USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 ASN : amide:sc= -1.68! C(o=-2.9!,f=-1.8!) USER MOD Set 1.2: A 102 THR OG1 : rot -34:sc= -1.21! USER MOD Set 2.1: A 55 THR OG1 : rot -150:sc= -6.74! USER MOD Set 2.2: A 57 GLN : amide:sc= -2.39 K(o=-9.1,f=-7.6) USER MOD Single : A 1 VAL N :NH3+ 128:sc= 0.012 (180deg=-0.695) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 5 SER OG : rot -96:sc= 0.121 USER MOD Single : A 8 SER OG : rot 180:sc= 0.145 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.7!) USER MOD Single : A 14 HIS : no HD1:sc= -8.16! C(o=-8.2!,f=-9.5!) USER MOD Single : A 15 ASN : amide:sc= -2.3! C(o=-2.3!,f=-6!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 102:sc= -1.28! USER MOD Single : A 22 THR OG1 : rot 53:sc= -0.397! USER MOD Single : A 25 SER OG : rot 115:sc= 0.0434 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.21 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.229 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0088 USER MOD Single : A 32 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.131 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -90:sc= -1.98 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -160:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 157:sc= -0.0127 (180deg=-0.645) USER MOD Single : A 63 HIS : no HD1:sc= -5.46 K(o=-5.5,f=-8.2!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.765 USER MOD Single : A 67 SER OG : rot -170:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -151:sc= -0.04 (180deg=-1.17) USER MOD Single : A 78 SER OG : rot 26:sc= 0.00453 USER MOD Single : A 79 TYR OH : rot -8:sc= -6.91! USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.26 K(o=-1.3,f=-7.9!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -58:sc= 0.483! USER MOD Single : A 98 SER OG : rot 120:sc= -1.16! USER MOD Single : A 99 SER OG : rot 180:sc= 0.0666 USER MOD Single : A 100 SER OG : rot -1:sc= 0.908 USER MOD Single : A 101 SER OG : rot -140:sc= -0.628 USER MOD Single : A 104 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 107 ASN : amide:sc= -3.17! C(o=-3.2!,f=-3.3!) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.14! USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ -154:sc= -0.0424 (180deg=-0.768) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.933 13.909 -12.980 1.00 0.00 N ATOM 2 CA VAL A 1 -5.078 14.908 -13.686 1.00 0.00 C ATOM 3 C VAL A 1 -5.222 14.747 -15.202 1.00 0.00 C ATOM 4 O VAL A 1 -5.576 13.693 -15.693 1.00 0.00 O ATOM 5 CB VAL A 1 -3.651 14.589 -13.242 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.198 13.275 -13.883 1.00 0.00 C ATOM 7 CG2 VAL A 1 -2.716 15.718 -13.681 1.00 0.00 C ATOM 0 H1 VAL A 1 -5.359 13.389 -12.286 1.00 0.00 H new ATOM 0 H2 VAL A 1 -6.708 14.400 -12.490 1.00 0.00 H new ATOM 0 H3 VAL A 1 -6.329 13.241 -13.671 1.00 0.00 H new ATOM 0 HA VAL A 1 -5.357 15.935 -13.450 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.622 14.493 -12.157 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -2.180 13.048 -13.566 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.863 12.470 -13.572 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.227 13.371 -14.968 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -1.698 15.491 -13.365 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -2.746 15.814 -14.766 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -3.037 16.655 -13.225 1.00 0.00 H new ATOM 19 N LYS A 2 -4.956 15.785 -15.947 1.00 0.00 N ATOM 20 CA LYS A 2 -5.084 15.691 -17.430 1.00 0.00 C ATOM 21 C LYS A 2 -3.846 16.285 -18.111 1.00 0.00 C ATOM 22 O LYS A 2 -2.994 16.873 -17.474 1.00 0.00 O ATOM 23 CB LYS A 2 -6.331 16.513 -17.764 1.00 0.00 C ATOM 24 CG LYS A 2 -7.032 15.919 -18.988 1.00 0.00 C ATOM 25 CD LYS A 2 -8.302 16.722 -19.286 1.00 0.00 C ATOM 26 CE LYS A 2 -9.473 16.147 -18.485 1.00 0.00 C ATOM 27 NZ LYS A 2 -10.471 15.729 -19.510 1.00 0.00 N ATOM 0 H LYS A 2 -4.656 16.694 -15.594 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.166 14.661 -17.776 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.011 16.521 -16.912 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.053 17.549 -17.960 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.364 15.940 -19.849 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -7.283 14.874 -18.806 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.151 17.770 -19.027 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.525 16.686 -20.352 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.156 15.302 -17.874 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.891 16.891 -17.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.304 15.324 -19.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.759 16.556 -20.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.047 15.015 -20.137 1.00 0.00 H new ATOM 41 N CYS A 3 -3.742 16.132 -19.403 1.00 0.00 N ATOM 42 CA CYS A 3 -2.563 16.682 -20.134 1.00 0.00 C ATOM 43 C CYS A 3 -2.853 16.736 -21.633 1.00 0.00 C ATOM 44 O CYS A 3 -3.387 15.811 -22.207 1.00 0.00 O ATOM 45 CB CYS A 3 -1.422 15.710 -19.841 1.00 0.00 C ATOM 46 SG CYS A 3 -0.034 16.060 -20.944 1.00 0.00 S ATOM 0 H CYS A 3 -4.425 15.648 -19.986 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.319 17.697 -19.820 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.107 15.805 -18.802 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.760 14.683 -19.979 1.00 0.00 H new ATOM 51 N GLN A 4 -2.500 17.815 -22.269 1.00 0.00 N ATOM 52 CA GLN A 4 -2.745 17.934 -23.732 1.00 0.00 C ATOM 53 C GLN A 4 -1.416 18.061 -24.465 1.00 0.00 C ATOM 54 O GLN A 4 -0.359 17.994 -23.871 1.00 0.00 O ATOM 55 CB GLN A 4 -3.571 19.210 -23.900 1.00 0.00 C ATOM 56 CG GLN A 4 -2.963 20.327 -23.049 1.00 0.00 C ATOM 57 CD GLN A 4 -3.616 21.661 -23.415 1.00 0.00 C ATOM 58 OE1 GLN A 4 -4.818 21.740 -23.569 1.00 0.00 O ATOM 59 NE2 GLN A 4 -2.869 22.722 -23.561 1.00 0.00 N ATOM 0 H GLN A 4 -2.051 18.623 -21.838 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.261 17.064 -24.139 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.592 19.507 -24.948 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -4.603 19.030 -23.599 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.113 20.115 -21.990 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.887 20.379 -23.214 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.859 22.657 -23.432 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.295 23.616 -23.804 1.00 0.00 H new ATOM 68 N SER A 5 -1.466 18.240 -25.751 1.00 0.00 N ATOM 69 CA SER A 5 -0.205 18.373 -26.536 1.00 0.00 C ATOM 70 C SER A 5 0.812 19.223 -25.767 1.00 0.00 C ATOM 71 O SER A 5 0.455 20.177 -25.105 1.00 0.00 O ATOM 72 CB SER A 5 -0.611 19.065 -27.839 1.00 0.00 C ATOM 73 OG SER A 5 -1.948 19.536 -27.729 1.00 0.00 O ATOM 0 H SER A 5 -2.325 18.301 -26.297 1.00 0.00 H new ATOM 0 HA SER A 5 0.265 17.407 -26.722 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.063 19.896 -28.047 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.527 18.370 -28.674 1.00 0.00 H new ATOM 0 HG SER A 5 -2.560 18.880 -28.124 1.00 0.00 H new ATOM 79 N PRO A 6 2.049 18.830 -25.875 1.00 0.00 N ATOM 80 CA PRO A 6 3.150 19.543 -25.175 1.00 0.00 C ATOM 81 C PRO A 6 3.414 20.898 -25.827 1.00 0.00 C ATOM 82 O PRO A 6 2.958 21.161 -26.919 1.00 0.00 O ATOM 83 CB PRO A 6 4.349 18.622 -25.383 1.00 0.00 C ATOM 84 CG PRO A 6 4.036 17.869 -26.633 1.00 0.00 C ATOM 85 CD PRO A 6 2.542 17.691 -26.656 1.00 0.00 C ATOM 0 HA PRO A 6 2.929 19.741 -24.126 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.273 19.191 -25.485 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.482 17.948 -24.537 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.376 18.416 -27.512 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.543 16.904 -26.643 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.152 17.703 -27.674 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.244 16.741 -26.212 1.00 0.00 H new ATOM 93 N PRO A 7 4.173 21.707 -25.145 1.00 0.00 N ATOM 94 CA PRO A 7 4.536 23.033 -25.688 1.00 0.00 C ATOM 95 C PRO A 7 5.515 22.839 -26.844 1.00 0.00 C ATOM 96 O PRO A 7 5.978 21.744 -27.091 1.00 0.00 O ATOM 97 CB PRO A 7 5.203 23.736 -24.510 1.00 0.00 C ATOM 98 CG PRO A 7 5.705 22.628 -23.639 1.00 0.00 C ATOM 99 CD PRO A 7 4.757 21.470 -23.821 1.00 0.00 C ATOM 0 HA PRO A 7 3.692 23.604 -26.076 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.018 24.378 -24.843 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.496 24.370 -23.975 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.720 22.345 -23.919 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.738 22.941 -22.595 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.279 20.514 -23.778 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.993 21.451 -23.044 1.00 0.00 H new ATOM 107 N SER A 8 5.832 23.874 -27.561 1.00 0.00 N ATOM 108 CA SER A 8 6.778 23.702 -28.699 1.00 0.00 C ATOM 109 C SER A 8 8.217 23.617 -28.194 1.00 0.00 C ATOM 110 O SER A 8 8.811 24.602 -27.803 1.00 0.00 O ATOM 111 CB SER A 8 6.598 24.928 -29.584 1.00 0.00 C ATOM 112 OG SER A 8 5.768 25.875 -28.925 1.00 0.00 O ATOM 0 H SER A 8 5.484 24.822 -27.415 1.00 0.00 H new ATOM 0 HA SER A 8 6.577 22.781 -29.246 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.568 25.373 -29.808 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.152 24.639 -30.536 1.00 0.00 H new ATOM 0 HG SER A 8 5.655 26.664 -29.495 1.00 0.00 H new ATOM 118 N ILE A 9 8.769 22.436 -28.195 1.00 0.00 N ATOM 119 CA ILE A 9 10.181 22.259 -27.713 1.00 0.00 C ATOM 120 C ILE A 9 11.055 23.378 -28.245 1.00 0.00 C ATOM 121 O ILE A 9 10.653 24.166 -29.078 1.00 0.00 O ATOM 122 CB ILE A 9 10.706 20.888 -28.232 1.00 0.00 C ATOM 123 CG1 ILE A 9 11.977 21.048 -29.073 1.00 0.00 C ATOM 124 CG2 ILE A 9 9.668 20.175 -29.097 1.00 0.00 C ATOM 125 CD1 ILE A 9 12.410 19.685 -29.620 1.00 0.00 C ATOM 0 H ILE A 9 8.309 21.581 -28.508 1.00 0.00 H new ATOM 0 HA ILE A 9 10.209 22.286 -26.624 1.00 0.00 H new ATOM 0 HB ILE A 9 10.919 20.297 -27.341 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.795 21.740 -29.896 1.00 0.00 H new ATOM 0 HG13 ILE A 9 12.774 21.477 -28.466 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.072 19.223 -29.440 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.766 19.997 -28.511 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.424 20.796 -29.959 1.00 0.00 H new ATOM 0 HD11 ILE A 9 13.314 19.803 -30.217 1.00 0.00 H new ATOM 0 HD12 ILE A 9 12.609 19.007 -28.790 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.615 19.273 -30.242 1.00 0.00 H new ATOM 137 N SER A 10 12.270 23.428 -27.801 1.00 0.00 N ATOM 138 CA SER A 10 13.163 24.470 -28.316 1.00 0.00 C ATOM 139 C SER A 10 14.075 23.881 -29.394 1.00 0.00 C ATOM 140 O SER A 10 14.527 22.759 -29.291 1.00 0.00 O ATOM 141 CB SER A 10 13.962 24.967 -27.113 1.00 0.00 C ATOM 142 OG SER A 10 13.062 25.408 -26.105 1.00 0.00 O ATOM 0 H SER A 10 12.675 22.796 -27.110 1.00 0.00 H new ATOM 0 HA SER A 10 12.619 25.293 -28.780 1.00 0.00 H new ATOM 0 HB2 SER A 10 14.596 24.169 -26.727 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.621 25.782 -27.411 1.00 0.00 H new ATOM 0 HG SER A 10 13.570 25.727 -25.330 1.00 0.00 H new ATOM 148 N ASN A 11 14.330 24.624 -30.438 1.00 0.00 N ATOM 149 CA ASN A 11 15.194 24.102 -31.536 1.00 0.00 C ATOM 150 C ASN A 11 14.525 22.890 -32.188 1.00 0.00 C ATOM 151 O ASN A 11 15.156 22.117 -32.881 1.00 0.00 O ATOM 152 CB ASN A 11 16.508 23.696 -30.866 1.00 0.00 C ATOM 153 CG ASN A 11 16.992 24.828 -29.957 1.00 0.00 C ATOM 154 OD1 ASN A 11 16.542 24.957 -28.837 1.00 0.00 O ATOM 155 ND2 ASN A 11 17.897 25.658 -30.397 1.00 0.00 N ATOM 0 H ASN A 11 13.977 25.571 -30.578 1.00 0.00 H new ATOM 0 HA ASN A 11 15.359 24.842 -32.319 1.00 0.00 H new ATOM 0 HB2 ASN A 11 16.365 22.785 -30.285 1.00 0.00 H new ATOM 0 HB3 ASN A 11 17.261 23.476 -31.623 1.00 0.00 H new ATOM 0 HD21 ASN A 11 18.227 26.416 -29.800 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.275 25.549 -31.338 1.00 0.00 H new ATOM 162 N GLY A 12 13.248 22.717 -31.967 1.00 0.00 N ATOM 163 CA GLY A 12 12.539 21.554 -32.570 1.00 0.00 C ATOM 164 C GLY A 12 11.025 21.746 -32.438 1.00 0.00 C ATOM 165 O GLY A 12 10.547 22.830 -32.165 1.00 0.00 O ATOM 0 H GLY A 12 12.668 23.331 -31.396 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.812 21.454 -33.620 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.843 20.633 -32.073 1.00 0.00 H new ATOM 169 N ARG A 13 10.267 20.699 -32.628 1.00 0.00 N ATOM 170 CA ARG A 13 8.782 20.816 -32.515 1.00 0.00 C ATOM 171 C ARG A 13 8.200 19.591 -31.822 1.00 0.00 C ATOM 172 O ARG A 13 8.907 18.748 -31.307 1.00 0.00 O ATOM 173 CB ARG A 13 8.270 20.896 -33.951 1.00 0.00 C ATOM 174 CG ARG A 13 7.957 22.350 -34.299 1.00 0.00 C ATOM 175 CD ARG A 13 8.025 22.542 -35.816 1.00 0.00 C ATOM 176 NE ARG A 13 6.989 21.624 -36.364 1.00 0.00 N ATOM 177 CZ ARG A 