USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 909 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 85 THR OG1 : rot 180:sc= 0.182 USER MOD Set 1.2: A 91 THR OG1 : rot 134:sc= 0.13 USER MOD Set 2.1: A 48 GLN : amide:sc= -7.3! C(o=-9.3!,f=-17!) USER MOD Set 2.2: A 87 LYS NZ :NH3+ -129:sc= -1.97 (180deg=-5.53!) USER MOD Set 3.1: A 5 THR OG1 : rot -25:sc= 2.02 USER MOD Set 3.2: A 8 TYR OH : rot 23:sc= 1.18 USER MOD Set 3.3: A 10 ASN : amide:sc= -1.14 K(o=2.1,f=0.15!) USER MOD Single : A 1 GLU N :NH3+ -155:sc= -0.0401 (180deg=-0.362) USER MOD Single : A 3 LYS NZ :NH3+ -129:sc= 1.08 (180deg=-0.479) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0759 X(o=-0.076,f=-0.0033) USER MOD Single : A 19 ASN :FLIP amide:sc= -1.89 F(o=-3.5,f=-1.9) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -176:sc= -2.75! USER MOD Single : A 28 ASN : amide:sc= -0.425 K(o=-0.43,f=-3!) USER MOD Single : A 31 MET CE :methyl 157:sc= -1.75 (180deg=-2.25) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -160:sc= -0.261 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -7.24! C(o=-7.2!,f=-8.1!) USER MOD Single : A 53 ASN :FLIP amide:sc= -3.78! C(o=-5.1!,f=-3.8!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -4.1 K(o=-4.1,f=-4.6!) USER MOD Single : A 62 GLN : amide:sc= 0.00682 X(o=0.0068,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 120:sc= -0.189 USER MOD Single : A 72 HIS : no HD1:sc= -6.73! C(o=-6.7!,f=-7.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.95 K(o=-0.95,f=-4.6!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.103 K(o=-0.1,f=-2.3!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 59:sc= -1.52! USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -27.850 2.755 8.393 1.00 0.00 N ATOM 2 CA GLU A 1 -27.716 4.114 7.810 1.00 0.00 C ATOM 3 C GLU A 1 -26.520 4.196 6.862 1.00 0.00 C ATOM 4 O GLU A 1 -26.627 4.728 5.755 1.00 0.00 O ATOM 5 CB GLU A 1 -27.554 5.123 8.948 1.00 0.00 C ATOM 6 CG GLU A 1 -28.807 5.286 9.795 1.00 0.00 C ATOM 7 CD GLU A 1 -29.593 6.530 9.433 1.00 0.00 C ATOM 8 OE1 GLU A 1 -30.116 6.588 8.302 1.00 0.00 O ATOM 9 OE2 GLU A 1 -29.686 7.441 10.279 1.00 0.00 O ATOM 0 H1 GLU A 1 -28.839 2.591 8.668 1.00 0.00 H new ATOM 0 H2 GLU A 1 -27.565 2.045 7.688 1.00 0.00 H new ATOM 0 H3 GLU A 1 -27.240 2.675 9.231 1.00 0.00 H new ATOM 0 HA GLU A 1 -28.611 4.340 7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -26.730 4.808 9.588 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -27.279 6.091 8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -29.443 4.409 9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -28.527 5.330 10.848 1.00 0.00 H new ATOM 18 N ASP A 2 -25.385 3.669 7.301 1.00 0.00 N ATOM 19 CA ASP A 2 -24.174 3.684 6.500 1.00 0.00 C ATOM 20 C ASP A 2 -24.377 2.922 5.188 1.00 0.00 C ATOM 21 O ASP A 2 -24.638 1.714 5.198 1.00 0.00 O ATOM 22 CB ASP A 2 -23.006 3.073 7.276 1.00 0.00 C ATOM 23 CG ASP A 2 -22.288 4.097 8.133 1.00 0.00 C ATOM 24 OD1 ASP A 2 -22.759 4.371 9.255 1.00 0.00 O ATOM 25 OD2 ASP A 2 -21.244 4.618 7.679 1.00 0.00 O ATOM 0 H ASP A 2 -25.280 3.224 8.213 1.00 0.00 H new ATOM 0 HA ASP A 2 -23.941 4.724 6.269 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -23.376 2.267 7.910 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -22.299 2.629 6.575 1.00 0.00 H new ATOM 30 N LYS A 3 -24.266 3.632 4.074 1.00 0.00 N ATOM 31 CA LYS A 3 -24.444 