 6.233 1.00 0.00 H new ATOM 0 HD2 PHE B 577 77.526 10.964 6.403 1.00 0.00 H new ATOM 0 HE1 PHE B 577 76.994 6.128 5.450 1.00 0.00 H new ATOM 0 HE2 PHE B 577 79.450 9.628 5.616 1.00 0.00 H new ATOM 0 HZ PHE B 577 79.188 7.220 5.142 1.00 0.00 H new ATOM 2109 N CYS B 578 74.583 12.810 6.018 1.00 0.00 N ATOM 2110 CA CYS B 578 74.541 13.948 5.073 1.00 0.00 C ATOM 2111 C CYS B 578 73.549 14.941 5.683 1.00 0.00 C ATOM 2112 O CYS B 578 72.377 14.955 5.375 1.00 0.00 O ATOM 2113 CB CYS B 578 74.035 13.460 3.713 1.00 0.00 C ATOM 2114 SG CYS B 578 72.397 12.701 3.904 1.00 0.00 S ATOM 0 H CYS B 578 73.719 12.268 6.040 1.00 0.00 H new ATOM 0 HA CYS B 578 75.521 14.401 4.920 1.00 0.00 H new ATOM 0 HB2 CYS B 578 73.980 14.295 3.014 1.00 0.00 H new ATOM 0 HB3 CYS B 578 74.734 12.737 3.292 1.00 0.00 H new ATOM 2119 N LEU B 579 74.024 15.713 6.604 1.00 0.00 N ATOM 2120 CA LEU B 579 73.176 16.678 7.343 1.00 0.00 C ATOM 2121 C LEU B 579 72.370 17.615 6.415 1.00 0.00 C ATOM 2122 O LEU B 579 71.887 18.630 6.876 1.00 0.00 O ATOM 2123 CB LEU B 579 74.073 17.525 8.302 1.00 0.00 C ATOM 2124 CG LEU B 579 75.584 17.496 7.903 1.00 0.00 C ATOM 2125 CD1 LEU B 579 76.285 16.189 8.369 1.00 0.00 C ATOM 2126 CD2 LEU B 579 75.768 17.699 6.378 1.00 0.00 C ATOM 0 H LEU B 579 75.004 15.717 6.888 1.00 0.00 H new ATOM 0 HA LEU B 579 72.447 16.098 7.909 1.00 0.00 H new ATOM 0 HB2 LEU B 579 73.722 18.557 8.303 1.00 0.00 H new ATOM 0 HB3 LEU B 579 73.964 17.150 9.320 1.00 0.00 H new ATOM 0 HG LEU B 579 76.062 18.328 8.420 1.00 0.00 H new ATOM 0 HD11 LEU B 579 77.333 16.212 8.071 1.00 0.00 H new ATOM 0 HD12 LEU B 579 76.218 16.107 9.454 1.00 0.00 H new ATOM 0 HD13 LEU B 579 75.796 15.330 7.910 1.00 0.00 H new ATOM 0 HD21 LEU B 579 76.830 17.674 6.133 1.00 0.00 H new ATOM 0 HD22 LEU B 579 75.252 16.903 5.840 1.00 0.00 H new ATOM 0 HD23 LEU B 579 75.351 18.663 6.086 1.00 0.00 H new ATOM 2138 N LYS B 580 72.220 17.346 5.129 1.00 0.00 N ATOM 2139 CA LYS B 580 71.451 18.340 4.298 1.00 0.00 C ATOM 2140 C LYS B 580 69.935 18.066 4.281 1.00 0.00 C ATOM 2141 O LYS B 580 69.160 19.002 4.293 1.00 0.00 O ATOM 2142 CB LYS B 580 72.019 18.341 2.847 1.00 0.00 C ATOM 2143 CG LYS B 580 71.279 17.367 1.898 1.00 0.00 C ATOM 2144 CD LYS B 580 71.574 15.918 2.298 1.00 0.00 C ATOM 2145 CE LYS B 580 70.471 15.000 1.771 1.00 0.00 C ATOM 2146 NZ LYS B 580 70.041 15.463 0.422 1.00 0.00 N ATOM 0 H LYS B 580 72.577 16.525 4.640 1.00 0.00 H new ATOM 0 HA LYS B 580 71.579 19.321 4.756 1.00 0.00 H new ATOM 0 HB2 LYS B 580 71.957 19.351 2.441 1.00 0.00 H new ATOM 0 HB3 LYS B 580 73.075 18.075 2.878 1.00 0.00 H new ATOM 0 HG2 LYS B 580 70.206 17.552 1.938 1.00 0.00 H new ATOM 0 HG3 LYS B 580 71.594 17.540 0.869 1.00 0.00 H new ATOM 0 HD2 LYS B 580 72.539 15.610 1.896 1.00 0.00 H new ATOM 0 HD3 LYS B 580 71.640 15.837 3.383 1.00 0.00 H new ATOM 0 HE2 LYS B 580 70.833 13.973 1.716 1.00 0.00 H new ATOM 0 HE3 LYS B 580 69.623 15.003 2.