13 6.300 21.970 -37.417 1.00 0.00 C ATOM 178 NH1 ARG A 13 6.768 21.726 -38.610 1.00 0.00 N ATOM 179 NH2 ARG A 13 5.143 22.556 -37.278 1.00 0.00 N ATOM 0 H ARG A 13 10.611 19.767 -32.857 1.00 0.00 H new ATOM 0 HA ARG A 13 8.492 21.686 -31.927 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.018 20.499 -34.638 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.376 20.283 -34.064 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.966 22.617 -33.933 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.668 23.013 -33.806 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.823 23.577 -36.093 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.015 22.296 -36.202 1.00 0.00 H new ATOM 0 HE ARG A 13 6.818 20.724 -35.916 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.671 21.265 -38.719 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.230 21.996 -39.434 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.776 22.744 -36.345 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.606 22.826 -38.102 1.00 0.00 H new ATOM 193 N HIS A 14 6.906 19.498 -31.811 1.00 0.00 N ATOM 194 CA HIS A 14 6.239 18.338 -31.157 1.00 0.00 C ATOM 195 C HIS A 14 4.933 17.997 -31.880 1.00 0.00 C ATOM 196 O HIS A 14 4.135 18.862 -32.181 1.00 0.00 O ATOM 197 CB HIS A 14 5.970 18.797 -29.726 1.00 0.00 C ATOM 198 CG HIS A 14 4.768 19.698 -29.687 1.00 0.00 C ATOM 199 ND1 HIS A 14 3.530 19.246 -29.267 1.00 0.00 N ATOM 200 CD2 HIS A 14 4.607 21.032 -29.965 1.00 0.00 C ATOM 201 CE1 HIS A 14 2.688 20.287 -29.290 1.00 0.00 C ATOM 202 NE2 HIS A 14 3.289 21.404 -29.713 1.00 0.00 N ATOM 0 H HIS A 14 6.273 20.180 -32.229 1.00 0.00 H new ATOM 0 HA HIS A 14 6.851 17.436 -31.184 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.806 17.932 -29.084 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.841 19.323 -29.335 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.383 21.692 -30.324 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.649 20.231 -29.002 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.872 22.328 -29.826 1.00 0.00 H new ATOM 210 N ASN A 15 4.709 16.744 -32.160 1.00 0.00 N ATOM 211 CA ASN A 15 3.454 16.354 -32.863 1.00 0.00 C ATOM 212 C ASN A 15 3.259 14.837 -32.796 1.00 0.00 C ATOM 213 O ASN A 15 3.478 14.130 -33.761 1.00 0.00 O ATOM 214 CB ASN A 15 3.655 16.808 -34.309 1.00 0.00 C ATOM 215 CG ASN A 15 2.869 18.097 -34.552 1.00 0.00 C ATOM 216 OD1 ASN A 15 2.272 18.639 -33.643 1.00 0.00 O ATOM 217 ND2 ASN A 15 2.844 18.615 -35.750 1.00 0.00 N ATOM 0 H ASN A 15 5.339 15.974 -31.933 1.00 0.00 H new ATOM 0 HA ASN A 15 2.570 16.806 -32.413 1.00 0.00 H new ATOM 0 HB2 ASN A 15 4.714 16.973 -34.506 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.320 16.030 -34.996 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.323 19.475 -35.923 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.345 18.160 -36.513 1.00 0.00 H new ATOM 224 N GLY A 16 2.848 14.332 -31.666 1.00 0.00 N ATOM 225 CA GLY A 16 2.638 12.862 -31.540 1.00 0.00 C ATOM 226 C GLY A 16 1.507 12.430 -32.473 1.00 0.00 C ATOM 227 O GLY A 16 1.693 12.290 -33.665 1.00 0.00 O ATOM 0 H GLY A 16 2.648 14.873 -30.825 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.555 12.329 -31.791 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.392 12.605 -30.509 1.00 0.00 H new ATOM 231 N TYR A 17 0.335 12.219 -31.942 1.00 0.00 N ATOM 232 CA TYR A 17 -0.809 11.796 -32.798 1.00 0.00 C ATOM 233 C TYR A 17 -2.085 11.717 -31.956 1.00 0.00 C ATOM 234 O TYR A 17 -2.901 10.834 -32.128 1.00 0.00 O ATOM 235 CB TYR A 17 -0.421 10.413 -33.320 1.00 0.00 C ATOM 236 CG TYR A 17 -0.771 10.310 -34.786 1.00 0.00 C ATOM 237 CD1 TYR A 17 0.040 10.928 -35.746 1.00 0.00 C ATOM 238 CD2 TYR A 17 -1.906 9.595 -35.184 1.00 0.00 C ATOM 239 CE1 TYR A 17 -0.284 10.830 -37.104 1.00 0.00 C ATOM 240 CE2 TYR A 17 -2.231 9.497 -36.543 1.00 0.00 C ATOM 241 CZ TYR A 17 -1.420 10.115 -37.502 1.00 0.00 C ATOM 242 OH TYR A 17 -1.739 10.017 -38.841 1.00 0.00 O ATOM 0 H TYR A 17 0.119 12.321 -30.950 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.004 12.495 -33.611 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.647 10.245 -33.178 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.943 9.640 -32.756 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.916 11.480 -35.438 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.531 9.119 -34.443 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.342 11.306 -37.845 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.107 8.945 -36.851 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.556 9.486 -38.945 1.00 0.00 H new ATOM 252 N GLU A 18 -2.257 12.633 -31.043 1.00 0.00 N ATOM 253 CA GLU A 18 -3.476 12.610 -30.182 1.00 0.00 C ATOM 254 C GLU A 18 -3.793 14.018 -29.671 1.00 0.00 C ATOM 255 O GLU A 18 -3.225 14.994 -30.118 1.00 0.00 O ATOM 256 CB GLU A 18 -3.136 11.677 -29.011 1.00 0.00 C ATOM 257 CG GLU A 18 -1.656 11.816 -28.635 1.00 0.00 C ATOM 258 CD GLU A 18 -0.862 10.678 -29.281 1.00 0.00 C ATOM 259 OE1 GLU A 18 -1.295 9.543 -29.171 1.00 0.00 O ATOM 260 OE2 GLU A 18 0.164 10.961 -29.876 1.00 0.00 O ATOM 0 H GLU A 18 -1.607 13.396 -30.855 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.353 12.265 -30.730 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.761 11.918 -28.151 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.354 10.645 -29.284 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.272 12.779 -28.971 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.540 11.787 -27.552 1.00 0.00 H new ATOM 267 N ASP A 19 -4.700 14.128 -28.739 1.00 0.00 N ATOM 268 CA ASP A 19 -5.058 15.471 -28.200 1.00 0.00 C ATOM 269 C ASP A 19 -4.965 15.466 -26.673 1.00 0.00 C ATOM 270 O ASP A 19 -4.539 16.427 -26.063 1.00 0.00 O ATOM 271 CB ASP A 19 -6.501 15.706 -28.649 1.00 0.00 C ATOM 272 CG ASP A 19 -6.507 16.325 -30.048 1.00 0.00 C ATOM 273 OD1 ASP A 19 -5.900 15.745 -30.933 1.00 0.00 O ATOM 274 OD2 ASP A 19 -7.118 17.368 -30.210 1.00 0.00 O ATOM 0 H ASP A 19 -5.209 13.346 -28.327 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.388 16.253 -28.557 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.049 14.764 -28.655 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.009 16.366 -27.946 1.00 0.00 H new ATOM 279 N PHE A 20 -5.358 14.388 -26.050 1.00 0.00 N ATOM 280 CA PHE A 20 -5.290 14.320 -24.563 1.00 0.00 C ATOM 281 C PHE A 20 -4.227 13.305 -24.131 1.00 0.00 C ATOM 282 O PHE A 20 -4.314 12.132 -24.436 1.00 0.00 O ATOM 283 CB PHE A 20 -6.681 13.862 -24.124 1.00 0.00 C ATOM 284 CG PHE A 20 -7.496 15.059 -23.695 1.00 0.00 C ATOM 285 CD1 PHE A 20 -6.915 16.055 -22.899 1.00 0.00 C ATOM 286 CD2 PHE A 20 -8.834 15.172 -24.091 1.00 0.00 C ATOM 287 CE1 PHE A 20 -7.673 17.163 -22.501 1.00 0.00 C ATOM 288 CE2 PHE A 20 -9.591 16.281 -23.693 1.00 0.00 C ATOM 289 CZ PHE A 20 -9.011 17.276 -22.898 1.00 0.00 C ATOM 0 H PHE A 20 -5.723 13.552 -26.507 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.017 15.276 -24.116 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.180 13.344 -24.943 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.598 13.152 -23.301 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.883 15.968 -22.593 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -9.283 14.404 -24.704 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.225 17.931 -21.887 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -10.623 16.368 -24.000 1.00 0.00 H new ATOM 0 HZ PHE A 20 -9.595 18.131 -22.591 1.00 0.00 H new ATOM 299 N TYR A 21 -3.224 13.749 -23.426 1.00 0.00 N ATOM 300 CA TYR A 21 -2.151 12.818 -22.977 1.00 0.00 C ATOM 301 C TYR A 21 -2.308 12.500 -21.485 1.00 0.00 C ATOM 302 O TYR A 21 -1.693 11.594 -20.959 1.00 0.00 O ATOM 303 CB TYR A 21 -0.853 13.575 -23.227 1.00 0.00 C ATOM 304 CG TYR A 21 -0.258 13.137 -24.547 1.00 0.00 C ATOM 305 CD1 TYR A 21 -0.277 11.785 -24.920 1.00 0.00 C ATOM 306 CD2 TYR A 21 0.317 14.086 -25.399 1.00 0.00 C ATOM 307 CE1 TYR A 21 0.282 11.387 -26.140 1.00 0.00 C ATOM 308 CE2 TYR A 21 0.876 13.688 -26.617 1.00 0.00 C ATOM 309 CZ TYR A 21 0.859 12.339 -26.988 1.00 0.00 C ATOM 310 OH TYR A 21 1.414 11.948 -28.190 1.00 0.00 O ATOM 0 H TYR A 21 -3.101 14.720 -23.140 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.182 11.865 -23.506 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.043 14.648 -23.240 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.148 13.386 -22.418 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.723 11.051 -24.266 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.329 15.128 -25.115 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.268 10.346 -26.427 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.321 14.422 -27.272 1.00 0.00 H new ATOM 0 HH TYR A 21 0.796 12.161 -28.920 1.00 0.00 H new ATOM 320 N THR A 22 -3.130 13.242 -20.803 1.00 0.00 N ATOM 321 CA THR A 22 -3.344 13.004 -19.344 1.00 0.00 C ATOM 322 C THR A 22 -2.018 12.795 -18.598 1.00 0.00 C ATOM 323 O THR A 22 -1.366 13.740 -18.200 1.00 0.00 O ATOM 324 CB THR A 22 -4.220 11.750 -19.260 1.00 0.00 C ATOM 325 OG1 THR A 22 -3.890 10.865 -20.321 1.00 0.00 O ATOM 326 CG2 THR A 22 -5.694 12.146 -19.364 1.00 0.00 C ATOM 0 H THR A 22 -3.671 14.013 -21.195 1.00 0.00 H new ATOM 0 HA THR A 22 -3.815 13.866 -18.871 1.00 0.00 H new ATOM 0 HB THR A 22 -4.045 11.252 -18.306 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.925 10.693 -20.315 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.316 11.253 -19.304 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.948 12.821 -18.546 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.870 12.647 -20.316 1.00 0.00 H new ATOM 334 N ASP A 23 -1.628 11.572 -18.375 1.00 0.00 N ATOM 335 CA ASP A 23 -0.362 11.323 -17.626 1.00 0.00 C ATOM 336 C ASP A 23 0.295 10.033 -18.118 1.00 0.00 C ATOM 337 O ASP A 23 -0.359 9.147 -18.630 1.00 0.00 O ATOM 338 CB ASP A 23 -0.811 11.196 -16.168 1.00 0.00 C ATOM 339 CG ASP A 23 0.231 10.413 -15.362 1.00 0.00 C ATOM 340 OD1 ASP A 23 0.154 9.196 -15.357 1.00 0.00 O ATOM 341 OD2 ASP A 23 1.088 11.044 -14.766 1.00 0.00 O ATOM 0 H ASP A 23 -2.128 10.736 -18.677 1.00 0.00 H new ATOM 0 HA ASP A 23 0.378 12.112 -17.760 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.948 12.186 -15.734 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.775 10.690 -16.119 1.00 0.00 H new ATOM 346 N GLY A 24 1.586 9.928 -17.980 1.00 0.00 N ATOM 347 CA GLY A 24 2.282 8.703 -18.456 1.00 0.00 C ATOM 348 C GLY A 24 2.322 8.734 -19.981 1.00 0.00 C ATOM 349 O GLY A 24 2.503 7.726 -20.634 1.00 0.00 O ATOM 0 H GLY A 24 2.188 10.636 -17.559 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.293 8.660 -18.051 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.761 7.811 -18.108 1.00 0.00 H new ATOM 353 N SER A 25 2.148 9.896 -20.548 1.00 0.00 N ATOM 354 CA SER A 25 2.168 10.021 -22.030 1.00 0.00 C ATOM 355 C SER A 25 3.535 10.496 -22.499 1.00 0.00 C ATOM 356 O SER A 25 4.376 10.883 -21.712 1.00 0.00 O ATOM 357 CB SER A 25 1.121 11.077 -22.352 1.00 0.00 C ATOM 358 OG SER A 25 -0.171 10.487 -22.299 1.00 0.00 O ATOM 0 H SER A 25 1.992 10.769 -20.044 1.00 0.00 H new ATOM 0 HA SER A 25 1.965 9.070 -22.522 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.187 11.900 -21.641 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.302 11.496 -23.342 1.00 0.00 H new ATOM 0 HG SER A 25 -0.682 10.884 -21.563 1.00 0.00 H new ATOM 364 N VAL A 26 3.760 10.482 -23.778 1.00 0.00 N ATOM 365 CA VAL A 26 5.069 10.944 -24.295 1.00 0.00 C ATOM 366 C VAL A 26 4.896 11.585 -25.662 1.00 0.00 C ATOM 367 O VAL A 26 3.951 11.312 -26.374 1.00 0.00 O ATOM 368 CB VAL A 26 5.930 9.687 -24.387 1.00 0.00 C ATOM 369 CG1 VAL A 26 7.174 9.977 -25.224 1.00 0.00 C ATOM 370 CG2 VAL A 26 6.353 9.260 -22.985 1.00 0.00 C ATOM 0 H VAL A 26 3.095 10.171 -24.486 1.00 0.00 H new ATOM 0 HA VAL A 26 5.526 11.696 -23.651 1.00 0.00 H new ATOM 0 HB VAL A 26 5.355 8.889 -24.857 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.787 9.078 -25.288 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.875 10.284 -26.226 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.749 10.776 -24.756 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.968 8.362 -23.048 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.927 10.061 -22.518 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.467 9.051 -22.385 1.00 0.00 H new ATOM 380 N VAL A 27 5.792 12.451 -26.029 1.00 0.00 N ATOM 381 CA VAL A 27 5.657 13.118 -27.345 1.00 0.00 C ATOM 382 C VAL A 27 6.967 13.132 -28.100 1.00 0.00 C ATOM 383 O VAL A 27 7.897 13.828 -27.747 1.00 0.00 O ATOM 384 CB VAL A 27 5.211 14.531 -27.016 1.00 0.00 C ATOM 385 CG1 VAL A 27 5.475 15.462 -28.203 1.00 0.00 C ATOM 386 CG2 VAL A 27 3.730 14.486 -26.727 1.00 0.00 C ATOM 0 H VAL A 27 6.606 12.724 -25.479 1.00 0.00 H new ATOM 0 HA VAL A 27 4.950 12.596 -27.990 1.00 0.00 H new ATOM 0 HB VAL A 27 5.764 14.910 -26.156 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.150 16.472 -27.953 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.541 15.469 -28.429 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.922 15.108 -29.073 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.376 15.488 -26.486 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.199 14.115 -27.604 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.544 13.823 -25.882 1.00 0.00 H new ATOM 396 N THR A 28 7.041 12.398 -29.163 1.00 0.00 N ATOM 397 CA THR A 28 8.284 12.421 -29.944 1.00 0.00 C ATOM 398 C THR A 28 8.407 13.798 -30.579 1.00 0.00 C ATOM 399 O THR A 28 7.728 14.118 -31.534 1.00 0.00 O ATOM 400 CB THR A 28 8.142 11.327 -31.002 1.00 0.00 C ATOM 401 OG1 THR A 28 6.889 10.672 -30.847 1.00 0.00 O ATOM 402 CG2 THR A 28 9.276 10.318 -30.834 1.00 0.00 C ATOM 0 H THR A 28 6.302 11.791 -29.518 1.00 0.00 H new ATOM 0 HA THR A 28 9.176 12.241 -29.344 1.00 0.00 H new ATOM 0 HB THR A 28 8.192 11.770 -31.997 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.799 9.972 -31.527 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.180 9.535 -31.586 1.00 0.00 H new ATOM 0 HG22 THR A 28 10.234 10.824 -30.956 1.00 0.00 H new ATOM 0 HG23 THR A 28 9.224 9.875 -29.840 1.00 0.00 H new ATOM 410 N TYR A 29 9.244 14.627 -30.035 1.00 0.00 N ATOM 411 CA TYR A 29 9.384 15.998 -30.587 1.00 0.00 C ATOM 412 C TYR A 29 10.021 15.940 -31.976 1.00 0.00 C ATOM 413 O TYR A 29 10.299 14.881 -32.501 1.00 0.00 O ATOM 414 CB TYR A 29 10.332 16.718 -29.626 1.00 0.00 C ATOM 415 CG TYR A 29 9.590 17.424 -28.508 1.00 0.00 C ATOM 416 CD1 TYR A 29 8.188 17.528 -28.497 1.00 0.00 C ATOM 417 CD2 TYR A 29 10.334 17.988 -27.468 1.00 0.00 C ATOM 418 CE1 TYR A 29 7.549 18.194 -27.446 1.00 0.00 C ATOM 419 CE2 TYR A 29 9.694 18.651 -26.422 1.00 0.00 C ATOM 420 CZ TYR A 29 8.302 18.756 -26.407 1.00 0.00 C ATOM 421 OH TYR A 29 7.670 19.412 -25.371 1.00 0.00 O ATOM 0 H TYR A 29 9.838 14.416 -29.233 1.00 0.00 H new ATOM 0 HA TYR A 29 8.421 16.500 -30.681 1.00 0.00 H new ATOM 0 HB2 TYR A 29 11.029 15.997 -29.198 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.926 17.445 -30.181 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.606 17.095 -29.297 1.00 0.00 H new ATOM 0 HD2 TYR A 29 11.411 17.910 -27.475 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.472 18.275 -27.435 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.276 19.084 -25.622 1.00 0.00 H new ATOM 0 HH TYR A 29 8.339 19.741 -24.735 1.00 0.00 H new ATOM 431 N SER A 30 10.273 17.075 -32.563 1.00 0.00 N ATOM 432 CA SER A 30 10.912 17.096 -33.908 1.00 0.00 C ATOM 433 C SER A 30 12.040 18.127 -33.915 1.00 0.00 C ATOM 434 O SER A 30 12.040 19.061 -33.139 1.00 0.00 O ATOM 435 CB SER A 30 9.806 17.501 -34.879 1.00 0.00 C ATOM 436 OG SER A 30 8.558 17.018 -34.398 1.00 0.00 O ATOM 0 H SER A 30 10.064 17.992 -32.169 1.00 0.00 H new ATOM 0 HA SER A 30 11.344 16.133 -34.181 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.774 18.586 -34.980 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.009 17.094 -35.870 1.00 0.00 H new ATOM 0 HG SER A 30 7.845 17.278 -35.019 1.00 0.00 H new ATOM 442 N CYS A 31 13.004 17.966 -34.775 1.00 0.00 N ATOM 443 CA CYS A 31 14.129 18.943 -34.811 1.00 0.00 C ATOM 444 C CYS A 31 14.316 19.495 -36.225 1.00 0.00 C ATOM 445 O CYS A 31 14.220 18.779 -37.202 1.00 0.00 O ATOM 446 CB CYS A 31 15.361 18.148 -34.379 1.00 0.00 C ATOM 447 SG CYS A 31 15.144 17.571 -32.677 1.00 0.00 S ATOM 0 H CYS A 31 13.064 17.205 -35.452 1.00 0.00 H new ATOM 0 HA CYS A 31 13.947 19.799 -34.162 1.00 0.00 H new ATOM 0 HB2 CYS A 31 15.510 17.299 -35.046 1.00 0.00 H new ATOM 0 HB3 CYS A 31 16.252 18.771 -34.452 1.00 0.00 H new ATOM 452 N ASN A 32 14.583 20.766 -36.334 1.00 0.00 N ATOM 453 CA ASN A 32 14.782 21.384 -37.676 1.00 0.00 C ATOM 454 C ASN A 32 16.217 21.175 -38.150 1.00 0.00 C ATOM 455 O ASN A 32 17.054 20.682 -37.421 1.00 0.00 O ATOM 456 CB ASN A 32 14.531 22.870 -37.459 1.00 0.00 C ATOM 457 CG ASN A 32 13.048 23.181 -37.668 1.00 0.00 C ATOM 458 OD1 ASN A 32 12.387 22.542 -38.463 1.00 0.00 O ATOM 459 ND2 ASN A 32 12.494 24.144 -36.984 1.00 0.00 N ATOM 0 H ASN A 32 14.673 21.408 -35.547 1.00 0.00 H new ATOM 0 HA ASN A 32 14.123 20.948 -38.427 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.833 23.156 -36.452 1.00 0.00 H new ATOM 0 HB3 ASN A 32 15.136 23.455 -38.152 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.506 24.361 -37.116 1.00 0.00 H new ATOM 0 HD22 ASN A 32 13.049 24.680 -36.317 1.00 0.00 H new ATOM 466 N SER A 33 16.511 21.564 -39.361 1.00 0.00 N ATOM 467 CA SER A 33 17.901 21.401 -39.871 1.00 0.00 C ATOM 468 C SER A 33 18.452 20.044 -39.464 1.00 0.00 C ATOM 469 O SER A 33 17.731 19.160 -39.046 1.00 0.00 O ATOM 470 CB SER A 33 18.697 22.519 -39.200 1.00 0.00 C ATOM 471 OG SER A 33 20.022 22.526 -39.715 1.00 0.00 O ATOM 0 H SER A 33 15.852 21.985 -40.016 1.00 0.00 H new ATOM 0 HA SER A 33 17.952 21.454 -40.958 1.00 0.00 H new ATOM 0 HB2 SER A 33 18.219 23.481 -39.382 1.00 0.00 H new ATOM 0 HB3 SER A 33 18.715 22.371 -38.120 1.00 0.00 H new ATOM 0 HG SER A 33 20.535 23.243 -39.288 1.00 0.00 H new ATOM 477 N GLY A 34 19.728 19.880 -39.582 1.00 0.00 N ATOM 478 CA GLY A 34 20.354 18.586 -39.200 1.00 0.00 C ATOM 479 C GLY A 34 20.510 18.511 -37.681 1.00 0.00 C ATOM 480 O GLY A 34 21.546 18.125 -37.177 1.00 0.00 O ATOM 0 H GLY A 34 20.375 20.588 -39.929 1.00 0.00 H new ATOM 0 HA2 GLY A 34 19.740 17.757 -39.552 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.328 18.488 -39.680 1.00 0.00 H new ATOM 484 N TYR A 35 19.503 18.883 -36.942 1.00 0.00 N ATOM 485 CA TYR A 35 19.623 18.836 -35.461 1.00 0.00 C ATOM 486 C TYR A 35 19.193 17.472 -34.914 1.00 0.00 C ATOM 487 O TYR A 35 18.025 17.138 -34.884 1.00 0.00 O ATOM 488 CB TYR A 35 18.695 19.936 -34.965 1.00 0.00 C ATOM 489 CG TYR A 35 19.364 21.273 -35.166 1.00 0.00 C ATOM 490 CD1 TYR A 35 20.708 21.445 -34.809 1.00 0.00 C ATOM 491 CD2 TYR A 35 18.639 22.341 -35.701 1.00 0.00 C ATOM 492 CE1 TYR A 35 21.325 22.688 -34.990 1.00 0.00 C ATOM 493 CE2 TYR A 35 19.255 23.585 -35.881 1.00 0.00 C ATOM 494 CZ TYR A 35 20.598 23.759 -35.524 1.00 0.00 C ATOM 495 OH TYR A 35 21.205 24.986 -35.701 1.00 0.00 O ATOM 0 H TYR A 35 18.607 19.216 -37.298 1.00 0.00 H new ATOM 0 HA TYR A 35 20.651 18.981 -35.129 1.00 0.00 H new ATOM 0 HB2 TYR A 35 17.750 19.903 -35.507 1.00 0.00 H new ATOM 0 HB3 TYR A 35 18.464 19.786 -33.910 1.00 0.00 H new ATOM 0 HD1 TYR A 35 21.267 20.619 -34.395 1.00 0.00 H new ATOM 0 HD2 TYR A 35 17.603 22.207 -35.976 1.00 0.00 H new ATOM 0 HE1 TYR A 35 22.362 22.821 -34.718 1.00 0.00 H new ATOM 0 HE2 TYR A 35 18.695 24.410 -36.295 1.00 0.00 H new ATOM 0 HH TYR A 35 20.560 25.618 -36.082 1.00 0.00 H new ATOM 505 N SER A 36 20.139 16.690 -34.469 1.00 0.00 N ATOM 506 CA SER A 36 19.811 15.351 -33.904 1.00 0.00 C ATOM 507 C SER A 36 18.893 15.496 -32.693 1.00 0.00 C ATOM 508 O SER A 36 19.070 16.375 -31.869 1.00 0.00 O ATOM 509 CB SER A 36 21.153 14.763 -33.468 1.00 0.00 C ATOM 510 OG SER A 36 21.130 13.356 -33.671 1.00 0.00 O ATOM 0 H SER A 36 21.132 16.924 -34.473 1.00 0.00 H new ATOM 0 HA SER A 36 19.296 14.720 -34.629 1.00 0.00 H new ATOM 0 HB2 SER A 36 21.965 15.213 -34.040 1.00 0.00 H new ATOM 0 HB3 SER A 36 21.340 14.989 -32.418 1.00 0.00 H new ATOM 0 HG SER A 36 20.797 12.914 -32.862 1.00 0.00 H new ATOM 516 N LEU A 37 17.922 14.632 -32.568 1.00 0.00 N ATOM 517 CA LEU A 37 17.012 14.716 -31.396 1.00 0.00 C ATOM 518 C LEU A 37 17.643 13.987 -30.214 1.00 0.00 C ATOM 519 O LEU A 37 17.622 12.774 -30.137 1.00 0.00 O ATOM 520 CB LEU A 37 15.718 14.021 -31.821 1.00 0.00 C ATOM 521 CG LEU A 37 14.764 13.967 -30.625 1.00 0.00 C ATOM 522 CD1 LEU A 37 13.473 14.713 -30.961 1.00 0.00 C ATOM 523 CD2 LEU A 37 14.434 12.509 -30.299 1.00 0.00 C ATOM 0 H LEU A 37 17.722 13.877 -33.224 1.00 0.00 H new ATOM 0 HA LEU A 37 16.825 15.746 -31.092 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.255 14.560 -32.647 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.932 13.013 -32.178 1.00 0.00 H new ATOM 0 HG LEU A 37 15.241 14.436 -29.765 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.797 14.672 -30.107 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.703 15.753 -31.192 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.997 14.246 -31.824 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.755 12.471 -29.447 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.960 12.041 -31.162 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.352 11.974 -30.055 1.00 0.00 H new ATOM 535 N ILE A 38 18.202 14.710 -29.287 1.00 0.00 N ATOM 536 CA ILE A 38 18.827 14.041 -28.111 1.00 0.00 C ATOM 537 C ILE A 38 17.807 13.981 -26.972 1.00 0.00 C ATOM 538 O ILE A 38 16.930 14.814 -26.869 1.00 0.00 O ATOM 539 CB ILE A 38 20.052 14.882 -27.700 1.00 0.00 C ATOM 540 CG1 ILE A 38 20.522 15.805 -28.840 1.00 0.00 C ATOM 541 CG2 ILE A 38 21.195 13.943 -27.336 1.00 0.00 C ATOM 542 CD1 ILE A 38 20.888 14.973 -30.076 1.00 0.00 C ATOM 0 H ILE A 38 18.254 15.729 -29.290 1.00 0.00 H new ATOM 0 HA ILE A 38 19.137 13.023 -28.347 1.00 0.00 H new ATOM 0 HB ILE A 38 19.764 15.503 -26.852 1.00 0.00 H new ATOM 0 HG12 ILE A 38 19.735 16.516 -29.091 1.00 0.00 H new ATOM 0 HG13 ILE A 38 21.385 16.387 -28.515 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.067 14.528 -27.044 1.00 0.00 H new ATOM 0 HG22 ILE A 38 20.891 13.305 -26.506 1.00 0.00 H new ATOM 0 HG23 ILE A 38 21.446 13.324 -28.197 1.00 0.00 H new ATOM 0 HD11 ILE A 38 21.219 15.636 -30.876 1.00 0.00 H new ATOM 0 HD12 ILE A 38 21.691 14.280 -29.824 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.015 14.411 -30.408 1.00 0.00 H new ATOM 554 N GLY A 39 17.901 12.997 -26.125 1.00 0.00 N ATOM 555 CA GLY A 39 16.921 12.885 -25.009 1.00 0.00 C ATOM 556 C GLY A 39 16.332 11.475 -25.009 1.00 0.00 C ATOM 557 O GLY A 39 17.010 10.512 -25.304 1.00 0.00 O ATOM 0 H GLY A 39 18.612 12.266 -26.156 1.00 0.00 H new ATOM 0 HA2 GLY A 39 17.409 13.090 -24.056 1.00 0.00 H new ATOM 0 HA3 GLY A 39 16.129 13.625 -25.127 1.00 0.00 H new ATOM 561 N ASN A 40 15.072 11.342 -24.695 1.00 0.00 N ATOM 562 CA ASN A 40 14.454 9.986 -24.698 1.00 0.00 C ATOM 563 C ASN A 40 13.390 9.905 -25.786 1.00 0.00 C ATOM 564 O ASN A 40 12.278 9.471 -25.558 1.00 0.00 O ATOM 565 CB ASN A 40 13.840 9.811 -23.310 1.00 0.00 C ATOM 566 CG ASN A 40 14.878 9.199 -22.367 1.00 0.00 C ATOM 567 OD1 ASN A 40 15.915 9.784 -22.125 1.00 0.00 O ATOM 568 ND2 ASN A 40 14.643 8.036 -21.823 1.00 0.00 N ATOM 0 H ASN A 40 14.448 12.107 -24.438 1.00 0.00 H new ATOM 0 HA ASN A 40 15.180 9.200 -24.906 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.506 10.774 -22.924 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.961 9.168 -23.368 1.00 0.00 H new ATOM 0 HD21 ASN A 40 15.330 7.619 -21.195 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.773 7.545 -22.026 1.00 0.00 H new ATOM 575 N SER A 41 13.756 10.316 -26.968 1.00 0.00 N ATOM 576 CA SER A 41 12.823 10.287 -28.141 1.00 0.00 C ATOM 577 C SER A 41 11.354 10.342 -27.706 1.00 0.00 C ATOM 578 O SER A 41 10.596 9.423 -27.949 1.00 0.00 O ATOM 579 CB SER A 41 13.118 8.962 -28.841 1.00 0.00 C ATOM 580 OG SER A 41 13.732 9.220 -30.097 1.00 0.00 O ATOM 0 H SER A 41 14.685 10.681 -27.180 1.00 0.00 H new ATOM 0 HA SER A 41 12.975 11.151 -28.788 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.773 8.349 -28.222 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.195 8.399 -28.983 1.00 0.00 H new ATOM 0 HG SER A 41 13.924 8.371 -30.548 1.00 0.00 H new ATOM 586 N GLY A 42 10.938 11.407 -27.074 1.00 0.00 N ATOM 587 CA GLY A 42 9.512 11.494 -26.646 1.00 0.00 C ATOM 588 C GLY A 42 9.403 12.166 -25.276 1.00 0.00 C ATOM 589 O GLY A 42 9.847 11.636 -24.277 1.00 0.00 O ATOM 0 H GLY A 42 11.517 12.213 -26.838 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.939 12.059 -27.381 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.078 10.495 -26.603 1.00 0.00 H new ATOM 593 N VAL A 43 8.786 13.317 -25.216 1.00 0.00 N ATOM 594 CA VAL A 43 8.626 13.996 -23.890 1.00 0.00 C ATOM 595 C VAL A 43 7.866 13.050 -22.968 1.00 0.00 C ATOM 596 O VAL A 43 7.501 11.963 -23.364 1.00 0.00 O ATOM 597 CB VAL A 43 7.775 15.263 -24.102 1.00 0.00 C ATOM 598 CG1 VAL A 43 8.197 16.329 -23.089 1.00 0.00 C ATOM 599 CG2 VAL A 43 7.948 15.834 -25.508 1.00 0.00 C ATOM 0 H VAL A 43 8.390 13.813 -26.014 1.00 0.00 H new ATOM 0 HA VAL A 43 9.594 14.254 -23.462 1.00 0.00 H new ATOM 0 HB VAL A 43 6.729 14.987 -23.968 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.597 17.227 -23.235 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.044 15.951 -22.078 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.251 16.569 -23.231 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.331 16.726 -25.617 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.994 16.094 -25.669 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.642 15.090 -26.243 