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 69.592 14.676 -0.088 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 69.361 16.243 0.523 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 70.870 15.793 -0.112 1.00 0.00 H new ATOM 2160 N GLN B 581 69.462 16.835 4.270 1.00 0.00 N ATOM 2161 CA GLN B 581 67.966 16.671 4.274 1.00 0.00 C ATOM 2162 C GLN B 581 67.462 15.303 4.741 1.00 0.00 C ATOM 2163 O GLN B 581 67.960 14.263 4.360 1.00 0.00 O ATOM 2164 CB GLN B 581 67.398 16.984 2.896 1.00 0.00 C ATOM 2165 CG GLN B 581 65.877 17.166 2.993 1.00 0.00 C ATOM 2166 CD GLN B 581 65.554 18.507 3.644 1.00 0.00 C ATOM 2167 OE1 GLN B 581 65.228 19.462 2.968 1.00 0.00 O ATOM 2168 NE2 GLN B 581 65.632 18.620 4.937 1.00 0.00 N ATOM 0 H GLN B 581 70.014 15.977 4.259 1.00 0.00 H new ATOM 0 HA GLN B 581 67.607 17.384 5.016 1.00 0.00 H new ATOM 0 HB2 GLN B 581 67.858 17.889 2.499 1.00 0.00 H new ATOM 0 HB3 GLN B 581 67.634 16.177 2.203 1.00 0.00 H new ATOM 0 HG2 GLN B 581 65.432 17.118 1.999 1.00 0.00 H new ATOM 0 HG3 GLN B 581 65.442 16.355 3.576 1.00 0.00 H new ATOM 0 HE21 GLN B 581 65.906 17.817 5.503 1.00 0.00 H new ATOM 0 HE22 GLN B 581 65.419 19.511 5.385 1.00 0.00 H new ATOM 2177 N LEU B 582 66.400 15.332 5.503 1.00 0.00 N ATOM 2178 CA LEU B 582 65.721 14.087 5.964 1.00 0.00 C ATOM 2179 C LEU B 582 64.206 14.316 5.890 1.00 0.00 C ATOM 2180 O LEU B 582 63.751 15.426 5.706 1.00 0.00 O ATOM 2181 CB LEU B 582 66.127 13.804 7.397 1.00 0.00 C ATOM 2182 CG LEU B 582 65.762 12.374 7.820 1.00 0.00 C ATOM 2183 CD1 LEU B 582 66.485 11.343 6.924 1.00 0.00 C ATOM 2184 CD2 LEU B 582 66.163 12.187 9.296 1.00 0.00 C ATOM 0 H LEU B 582 65.964 16.193 5.834 1.00 0.00 H new ATOM 0 HA LEU B 582 66.002 13.239 5.339 1.00 0.00 H new ATOM 0 HB2 LEU B 582 67.201 13.953 7.507 1.00 0.00 H new ATOM 0 HB3 LEU B 582 65.637 14.516 8.061 1.00 0.00 H new ATOM 0 HG LEU B 582 64.690 12.215 7.706 1.00 0.00 H new ATOM 0 HD11 LEU B 582 66.215 10.335 7.238 1.00 0.00 H new ATOM 0 HD12 LEU B 582 66.188 11.491 5.886 1.00 0.00 H new ATOM 0 HD13 LEU B 582 67.563 11.474 7.015 1.00 0.00 H new ATOM 0 HD21 LEU B 582 65.912 11.176 9.616 1.00 0.00 H new ATOM 0 HD22 LEU B 582 67.236 12.346 9.404 1.00 0.00 H new ATOM 0 HD23 LEU B 582 65.626 12.907 9.913 1.00 0.00 H new ATOM 2196 N ASN B 583 63.424 13.281 6.034 1.00 0.00 N ATOM 2197 CA ASN B 583 61.938 13.443 5.971 1.00 0.00 C ATOM 2198 C ASN B 583 61.277 12.380 6.849 1.00 0.00 C ATOM 2199 O ASN B 583 61.610 11.215 6.789 1.00 0.00 O ATOM 2200 CB ASN B 583 61.466 13.274 4.516 1.00 0.00 C ATOM 2201 CG ASN B 583 61.601 14.590 3.756 1.00 0.00 C ATOM 2202 OD1 ASN B 583 61.854 15.627 4.336 1.00 0.00 O ATOM 2203 ND2 ASN B 583 61.434 14.588 2.467 1.00 0.00 N ATOM 0 H ASN B 583 63.748 12.327 6.193 1.00 0.00 H new ATOM 0 HA ASN B 583 61.662 14.435 6.328 1.00 0.00 H new ATOM 0 HB2 ASN B 583 62.055 12.500 4.024 1.00 0.00 H new ATOM 0 HB3 ASN B 583 60.428 12.943 4.500 1.00 0.00 H new ATOM 0 HD21 ASN B 583 61.515 15.458 1.941 1.00 0.00 H new ATOM 0 HD22 ASN B 583 61.222 13.716 1.982 1.00 0.00 H new ATOM 2210 N LYS B 584 60.331 12.776 7.650 1.00 0.00 N ATOM 2211 CA LYS B 584 59.630 11.804 8.526 1.00 0.00 C ATOM 2212 C LYS B 584 59.140 10.627 7.688 1.00 0.00 C ATOM 2213 O LYS B 584 58.816 9.574 8.199 1.00 0.00 O ATOM 2214 CB LYS B 584 58.424 12.503 9.139 1.00 0.00 C ATOM 2215 CG LYS B 584 57.667 13.266 8.029 1.00 0.00 C ATOM 2216 CD LYS B 584 56.182 13.361 8.377 1.00 0.00 C ATOM 2217 CE LYS B 584 56.005 13.931 9.786 1.00 0.00 C ATOM 2218 NZ LYS B 584 54.635 14.499 9.913 1.00 0.00 N ATOM 0 H LYS B 584 60.011 13.741 7.735 1.00 0.00 H new ATOM 0 HA LYS B 584 60.305 11.443 9.302 1.00 0.00 H new