1.00 0.00 H new ATOM 609 N LEU A 44 7.595 13.449 -21.758 1.00 0.00 N ATOM 610 CA LEU A 44 6.824 12.555 -20.853 1.00 0.00 C ATOM 611 C LEU A 44 5.872 13.379 -19.987 1.00 0.00 C ATOM 612 O LEU A 44 6.281 14.040 -19.051 1.00 0.00 O ATOM 613 CB LEU A 44 7.863 11.842 -19.987 1.00 0.00 C ATOM 614 CG LEU A 44 7.154 11.083 -18.860 1.00 0.00 C ATOM 615 CD1 LEU A 44 6.844 9.656 -19.313 1.00 0.00 C ATOM 616 CD2 LEU A 44 8.057 11.041 -17.626 1.00 0.00 C ATOM 0 H LEU A 44 7.871 14.346 -21.359 1.00 0.00 H new ATOM 0 HA LEU A 44 6.215 11.842 -21.409 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.446 11.150 -20.595 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.562 12.566 -19.569 1.00 0.00 H new ATOM 0 HG LEU A 44 6.223 11.593 -18.614 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.340 9.120 -18.509 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.198 9.685 -20.190 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.773 9.144 -19.564 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.553 10.501 -16.824 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.989 10.534 -17.874 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.273 12.058 -17.299 1.00 0.00 H new ATOM 628 N CYS A 45 4.601 13.339 -20.282 1.00 0.00 N ATOM 629 CA CYS A 45 3.629 14.113 -19.459 1.00 0.00 C ATOM 630 C CYS A 45 3.158 13.266 -18.282 1.00 0.00 C ATOM 631 O CYS A 45 2.424 12.311 -18.449 1.00 0.00 O ATOM 632 CB CYS A 45 2.450 14.425 -20.376 1.00 0.00 C ATOM 633 SG CYS A 45 1.593 15.897 -19.760 1.00 0.00 S ATOM 0 H CYS A 45 4.196 12.807 -21.052 1.00 0.00 H new ATOM 0 HA CYS A 45 4.078 15.023 -19.061 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.800 14.592 -21.395 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.765 13.578 -20.409 1.00 0.00 H new ATOM 638 N SER A 46 3.566 13.603 -17.096 1.00 0.00 N ATOM 639 CA SER A 46 3.127 12.808 -15.917 1.00 0.00 C ATOM 640 C SER A 46 2.508 13.729 -14.861 1.00 0.00 C ATOM 641 O SER A 46 3.111 14.695 -14.436 1.00 0.00 O ATOM 642 CB SER A 46 4.398 12.152 -15.380 1.00 0.00 C ATOM 643 OG SER A 46 4.961 11.325 -16.390 1.00 0.00 O ATOM 0 H SER A 46 4.181 14.390 -16.889 1.00 0.00 H new ATOM 0 HA SER A 46 2.370 12.068 -16.177 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.115 12.915 -15.077 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.169 11.560 -14.494 1.00 0.00 H new ATOM 0 HG SER A 46 5.566 10.673 -15.979 1.00 0.00 H new ATOM 649 N GLY A 47 1.310 13.437 -14.435 1.00 0.00 N ATOM 650 CA GLY A 47 0.652 14.293 -13.409 1.00 0.00 C ATOM 651 C GLY A 47 0.276 15.641 -14.027 1.00 0.00 C ATOM 652 O GLY A 47 0.213 16.649 -13.351 1.00 0.00 O ATOM 0 H GLY A 47 0.758 12.641 -14.754 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.239 13.797 -13.025 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.323 14.444 -12.563 1.00 0.00 H new ATOM 656 N GLY A 48 0.021 15.668 -15.307 1.00 0.00 N ATOM 657 CA GLY A 48 -0.355 16.952 -15.965 1.00 0.00 C ATOM 658 C GLY A 48 0.870 17.863 -16.048 1.00 0.00 C ATOM 659 O GLY A 48 0.754 19.072 -16.090 1.00 0.00 O ATOM 0 H GLY A 48 0.057 14.857 -15.925 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.746 16.760 -16.964 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.148 17.443 -15.401 1.00 0.00 H new ATOM 663 N GLU A 49 2.044 17.295 -16.075 1.00 0.00 N ATOM 664 CA GLU A 49 3.274 18.133 -16.158 1.00 0.00 C ATOM 665 C GLU A 49 4.250 17.538 -17.174 1.00 0.00 C ATOM 666 O GLU A 49 4.763 16.451 -16.995 1.00 0.00 O ATOM 667 CB GLU A 49 3.875 18.097 -14.752 1.00 0.00 C ATOM 668 CG GLU A 49 3.348 19.281 -13.938 1.00 0.00 C ATOM 669 CD GLU A 49 2.743 18.774 -12.628 1.00 0.00 C ATOM 670 OE1 GLU A 49 2.471 17.588 -12.542 1.00 0.00 O ATOM 671 OE2 GLU A 49 2.561 19.582 -11.731 1.00 0.00 O ATOM 0 H GLU A 49 2.205 16.288 -16.043 1.00 0.00 H new ATOM 0 HA GLU A 49 3.059 19.151 -16.482 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.616 17.160 -14.259 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.963 18.137 -14.809 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.157 19.981 -13.730 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.597 19.824 -14.511 1.00 0.00 H new ATOM 678 N TRP A 50 4.514 18.243 -18.239 1.00 0.00 N ATOM 679 CA TRP A 50 5.460 17.719 -19.263 1.00 0.00 C ATOM 680 C TRP A 50 6.897 17.873 -18.769 1.00 0.00 C ATOM 681 O TRP A 50 7.268 18.894 -18.226 1.00 0.00 O ATOM 682 CB TRP A 50 5.223 18.589 -20.498 1.00 0.00 C ATOM 683 CG TRP A 50 3.957 18.164 -21.164 1.00 0.00 C ATOM 684 CD1 TRP A 50 2.775 18.816 -21.081 1.00 0.00 C ATOM 685 CD2 TRP A 50 3.727 17.002 -22.007 1.00 0.00 C ATOM 686 NE1 TRP A 50 1.832 18.125 -21.821 1.00 0.00 N ATOM 687 CE2 TRP A 50 2.372 16.999 -22.412 1.00 0.00 C ATOM 688 CE3 TRP A 50 4.559 15.962 -22.454 1.00 0.00 C ATOM 689 CZ2 TRP A 50 1.856 15.995 -23.232 1.00 0.00 C ATOM 690 CZ3 TRP A 50 4.049 14.950 -23.279 1.00 0.00 C ATOM 691 CH2 TRP A 50 2.701 14.965 -23.667 1.00 0.00 C ATOM 0 H TRP A 50 4.115 19.159 -18.444 1.00 0.00 H new ATOM 0 HA TRP A 50 5.304 16.661 -19.474 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.162 19.639 -20.211 1.00 0.00 H new ATOM 0 HB3 TRP A 50 6.060 18.495 -21.189 1.00 0.00 H new ATOM 0 HD1 TRP A 50 2.597 19.726 -20.528 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.858 18.412 -21.918 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.598 15.942 -22.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.818 16.011 -23.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 4.697 14.155 -23.618 1.00 0.00 H new ATOM 0 HH2 TRP A 50 2.314 14.182 -24.302 1.00 0.00 H new ATOM 702 N SER A 51 7.711 16.868 -18.945 1.00 0.00 N ATOM 703 CA SER A 51 9.120 16.975 -18.473 1.00 0.00 C ATOM 704 C SER A 51 10.038 16.047 -19.272 1.00 0.00 C ATOM 705 O SER A 51 9.593 15.230 -20.060 1.00 0.00 O ATOM 706 CB SER A 51 9.077 16.549 -17.005 1.00 0.00 C ATOM 707 OG SER A 51 9.736 17.527 -16.212 1.00 0.00 O ATOM 0 H SER A 51 7.464 15.985 -19.391 1.00 0.00 H new ATOM 0 HA SER A 51 9.514 17.983 -18.601 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.044 16.435 -16.678 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.559 15.579 -16.882 1.00 0.00 H new ATOM 0 HG SER A 51 9.708 17.257 -15.270 1.00 0.00 H new ATOM 713 N ASP A 52 11.321 16.175 -19.062 1.00 0.00 N ATOM 714 CA ASP A 52 12.309 15.319 -19.782 1.00 0.00 C ATOM 715 C ASP A 52 12.104 15.391 -21.296 1.00 0.00 C ATOM 716 O ASP A 52 11.777 14.410 -21.933 1.00 0.00 O ATOM 717 CB ASP A 52 12.063 13.902 -19.263 1.00 0.00 C ATOM 718 CG ASP A 52 13.285 13.426 -18.476 1.00 0.00 C ATOM 719 OD1 ASP A 52 14.277 13.094 -19.104 1.00 0.00 O ATOM 720 OD2 ASP A 52 13.209 13.402 -17.259 1.00 0.00 O ATOM 0 H ASP A 52 11.732 16.846 -18.413 1.00 0.00 H new ATOM 0 HA ASP A 52 13.333 15.647 -19.602 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.178 13.885 -18.626 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.869 13.227 -20.096 1.00 0.00 H new ATOM 725 N PRO A 53 12.325 16.564 -21.814 1.00 0.00 N ATOM 726 CA PRO A 53 12.195 16.815 -23.260 1.00 0.00 C ATOM 727 C PRO A 53 13.548 16.609 -23.947 1.00 0.00 C ATOM 728 O PRO A 53 14.579 16.911 -23.379 1.00 0.00 O ATOM 729 CB PRO A 53 11.799 18.285 -23.312 1.00 0.00 C ATOM 730 CG PRO A 53 12.330 18.894 -22.040 1.00 0.00 C ATOM 731 CD PRO A 53 12.710 17.771 -21.097 1.00 0.00 C ATOM 0 HA PRO A 53 11.484 16.156 -23.758 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.224 18.775 -24.188 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.717 18.397 -23.378 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.196 19.521 -22.252 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.576 19.535 -21.583 1.00 0.00 H new ATOM 0 HD2 PRO A 53 13.777 17.780 -20.875 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.186 17.854 -20.145 1.00 0.00 H new ATOM 739 N PRO A 54 13.504 16.110 -25.150 1.00 0.00 N ATOM 740 CA PRO A 54 14.749 15.879 -25.910 1.00 0.00 C ATOM 741 C PRO A 54 15.247 17.193 -26.516 1.00 0.00 C ATOM 742 O PRO A 54 14.604 18.219 -26.411 1.00 0.00 O ATOM 743 CB PRO A 54 14.329 14.888 -26.990 1.00 0.00 C ATOM 744 CG PRO A 54 12.853 15.091 -27.171 1.00 0.00 C ATOM 745 CD PRO A 54 12.310 15.718 -25.906 1.00 0.00 C ATOM 0 HA PRO A 54 15.569 15.501 -25.300 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.867 15.071 -27.920 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.550 13.864 -26.690 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.659 15.734 -28.029 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.359 14.140 -27.368 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.680 16.579 -26.128 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.698 15.012 -25.344 1.00 0.00 H new ATOM 753 N THR A 55 16.394 17.173 -27.133 1.00 0.00 N ATOM 754 CA THR A 55 16.942 18.426 -27.727 1.00 0.00 C ATOM 755 C THR A 55 17.012 18.329 -29.244 1.00 0.00 C ATOM 756 O THR A 55 16.642 17.339 -29.840 1.00 0.00 O ATOM 757 CB THR A 55 18.360 18.534 -27.171 1.00 0.00 C ATOM 758 OG1 THR A 55 18.998 17.277 -27.278 1.00 0.00 O ATOM 759 CG2 THR A 55 18.307 18.949 -25.706 1.00 0.00 C ATOM 0 H THR A 55 16.977 16.344 -27.252 1.00 0.00 H new ATOM 0 HA THR A 55 16.316 19.285 -27.485 1.00 0.00 H new ATOM 0 HB THR A 55 18.916 19.281 -27.738 1.00 0.00 H new ATOM 0 HG1 THR A 55 19.652 17.179 -26.555 1.00 0.00 H new ATOM 0 HG21 THR A 55 19.321 19.025 -25.312 1.00 0.00 H new ATOM 0 HG22 THR A 55 17.811 19.916 -25.619 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.752 18.204 -25.137 1.00 0.00 H new ATOM 767 N CYS A 56 17.527 19.350 -29.859 1.00 0.00 N ATOM 768 CA CYS A 56 17.686 19.348 -31.334 1.00 0.00 C ATOM 769 C CYS A 56 19.014 20.002 -31.657 1.00 0.00 C ATOM 770 O CYS A 56 19.086 21.126 -32.113 1.00 0.00 O ATOM 771 CB CYS A 56 16.513 20.157 -31.889 1.00 0.00 C ATOM 772 SG CYS A 56 14.966 19.266 -31.591 1.00 0.00 S ATOM 0 H CYS A 56 17.850 20.199 -29.395 1.00 0.00 H new ATOM 0 HA CYS A 56 17.684 18.348 -31.768 1.00 0.00 H new ATOM 0 HB2 CYS A 56 16.477 21.137 -31.414 1.00 0.00 H new ATOM 0 HB3 CYS A 56 16.647 20.325 -32.957 1.00 0.00 H new ATOM 777 N GLN A 57 20.070 19.296 -31.397 1.00 0.00 N ATOM 778 CA GLN A 57 21.422 19.848 -31.653 1.00 0.00 C ATOM 779 C GLN A 57 22.123 19.017 -32.715 1.00 0.00 C ATOM 780 O GLN A 57 21.601 18.032 -33.184 1.00 0.00 O ATOM 781 CB GLN A 57 22.185 19.756 -30.320 1.00 0.00 C ATOM 782 CG GLN A 57 21.399 18.959 -29.268 1.00 0.00 C ATOM 783 CD GLN A 57 22.192 18.915 -27.961 1.00 0.00 C ATOM 784 OE1 GLN A 57 23.399 18.769 -27.973 1.00 0.00 O ATOM 785 NE2 GLN A 57 21.562 19.035 -26.824 1.00 0.00 N ATOM 0 H GLN A 57 20.055 18.351 -31.014 1.00 0.00 H new ATOM 0 HA GLN A 57 21.374 20.877 -32.011 1.00 0.00 H new ATOM 0 HB2 GLN A 57 23.153 19.283 -30.487 1.00 0.00 H new ATOM 0 HB3 GLN A 57 22.382 20.760 -29.944 1.00 0.00 H new ATOM 0 HG2 GLN A 57 20.426 19.420 -29.100 1.00 0.00 H new ATOM 0 HG3 GLN A 57 21.214 17.947 -29.627 1.00 0.00 H new ATOM 0 HE21 GLN A 57 20.549 19.158 -26.812 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.082 19.006 -25.947 1.00 0.00 H new ATOM 794 N ILE A 58 23.305 19.394 -33.095 1.00 0.00 N ATOM 795 CA ILE A 58 24.020 18.601 -34.126 1.00 0.00 C ATOM 796 C ILE A 58 24.831 17.506 -33.440 1.00 0.00 C ATOM 797 O ILE A 58 25.338 17.686 -32.351 1.00 0.00 O ATOM 798 CB ILE A 58 24.936 19.571 -34.886 1.00 0.00 C ATOM 799 CG1 ILE A 58 24.468 21.025 -34.710 1.00 0.00 C ATOM 800 CG2 ILE A 58 24.885 19.213 -36.367 1.00 0.00 C ATOM 801 CD1 ILE A 58 25.135 21.915 -35.761 1.00 0.00 C ATOM 0 H ILE A 58 23.805 20.210 -32.741 1.00 0.00 H new ATOM 0 HA ILE A 58 23.329 18.122 -34.820 1.00 0.00 H new ATOM 0 HB ILE A 58 25.949 19.485 -34.493 1.00 0.00 H new ATOM 0 HG12 ILE A 58 23.384 21.082 -34.807 1.00 0.00 H new ATOM 0 HG13 ILE A 58 24.718 21.378 -33.710 1.00 0.00 H new ATOM 0 HG21 ILE A 58 25.529 19.890 -36.927 1.00 0.00 H new ATOM 0 HG22 ILE A 58 25.228 18.188 -36.506 1.00 0.00 H new ATOM 0 HG23 ILE A 58 23.861 19.305 -36.728 1.00 0.00 H new ATOM 0 HD11 ILE A 58 24.800 22.944 -35.632 1.00 0.00 H new ATOM 0 HD12 ILE A 58 26.218 21.868 -35.643 1.00 0.00 H new ATOM 0 HD13 ILE A 58 24.863 21.567 -36.758 1.00 0.00 H new ATOM 813 N VAL A 59 24.942 16.367 -34.058 1.00 0.00 N ATOM 814 CA VAL A 59 25.706 15.257 -33.425 1.00 0.00 C ATOM 815 C VAL A 59 26.707 14.685 -34.400 1.00 0.00 C ATOM 816 O VAL A 59 26.909 13.492 -34.478 1.00 0.00 O ATOM 817 CB VAL A 59 24.655 14.210 -33.077 1.00 0.00 C ATOM 818 CG1 VAL A 59 23.616 14.825 -32.140 1.00 0.00 C ATOM 819 CG2 VAL A 59 23.982 13.747 -34.367 1.00 0.00 C ATOM 0 H VAL A 59 24.539 16.155 -34.971 1.00 0.00 H new ATOM 0 HA VAL A 59 26.266 15.589 -32.551 1.00 0.00 H new ATOM 0 HB VAL A 59 25.121 13.360 -32.579 1.00 0.00 H new ATOM 0 HG11 VAL A 59 22.863 14.077 -31.890 1.00 0.00 H new ATOM 0 HG12 VAL A 59 24.105 15.166 -31.228 1.00 0.00 H new ATOM 0 HG13 VAL A 59 23.137 15.671 -32.633 1.00 0.00 H new ATOM 0 HG21 VAL A 59 23.226 12.997 -34.134 1.00 0.00 H new ATOM 0 HG22 VAL A 59 23.509 14.598 -34.857 1.00 0.00 H new ATOM 0 HG23 VAL A 59 24.729 13.315 -35.032 1.00 0.00 H new ATOM 829 N LYS A 60 27.342 15.528 -35.131 1.00 0.00 N ATOM 830 CA LYS A 60 28.343 15.032 -36.108 1.00 0.00 C ATOM 831 C LYS A 60 29.644 14.695 -35.377 1.00 0.00 C ATOM 832 O LYS A 60 30.418 15.564 -35.028 1.00 0.00 O ATOM 833 CB LYS A 60 28.546 16.176 -37.101 1.00 0.00 C ATOM 834 CG LYS A 60 27.569 16.012 -38.267 1.00 0.00 C ATOM 835 CD LYS A 60 26.361 16.926 -38.054 1.00 0.00 C ATOM 836 CE LYS A 60 25.653 17.155 -39.392 1.00 0.00 C ATOM 837 NZ LYS A 60 25.316 15.791 -39.887 1.00 0.00 N ATOM 0 H LYS A 60 27.219 16.540 -35.103 1.00 0.00 H new ATOM 0 HA LYS A 60 28.019 14.126 -36.619 1.00 0.00 H new ATOM 0 HB2 LYS A 60 28.384 17.134 -36.608 1.00 0.00 H new ATOM 0 HB3 LYS A 60 29.572 16.176 -37.468 1.00 0.00 H new ATOM 0 HG2 LYS A 60 28.063 16.258 -39.207 1.00 0.00 H new ATOM 0 HG3 LYS A 60 27.244 14.974 -38.340 1.00 0.00 H new ATOM 0 HD2 LYS A 60 25.673 16.476 -37.338 1.00 0.00 H new ATOM 0 HD3 LYS A 60 26.682 17.879 -37.632 1.00 0.00 H new ATOM 0 HE2 LYS A 60 24.756 17.762 -39.266 1.00 0.00 H new ATOM 0 HE3 LYS A 60 26.298 17.682 -40.