ATOM 0 HB2 LYS B 584 57.766 11.774 9.611 1.00 0.00 H new ATOM 0 HB3 LYS B 584 58.745 13.194 9.919 1.00 0.00 H new ATOM 0 HG2 LYS B 584 58.086 14.266 7.913 1.00 0.00 H new ATOM 0 HG3 LYS B 584 57.793 12.755 7.075 1.00 0.00 H new ATOM 0 HD2 LYS B 584 55.671 13.996 7.653 1.00 0.00 H new ATOM 0 HD3 LYS B 584 55.723 12.374 8.316 1.00 0.00 H new ATOM 0 HE2 LYS B 584 56.158 13.149 10.530 1.00 0.00 H new ATOM 0 HE3 LYS B 584 56.751 14.703 9.976 1.00 0.00 H new ATOM 0 HZ1 LYS B 584 54.270 14.314 10.869 1.00 0.00 H new ATOM 0 HZ2 LYS B 584 54.668 15.525 9.748 1.00 0.00 H new ATOM 0 HZ3 LYS B 584 54.009 14.055 9.211 1.00 0.00 H new ATOM 2232 N GLY B 585 59.066 10.809 6.401 1.00 0.00 N ATOM 2233 CA GLY B 585 58.584 9.717 5.515 1.00 0.00 C ATOM 2234 C GLY B 585 59.762 8.851 5.108 1.00 0.00 C ATOM 2235 O GLY B 585 59.608 7.721 4.687 1.00 0.00 O ATOM 0 H GLY B 585 59.320 11.673 5.922 1.00 0.00 H new ATOM 0 HA2 GLY B 585 57.836 9.116 6.032 1.00 0.00 H new ATOM 0 HA3 GLY B 585 58.102 10.135 4.631 1.00 0.00 H new ATOM 2239 N THR B 586 60.942 9.382 5.236 1.00 0.00 N ATOM 2240 CA THR B 586 62.169 8.619 4.867 1.00 0.00 C ATOM 2241 C THR B 586 63.205 8.786 5.970 1.00 0.00 C ATOM 2242 O THR B 586 64.393 8.675 5.742 1.00 0.00 O ATOM 2243 CB THR B 586 62.724 9.166 3.551 1.00 0.00 C ATOM 2244 OG1 THR B 586 63.572 10.274 3.822 1.00 0.00 O ATOM 2245 CG2 THR B 586 61.562 9.614 2.662 1.00 0.00 C ATOM 0 H THR B 586 61.114 10.325 5.585 1.00 0.00 H new ATOM 0 HA THR B 586 61.931 7.562 4.747 1.00 0.00 H new ATOM 0 HB THR B 586 63.295 8.390 3.041 1.00 0.00 H new ATOM 0 HG1 THR B 586 64.361 9.969 4.317 1.00 0.00 H new ATOM 0 HG21 THR B 586 61.952 10.005 1.722 1.00 0.00 H new ATOM 0 HG22 THR B 586 60.911 8.764 2.459 1.00 0.00 H new ATOM 0 HG23 THR B 586 60.994 10.393 3.171 1.00 0.00 H new ATOM 2253 N PHE B 587 62.764 9.053 7.173 1.00 0.00 N ATOM 2254 CA PHE B 587 63.737 9.226 8.298 1.00 0.00 C ATOM 2255 C PHE B 587 63.986 7.880 8.983 1.00 0.00 C ATOM 2256 O PHE B 587 63.141 7.329 9.659 1.00 0.00 O ATOM 2257 CB PHE B 587 63.221 10.263 9.315 1.00 0.00 C ATOM 2258 CG PHE B 587 62.219 9.656 10.291 1.00 0.00 C ATOM 2259 CD1 PHE B 587 62.409 9.810 11.673 1.00 0.00 C ATOM 2260 CD2 PHE B 587 61.105 8.947 9.818 1.00 0.00 C ATOM 2261 CE1 PHE B 587 61.490 9.259 12.574 1.00 0.00 C ATOM 2262 CE2 PHE B 587 60.189 8.396 10.722 1.00 0.00 C ATOM 2263 CZ PHE B 587 60.381 8.552 12.099 1.00 0.00 C ATOM 0 H PHE B 587 61.781 9.158 7.425 1.00 0.00 H new ATOM 0 HA PHE B 587 64.678 9.595 7.890 1.00 0.00 H new ATOM 0 HB2 PHE B 587 64.063 10.676 9.870 1.00 0.00 H new ATOM 0 HB3 PHE B 587 62.753 11.091 8.783 1.00 0.00 H new ATOM 0 HD1 PHE B 587 63.266 10.354 12.042 1.00 0.00 H new ATOM 0 HD2 PHE B 587 60.954 8.826 8.756 1.00 0.00 H new ATOM 0 HE1 PHE B 587 61.638 9.380 13.637 1.00 0.00 H new ATOM 0 HE2 PHE B 587 59.333 7.849 10.356 1.00 0.00 H new ATOM 0 HZ PHE B 587 59.673 8.127 12.795 1.00 0.00 H new ATOM 2273 N LYS B 588 65.161 7.355 8.803 1.00 0.00 N ATOM 2274 CA LYS B 588 65.534 6.052 9.421 1.00 0.00 C ATOM 2275 C LYS B 588 66.431 6.363 10.620 1.00 0.00 C ATOM 2276 O LYS B 588 66.992 7.435 10.722 1.00 0.00 O ATOM 2277 CB LYS B 588 66.275 5.213 8.354 1.00 0.00 C ATOM 2278 CG LYS B 588 65.743 3.759 8.229 1.00 0.00 C ATOM 2279 CD LYS B 588 64.197 3.629 8.146 1.00 0.00 C ATOM 