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 24.523 15.851 -40.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 26.143 15.381 -40.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 25.046 15.187 -39.084 1.00 0.00 H new ATOM 851 N CYS A 61 29.875 13.437 -35.125 1.00 0.00 N ATOM 852 CA CYS A 61 31.108 13.025 -34.395 1.00 0.00 C ATOM 853 C CYS A 61 32.345 13.154 -35.281 1.00 0.00 C ATOM 854 O CYS A 61 32.248 13.250 -36.489 1.00 0.00 O ATOM 855 CB CYS A 61 30.849 11.572 -34.014 1.00 0.00 C ATOM 856 SG CYS A 61 29.267 11.478 -33.142 1.00 0.00 S ATOM 0 H CYS A 61 29.259 12.671 -35.395 1.00 0.00 H new ATOM 0 HA CYS A 61 31.306 13.653 -33.526 1.00 0.00 H new ATOM 0 HB2 CYS A 61 30.828 10.945 -34.905 1.00 0.00 H new ATOM 0 HB3 CYS A 61 31.653 11.198 -33.380 1.00 0.00 H new ATOM 861 N PRO A 62 33.475 13.158 -34.631 1.00 0.00 N ATOM 862 CA PRO A 62 34.772 13.287 -35.339 1.00 0.00 C ATOM 863 C PRO A 62 35.087 12.013 -36.122 1.00 0.00 C ATOM 864 O PRO A 62 34.744 11.882 -37.279 1.00 0.00 O ATOM 865 CB PRO A 62 35.776 13.492 -34.206 1.00 0.00 C ATOM 866 CG PRO A 62 35.134 12.881 -33.003 1.00 0.00 C ATOM 867 CD PRO A 62 33.648 13.040 -33.178 1.00 0.00 C ATOM 0 HA PRO A 62 34.783 14.098 -36.067 1.00 0.00 H new ATOM 0 HB2 PRO A 62 36.728 13.012 -34.431 1.00 0.00 H new ATOM 0 HB3 PRO A 62 35.982 14.551 -34.048 1.00 0.00 H new ATOM 0 HG2 PRO A 62 35.403 11.828 -32.914 1.00 0.00 H new ATOM 0 HG3 PRO A 62 35.471 13.375 -32.092 1.00 0.00 H new ATOM 0 HD2 PRO A 62 33.105 12.183 -32.779 1.00 0.00 H new ATOM 0 HD3 PRO A 62 33.277 13.923 -32.658 1.00 0.00 H new ATOM 875 N HIS A 63 35.745 11.079 -35.499 1.00 0.00 N ATOM 876 CA HIS A 63 36.093 9.817 -36.202 1.00 0.00 C ATOM 877 C HIS A 63 36.684 8.824 -35.209 1.00 0.00 C ATOM 878 O HIS A 63 37.539 9.176 -34.421 1.00 0.00 O ATOM 879 CB HIS A 63 37.149 10.217 -37.217 1.00 0.00 C ATOM 880 CG HIS A 63 36.589 10.102 -38.605 1.00 0.00 C ATOM 881 ND1 HIS A 63 37.388 10.177 -39.734 1.00 0.00 N ATOM 882 CD2 HIS A 63 35.310 9.920 -39.060 1.00 0.00 C ATOM 883 CE1 HIS A 63 36.586 10.043 -40.806 1.00 0.00 C ATOM 884 NE2 HIS A 63 35.308 9.883 -40.451 1.00 0.00 N ATOM 0 H HIS A 63 36.058 11.136 -34.530 1.00 0.00 H new ATOM 0 HA HIS A 63 35.227 9.347 -36.667 1.00 0.00 H new ATOM 0 HB2 HIS A 63 37.477 11.240 -37.031 1.00 0.00 H new ATOM 0 HB3 HIS A 63 38.026 9.578 -37.115 1.00 0.00 H new ATOM 0 HD2 HIS A 63 34.436 9.820 -38.434 1.00 0.00 H new ATOM 0 HE1 HIS A 63 36.933 10.062 -41.829 1.00 0.00 H new ATOM 0 HE2 HIS A 63 34.504 9.760 -41.067 1.00 0.00 H new ATOM 892 N PRO A 64 36.215 7.613 -35.271 1.00 0.00 N ATOM 893 CA PRO A 64 36.718 6.578 -34.355 1.00 0.00 C ATOM 894 C PRO A 64 37.972 5.922 -34.956 1.00 0.00 C ATOM 895 O PRO A 64 37.900 4.893 -35.598 1.00 0.00 O ATOM 896 CB PRO A 64 35.567 5.592 -34.293 1.00 0.00 C ATOM 897 CG PRO A 64 34.828 5.746 -35.590 1.00 0.00 C ATOM 898 CD PRO A 64 35.187 7.091 -36.176 1.00 0.00 C ATOM 0 HA PRO A 64 37.006 6.954 -33.373 1.00 0.00 H new ATOM 0 HB2 PRO A 64 35.932 4.572 -34.169 1.00 0.00 H new ATOM 0 HB3 PRO A 64 34.916 5.803 -33.444 1.00 0.00 H new ATOM 0 HG2 PRO A 64 35.098 4.946 -36.279 1.00 0.00 H new ATOM 0 HG3 PRO A 64 33.753 5.677 -35.426 1.00 0.00 H new ATOM 0 HD2 PRO A 64 35.564 6.994 -37.194 1.00 0.00 H new ATOM 0 HD3 PRO A 64 34.321 7.751 -36.218 1.00 0.00 H new ATOM 906 N THR A 65 39.115 6.526 -34.767 1.00 0.00 N ATOM 907 CA THR A 65 40.384 5.965 -35.340 1.00 0.00 C ATOM 908 C THR A 65 41.167 5.224 -34.264 1.00 0.00 C ATOM 909 O THR A 65 41.724 4.166 -34.477 1.00 0.00 O ATOM 910 CB THR A 65 41.183 7.193 -35.772 1.00 0.00 C ATOM 911 OG1 THR A 65 41.847 7.738 -34.641 1.00 0.00 O ATOM 912 CG2 THR A 65 40.250 8.246 -36.365 1.00 0.00 C ATOM 0 H THR A 65 39.230 7.390 -34.237 1.00 0.00 H new ATOM 0 HA THR A 65 40.190 5.266 -36.154 1.00 0.00 H new ATOM 0 HB THR A 65 41.912 6.898 -36.527 1.00 0.00 H new ATOM 0 HG1 THR A 65 42.363 8.526 -34.913 1.00 0.00 H new ATOM 0 HG21 THR A 65 40.831 9.117 -36.669 1.00 0.00 H new ATOM 0 HG22 THR A 65 39.737 7.831 -37.232 1.00 0.00 H new ATOM 0 HG23 THR A 65 39.515 8.543 -35.617 1.00 0.00 H new ATOM 920 N ILE A 66 41.212 5.815 -33.113 1.00 0.00 N ATOM 921 CA ILE A 66 41.946 5.249 -31.945 1.00 0.00 C ATOM 922 C ILE A 66 43.367 4.826 -32.343 1.00 0.00 C ATOM 923 O ILE A 66 43.730 4.819 -33.502 1.00 0.00 O ATOM 924 CB ILE A 66 41.107 4.062 -31.385 1.00 0.00 C ATOM 925 CG1 ILE A 66 42.030 2.892 -31.002 1.00 0.00 C ATOM 926 CG2 ILE A 66 40.074 3.571 -32.399 1.00 0.00 C ATOM 927 CD1 ILE A 66 41.203 1.655 -30.643 1.00 0.00 C ATOM 0 H ILE A 66 40.752 6.705 -32.920 1.00 0.00 H new ATOM 0 HA ILE A 66 42.066 6.001 -31.165 1.00 0.00 H new ATOM 0 HB ILE A 66 40.580 4.426 -30.503 1.00 0.00 H new ATOM 0 HG12 ILE A 66 42.699 2.662 -31.831 1.00 0.00 H new ATOM 0 HG13 ILE A 66 42.656 3.176 -30.157 1.00 0.00 H new ATOM 0 HG21 ILE A 66 39.509 2.743 -31.971 1.00 0.00 H new ATOM 0 HG22 ILE A 66 39.393 4.385 -32.648 1.00 0.00 H new ATOM 0 HG23 ILE A 66 40.582 3.235 -33.303 1.00 0.00 H new ATOM 0 HD11 ILE A 66 41.871 0.836 -30.374 1.00 0.00 H new ATOM 0 HD12 ILE A 66 40.553 1.885 -29.799 1.00 0.00 H new ATOM 0 HD13 ILE A 66 40.596 1.362 -31.500 1.00 0.00 H new ATOM 939 N SER A 67 44.174 4.495 -31.370 1.00 0.00 N ATOM 940 CA SER A 67 45.581 4.095 -31.654 1.00 0.00 C ATOM 941 C SER A 67 45.651 2.743 -32.366 1.00 0.00 C ATOM 942 O SER A 67 45.440 1.705 -31.774 1.00 0.00 O ATOM 943 CB SER A 67 46.248 4.003 -30.282 1.00 0.00 C ATOM 944 OG SER A 67 46.160 5.265 -29.634 1.00 0.00 O ATOM 0 H SER A 67 43.915 4.485 -30.383 1.00 0.00 H new ATOM 0 HA SER A 67 46.071 4.811 -32.314 1.00 0.00 H new ATOM 0 HB2 SER A 67 45.762 3.236 -29.679 1.00 0.00 H new ATOM 0 HB3 SER A 67 47.292 3.709 -30.391 1.00 0.00 H new ATOM 0 HG SER A 67 46.718 5.259 -28.829 1.00 0.00 H new ATOM 950 N ASN A 68 45.977 2.754 -33.629 1.00 0.00 N ATOM 951 CA ASN A 68 46.102 1.478 -34.389 1.00 0.00 C ATOM 952 C ASN A 68 45.032 0.463 -33.975 1.00 0.00 C ATOM 953 O ASN A 68 45.322 -0.704 -33.797 1.00 0.00 O ATOM 954 CB ASN A 68 47.488 0.954 -34.014 1.00 0.00 C ATOM 955 CG ASN A 68 48.561 1.829 -34.665 1.00 0.00 C ATOM 956 OD1 ASN A 68 49.322 2.487 -33.983 1.00 0.00 O ATOM 957 ND2 ASN A 68 48.654 1.864 -35.966 1.00 0.00 N ATOM 0 H ASN A 68 46.163 3.598 -34.171 1.00 0.00 H new ATOM 0 HA ASN A 68 45.972 1.634 -35.460 1.00 0.00 H new ATOM 0 HB2 ASN A 68 47.609 0.959 -32.931 1.00 0.00 H new ATOM 0 HB3 ASN A 68 47.598 -0.079 -34.343 1.00 0.00 H new ATOM 0 HD21 ASN A 68 49.366 2.444 -36.411 1.00 0.00 H new ATOM 0 HD22 ASN A 68 48.015 1.312 -36.538 1.00 0.00 H new ATOM 964 N GLY A 69 43.804 0.875 -33.820 1.00 0.00 N ATOM 965 CA GLY A 69 42.760 -0.112 -33.421 1.00 0.00 C ATOM 966 C GLY A 69 41.593 -0.058 -34.401 1.00 0.00 C ATOM 967 O GLY A 69 41.069 -1.068 -34.823 1.00 0.00 O ATOM 0 H GLY A 69 43.481 1.834 -33.949 1.00 0.00 H new ATOM 0 HA2 GLY A 69 43.184 -1.116 -33.402 1.00 0.00 H new ATOM 0 HA3 GLY A 69 42.409 0.105 -32.412 1.00 0.00 H new ATOM 971 N TYR A 70 41.185 1.122 -34.746 1.00 0.00 N ATOM 972 CA TYR A 70 40.037 1.303 -35.685 1.00 0.00 C ATOM 973 C TYR A 70 38.913 0.331 -35.394 1.00 0.00 C ATOM 974 O TYR A 70 38.922 -0.412 -34.434 1.00 0.00 O ATOM 975 CB TYR A 70 40.565 1.086 -37.102 1.00 0.00 C ATOM 976 CG TYR A 70 40.783 -0.384 -37.381 1.00 0.00 C ATOM 977 CD1 TYR A 70 39.727 -1.173 -37.855 1.00 0.00 C ATOM 978 CD2 TYR A 70 42.045 -0.952 -37.185 1.00 0.00 C ATOM 979 CE1 TYR A 70 39.938 -2.529 -38.132 1.00 0.00 C ATOM 980 CE2 TYR A 70 42.255 -2.309 -37.458 1.00 0.00 C ATOM 981 CZ TYR A 70 41.202 -3.097 -37.933 1.00 0.00 C ATOM 982 OH TYR A 70 41.409 -4.433 -38.207 1.00 0.00 O ATOM 0 H TYR A 70 41.602 1.991 -34.414 1.00 0.00 H new ATOM 0 HA TYR A 70 39.625 2.305 -35.567 1.00 0.00 H new ATOM 0 HB2 TYR A 70 39.858 1.496 -37.824 1.00 0.00 H new ATOM 0 HB3 TYR A 70 41.502 1.627 -37.231 1.00 0.00 H new ATOM 0 HD1 TYR A 70 38.751 -0.736 -38.007 1.00 0.00 H new ATOM 0 HD2 TYR A 70 42.860 -0.343 -36.822 1.00 0.00 H new ATOM 0 HE1 TYR A 70 39.125 -3.137 -38.500 1.00 0.00 H new ATOM 0 HE2 TYR A 70 43.230 -2.747 -37.302 1.00 0.00 H new ATOM 0 HH TYR A 70 42.342 -4.666 -38.015 1.00 0.00 H new ATOM 992 N LEU A 71 37.937 0.358 -36.233 1.00 0.00 N ATOM 993 CA LEU A 71 36.766 -0.536 -36.048 1.00 0.00 C ATOM 994 C LEU A 71 36.419 -1.234 -37.366 1.00 0.00 C ATOM 995 O LEU A 71 36.721 -0.753 -38.439 1.00 0.00 O ATOM 996 CB LEU A 71 35.626 0.377 -35.533 1.00 0.00 C ATOM 997 CG LEU A 71 35.515 1.683 -36.340 1.00 0.00 C ATOM 998 CD1 LEU A 71 36.650 2.627 -35.963 1.00 0.00 C ATOM 999 CD2 LEU A 71 35.568 1.399 -37.836 1.00 0.00 C ATOM 0 H LEU A 71 37.892 0.965 -37.051 1.00 0.00 H new ATOM 0 HA LEU A 71 36.956 -1.339 -35.336 1.00 0.00 H new ATOM 0 HB2 LEU A 71 34.680 -0.162 -35.586 1.00 0.00 H new ATOM 0 HB3 LEU A 71 35.800 0.614 -34.483 1.00 0.00 H new ATOM 0 HG LEU A 71 34.558 2.149 -36.104 1.00 0.00 H new ATOM 0 HD11 LEU A 71 36.563 3.548 -36.539 1.00 0.00 H new ATOM 0 HD12 LEU A 71 36.593 2.857 -34.899 1.00 0.00 H new ATOM 0 HD13 LEU A 71 37.606 2.151 -36.181 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.488 2.336 -38.387 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.513 0.914 -38.081 1.00 0.00 H new ATOM 0 HD23 LEU A 71 34.741 0.744 -38.112 1.00 0.00 H new ATOM 1011 N SER A 72 35.815 -2.383 -37.296 1.00 0.00 N ATOM 1012 CA SER A 72 35.483 -3.110 -38.550 1.00 0.00 C ATOM 1013 C SER A 72 33.965 -3.175 -38.740 1.00 0.00 C ATOM 1014 O SER A 72 33.474 -3.498 -39.804 1.00 0.00 O ATOM 1015 CB SER A 72 36.060 -4.511 -38.358 1.00 0.00 C ATOM 1016 OG SER A 72 35.119 -5.475 -38.811 1.00 0.00 O ATOM 0 H SER A 72 35.538 -2.849 -36.432 1.00 0.00 H new ATOM 0 HA SER A 72 35.891 -2.618 -39.433 1.00 0.00 H new ATOM 0 HB2 SER A 72 36.994 -4.611 -38.911 1.00 0.00 H new ATOM 0 HB3 SER A 72 36.292 -4.680 -37.307 1.00 0.00 H new ATOM 0 HG SER A 72 35.488 -6.375 -38.690 1.00 0.00 H new ATOM 1022 N SER A 73 33.219 -2.871 -37.713 1.00 0.00 N ATOM 1023 CA SER A 73 31.733 -2.916 -37.828 1.00 0.00 C ATOM 1024 C SER A 73 31.273 -2.115 -39.046 1.00 0.00 C ATOM 1025 O SER A 73 30.567 -2.612 -39.901 1.00 0.00 O ATOM 1026 CB SER A 73 31.219 -2.275 -36.542 1.00 0.00 C ATOM 1027 OG SER A 73 29.800 -2.209 -36.587 1.00 0.00 O ATOM 0 H SER A 73 33.575 -2.593 -36.798 1.00 0.00 H new ATOM 0 HA SER A 73 31.359 -3.932 -37.956 1.00 0.00 H new ATOM 0 HB2 SER A 73 31.541 -2.857 -35.678 1.00 0.00 H new ATOM 0 HB3 SER A 73 31.638 -1.275 -36.427 1.00 0.00 H new ATOM 0 HG SER A 73 29.465 -1.799 -35.762 1.00 0.00 H new ATOM 1033 N GLY A 74 31.670 -0.879 -39.128 1.00 0.00 N ATOM 1034 CA GLY A 74 31.261 -0.039 -40.288 1.00 0.00 C ATOM 1035 C GLY A 74 31.438 1.440 -39.944 1.00 0.00 C ATOM 1036 O GLY A 74 30.678 2.008 -39.184 1.00 0.00 O ATOM 0 H GLY A 74 32.262 -0.411 -38.441 1.00 0.00 H new ATOM 0 HA2 GLY A 74 31.861 -0.293 -41.162 1.00 0.00 H new ATOM 0 HA3 GLY A 74 30.221 -0.240 -40.546 1.00 0.00 H new ATOM 1040 N PHE A 75 32.436 2.068 -40.501 1.00 0.00 N ATOM 1041 CA PHE A 75 32.668 3.512 -40.213 1.00 0.00 C ATOM 1042 C PHE A 75 32.179 4.366 -41.390 1.00 0.00 C ATOM 1043 O PHE A 75 31.633 3.867 -42.354 1.00 0.00 O ATOM 1044 CB PHE A 75 34.191 3.621 -39.984 1.00 0.00 C ATOM 1045 CG PHE A 75 34.803 4.753 -40.785 1.00 0.00 C ATOM 1046 CD1 PHE A 75 34.835 4.691 -42.184 1.00 0.00 C ATOM 1047 CD2 PHE A 75 35.341 5.863 -40.123 1.00 0.00 C ATOM 1048 CE1 PHE A 75 35.403 5.738 -42.920 1.00 0.00 C ATOM 1049 CE2 PHE A 75 35.909 6.910 -40.858 1.00 0.00 C ATOM 1050 CZ PHE A 75 35.940 6.848 -42.256 1.00 0.00 C ATOM 0 H PHE A 75 33.103 1.643 -41.145 1.00 0.00 H new ATOM 0 HA PHE A 75 32.120 3.877 -39.344 1.00 0.00 H new ATOM 0 HB2 PHE A 75 34.388 3.778 -38.924 1.00 0.00 H new ATOM 0 HB3 PHE A 75 34.668 2.681 -40.261 1.00 0.00 H new ATOM 0 HD1 PHE A 75 34.421 3.835 -42.696 1.00 0.00 H new ATOM 0 HD2 PHE A 75 35.318 5.911 -39.044 1.00 0.00 H new ATOM 0 HE1 PHE A 75 35.427 5.690 -43.999 1.00 0.00 H new ATOM 0 HE2 PHE A 75 36.323 7.766 -40.346 1.00 0.00 H new ATOM 0 HZ PHE A 75 36.378 7.656 -42.823 1.00 0.00 H new ATOM 1060 N LYS A 76 32.366 5.649 -41.303 1.00 0.00 N ATOM 1061 CA LYS A 76 31.914 6.554 -42.396 1.00 0.00 C ATOM 1062 C LYS A 76 32.666 7.884 -42.315 1.00 0.00 C ATOM 1063 O LYS A 76 33.342 8.167 -41.345 1.00 0.00 O ATOM 1064 CB LYS A 76 30.421 6.767 -42.135 1.00 0.00 C ATOM 1065 CG LYS A 76 29.780 7.462 -43.338 1.00 0.00 C ATOM 1066 CD LYS A 76 28.290 7.673 -43.069 1.00 0.00 C ATOM 1067 CE LYS A 76 27.504 7.469 -44.365 1.00 0.00 C ATOM 1068 NZ LYS A 76 28.183 8.338 -45.367 1.00 0.00 N ATOM 0 H LYS A 76 32.816 6.116 -40.516 1.00 0.00 H new ATOM 0 HA LYS A 76 32.101 6.139 -43.387 1.00 0.00 H new ATOM 0 HB2 LYS A 76 29.934 5.809 -41.954 1.00 0.00 H new ATOM 0 HB3 LYS A 76 30.281 7.370 -41.238 1.00 0.00 H new ATOM 0 HG2 LYS A 76 30.267 8.420 -43.520 1.00 0.00 H new ATOM 0 HG3 LYS A 76 29.917 6.859 -44.236 1.00 0.00 H new ATOM 0 HD2 LYS A 76 27.944 6.974 -42.308 1.00 0.00 H new ATOM 0 HD3 LYS A 76 28.118 8.677 -42.681 1.00 0.00 H new ATOM 0 HE2 LYS A 76 27.518 6.424 -44.675 1.00 0.00 H new ATOM 0 HE3 LYS A 76 26.458 7.751 -44.