2280 CE LYS B 588 63.544 4.783 7.370 1.00 0.00 C ATOM 2281 NZ LYS B 588 62.325 4.277 6.677 1.00 0.00 N ATOM 0 H LYS B 588 65.897 7.782 8.241 1.00 0.00 H new ATOM 0 HA LYS B 588 64.669 5.484 9.762 1.00 0.00 H new ATOM 0 HB2 LYS B 588 66.185 5.708 7.387 1.00 0.00 H new ATOM 0 HB3 LYS B 588 67.337 5.183 8.600 1.00 0.00 H new ATOM 0 HG2 LYS B 588 66.179 3.304 7.339 1.00 0.00 H new ATOM 0 HG3 LYS B 588 66.095 3.185 9.086 1.00 0.00 H new ATOM 0 HD2 LYS B 588 63.942 2.684 7.666 1.00 0.00 H new ATOM 0 HD3 LYS B 588 63.785 3.596 9.155 1.00 0.00 H new ATOM 0 HE2 LYS B 588 63.281 5.592 8.051 1.00 0.00 H new ATOM 0 HE3 LYS B 588 64.246 5.193 6.644 1.00 0.00 H new ATOM 0 HZ1 LYS B 588 61.878 5.054 6.149 1.00 0.00 H new ATOM 0 HZ2 LYS B 588 62.591 3.518 6.017 1.00 0.00 H new ATOM 0 HZ3 LYS B 588 61.655 3.905 7.380 1.00 0.00 H new ATOM 2295 N GLU B 589 66.546 5.455 11.542 1.00 0.00 N ATOM 2296 CA GLU B 589 67.382 5.733 12.745 1.00 0.00 C ATOM 2297 C GLU B 589 67.906 4.441 13.361 1.00 0.00 C ATOM 2298 O GLU B 589 67.343 3.374 13.222 1.00 0.00 O ATOM 2299 CB GLU B 589 66.537 6.506 13.776 1.00 0.00 C ATOM 2300 CG GLU B 589 67.122 6.378 15.191 1.00 0.00 C ATOM 2301 CD GLU B 589 66.458 7.404 16.111 1.00 0.00 C ATOM 2302 OE1 GLU B 589 66.756 8.578 15.968 1.00 0.00 O ATOM 2303 OE2 GLU B 589 65.664 6.998 16.943 1.00 0.00 O ATOM 0 H GLU B 589 66.102 4.537 11.519 1.00 0.00 H new ATOM 0 HA GLU B 589 68.242 6.332 12.445 1.00 0.00 H new ATOM 0 HB2 GLU B 589 66.490 7.558 13.494 1.00 0.00 H new ATOM 0 HB3 GLU B 589 65.515 6.127 13.768 1.00 0.00 H new ATOM 0 HG2 GLU B 589 66.959 5.371 15.574 1.00 0.00 H new ATOM 0 HG3 GLU B 589 68.200 6.539 15.167 1.00 0.00 H new ATOM 2310 N GLN B 590 68.972 4.579 14.079 1.00 0.00 N ATOM 2311 CA GLN B 590 69.590 3.443 14.787 1.00 0.00 C ATOM 2312 C GLN B 590 70.410 4.036 15.927 1.00 0.00 C ATOM 2313 O GLN B 590 70.955 5.116 15.817 1.00 0.00 O ATOM 2314 CB GLN B 590 70.480 2.644 13.842 1.00 0.00 C ATOM 2315 CG GLN B 590 71.651 3.504 13.397 1.00 0.00 C ATOM 2316 CD GLN B 590 72.349 2.840 12.209 1.00 0.00 C ATOM 2317 OE1 GLN B 590 73.256 3.402 11.629 1.00 0.00 O ATOM 2318 NE2 GLN B 590 71.959 1.655 11.822 1.00 0.00 N ATOM 0 H GLN B 590 69.457 5.467 14.208 1.00 0.00 H new ATOM 0 HA GLN B 590 68.832 2.758 15.167 1.00 0.00 H new ATOM 0 HB2 GLN B 590 70.844 1.746 14.341 1.00 0.00 H new ATOM 0 HB3 GLN B 590 69.906 2.316 12.975 1.00 0.00 H new ATOM 0 HG2 GLN B 590 71.301 4.498 13.118 1.00 0.00 H new ATOM 0 HG3 GLN B 590 72.354 3.633 14.220 1.00 0.00 H new ATOM 0 HE21 GLN B 590 71.197 1.184 12.310 1.00 0.00 H new ATOM 0 HE22 GLN B 590 72.416 1.200 11.032 1.00 0.00 H new ATOM 2327 N ASN B 591 70.479 3.359 17.022 1.00 0.00 N ATOM 2328 CA ASN B 591 71.234 3.890 18.189 1.00 0.00 C ATOM 2329 C ASN B 591 70.816 5.354 18.443 1.00 0.00 C ATOM 2330 O ASN B 591 71.547 6.107 19.048 1.00 0.00 O ATOM 2331 CB ASN B 591 72.769 3.784 17.957 1.00 0.00 C ATOM 2332 CG ASN B 591 73.075 3.207 16.582 1.00 0.00 C ATOM 2333 OD1 ASN B 591 73.958 3.681 15.894 1.00 0.00 O ATOM 2334 ND2 ASN B 591 72.387 2.193 16.155 1.00 0.00 N ATOM 0 H ASN B 591 70.042 2.449 17.169 1.00 0.00 H new ATOM 0 HA ASN B 591 70.996 3.291 19.068 1.00 0.00 H new ATOM 0 HB2 ASN B 591 73.223 4.770 18.051 1.00 0.00 H new ATOM 0 HB3 ASN B 591 73.214 3.154 18.727 1.00 0.00 H