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 27.494 8.649 -46.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 28.585 9.170 -44.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 28.945 7.803 -45.831 1.00 0.00 H new ATOM 1082 N ARG A 77 32.556 8.702 -43.324 1.00 0.00 N ATOM 1083 CA ARG A 77 33.266 10.011 -43.299 1.00 0.00 C ATOM 1084 C ARG A 77 32.693 10.903 -42.197 1.00 0.00 C ATOM 1085 O ARG A 77 33.412 11.608 -41.517 1.00 0.00 O ATOM 1086 CB ARG A 77 33.010 10.626 -44.675 1.00 0.00 C ATOM 1087 CG ARG A 77 33.800 9.855 -45.734 1.00 0.00 C ATOM 1088 CD ARG A 77 34.069 10.766 -46.934 1.00 0.00 C ATOM 1089 NE ARG A 77 35.152 11.685 -46.486 1.00 0.00 N ATOM 1090 CZ ARG A 77 36.377 11.499 -46.897 1.00 0.00 C ATOM 1091 NH1 ARG A 77 36.791 10.297 -47.191 1.00 0.00 N ATOM 1092 NH2 ARG A 77 37.186 12.516 -47.016 1.00 0.00 N ATOM 0 H ARG A 77 32.006 8.521 -44.164 1.00 0.00 H new ATOM 0 HA ARG A 77 34.331 9.899 -43.094 1.00 0.00 H new ATOM 0 HB2 ARG A 77 31.945 10.595 -44.906 1.00 0.00 H new ATOM 0 HB3 ARG A 77 33.306 11.675 -44.677 1.00 0.00 H new ATOM 0 HG2 ARG A 77 34.742 9.501 -45.314 1.00 0.00 H new ATOM 0 HG3 ARG A 77 33.241 8.974 -46.051 1.00 0.00 H new ATOM 0 HD2 ARG A 77 34.377 10.189 -47.806 1.00 0.00 H new ATOM 0 HD3 ARG A 77 33.174 11.320 -47.218 1.00 0.00 H new ATOM 0 HE ARG A 77 34.937 12.460 -45.858 1.00 0.00 H new ATOM 0 HH11 ARG A 77 36.157 9.503 -47.100 1.00 0.00 H new ATOM 0 HH12 ARG A 77 37.748 10.152 -47.512 1.00 0.00 H new ATOM 0 HH21 ARG A 77 36.861 13.456 -46.788 1.00 0.00 H new ATOM 0 HH22 ARG A 77 38.143 12.371 -47.337 1.00 0.00 H new ATOM 1106 N SER A 78 31.404 10.879 -42.017 1.00 0.00 N ATOM 1107 CA SER A 78 30.784 11.729 -40.960 1.00 0.00 C ATOM 1108 C SER A 78 29.672 10.962 -40.238 1.00 0.00 C ATOM 1109 O SER A 78 28.759 10.448 -40.853 1.00 0.00 O ATOM 1110 CB SER A 78 30.207 12.928 -41.710 1.00 0.00 C ATOM 1111 OG SER A 78 31.191 13.952 -41.787 1.00 0.00 O ATOM 0 H SER A 78 30.751 10.309 -42.555 1.00 0.00 H new ATOM 0 HA SER A 78 31.504 12.028 -40.198 1.00 0.00 H new ATOM 0 HB2 SER A 78 29.897 12.630 -42.711 1.00 0.00 H new ATOM 0 HB3 SER A 78 29.319 13.299 -41.198 1.00 0.00 H new ATOM 0 HG SER A 78 32.084 13.553 -41.728 1.00 0.00 H new ATOM 1117 N TYR A 79 29.739 10.887 -38.937 1.00 0.00 N ATOM 1118 CA TYR A 79 28.684 10.159 -38.174 1.00 0.00 C ATOM 1119 C TYR A 79 27.616 11.143 -37.681 1.00 0.00 C ATOM 1120 O TYR A 79 27.661 12.318 -37.985 1.00 0.00 O ATOM 1121 CB TYR A 79 29.413 9.532 -36.988 1.00 0.00 C ATOM 1122 CG TYR A 79 30.409 8.513 -37.478 1.00 0.00 C ATOM 1123 CD1 TYR A 79 31.636 8.922 -38.018 1.00 0.00 C ATOM 1124 CD2 TYR A 79 30.103 7.153 -37.386 1.00 0.00 C ATOM 1125 CE1 TYR A 79 32.553 7.965 -38.464 1.00 0.00 C ATOM 1126 CE2 TYR A 79 31.019 6.198 -37.831 1.00 0.00 C ATOM 1127 CZ TYR A 79 32.243 6.602 -38.370 1.00 0.00 C ATOM 1128 OH TYR A 79 33.146 5.657 -38.807 1.00 0.00 O ATOM 0 H TYR A 79 30.479 11.299 -38.368 1.00 0.00 H new ATOM 0 HA TYR A 79 28.176 9.412 -38.784 1.00 0.00 H new ATOM 0 HB2 TYR A 79 29.923 10.305 -36.414 1.00 0.00 H new ATOM 0 HB3 TYR A 79 28.695 9.059 -36.318 1.00 0.00 H new ATOM 0 HD1 TYR A 79 31.873 9.973 -38.089 1.00 0.00 H new ATOM 0 HD2 TYR A 79 29.157 6.840 -36.970 1.00 0.00 H new ATOM 0 HE1 TYR A 79 33.499 8.276 -38.881 1.00 0.00 H new ATOM 0 HE2 TYR A 79 30.781 5.147 -37.759 1.00 0.00 H new ATOM 0 HH TYR A 79 33.888 6.102 -39.267 1.00 0.00 H new ATOM 1138 N SER A 80 26.656 10.677 -36.923 1.00 0.00 N ATOM 1139 CA SER A 80 25.596 11.602 -36.420 1.00 0.00 C ATOM 1140 C SER A 80 24.723 10.893 -35.371 1.00 0.00 C ATOM 1141 O SER A 80 23.798 10.190 -35.718 1.00 0.00 O ATOM 1142 CB SER A 80 24.768 11.951 -37.656 1.00 0.00 C ATOM 1143 OG SER A 80 23.619 12.689 -37.259 1.00 0.00 O ATOM 0 H SER A 80 26.560 9.704 -36.633 1.00 0.00 H new ATOM 0 HA SER A 80 26.012 12.487 -35.938 1.00 0.00 H new ATOM 0 HB2 SER A 80 25.366 12.535 -38.355 1.00 0.00 H new ATOM 0 HB3 SER A 80 24.468 11.041 -38.176 1.00 0.00 H new ATOM 0 HG SER A 80 23.087 12.916 -38.050 1.00 0.00 H new ATOM 1149 N TYR A 81 25.002 11.080 -34.098 1.00 0.00 N ATOM 1150 CA TYR A 81 24.188 10.414 -33.028 1.00 0.00 C ATOM 1151 C TYR A 81 24.090 8.897 -33.284 1.00 0.00 C ATOM 1152 O TYR A 81 23.683 8.456 -34.336 1.00 0.00 O ATOM 1153 CB TYR A 81 22.817 11.088 -33.101 1.00 0.00 C ATOM 1154 CG TYR A 81 21.763 10.195 -32.488 1.00 0.00 C ATOM 1155 CD1 TYR A 81 21.184 9.170 -33.246 1.00 0.00 C ATOM 1156 CD2 TYR A 81 21.365 10.396 -31.162 1.00 0.00 C ATOM 1157 CE1 TYR A 81 20.207 8.345 -32.676 1.00 0.00 C ATOM 1158 CE2 TYR A 81 20.389 9.572 -30.591 1.00 0.00 C ATOM 1159 CZ TYR A 81 19.809 8.546 -31.348 1.00 0.00 C ATOM 1160 OH TYR A 81 18.846 7.732 -30.786 1.00 0.00 O ATOM 0 H TYR A 81 25.762 11.668 -33.755 1.00 0.00 H new ATOM 0 HA TYR A 81 24.633 10.520 -32.039 1.00 0.00 H new ATOM 0 HB2 TYR A 81 22.845 12.043 -32.576 1.00 0.00 H new ATOM 0 HB3 TYR A 81 22.564 11.302 -34.139 1.00 0.00 H new ATOM 0 HD1 TYR A 81 21.491 9.016 -34.270 1.00 0.00 H new ATOM 0 HD2 TYR A 81 21.811 11.188 -30.579 1.00 0.00 H new ATOM 0 HE1 TYR A 81 19.760 7.554 -33.260 1.00 0.00 H new ATOM 0 HE2 TYR A 81 20.083 9.727 -29.567 1.00 0.00 H new ATOM 0 HH TYR A 81 18.687 8.005 -29.858 1.00 0.00 H new ATOM 1170 N ASN A 82 24.469 8.097 -32.321 1.00 0.00 N ATOM 1171 CA ASN A 82 24.411 6.612 -32.499 1.00 0.00 C ATOM 1172 C ASN A 82 25.528 6.143 -33.437 1.00 0.00 C ATOM 1173 O ASN A 82 26.680 6.452 -33.230 1.00 0.00 O ATOM 1174 CB ASN A 82 23.035 6.312 -33.089 1.00 0.00 C ATOM 1175 CG ASN A 82 22.694 4.840 -32.857 1.00 0.00 C ATOM 1176 OD1 ASN A 82 23.444 3.963 -33.238 1.00 0.00 O ATOM 1177 ND2 ASN A 82 21.586 4.529 -32.244 1.00 0.00 N ATOM 0 H ASN A 82 24.818 8.408 -31.414 1.00 0.00 H new ATOM 0 HA ASN A 82 24.554 6.087 -31.555 1.00 0.00 H new ATOM 0 HB2 ASN A 82 22.282 6.949 -32.626 1.00 0.00 H new ATOM 0 HB3 ASN A 82 23.028 6.535 -34.156 1.00 0.00 H new ATOM 0 HD21 ASN A 82 21.349 3.550 -32.084 1.00 0.00 H new ATOM 0 HD22 ASN A 82 20.956 5.265 -31.924 1.00 0.00 H new ATOM 1184 N ASP A 83 25.215 5.379 -34.445 1.00 0.00 N ATOM 1185 CA ASP A 83 26.291 4.885 -35.347 1.00 0.00 C ATOM 1186 C ASP A 83 27.361 4.180 -34.511 1.00 0.00 C ATOM 1187 O ASP A 83 28.452 4.680 -34.324 1.00 0.00 O ATOM 1188 CB ASP A 83 26.861 6.132 -36.024 1.00 0.00 C ATOM 1189 CG ASP A 83 26.848 5.943 -37.543 1.00 0.00 C ATOM 1190 OD1 ASP A 83 27.562 5.075 -38.018 1.00 0.00 O ATOM 1191 OD2 ASP A 83 26.125 6.669 -38.204 1.00 0.00 O ATOM 0 H ASP A 83 24.270 5.077 -34.682 1.00 0.00 H new ATOM 0 HA ASP A 83 25.928 4.170 -36.086 1.00 0.00 H new ATOM 0 HB2 ASP A 83 26.272 7.008 -35.751 1.00 0.00 H new ATOM 0 HB3 ASP A 83 27.879 6.313 -35.679 1.00 0.00 H new ATOM 1196 N ASN A 84 27.041 3.026 -33.992 1.00 0.00 N ATOM 1197 CA ASN A 84 28.019 2.285 -33.146 1.00 0.00 C ATOM 1198 C ASN A 84 29.177 1.738 -33.991 1.00 0.00 C ATOM 1199 O ASN A 84 28.988 1.283 -35.101 1.00 0.00 O ATOM 1200 CB ASN A 84 27.214 1.133 -32.542 1.00 0.00 C ATOM 1201 CG ASN A 84 28.169 0.107 -31.930 1.00 0.00 C ATOM 1202 OD1 ASN A 84 28.974 0.439 -31.082 1.00 0.00 O ATOM 1203 ND2 ASN A 84 28.114 -1.134 -32.327 1.00 0.00 N ATOM 0 H ASN A 84 26.141 2.563 -34.118 1.00 0.00 H new ATOM 0 HA ASN A 84 28.467 2.927 -32.388 1.00 0.00 H new ATOM 0 HB2 ASN A 84 26.533 1.512 -31.779 1.00 0.00 H new ATOM 0 HB3 ASN A 84 26.601 0.662 -33.310 1.00 0.00 H new ATOM 0 HD21 ASN A 84 28.747 -1.826 -31.926 1.00 0.00 H new ATOM 0 HD22 ASN A 84 27.438 -1.412 -33.039 1.00 0.00 H new ATOM 1210 N VAL A 85 30.373 1.764 -33.461 1.00 0.00 N ATOM 1211 CA VAL A 85 31.543 1.227 -34.219 1.00 0.00 C ATOM 1212 C VAL A 85 32.332 0.249 -33.344 1.00 0.00 C ATOM 1213 O VAL A 85 32.844 0.608 -32.303 1.00 0.00 O ATOM 1214 CB VAL A 85 32.427 2.422 -34.576 1.00 0.00 C ATOM 1215 CG1 VAL A 85 31.929 3.055 -35.875 1.00 0.00 C ATOM 1216 CG2 VAL A 85 32.408 3.463 -33.456 1.00 0.00 C ATOM 0 H VAL A 85 30.590 2.134 -32.536 1.00 0.00 H new ATOM 0 HA VAL A 85 31.215 0.696 -35.113 1.00 0.00 H new ATOM 0 HB VAL A 85 33.451 2.072 -34.706 1.00 0.00 H new ATOM 0 HG11 VAL A 85 32.559 3.907 -36.130 1.00 0.00 H new ATOM 0 HG12 VAL A 85 31.972 2.319 -36.678 1.00 0.00 H new ATOM 0 HG13 VAL A 85 30.900 3.391 -35.745 1.00 0.00 H new ATOM 0 HG21 VAL A 85 33.044 4.305 -33.731 1.00 0.00 H new ATOM 0 HG22 VAL A 85 31.387 3.814 -33.303 1.00 0.00 H new ATOM 0 HG23 VAL A 85 32.779 3.013 -32.535 1.00 0.00 H new ATOM 1226 N ASP A 86 32.452 -0.977 -33.767 1.00 0.00 N ATOM 1227 CA ASP A 86 33.230 -1.969 -32.967 1.00 0.00 C ATOM 1228 C ASP A 86 34.707 -1.829 -33.320 1.00 0.00 C ATOM 1229 O ASP A 86 35.085 -1.890 -34.473 1.00 0.00 O ATOM 1230 CB ASP A 86 32.695 -3.339 -33.384 1.00 0.00 C ATOM 1231 CG ASP A 86 32.736 -4.286 -32.184 1.00 0.00 C ATOM 1232 OD1 ASP A 86 33.771 -4.897 -31.972 1.00 0.00 O ATOM 1233 OD2 ASP A 86 31.733 -4.385 -31.497 1.00 0.00 O ATOM 0 H ASP A 86 32.047 -1.337 -34.631 1.00 0.00 H new ATOM 0 HA ASP A 86 33.129 -1.824 -31.891 1.00 0.00 H new ATOM 0 HB2 ASP A 86 31.674 -3.246 -33.753 1.00 0.00 H new ATOM 0 HB3 ASP A 86 33.294 -3.743 -34.201 1.00 0.00 H new ATOM 1238 N PHE A 87 35.544 -1.604 -32.350 1.00 0.00 N ATOM 1239 CA PHE A 87 36.985 -1.414 -32.660 1.00 0.00 C ATOM 1240 C PHE A 87 37.717 -2.733 -32.861 1.00 0.00 C ATOM 1241 O PHE A 87 37.542 -3.690 -32.134 1.00 0.00 O ATOM 1242 CB PHE A 87 37.537 -0.623 -31.485 1.00 0.00 C ATOM 1243 CG PHE A 87 37.084 0.791 -31.687 1.00 0.00 C ATOM 1244 CD1 PHE A 87 37.707 1.580 -32.655 1.00 0.00 C ATOM 1245 CD2 PHE A 87 36.009 1.297 -30.953 1.00 0.00 C ATOM 1246 CE1 PHE A 87 37.260 2.877 -32.891 1.00 0.00 C ATOM 1247 CE2 PHE A 87 35.567 2.601 -31.183 1.00 0.00 C ATOM 1248 CZ PHE A 87 36.193 3.387 -32.156 1.00 0.00 C ATOM 0 H PHE A 87 35.296 -1.544 -31.363 1.00 0.00 H new ATOM 0 HA PHE A 87 37.124 -0.887 -33.604 1.00 0.00 H new ATOM 0 HB2 PHE A 87 37.167 -1.020 -30.540 1.00 0.00 H new ATOM 0 HB3 PHE A 87 38.625 -0.683 -31.451 1.00 0.00 H new ATOM 0 HD1 PHE A 87 38.537 1.184 -33.222 1.00 0.00 H new ATOM 0 HD2 PHE A 87 35.522 0.682 -30.211 1.00 0.00 H new ATOM 0 HE1 PHE A 87 37.740 3.486 -33.643 1.00 0.00 H new ATOM 0 HE2 PHE A 87 34.743 3.002 -30.611 1.00 0.00 H new ATOM 0 HZ PHE A 87 35.847 4.394 -32.338 1.00 0.00 H new ATOM 1258 N LYS A 88 38.536 -2.768 -33.873 1.00 0.00 N ATOM 1259 CA LYS A 88 39.311 -3.991 -34.194 1.00 0.00 C ATOM 1260 C LYS A 88 40.801 -3.714 -34.001 1.00 0.00 C ATOM 1261 O LYS A 88 41.493 -3.349 -34.930 1.00 0.00 O ATOM 1262 CB LYS A 88 39.007 -4.242 -35.667 1.00 0.00 C ATOM 1263 CG LYS A 88 38.651 -5.714 -35.880 1.00 0.00 C ATOM 1264 CD LYS A 88 39.764 -6.598 -35.315 1.00 0.00 C ATOM 1265 CE LYS A 88 39.842 -7.896 -36.123 1.00 0.00 C ATOM 1266 NZ LYS A 88 41.014 -8.628 -35.568 1.00 0.00 N ATOM 0 H LYS A 88 38.702 -1.983 -34.502 1.00 0.00 H new ATOM 0 HA LYS A 88 39.055 -4.842 -33.563 1.00 0.00 H new ATOM 0 HB2 LYS A 88 38.181 -3.608 -35.990 1.00 0.00 H new ATOM 0 HB3 LYS A 88 39.871 -3.976 -36.276 1.00 0.00 H new ATOM 0 HG2 LYS A 88 37.705 -5.945 -35.389 1.00 0.00 H new ATOM 0 HG3 LYS A 88 38.516 -5.916 -36.943 1.00 0.00 H new ATOM 0 HD2 LYS A 88 40.718 -6.072 -35.358 1.00 0.00 H new ATOM 0 HD3 LYS A 88 39.569 -6.821 -34.266 1.00 0.00 H new ATOM 0 HE2 LYS A 88 38.927 -8.480 -36.020 1.00 0.00 H new ATOM 0 HE3 LYS A 88 39.972 -7.692 -37.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 41.131 -9.530 -36.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 41.871 -8.051 -35.