new ATOM 0 HD21 ASN B 591 72.586 1.791 15.239 1.00 0.00 H new ATOM 0 HD22 ASN B 591 71.647 1.798 16.735 1.00 0.00 H new ATOM 2341 N ASP B 592 69.629 5.735 18.004 1.00 0.00 N ATOM 2342 CA ASP B 592 69.104 7.131 18.230 1.00 0.00 C ATOM 2343 C ASP B 592 69.625 8.116 17.179 1.00 0.00 C ATOM 2344 O ASP B 592 69.214 9.256 17.145 1.00 0.00 O ATOM 2345 CB ASP B 592 69.513 7.646 19.616 1.00 0.00 C ATOM 2346 CG ASP B 592 69.438 6.512 20.643 1.00 0.00 C ATOM 2347 OD1 ASP B 592 68.630 5.619 20.452 1.00 0.00 O ATOM 2348 OD2 ASP B 592 70.190 6.558 21.602 1.00 0.00 O ATOM 0 H ASP B 592 68.992 5.126 17.490 1.00 0.00 H new ATOM 0 HA ASP B 592 68.018 7.070 18.153 1.00 0.00 H new ATOM 0 HB2 ASP B 592 70.526 8.047 19.579 1.00 0.00 H new ATOM 0 HB3 ASP B 592 68.857 8.463 19.917 1.00 0.00 H new ATOM 2353 N LYS B 593 70.537 7.711 16.352 1.00 0.00 N ATOM 2354 CA LYS B 593 71.095 8.644 15.339 1.00 0.00 C ATOM 2355 C LYS B 593 70.214 8.666 14.071 1.00 0.00 C ATOM 2356 O LYS B 593 70.120 7.666 13.388 1.00 0.00 O ATOM 2357 CB LYS B 593 72.472 8.124 14.959 1.00 0.00 C ATOM 2358 CG LYS B 593 73.401 8.103 16.193 1.00 0.00 C ATOM 2359 CD LYS B 593 74.842 8.408 15.763 1.00 0.00 C ATOM 2360 CE LYS B 593 75.754 8.436 16.992 1.00 0.00 C ATOM 2361 NZ LYS B 593 75.585 9.732 17.706 1.00 0.00 N ATOM 0 H LYS B 593 70.925 6.768 16.332 1.00 0.00 H new ATOM 0 HA LYS B 593 71.137 9.653 15.750 1.00 0.00 H new ATOM 0 HB2 LYS B 593 72.386 7.120 14.544 1.00 0.00 H new ATOM 0 HB3 LYS B 593 72.904 8.755 14.182 1.00 0.00 H new ATOM 0 HG2 LYS B 593 73.066 8.839 16.924 1.00 0.00 H new ATOM 0 HG3 LYS B 593 73.355 7.128 16.678 1.00 0.00 H new ATOM 0 HD2 LYS B 593 75.189 7.652 15.058 1.00 0.00 H new ATOM 0 HD3 LYS B 593 74.882 9.367 15.247 1.00 0.00 H new ATOM 0 HE2 LYS B 593 75.511 7.608 17.657 1.00 0.00 H new ATOM 0 HE3 LYS B 593 76.793 8.308 16.690 1.00 0.00 H new ATOM 0 HZ1 LYS B 593 76.500 10.036 18.095 1.00 0.00 H new ATOM 0 HZ2 LYS B 593 75.235 10.451 17.041 1.00 0.00 H new ATOM 0 HZ3 LYS B 593 74.901 9.615 18.481 1.00 0.00 H new ATOM 2375 N PRO B 594 69.585 9.780 13.719 1.00 0.00 N ATOM 2376 CA PRO B 594 68.758 9.815 12.478 1.00 0.00 C ATOM 2377 C PRO B 594 69.541 9.358 11.239 1.00 0.00 C ATOM 2378 O PRO B 594 70.755 9.332 11.233 1.00 0.00 O ATOM 2379 CB PRO B 594 68.379 11.299 12.382 1.00 0.00 C ATOM 2380 CG PRO B 594 68.592 11.924 13.761 1.00 0.00 C ATOM 2381 CD PRO B 594 69.627 11.060 14.499 1.00 0.00 C ATOM 0 HA PRO B 594 67.903 9.140 12.517 1.00 0.00 H new ATOM 0 HB2 PRO B 594 68.993 11.803 11.635 1.00 0.00 H new ATOM 0 HB3 PRO B 594 67.341 11.409 12.069 1.00 0.00 H new ATOM 0 HG2 PRO B 594 68.945 12.951 13.667 1.00 0.00 H new ATOM 0 HG3 PRO B 594 67.655 11.959 14.316 1.00 0.00 H new ATOM 0 HD2 PRO B 594 70.619 11.512 14.486 1.00 0.00 H new ATOM 0 HD3 PRO B 594 69.360 10.909 15.545 1.00 0.00 H new ATOM 2389 N TYR B 595 68.848 9.005 10.194 1.00 0.00 N ATOM 2390 CA TYR B 595 69.543 8.553 8.951 1.00 0.00 C ATOM 2391 C TYR B 595 68.526 8.403 7.820 1.00 0.00 C ATOM 2392 O TYR B 595 67.452 7.875 8.017 1.00 0.00 O ATOM 2393 CB TYR B 595 70.159 7.160 9.168 1.00 0.00 C ATOM 2394 CG TYR B 595 71.495 7.221 9.879 1.00 0.00 C ATOM 2395 CD1 TYR B 595 72.578 7.887 9.295 1.00 0.00 C ATOM 2396 CD2 TYR B 595 71.662 6.562 11.100 1.00 0.00 C ATOM 2397 CE1 TYR B 595 73.825 7.892 9.938 1.00 0.00 C ATOM 2398 CE2 TYR B 595 72.904 6.573 11.743 1.00 0.00 C ATOM 2399 CZ TYR B 595 73.986 7.235 11.160 1.00 0.00 C ATOM 2400 OH TYR B 595 75.213 7.240 11.791 1.00 0.00 O ATOM 0 H TYR B 595 67.829 9.009 10.144 1.00 0.00 H new ATOM 0 HA TYR B 595 70.309 9.289 8.707 1.00 0.00 H new ATOM 0 HB2 TYR B 595 69.469 6.548 9.749 1.00 0.00 H new ATOM 0 HB3 TYR B 595 70.286 6.668 8.204 1.00 0.00 H new ATOM 0 HD1 TYR B 595 72.454 8.396 8.351 1.00 0.00 H new ATOM 0 HD2 TYR B 595 70.829 6.042 11.549 1.00 0.00 H new ATOM 0 HE1 TYR B 595 74.662 8.405 9.487 1.00 0.00 H new ATOM 0 HE2 TYR B 595 73.026 6.069 12.691 1.00 0.00 H new ATOM 0 HH TYR B 595 75.151 6.738 12.630 1.00 0.00 H new ATOM 2410 N CYS B 596 68.880 8.762 6.622 1.00 0.00 N ATOM 2411 CA CYS B 596 67.937 8.512 5.506 1.00 0.00 C ATOM 2412 C CYS B 596 67.962 7.008 5.320 1.00 0.00 C ATOM 2413 O CYS B 596 68.942 6.371 5.647 1.00 0.00 O ATOM 2414 CB CYS B 596 68.409 9.190 4.209 1.00 0.00 C ATOM 2415 SG CYS B 596 69.004 10.864 4.547 1.00 0.00 S ATOM 0 H CYS B 596 69.762 9.208 6.371 1.00 0.00 H new ATOM 0 HA CYS B 596 66.945 8.907 5.726 1.00 0.00 H new ATOM 0 HB2 CYS B 596 69.204 8.601 3.753 1.00 0.00 H new ATOM 0 HB3 CYS B 596 67.589 9.227 3.492 1.00 0.00 H new ATOM 2420 N GLN B 597 66.942 6.408 4.801 1.00 0.00 N ATOM 2421 CA GLN B 597 67.030 4.943 4.627 1.00 0.00 C ATOM 2422 C GLN B 597 68.255 4.694 3.743 1.00 0.00 C ATOM 2423 O GLN B 597 69.166 3.978 4.102 1.00 0.00 O ATOM 2424 CB GLN B 597 65.717 4.420 3.998 1.00 0.00 C ATOM 2425 CG GLN B 597 65.932 3.140 3.170 1.00 0.00 C ATOM 2426 CD GLN B 597 65.897 1.915 4.083 1.00 0.00 C ATOM 2427 OE1 GLN B 597 65.502 0.843 3.670 1.00 0.00 O ATOM 2428 NE2 GLN B 597 66.299 2.032 5.313 1.00 0.00 N ATOM 0 H GLN B 597 66.075 6.850 4.497 1.00 0.00 H new ATOM 0 HA GLN B 597 67.148 4.409 5.570 1.00 0.00 H new ATOM 0 HB2 GLN B 597 64.993 4.221 4.788 1.00 0.00 H new ATOM 0 HB3 GLN B 597 65.289 5.194 3.361 1.00 0.00 H new ATOM 0 HG2 GLN B 597 65.159 3.057 2.406 1.00 0.00 H new ATOM 0 HG3 GLN B 597 66.889 3.189 2.651 1.00 0.00 H new ATOM 0 HE21 GLN B 597 66.630 2.933 5.658 1.00 0.00 H new ATOM 0 HE22 GLN B 597 66.283 1.223 5.934 1.00 0.00 H new ATOM 2437 N ASN B 598 68.282 5.311 2.597 1.00 0.00 N ATOM 2438 CA ASN B 598 69.437 5.150 1.679 1.00 0.00 C ATOM 2439 C ASN B 598 70.740 5.308 2.466 1.00 0.00 C ATOM 2440 O ASN B 598 71.754 4.752 2.111 1.00 0.00 O ATOM 2441 CB ASN B 598 69.355 6.217 0.579 1.00 0.00 C ATOM 2442 CG ASN B 598 67.896 6.496 0.248 1.00 0.00 C ATOM 2443 OD1 ASN B 598 67.458 7.630 0.251 1.00 0.00 O ATOM 2444 ND2 ASN B 598 67.123 5.498 -0.038 1.00 0.00 N ATOM 0 H ASN B 598 67.544 5.926 2.255 1.00 0.00 H new ATOM 0 HA ASN B 598 69.415 4.159 1.225 1.00 0.00 H new ATOM 0 HB2 ASN B 598 69.845 7.133 0.909 1.00 0.00 H new ATOM 0 HB3 ASN B 598 69.882 5.877 -0.312 1.00 0.00 H new ATOM 0 HD21 ASN B 598 66.141 5.661 -0.262 1.00 0.00 H new ATOM 0 HD22 ASN B 598 67.495 4.548 -0.039 1.00 0.00 H new ATOM 2451 N CYS B 599 70.712 6.059 3.536 1.00 0.00 N ATOM 2452 CA CYS B 599 71.938 6.248 4.355 1.00 0.00 C ATOM 2453 C CYS B 599 72.048 5.089 5.349 1.00 0.00 C ATOM 2454 O CYS B 599 73.028 4.380 5.371 1.00 0.00 O ATOM 2455 CB CYS B 599 71.847 7.573 5.120 1.00 0.00 C ATOM 2456 SG CYS B 599 72.168 8.954 3.995 1.00 0.00 S ATOM 0 H CYS B 