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 40.859 -8.815 -34.557 1.00 0.00 H new ATOM 1280 N CYS A 89 41.294 -3.870 -32.802 1.00 0.00 N ATOM 1281 CA CYS A 89 42.739 -3.602 -32.543 1.00 0.00 C ATOM 1282 C CYS A 89 43.597 -4.063 -33.723 1.00 0.00 C ATOM 1283 O CYS A 89 43.495 -5.186 -34.174 1.00 0.00 O ATOM 1284 CB CYS A 89 43.075 -4.413 -31.295 1.00 0.00 C ATOM 1285 SG CYS A 89 43.983 -3.369 -30.133 1.00 0.00 S ATOM 0 H CYS A 89 40.758 -4.172 -31.989 1.00 0.00 H new ATOM 0 HA CYS A 89 42.936 -2.538 -32.410 1.00 0.00 H new ATOM 0 HB2 CYS A 89 42.161 -4.784 -30.831 1.00 0.00 H new ATOM 0 HB3 CYS A 89 43.673 -5.284 -31.563 1.00 0.00 H new ATOM 1290 N LYS A 90 44.438 -3.198 -34.226 1.00 0.00 N ATOM 1291 CA LYS A 90 45.306 -3.579 -35.380 1.00 0.00 C ATOM 1292 C LYS A 90 45.802 -5.021 -35.229 1.00 0.00 C ATOM 1293 O LYS A 90 45.225 -5.944 -35.769 1.00 0.00 O ATOM 1294 CB LYS A 90 46.477 -2.598 -35.333 1.00 0.00 C ATOM 1295 CG LYS A 90 46.136 -1.360 -36.163 1.00 0.00 C ATOM 1296 CD LYS A 90 46.173 -1.715 -37.650 1.00 0.00 C ATOM 1297 CE LYS A 90 46.803 -0.561 -38.433 1.00 0.00 C ATOM 1298 NZ LYS A 90 46.753 -0.990 -39.858 1.00 0.00 N ATOM 0 H LYS A 90 44.562 -2.244 -33.888 1.00 0.00 H new ATOM 0 HA LYS A 90 44.771 -3.533 -36.329 1.00 0.00 H new ATOM 0 HB2 LYS A 90 46.685 -2.312 -34.302 1.00 0.00 H new ATOM 0 HB3 LYS A 90 47.379 -3.072 -35.720 1.00 0.00 H new ATOM 0 HG2 LYS A 90 45.148 -0.988 -35.892 1.00 0.00 H new ATOM 0 HG3 LYS A 90 46.846 -0.561 -35.952 1.00 0.00 H new ATOM 0 HD2 LYS A 90 46.747 -2.629 -37.803 1.00 0.00 H new ATOM 0 HD3 LYS A 90 45.164 -1.908 -38.014 1.00 0.00 H new ATOM 0 HE2 LYS A 90 46.252 0.367 -38.281 1.00 0.00 H new ATOM 0 HE3 LYS A 90 47.828 -0.379 -38.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 47.168 -0.249 -40.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 47.292 -1.872 -39.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 45.764 -1.149 -40.138 1.00 0.00 H new ATOM 1312 N TYR A 91 46.865 -5.224 -34.501 1.00 0.00 N ATOM 1313 CA TYR A 91 47.390 -6.611 -34.323 1.00 0.00 C ATOM 1314 C TYR A 91 48.303 -6.686 -33.094 1.00 0.00 C ATOM 1315 O TYR A 91 48.958 -5.728 -32.734 1.00 0.00 O ATOM 1316 CB TYR A 91 48.182 -6.898 -35.599 1.00 0.00 C ATOM 1317 CG TYR A 91 48.466 -8.378 -35.695 1.00 0.00 C ATOM 1318 CD1 TYR A 91 49.474 -8.949 -34.909 1.00 0.00 C ATOM 1319 CD2 TYR A 91 47.721 -9.178 -36.569 1.00 0.00 C ATOM 1320 CE1 TYR A 91 49.738 -10.321 -34.997 1.00 0.00 C ATOM 1321 CE2 TYR A 91 47.985 -10.550 -36.657 1.00 0.00 C ATOM 1322 CZ TYR A 91 48.993 -11.122 -35.871 1.00 0.00 C ATOM 1323 OH TYR A 91 49.253 -12.474 -35.958 1.00 0.00 O ATOM 0 H TYR A 91 47.393 -4.494 -34.022 1.00 0.00 H new ATOM 0 HA TYR A 91 46.592 -7.336 -34.164 1.00 0.00 H new ATOM 0 HB2 TYR A 91 47.618 -6.568 -36.471 1.00 0.00 H new ATOM 0 HB3 TYR A 91 49.117 -6.337 -35.593 1.00 0.00 H new ATOM 0 HD1 TYR A 91 50.048 -8.331 -34.235 1.00 0.00 H new ATOM 0 HD2 TYR A 91 46.943 -8.737 -37.175 1.00 0.00 H new ATOM 0 HE1 TYR A 91 50.516 -10.761 -34.391 1.00 0.00 H new ATOM 0 HE2 TYR A 91 47.411 -11.168 -37.332 1.00 0.00 H new ATOM 0 HH TYR A 91 48.646 -12.883 -36.610 1.00 0.00 H new ATOM 1333 N GLY A 92 48.351 -7.822 -32.448 1.00 0.00 N ATOM 1334 CA GLY A 92 49.219 -7.964 -31.243 1.00 0.00 C ATOM 1335 C GLY A 92 48.961 -6.796 -30.292 1.00 0.00 C ATOM 1336 O GLY A 92 49.843 -6.352 -29.586 1.00 0.00 O ATOM 0 H GLY A 92 47.826 -8.658 -32.704 1.00 0.00 H new ATOM 0 HA2 GLY A 92 49.011 -8.909 -30.741 1.00 0.00 H new ATOM 0 HA3 GLY A 92 50.268 -7.983 -31.537 1.00 0.00 H new ATOM 1340 N TYR A 93 47.758 -6.294 -30.276 1.00 0.00 N ATOM 1341 CA TYR A 93 47.432 -5.146 -29.382 1.00 0.00 C ATOM 1342 C TYR A 93 46.018 -5.300 -28.817 1.00 0.00 C ATOM 1343 O TYR A 93 45.130 -5.811 -29.470 1.00 0.00 O ATOM 1344 CB TYR A 93 47.518 -3.921 -30.290 1.00 0.00 C ATOM 1345 CG TYR A 93 48.957 -3.662 -30.665 1.00 0.00 C ATOM 1346 CD1 TYR A 93 49.970 -3.800 -29.709 1.00 0.00 C ATOM 1347 CD2 TYR A 93 49.279 -3.286 -31.975 1.00 0.00 C ATOM 1348 CE1 TYR A 93 51.303 -3.562 -30.063 1.00 0.00 C ATOM 1349 CE2 TYR A 93 50.612 -3.047 -32.328 1.00 0.00 C ATOM 1350 CZ TYR A 93 51.624 -3.186 -31.372 1.00 0.00 C ATOM 1351 OH TYR A 93 52.938 -2.951 -31.719 1.00 0.00 O ATOM 0 H TYR A 93 46.982 -6.631 -30.846 1.00 0.00 H new ATOM 0 HA TYR A 93 48.105 -5.075 -28.527 1.00 0.00 H new ATOM 0 HB2 TYR A 93 46.922 -4.080 -31.188 1.00 0.00 H new ATOM 0 HB3 TYR A 93 47.103 -3.051 -29.782 1.00 0.00 H new ATOM 0 HD1 TYR A 93 49.723 -4.090 -28.698 1.00 0.00 H new ATOM 0 HD2 TYR A 93 48.498 -3.180 -32.713 1.00 0.00 H new ATOM 0 HE1 TYR A 93 52.084 -3.669 -29.325 1.00 0.00 H new ATOM 0 HE2 TYR A 93 50.859 -2.755 -33.338 1.00 0.00 H new ATOM 0 HH TYR A 93 52.987 -2.701 -32.665 1.00 0.00 H new ATOM 1361 N LYS A 94 45.804 -4.862 -27.609 1.00 0.00 N ATOM 1362 CA LYS A 94 44.448 -4.980 -27.002 1.00 0.00 C ATOM 1363 C LYS A 94 43.826 -3.592 -26.836 1.00 0.00 C ATOM 1364 O LYS A 94 44.470 -2.662 -26.394 1.00 0.00 O ATOM 1365 CB LYS A 94 44.678 -5.635 -25.639 1.00 0.00 C ATOM 1366 CG LYS A 94 43.426 -6.412 -25.226 1.00 0.00 C ATOM 1367 CD LYS A 94 42.819 -5.777 -23.973 1.00 0.00 C ATOM 1368 CE LYS A 94 43.542 -6.302 -22.730 1.00 0.00 C ATOM 1369 NZ LYS A 94 43.562 -5.152 -21.784 1.00 0.00 N ATOM 0 H LYS A 94 46.509 -4.427 -27.014 1.00 0.00 H new ATOM 0 HA LYS A 94 43.765 -5.563 -27.620 1.00 0.00 H new ATOM 0 HB2 LYS A 94 45.536 -6.306 -25.687 1.00 0.00 H new ATOM 0 HB3 LYS A 94 44.909 -4.875 -24.893 1.00 0.00 H new ATOM 0 HG2 LYS A 94 42.698 -6.407 -26.038 1.00 0.00 H new ATOM 0 HG3 LYS A 94 43.680 -7.454 -25.032 1.00 0.00 H new ATOM 0 HD2 LYS A 94 42.905 -4.692 -24.025 1.00 0.00 H new ATOM 0 HD3 LYS A 94 41.756 -6.010 -23.913 1.00 0.00 H new ATOM 0 HE2 LYS A 94 43.020 -7.157 -22.301 1.00 0.00 H new ATOM 0 HE3 LYS A 94 44.552 -6.633 -22.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 44.042 -5.433 -20.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 44.071 -4.355 -22.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 42.587 -4.863 -21.568 1.00 0.00 H new ATOM 1383 N LEU A 95 42.580 -3.444 -27.194 1.00 0.00 N ATOM 1384 CA LEU A 95 41.921 -2.113 -27.062 1.00 0.00 C ATOM 1385 C LEU A 95 41.765 -1.736 -25.589 1.00 0.00 C ATOM 1386 O LEU A 95 40.984 -2.324 -24.867 1.00 0.00 O ATOM 1387 CB LEU A 95 40.543 -2.284 -27.706 1.00 0.00 C ATOM 1388 CG LEU A 95 40.684 -2.319 -29.226 1.00 0.00 C ATOM 1389 CD1 LEU A 95 39.654 -3.285 -29.813 1.00 0.00 C ATOM 1390 CD2 LEU A 95 40.449 -0.919 -29.791 1.00 0.00 C ATOM 0 H LEU A 95 41.990 -4.186 -27.572 1.00 0.00 H new ATOM 0 HA LEU A 95 42.505 -1.324 -27.535 1.00 0.00 H new ATOM 0 HB2 LEU A 95 40.078 -3.205 -27.353 1.00 0.00 H new ATOM 0 HB3 LEU A 95 39.889 -1.463 -27.411 1.00 0.00 H new ATOM 0 HG LEU A 95 41.687 -2.654 -29.490 1.00 0.00 H new ATOM 0 HD11 LEU A 95 39.755 -3.310 -30.898 1.00 0.00 H new ATOM 0 HD12 LEU A 95 39.821 -4.284 -29.410 1.00 0.00 H new ATOM 0 HD13 LEU A 95 38.650 -2.951 -29.550 1.00 0.00 H new ATOM 0 HD21 LEU A 95 40.549 -0.943 -30.876 1.00 0.00 H new ATOM 0 HD22 LEU A 95 39.446 -0.584 -29.527 1.00 0.00 H new ATOM 0 HD23 LEU A 95 41.184 -0.230 -29.374 1.00 0.00 H new ATOM 1402 N SER A 96 42.489 -0.751 -25.143 1.00 0.00 N ATOM 1403 CA SER A 96 42.366 -0.326 -23.722 1.00 0.00 C ATOM 1404 C SER A 96 41.254 0.717 -23.597 1.00 0.00 C ATOM 1405 O SER A 96 41.409 1.852 -24.005 1.00 0.00 O ATOM 1406 CB SER A 96 43.721 0.283 -23.367 1.00 0.00 C ATOM 1407 OG SER A 96 43.519 1.466 -22.607 1.00 0.00 O ATOM 0 H SER A 96 43.160 -0.222 -25.699 1.00 0.00 H new ATOM 0 HA SER A 96 42.114 -1.152 -23.057 1.00 0.00 H new ATOM 0 HB2 SER A 96 44.316 -0.431 -22.798 1.00 0.00 H new ATOM 0 HB3 SER A 96 44.279 0.511 -24.275 1.00 0.00 H new ATOM 0 HG SER A 96 42.973 2.096 -23.122 1.00 0.00 H new ATOM 1413 N GLY A 97 40.131 0.343 -23.044 1.00 0.00 N ATOM 1414 CA GLY A 97 39.014 1.319 -22.902 1.00 0.00 C ATOM 1415 C GLY A 97 37.693 0.667 -23.323 1.00 0.00 C ATOM 1416 O GLY A 97 36.995 0.084 -22.518 1.00 0.00 O ATOM 0 H GLY A 97 39.940 -0.593 -22.686 1.00 0.00 H new ATOM 0 HA2 GLY A 97 38.948 1.661 -21.869 1.00 0.00 H new ATOM 0 HA3 GLY A 97 39.208 2.198 -23.517 1.00 0.00 H new ATOM 1420 N SER A 98 37.340 0.771 -24.575 1.00 0.00 N ATOM 1421 CA SER A 98 36.058 0.166 -25.040 1.00 0.00 C ATOM 1422 C SER A 98 36.174 -0.283 -26.501 1.00 0.00 C ATOM 1423 O SER A 98 36.440 0.507 -27.383 1.00 0.00 O ATOM 1424 CB SER A 98 35.033 1.286 -24.898 1.00 0.00 C ATOM 1425 OG SER A 98 34.112 0.950 -23.869 1.00 0.00 O ATOM 0 H SER A 98 37.882 1.248 -25.296 1.00 0.00 H new ATOM 0 HA SER A 98 35.783 -0.719 -24.467 1.00 0.00 H new ATOM 0 HB2 SER A 98 35.533 2.225 -24.662 1.00 0.00 H new ATOM 0 HB3 SER A 98 34.506 1.434 -25.840 1.00 0.00 H new ATOM 0 HG SER A 98 34.146 1.630 -23.165 1.00 0.00 H new ATOM 1431 N SER A 99 35.980 -1.549 -26.759 1.00 0.00 N ATOM 1432 CA SER A 99 36.086 -2.056 -28.161 1.00 0.00 C ATOM 1433 C SER A 99 34.803 -1.765 -28.946 1.00 0.00 C ATOM 1434 O SER A 99 34.659 -2.170 -30.082 1.00 0.00 O ATOM 1435 CB SER A 99 36.295 -3.563 -28.020 1.00 0.00 C ATOM 1436 OG SER A 99 35.378 -4.077 -27.063 1.00 0.00 O ATOM 0 H SER A 99 35.752 -2.256 -26.060 1.00 0.00 H new ATOM 0 HA SER A 99 36.898 -1.575 -28.706 1.00 0.00 H new ATOM 0 HB2 SER A 99 36.148 -4.054 -28.982 1.00 0.00 H new ATOM 0 HB3 SER A 99 37.318 -3.772 -27.709 1.00 0.00 H new ATOM 0 HG SER A 99 35.508 -5.044 -26.972 1.00 0.00 H new ATOM 1442 N SER A 100 33.874 -1.064 -28.358 1.00 0.00 N ATOM 1443 CA SER A 100 32.611 -0.751 -29.086 1.00 0.00 C ATOM 1444 C SER A 100 32.110 0.641 -28.695 1.00 0.00 C ATOM 1445 O SER A 100 31.767 0.890 -27.557 1.00 0.00 O ATOM 1446 CB SER A 100 31.616 -1.825 -28.646 1.00 0.00 C ATOM 1447 OG SER A 100 31.189 -1.555 -27.318 1.00 0.00 O ATOM 0 H SER A 100 33.933 -0.695 -27.409 1.00 0.00 H new ATOM 0 HA SER A 100 32.749 -0.748 -30.167 1.00 0.00 H new ATOM 0 HB2 SER A 100 30.759 -1.841 -29.319 1.00 0.00 H new ATOM 0 HB3 SER A 100 32.080 -2.810 -28.698 1.00 0.00 H new ATOM 0 HG SER A 100 31.639 -0.750 -26.987 1.00 0.00 H new ATOM 1453 N SER A 101 32.071 1.551 -29.629 1.00 0.00 N ATOM 1454 CA SER A 101 31.598 2.928 -29.307 1.00 0.00 C ATOM 1455 C SER A 101 30.488 3.350 -30.255 1.00 0.00 C ATOM 1456 O SER A 101 30.022 2.581 -31.071 1.00 0.00 O ATOM 1457 CB SER A 101 32.821 3.825 -29.481 1.00 0.00 C ATOM 1458 OG SER A 101 33.899 3.304 -28.714 1.00 0.00 O ATOM 0 H SER A 101 32.346 1.402 -30.600 1.00 0.00 H new ATOM 0 HA SER A 101 31.188 2.989 -28.299 1.00 0.00 H new ATOM 0 HB2 SER A 101 33.101 3.878 -30.533 1.00 0.00 H new ATOM 0 HB3 SER A 101 32.590 4.841 -29.161 1.00 0.00 H new ATOM 0 HG SER A 101 34.388 4.042 -28.293 1.00 0.00 H new ATOM 1464 N THR A 102 30.048 4.568 -30.138 1.00 0.00 N ATOM 1465 CA THR A 102 28.952 5.035 -31.014 1.00 0.00 C ATOM 1466 C THR A 102 28.955 6.560 -31.135 1.00 0.00 C ATOM 1467 O THR A 102 29.073 7.274 -30.158 1.00 0.00 O ATOM 1468 CB THR A 102 27.687 4.553 -30.314 1.00 0.00 C ATOM 1469 OG1 THR A 102 27.834 3.187 -29.952 1.00 0.00 O ATOM 1470 CG2 THR A 102 26.506 4.712 -31.258 1.00 0.00 C ATOM 0 H THR A 102 30.401 5.257 -29.474 1.00 0.00 H new ATOM 0 HA THR A 102 29.043 4.654 -32.031 1.00 0.00 H new ATOM 0 HB THR A 102 27.516 5.143 -29.413 1.00 0.00 H new ATOM 0 HG1 THR A 102 28.372 2.725 -30.629 1.00 0.00 H new ATOM 0 HG21 THR A 102 25.597 4.369 -30.764 1.00 0.00 H new ATOM 0 HG22 THR A 102 26.397 5.762 -31.531 1.00 0.00 H new ATOM 0 HG23 THR A 102 26.676 4.119 -32.157 1.00 0.00 H new ATOM 1478 N CYS A 103 28.813 7.058 -32.331 1.00 0.00 N ATOM 1479 CA CYS A 103 28.789 8.533 -32.538 1.00 0.00 C ATOM 1480 C CYS A 103 27.630 9.151 -31.749 1.00 0.00 C ATOM 1481 O CYS A 103 26.545 9.325 -32.264 1.00 0.00 O ATOM 1482 CB CYS A 103 28.563 8.707 -34.041 1.00 0.00 C ATOM 1483 SG CYS A 103 28.087 10.417 -34.382 1.00 0.00 S ATOM 0 H CYS A 103 28.712 6.503 -33.180 1.00 0.00 H new ATOM 0 HA CYS A 103 29.703 9.020 -32.200 1.00 0.00 H new ATOM 0 HB2 CYS A 103 29.471 8.455 -34.588 1.00 0.00 H new ATOM 0 HB3 CYS A 103 27.784 8.026 -34.384 1.00 0.00 H new ATOM 1488 N SER A 104 27.847 9.481 -30.509 1.00 0.00 N ATOM 1489 CA SER A 104 26.748 10.081 -29.699 1.00 0.00 C ATOM 1490 C SER A 104 26.534 11.542 -30.079 1.00 0.00 C ATOM 1491 O SER A 104 27.292 12.109 -30.841 1.00 0.00 O ATOM 1492 CB SER A 104 27.216 9.968 -28.249 1.00 0.00 C ATOM 1493 OG SER A 104 26.427 8.998 -27.572 1.00 0.00 O ATOM 0 H SER A 104 28.734 9.363 -30.020 1.00 0.00 H new ATOM 0 HA SER A 104 25.797 9.574 -29.864 1.00 0.00 H new ATOM 0 HB2 SER A 104 28.268 9.684 -28.216 1.00 0.00 H new ATOM 0 HB3 SER A 104 27.130 10.934 -27.751 1.00 0.00 H new ATOM 0 HG SER A 104 26.727 8.923 -26.642 1.00 0.00 H new ATOM 1499 N PRO A 105 25.491 12.098 -29.531 1.00 0.00 N ATOM 1500 CA PRO A 105 25.149 13.506 -29.807 1.00 0.00 C ATOM 1501 C PRO A 105 26.090 14.450 -29.067 1.00 0.00 C ATOM 1502 O PRO A 105 26.239 14.392 -27.862 1.00 0.00 O ATOM 1503 CB PRO A 105 23.717 13.637 -29.312 1.00 0.00 C ATOM 1504 CG PRO A 105 23.548 12.556 -28.290 1.00 0.00 C ATOM 1505 CD PRO A 105 24.542 11.468 -28.608 1.00 0.00 C ATOM 0 HA PRO A 105 25.247 13.769 -30.860 1.00 0.00 H new ATOM 0 HB2 PRO A 105 23.541 