599 69.886 6.551 3.877 1.00 0.00 H new ATOM 0 HA CYS B 599 72.816 6.269 3.709 1.00 0.00 H new ATOM 0 HB2 CYS B 599 70.858 7.678 5.567 1.00 0.00 H new ATOM 0 HB3 CYS B 599 72.569 7.582 5.937 1.00 0.00 H new ATOM 2461 N PHE B 600 71.038 4.896 6.165 1.00 0.00 N ATOM 2462 CA PHE B 600 71.064 3.784 7.165 1.00 0.00 C ATOM 2463 C PHE B 600 71.249 2.452 6.436 1.00 0.00 C ATOM 2464 O PHE B 600 72.138 1.683 6.741 1.00 0.00 O ATOM 2465 CB PHE B 600 69.733 3.784 7.952 1.00 0.00 C ATOM 2466 CG PHE B 600 69.429 2.409 8.518 1.00 0.00 C ATOM 2467 CD1 PHE B 600 69.839 2.077 9.815 1.00 0.00 C ATOM 2468 CD2 PHE B 600 68.735 1.472 7.743 1.00 0.00 C ATOM 2469 CE1 PHE B 600 69.556 0.807 10.335 1.00 0.00 C ATOM 2470 CE2 PHE B 600 68.453 0.203 8.262 1.00 0.00 C ATOM 2471 CZ PHE B 600 68.864 -0.129 9.558 1.00 0.00 C ATOM 0 H PHE B 600 70.192 5.466 6.180 1.00 0.00 H new ATOM 0 HA PHE B 600 71.892 3.923 7.860 1.00 0.00 H new ATOM 0 HB2 PHE B 600 69.787 4.510 8.763 1.00 0.00 H new ATOM 0 HB3 PHE B 600 68.920 4.098 7.297 1.00 0.00 H new ATOM 0 HD1 PHE B 600 70.373 2.799 10.414 1.00 0.00 H new ATOM 0 HD2 PHE B 600 68.417 1.729 6.743 1.00 0.00 H new ATOM 0 HE1 PHE B 600 69.872 0.550 11.335 1.00 0.00 H new ATOM 0 HE2 PHE B 600 67.919 -0.519 7.663 1.00 0.00 H new ATOM 0 HZ PHE B 600 68.647 -1.108 9.959 1.00 0.00 H new ATOM 2481 N LEU B 601 70.407 2.167 5.484 1.00 0.00 N ATOM 2482 CA LEU B 601 70.531 0.882 4.752 1.00 0.00 C ATOM 2483 C LEU B 601 71.977 0.733 4.271 1.00 0.00 C ATOM 2484 O LEU B 601 72.551 -0.337 4.299 1.00 0.00 O ATOM 2485 CB LEU B 601 69.506 0.876 3.583 1.00 0.00 C ATOM 2486 CG LEU B 601 70.170 0.979 2.188 1.00 0.00 C ATOM 2487 CD1 LEU B 601 70.943 -0.321 1.843 1.00 0.00 C ATOM 2488 CD2 LEU B 601 69.072 1.222 1.142 1.00 0.00 C ATOM 0 H LEU B 601 69.640 2.768 5.183 1.00 0.00 H new ATOM 0 HA LEU B 601 70.306 0.028 5.391 1.00 0.00 H new ATOM 0 HB2 LEU B 601 68.916 -0.039 3.631 1.00 0.00 H new ATOM 0 HB3 LEU B 601 68.814 1.708 3.711 1.00 0.00 H new ATOM 0 HG LEU B 601 70.883 1.803 2.191 1.00 0.00 H new ATOM 0 HD11 LEU B 601 71.400 -0.222 0.858 1.00 0.00 H new ATOM 0 HD12 LEU B 601 71.720 -0.491 2.588 1.00 0.00 H new ATOM 0 HD13 LEU B 601 70.253 -1.165 1.840 1.00 0.00 H new ATOM 0 HD21 LEU B 601 69.523 1.297 0.152 1.00 0.00 H new ATOM 0 HD22 LEU B 601 68.365 0.392 1.157 1.00 0.00 H new ATOM 0 HD23 LEU B 601 68.548 2.149 1.373 1.00 0.00 H new ATOM 2500 N LYS B 602 72.560 1.805 3.827 1.00 0.00 N ATOM 2501 CA LYS B 602 73.965 1.741 3.334 1.00 0.00 C ATOM 2502 C LYS B 602 74.876 1.138 4.416 1.00 0.00 C ATOM 2503 O LYS B 602 75.888 0.538 4.121 1.00 0.00 O ATOM 2504 CB LYS B 602 74.459 3.177 2.996 1.00 0.00 C ATOM 2505 CG LYS B 602 75.042 3.257 1.580 1.00 0.00 C ATOM 2506 CD LYS B 602 76.246 2.318 1.443 1.00 0.00 C ATOM 2507 CE LYS B 602 77.109 2.757 0.257 1.00 0.00 C ATOM 2508 NZ LYS B 602 77.975 3.898 0.666 1.00 0.00 N ATOM 0 H LYS B 602 72.126 2.727 3.783 1.00 0.00 H new ATOM 0 HA LYS B 602 74.001 1.115 2.442 1.00 0.00 H new ATOM 0 HB2 LYS B 602 73.630 3.878 3.088 1.00 0.00 H new ATOM 0 HB3 LYS B 602 75.216 3.481 3.719 1.00 0.00 H new ATOM 0 HG2 LYS B 602 74.278 2.988 0.850 1.00 0.00 H new ATOM 0 HG3 LYS B 602 75.345 4.281 1.362 1.00 0.00 H new ATOM 0 HD2 LYS B 602 76.836 2.331 2.359 1.00 0.00 H new ATOM 0 HD3 LYS B 602 75.905 1.293 1.298 