14.620 -28.876 1.00 0.00 H new ATOM 0 HB3 PRO A 105 23.006 13.519 -30.130 1.00 0.00 H new ATOM 0 HG2 PRO A 105 23.717 12.948 -27.287 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.531 12.164 -28.312 1.00 0.00 H new ATOM 0 HD2 PRO A 105 25.041 11.111 -27.707 1.00 0.00 H new ATOM 0 HD3 PRO A 105 24.055 10.607 -29.065 1.00 0.00 H new ATOM 1513 N GLY A 106 26.733 15.312 -29.798 1.00 0.00 N ATOM 1514 CA GLY A 106 27.684 16.270 -29.181 1.00 0.00 C ATOM 1515 C GLY A 106 28.979 16.278 -30.000 1.00 0.00 C ATOM 1516 O GLY A 106 29.861 17.080 -29.774 1.00 0.00 O ATOM 0 H GLY A 106 26.638 15.394 -30.810 1.00 0.00 H new ATOM 0 HA2 GLY A 106 27.249 17.269 -29.154 1.00 0.00 H new ATOM 0 HA3 GLY A 106 27.892 15.984 -28.150 1.00 0.00 H new ATOM 1520 N ASN A 107 29.085 15.376 -30.951 1.00 0.00 N ATOM 1521 CA ASN A 107 30.299 15.283 -31.823 1.00 0.00 C ATOM 1522 C ASN A 107 31.412 14.521 -31.106 1.00 0.00 C ATOM 1523 O ASN A 107 32.348 15.105 -30.599 1.00 0.00 O ATOM 1524 CB ASN A 107 30.735 16.721 -32.128 1.00 0.00 C ATOM 1525 CG ASN A 107 29.506 17.581 -32.429 1.00 0.00 C ATOM 1526 OD1 ASN A 107 29.035 18.309 -31.578 1.00 0.00 O ATOM 1527 ND2 ASN A 107 28.964 17.530 -33.614 1.00 0.00 N ATOM 0 H ASN A 107 28.364 14.686 -31.162 1.00 0.00 H new ATOM 0 HA ASN A 107 30.081 14.742 -32.744 1.00 0.00 H new ATOM 0 HB2 ASN A 107 31.280 17.134 -31.279 1.00 0.00 H new ATOM 0 HB3 ASN A 107 31.415 16.732 -32.979 1.00 0.00 H new ATOM 0 HD21 ASN A 107 28.146 18.101 -33.825 1.00 0.00 H new ATOM 0 HD22 ASN A 107 29.358 16.919 -34.329 1.00 0.00 H new ATOM 1534 N THR A 108 31.320 13.218 -31.063 1.00 0.00 N ATOM 1535 CA THR A 108 32.380 12.427 -30.380 1.00 0.00 C ATOM 1536 C THR A 108 32.163 10.923 -30.557 1.00 0.00 C ATOM 1537 O THR A 108 31.362 10.484 -31.358 1.00 0.00 O ATOM 1538 CB THR A 108 32.270 12.803 -28.907 1.00 0.00 C ATOM 1539 OG1 THR A 108 31.130 13.626 -28.701 1.00 0.00 O ATOM 1540 CG2 THR A 108 33.526 13.556 -28.507 1.00 0.00 C ATOM 0 H THR A 108 30.561 12.672 -31.469 1.00 0.00 H new ATOM 0 HA THR A 108 33.364 12.645 -30.796 1.00 0.00 H new ATOM 0 HB THR A 108 32.164 11.903 -28.301 1.00 0.00 H new ATOM 0 HG1 THR A 108 31.065 13.863 -27.752 1.00 0.00 H new ATOM 0 HG21 THR A 108 33.464 13.833 -27.455 1.00 0.00 H new ATOM 0 HG22 THR A 108 34.397 12.920 -28.664 1.00 0.00 H new ATOM 0 HG23 THR A 108 33.620 14.456 -29.114 1.00 0.00 H new ATOM 1548 N TRP A 109 32.887 10.135 -29.807 1.00 0.00 N ATOM 1549 CA TRP A 109 32.751 8.656 -29.913 1.00 0.00 C ATOM 1550 C TRP A 109 32.672 8.029 -28.519 1.00 0.00 C ATOM 1551 O TRP A 109 33.670 7.853 -27.850 1.00 0.00 O ATOM 1552 CB TRP A 109 34.013 8.198 -30.639 1.00 0.00 C ATOM 1553 CG TRP A 109 33.756 8.213 -32.109 1.00 0.00 C ATOM 1554 CD1 TRP A 109 34.419 8.969 -33.016 1.00 0.00 C ATOM 1555 CD2 TRP A 109 32.778 7.441 -32.857 1.00 0.00 C ATOM 1556 NE1 TRP A 109 33.883 8.733 -34.266 1.00 0.00 N ATOM 1557 CE2 TRP A 109 32.879 7.788 -34.222 1.00 0.00 C ATOM 1558 CE3 TRP A 109 31.818 6.486 -32.485 1.00 0.00 C ATOM 1559 CZ2 TRP A 109 32.057 7.208 -35.185 1.00 0.00 C ATOM 1560 CZ3 TRP A 109 30.993 5.896 -33.454 1.00 0.00 C ATOM 1561 CH2 TRP A 109 31.111 6.253 -34.800 1.00 0.00 C ATOM 0 H TRP A 109 33.571 10.456 -29.122 1.00 0.00 H new ATOM 0 HA TRP A 109 31.845 8.360 -30.442 1.00 0.00 H new ATOM 0 HB2 TRP A 109 34.848 8.855 -30.395 1.00 0.00 H new ATOM 0 HB3 TRP A 109 34.292 7.195 -30.315 1.00 0.00 H new ATOM 0 HD1 TRP A 109 35.233 9.645 -32.798 1.00 0.00 H new ATOM 0 HE1 TRP A 109 34.192 9.200 -35.118 1.00 0.00 H new ATOM 0 HE3 TRP A 109 31.714 6.204 -31.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 32.150 7.494 -36.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 30.261 5.160 -33.157 1.00 0.00 H new ATOM 0 HH2 TRP A 109 30.474 5.793 -35.540 1.00 0.00 H new ATOM 1572 N LYS A 110 31.491 7.694 -28.077 1.00 0.00 N ATOM 1573 CA LYS A 110 31.350 7.081 -26.725 1.00 0.00 C ATOM 1574 C LYS A 110 31.138 5.567 -26.849 1.00 0.00 C ATOM 1575 O LYS A 110 30.559 5.105 -27.812 1.00 0.00 O ATOM 1576 CB LYS A 110 30.112 7.742 -26.118 1.00 0.00 C ATOM 1577 CG LYS A 110 30.395 9.223 -25.860 1.00 0.00 C ATOM 1578 CD LYS A 110 29.993 9.579 -24.428 1.00 0.00 C ATOM 1579 CE LYS A 110 30.958 10.628 -23.872 1.00 0.00 C ATOM 1580 NZ LYS A 110 31.910 9.860 -23.023 1.00 0.00 N ATOM 0 H LYS A 110 30.619 7.818 -28.592 1.00 0.00 H new ATOM 0 HA LYS A 110 32.238 7.231 -26.111 1.00 0.00 H new ATOM 0 HB2 LYS A 110 29.263 7.636 -26.793 1.00 0.00 H new ATOM 0 HB3 LYS A 110 29.842 7.245 -25.186 1.00 0.00 H new ATOM 0 HG2 LYS A 110 31.453 9.434 -26.015 1.00 0.00 H new ATOM 0 HG3 LYS A 110 29.840 9.839 -26.568 1.00 0.00 H new ATOM 0 HD2 LYS A 110 28.973 9.962 -24.410 1.00 0.00 H new ATOM 0 HD3 LYS A 110 30.009 8.687 -23.802 1.00 0.00 H new ATOM 0 HE2 LYS A 110 31.478 11.151 -24.674 1.00 0.00 H new ATOM 0 HE3 LYS A 110 30.429 11.382 -23.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 32.605 10.511 -22.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 31.387 9.378 -22.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 32.403 9.154 -23.606 1.00 0.00 H new ATOM 1594 N PRO A 111 31.606 4.836 -25.865 1.00 0.00 N ATOM 1595 CA PRO A 111 32.309 5.441 -24.701 1.00 0.00 C ATOM 1596 C PRO A 111 33.724 5.867 -25.091 1.00 0.00 C ATOM 1597 O PRO A 111 34.115 5.792 -26.239 1.00 0.00 O ATOM 1598 CB PRO A 111 32.359 4.305 -23.685 1.00 0.00 C ATOM 1599 CG PRO A 111 32.287 3.055 -24.499 1.00 0.00 C ATOM 1600 CD PRO A 111 31.512 3.376 -25.747 1.00 0.00 C ATOM 0 HA PRO A 111 31.812 6.334 -24.322 1.00 0.00 H new ATOM 0 HB2 PRO A 111 33.276 4.341 -23.097 1.00 0.00 H new ATOM 0 HB3 PRO A 111 31.528 4.367 -22.982 1.00 0.00 H new ATOM 0 HG2 PRO A 111 33.287 2.701 -24.749 1.00 0.00 H new ATOM 0 HG3 PRO A 111 31.798 2.259 -23.938 1.00 0.00 H new ATOM 0 HD2 PRO A 111 31.937 2.878 -26.619 1.00 0.00 H new ATOM 0 HD3 PRO A 111 30.475 3.049 -25.667 1.00 0.00 H new ATOM 1608 N GLU A 112 34.487 6.313 -24.135 1.00 0.00 N ATOM 1609 CA GLU A 112 35.887 6.751 -24.422 1.00 0.00 C ATOM 1610 C GLU A 112 36.540 5.814 -25.444 1.00 0.00 C ATOM 1611 O GLU A 112 36.711 4.635 -25.202 1.00 0.00 O ATOM 1612 CB GLU A 112 36.609 6.667 -23.076 1.00 0.00 C ATOM 1613 CG GLU A 112 38.112 6.855 -23.288 1.00 0.00 C ATOM 1614 CD GLU A 112 38.362 8.147 -24.069 1.00 0.00 C ATOM 1615 OE1 GLU A 112 38.225 9.207 -23.481 1.00 0.00 O ATOM 1616 OE2 GLU A 112 38.684 8.054 -25.242 1.00 0.00 O ATOM 0 H GLU A 112 34.202 6.395 -23.159 1.00 0.00 H new ATOM 0 HA GLU A 112 35.927 7.754 -24.846 1.00 0.00 H new ATOM 0 HB2 GLU A 112 36.228 7.432 -22.399 1.00 0.00 H new ATOM 0 HB3 GLU A 112 36.415 5.702 -22.608 1.00 0.00 H new ATOM 0 HG2 GLU A 112 38.623 6.895 -22.326 1.00 0.00 H new ATOM 0 HG3 GLU A 112 38.522 6.004 -23.832 1.00 0.00 H new ATOM 1623 N LEU A 113 36.899 6.332 -26.586 1.00 0.00 N ATOM 1624 CA LEU A 113 37.535 5.479 -27.633 1.00 0.00 C ATOM 1625 C LEU A 113 38.587 4.554 -27.015 1.00 0.00 C ATOM 1626 O LEU A 113 39.311 4.942 -26.119 1.00 0.00 O ATOM 1627 CB LEU A 113 38.194 6.466 -28.598 1.00 0.00 C ATOM 1628 CG LEU A 113 37.741 6.164 -30.027 1.00 0.00 C ATOM 1629 CD1 LEU A 113 36.215 6.092 -30.076 1.00 0.00 C ATOM 1630 CD2 LEU A 113 38.228 7.277 -30.958 1.00 0.00 C ATOM 0 H LEU A 113 36.779 7.312 -26.841 1.00 0.00 H new ATOM 0 HA LEU A 113 36.809 4.836 -28.131 1.00 0.00 H new ATOM 0 HB2 LEU A 113 37.926 7.488 -28.329 1.00 0.00 H new ATOM 0 HB3 LEU A 113 39.279 6.392 -28.526 1.00 0.00 H new ATOM 0 HG LEU A 113 38.159 5.209 -30.347 1.00 0.00 H new ATOM 0 HD11 LEU A 113 35.893 5.877 -31.095 1.00 0.00 H new ATOM 0 HD12 LEU A 113 35.866 5.302 -29.411 1.00 0.00 H new ATOM 0 HD13 LEU A 113 35.795 7.046 -29.757 1.00 0.00 H new ATOM 0 HD21 LEU A 113 37.907 7.065 -31.978 1.00 0.00 H new ATOM 0 HD22 LEU A 113 37.808 8.230 -30.636 1.00 0.00 H new ATOM 0 HD23 LEU A 113 39.316 7.330 -30.924 1.00 0.00 H new ATOM 1642 N PRO A 114 38.637 3.354 -27.529 1.00 0.00 N ATOM 1643 CA PRO A 114 39.614 2.351 -27.039 1.00 0.00 C ATOM 1644 C PRO A 114 41.030 2.712 -27.499 1.00 0.00 C ATOM 1645 O PRO A 114 41.219 3.555 -28.354 1.00 0.00 O ATOM 1646 CB PRO A 114 39.151 1.051 -27.690 1.00 0.00 C ATOM 1647 CG PRO A 114 38.387 1.473 -28.905 1.00 0.00 C ATOM 1648 CD PRO A 114 37.793 2.825 -28.606 1.00 0.00 C ATOM 0 HA PRO A 114 39.653 2.290 -25.951 1.00 0.00 H new ATOM 0 HB2 PRO A 114 39.999 0.420 -27.957 1.00 0.00 H new ATOM 0 HB3 PRO A 114 38.524 0.472 -27.012 1.00 0.00 H new ATOM 0 HG2 PRO A 114 39.043 1.524 -29.774 1.00 0.00 H new ATOM 0 HG3 PRO A 114 37.604 0.751 -29.138 1.00 0.00 H new ATOM 0 HD2 PRO A 114 37.813 3.472 -29.483 1.00 0.00 H new ATOM 0 HD3 PRO A 114 36.752 2.743 -28.294 1.00 0.00 H new ATOM 1656 N LYS A 115 42.026 2.080 -26.940 1.00 0.00 N ATOM 1657 CA LYS A 115 43.427 2.388 -27.350 1.00 0.00 C ATOM 1658 C LYS A 115 44.203 1.099 -27.616 1.00 0.00 C ATOM 1659 O LYS A 115 44.745 0.505 -26.715 1.00 0.00 O ATOM 1660 CB LYS A 115 44.030 3.139 -26.163 1.00 0.00 C ATOM 1661 CG LYS A 115 45.445 3.600 -26.517 1.00 0.00 C ATOM 1662 CD LYS A 115 45.686 4.995 -25.939 1.00 0.00 C ATOM 1663 CE LYS A 115 46.616 4.895 -24.727 1.00 0.00 C ATOM 1664 NZ LYS A 115 45.894 4.022 -23.758 1.00 0.00 N ATOM 0 H LYS A 115 41.931 1.365 -26.219 1.00 0.00 H new ATOM 0 HA LYS A 115 43.465 2.973 -28.269 1.00 0.00 H new ATOM 0 HB2 LYS A 115 43.409 3.998 -25.909 1.00 0.00 H new ATOM 0 HB3 LYS A 115 44.055 2.493 -25.285 1.00 0.00 H new ATOM 0 HG2 LYS A 115 46.178 2.898 -26.119 1.00 0.00 H new ATOM 0 HG3 LYS A 115 45.574 3.616 -27.599 1.00 0.00 H new ATOM 0 HD2 LYS A 115 46.128 5.642 -26.697 1.00 0.00 H new ATOM 0 HD3 LYS A 115 44.738 5.447 -25.647 1.00 0.00 H new ATOM 0 HE2 LYS A 115 47.579 4.466 -25.003 1.00 0.00 H new ATOM 0 HE3 LYS A 115 46.815 5.878 -24.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 46.207 4.244 -22.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 44.870 4.188 -23.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 46.100 3.025 -23.969 1.00 0.00 H new ATOM 1678 N CYS A 116 44.274 0.667 -28.848 1.00 0.00 N ATOM 1679 CA CYS A 116 45.034 -0.582 -29.143 1.00 0.00 C ATOM 1680 C CYS A 116 46.380 -0.528 -28.430 1.00 0.00 C ATOM 1681 O CYS A 116 47.296 0.152 -28.848 1.00 0.00 O ATOM 1682 CB CYS A 116 45.202 -0.596 -30.664 1.00 0.00 C ATOM 1683 SG CYS A 116 45.246 -2.298 -31.298 1.00 0.00 S ATOM 0 H CYS A 116 43.843 1.120 -29.654 1.00 0.00 H new ATOM 0 HA CYS A 116 44.529 -1.485 -28.800 1.00 0.00 H new ATOM 0 HB2 CYS A 116 44.380 -0.052 -31.129 1.00 0.00 H new ATOM 0 HB3 CYS A 116 46.122 -0.079 -30.937 1.00 0.00 H new ATOM 1688 N VAL A 117 46.494 -1.233 -27.341 1.00 0.00 N ATOM 1689 CA VAL A 117 47.771 -1.220 -26.573 1.00 0.00 C ATOM 1690 C VAL A 117 48.441 -2.573 -26.610 1.00 0.00 C ATOM 1691 O VAL A 117 47.962 -3.506 -27.221 1.00 0.00 O ATOM 1692 CB VAL A 117 47.406 -0.874 -25.130 1.00 0.00 C ATOM 1693 CG1 VAL A 117 47.449 0.629 -24.975 1.00 0.00 C ATOM 1694 CG2 VAL A 117 46.003 -1.381 -24.773 1.00 0.00 C ATOM 0 H VAL A 117 45.758 -1.819 -26.948 1.00 0.00 H new ATOM 0 HA VAL A 117 48.465 -0.498 -27.003 1.00 0.00 H new ATOM 0 HB VAL A 117 48.118 -1.355 -24.460 1.00 0.00 H new ATOM 0 HG11 VAL A 117 47.191 0.897 -23.950 1.00 0.00 H new ATOM 0 HG12 VAL A 117 48.452 0.990 -25.203 1.00 0.00 H new ATOM 0 HG13 VAL A 117 46.735 1.086 -25.660 1.00 0.00 H new ATOM 0 HG21 VAL A 117 45.773 -1.119 -23.740 1.00 0.00 H new ATOM 0 HG22 VAL A 117 45.270 -0.921 -25.436 1.00 0.00 H new ATOM 0 HG23 VAL A 117 45.967 -2.464 -24.889 1.00 0.00 H new ATOM 1704 N ARG A 118 49.552 -2.684 -25.951 1.00 0.00 N ATOM 1705 CA ARG A 118 50.257 -3.979 -25.943 1.00 0.00 C ATOM 1706 C ARG A 118 50.003 -4.712 -24.623 1.00 0.00 C ATOM 1707 O ARG A 118 50.960 -5.205 -24.048 1.00 0.00 O ATOM 1708 CB ARG A 118 51.741 -3.637 -26.092 1.00 0.00 C ATOM 1709 CG ARG A 118 51.921 -2.591 -27.194 1.00 0.00 C ATOM 1710 CD ARG A 118 52.189 -1.221 -26.565 1.00 0.00 C ATOM 1711 NE ARG A 118 51.379 -0.263 -27.369 1.00 0.00 N ATOM 1712 CZ ARG A 118 51.863 0.242 -28.473 1.00 0.00 C ATOM 1713 NH1 ARG A 118 52.444 -0.533 -29.348 1.00 0.00 N ATOM 1714 NH2 ARG A 118 51.764 1.523 -28.702 1.00 0.00 N ATOM 1715 OXT ARG A 118 48.857 -4.768 -24.209 1.00 0.00 O ATOM 0 H ARG A 118 49.999 -1.936 -25.421 1.00 0.00 H new ATOM 0 HA ARG A 118 49.914 -4.635 -26.743 1.00 0.00 H new ATOM 0 HB2 ARG A 118 52.133 -3.257 -25.149 1.00 0.00 H new ATOM 0 HB3 ARG A 118 52.309 -4.536 -26.334 1.00 0.00 H new ATOM 0 HG2 ARG A 118 52.750 -2.872 -27.844 1.00 0.00 H new ATOM 0 HG3 ARG A 118 51.028 -2.548 -27.817 1.00 0.00 H new ATOM 0 HD2 ARG A 118 51.894 -1.204 -25.516 1.00 0.00 H new ATOM 0 HD3 ARG A 118 53.249 -0.970 -26.602 1.00 0.00 H new ATOM 0 HE ARG A 118 50.444 -0.001 -27.057 1.00 0.00 H new ATOM 0 HH11 ARG A 118 52.521 -1.535 -29.171 1.00 0.00 H new ATOM 0 HH12 ARG A 118 52.821 -0.137 -30.209 1.00 0.00 H new ATOM 0 HH21 ARG A 118 51.309 2.129 -28.020 1.00 0.00 H new ATOM 0 HH22 ARG A 118 52.142 1.918 -29.563 1.00 0.00 H new TER 1729 ARG A 118