1.00 0.00 H new ATOM 0 HE2 LYS B 602 77.724 1.925 -0.086 1.00 0.00 H new ATOM 0 HE3 LYS B 602 76.474 3.050 -0.579 1.00 0.00 H new ATOM 0 HZ1 LYS B 602 78.326 4.389 -0.181 1.00 0.00 H new ATOM 0 HZ2 LYS B 602 77.424 4.561 1.247 1.00 0.00 H new ATOM 0 HZ3 LYS B 602 78.781 3.542 1.218 1.00 0.00 H new ATOM 2522 N LEU B 603 74.551 1.346 5.664 1.00 0.00 N ATOM 2523 CA LEU B 603 75.430 0.844 6.772 1.00 0.00 C ATOM 2524 C LEU B 603 74.974 -0.531 7.282 1.00 0.00 C ATOM 2525 O LEU B 603 75.738 -1.475 7.304 1.00 0.00 O ATOM 2526 CB LEU B 603 75.415 1.866 7.938 1.00 0.00 C ATOM 2527 CG LEU B 603 74.927 3.244 7.456 1.00 0.00 C ATOM 2528 CD1 LEU B 603 74.868 4.203 8.644 1.00 0.00 C ATOM 2529 CD2 LEU B 603 75.885 3.814 6.391 1.00 0.00 C ATOM 0 H LEU B 603 73.714 1.842 5.969 1.00 0.00 H new ATOM 0 HA LEU B 603 76.441 0.733 6.380 1.00 0.00 H new ATOM 0 HB2 LEU B 603 74.765 1.504 8.735 1.00 0.00 H new ATOM 0 HB3 LEU B 603 76.416 1.957 8.359 1.00 0.00 H new ATOM 0 HG LEU B 603 73.936 3.132 7.016 1.00 0.00 H new ATOM 0 HD11 LEU B 603 74.523 5.180 8.306 1.00 0.00 H new ATOM 0 HD12 LEU B 603 74.178 3.813 9.392 1.00 0.00 H new ATOM 0 HD13 LEU B 603 75.861 4.301 9.082 1.00 0.00 H new ATOM 0 HD21 LEU B 603 75.525 4.788 6.062 1.00 0.00 H new ATOM 0 HD22 LEU B 603 76.882 3.921 6.819 1.00 0.00 H new ATOM 0 HD23 LEU B 603 75.927 3.136 5.539 1.00 0.00 H new ATOM 2541 N PHE B 604 73.752 -0.642 7.727 1.00 0.00 N ATOM 2542 CA PHE B 604 73.271 -1.947 8.276 1.00 0.00 C ATOM 2543 C PHE B 604 72.682 -2.818 7.156 1.00 0.00 C ATOM 2544 O PHE B 604 71.882 -3.695 7.404 1.00 0.00 O ATOM 2545 CB PHE B 604 72.211 -1.667 9.366 1.00 0.00 C ATOM 2546 CG PHE B 604 72.868 -1.635 10.735 1.00 0.00 C ATOM 2547 CD1 PHE B 604 73.656 -0.538 11.115 1.00 0.00 C ATOM 2548 CD2 PHE B 604 72.694 -2.709 11.618 1.00 0.00 C ATOM 2549 CE1 PHE B 604 74.265 -0.518 12.375 1.00 0.00 C ATOM 2550 CE2 PHE B 604 73.304 -2.686 12.878 1.00 0.00 C ATOM 2551 CZ PHE B 604 74.089 -1.591 13.256 1.00 0.00 C ATOM 0 H PHE B 604 73.065 0.112 7.735 1.00 0.00 H new ATOM 0 HA PHE B 604 74.107 -2.492 8.714 1.00 0.00 H new ATOM 0 HB2 PHE B 604 71.717 -0.716 9.168 1.00 0.00 H new ATOM 0 HB3 PHE B 604 71.440 -2.437 9.342 1.00 0.00 H new ATOM 0 HD1 PHE B 604 73.793 0.290 10.436 1.00 0.00 H new ATOM 0 HD2 PHE B 604 72.089 -3.555 11.327 1.00 0.00 H new ATOM 0 HE1 PHE B 604 74.871 0.326 12.668 1.00 0.00 H new ATOM 0 HE2 PHE B 604 73.169 -3.514 13.558 1.00 0.00 H new ATOM 0 HZ PHE B 604 74.559 -1.574 14.228 1.00 0.00 H new ATOM 2561 N CYS B 605 73.090 -2.602 5.935 1.00 0.00 N ATOM 2562 CA CYS B 605 72.568 -3.438 4.811 1.00 0.00 C ATOM 2563 C CYS B 605 73.441 -3.210 3.571 1.00 0.00 C ATOM 2564 O CYS B 605 73.075 -2.377 2.758 1.00 0.00 O ATOM 2565 CB CYS B 605 71.110 -3.058 4.505 1.00 0.00 C ATOM 2566 SG CYS B 605 69.994 -4.046 5.533 1.00 0.00 S ATOM 2567 OXT CYS B 605 74.458 -3.873 3.458 1.00 0.00 O ATOM 0 H CYS B 605 73.762 -1.884 5.665 1.00 0.00 H new ATOM 0 HA CYS B 605 72.601 -4.490 5.093 1.00 0.00 H new ATOM 0 HB2 CYS B 605 70.953 -1.997 4.697 1.00 0.00 H new ATOM 0 HB3 CYS B 605 70.894 -3.227 3.450 1.00 0.00 H new ATOM 0 HG CYS B 605 70.541 -4.250 6.695 1.00 0.00 H new TER 2573 CYS B 605 HETATM 2574 ZN ZN B 701 64.500 24.942 13.638 1.00 0.00 ZN HETATM 2575 ZN ZN B 702 71.288 10.909 4.835 1.00 0.00 ZN