3.022 2.759 1.00 0.00 C ATOM 32 C LYS A 3 -23.561 3.705 1.721 1.00 0.00 C ATOM 33 O LYS A 3 -22.791 4.611 2.047 1.00 0.00 O ATOM 34 CB LYS A 3 -25.909 3.094 2.336 1.00 0.00 C ATOM 35 CG LYS A 3 -26.755 1.952 2.850 1.00 0.00 C ATOM 36 CD LYS A 3 -26.577 0.709 2.013 1.00 0.00 C ATOM 37 CE LYS A 3 -25.590 -0.190 2.651 1.00 0.00 C ATOM 38 NZ LYS A 3 -25.999 -1.607 2.458 1.00 0.00 N ATOM 0 H LYS A 3 -24.054 4.629 4.052 1.00 0.00 H new ATOM 0 HA LYS A 3 -24.148 1.975 2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -26.333 4.034 2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -25.962 3.110 1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -26.487 1.736 3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -27.805 2.246 2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -27.532 0.195 1.902 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -26.242 0.979 1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -24.603 -0.025 2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -25.515 0.034 3.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -25.992 -2.098 3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -26.957 -1.640 2.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -25.334 -2.075 1.810 1.00 0.00 H new ATOM 52 N TYR A 4 -23.671 3.248 0.470 1.00 0.00 N ATOM 53 CA TYR A 4 -22.895 3.805 -0.581 1.00 0.00 C ATOM 54 C TYR A 4 -21.513 3.167 -0.663 1.00 0.00 C ATOM 55 O TYR A 4 -20.873 3.206 -1.703 1.00 0.00 O ATOM 56 CB TYR A 4 -22.751 5.318 -0.436 1.00 0.00 C ATOM 57 CG TYR A 4 -22.665 6.036 -1.745 1.00 0.00 C ATOM 58 CD1 TYR A 4 -23.617 5.837 -2.730 1.00 0.00 C ATOM 59 CD2 TYR A 4 -21.623 6.919 -2.002 1.00 0.00 C ATOM 60 CE1 TYR A 4 -23.536 6.489 -3.942 1.00 0.00 C ATOM 61 CE2 TYR A 4 -21.541 7.581 -3.214 1.00 0.00 C ATOM 62 CZ TYR A 4 -22.495 7.363 -4.180 1.00 0.00 C ATOM 63 OH TYR A 4 -22.409 8.016 -5.388 1.00 0.00 O ATOM 0 H TYR A 4 -24.296 2.494 0.186 1.00 0.00 H new ATOM 0 HA TYR A 4 -23.433 3.592 -1.505 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -23.601 5.704 0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -21.857 5.536 0.149 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -24.437 5.159 -2.546 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -20.869 7.090 -1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -24.284 6.317 -4.702 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -20.729 8.268 -3.401 1.00 0.00 H new ATOM 0 HH TYR A 4 -21.618 8.595 -5.391 1.00 0.00 H new ATOM 73 N THR A 5 -21.056 2.588 0.366 1.00 0.00 N ATOM 74 CA THR A 5 -19.750 1.933 0.400 1.00 0.00 C ATOM 75 C THR A 5 -19.863 0.467 0.058 1.00 0.00 C ATOM 76 O THR A 5 -19.042 -0.282 0.475 1.00 0.00 O ATOM 77 CB THR A 5 -19.117 2.135 1.775 1.00 0.00 C ATOM 78 OG1 THR A 5 -17.715 2.232 1.685 1.00 0.00 O ATOM 79 CG2 THR A 5 -19.442 1.024 2.768 1.00 0.00 C ATOM 0 H THR A 5 -21.564 2.535 1.249 1.00 0.00 H new ATOM 0 HA THR A 5 -19.107 2.386 -0.355 1.00 0.00 H new ATOM 0 HB THR A 5 -19.549 3.065 2.143 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.407 1.772 0.876 1.00 0.00 H new ATOM 0 HG21 THR A 5 -18.958 1.236 3.722 1.00 0.00 H new ATOM 0 HG22 THR A 5 -20.521 0.969 2.912 1.00 0.00 H new ATOM 0 HG23 THR A 5 -19.079 0.072 2.380 1.00 0.00 H new ATOM 87 N ASP A 6 -20.871 0.189 -0.655 1.00 0.00 N ATOM 88 CA ASP A 6 -21.130 -1.150 -1.077 1.00 0.00 C ATOM 89 C ASP A 6 -20.568 -1.393 -2.464 1.00 0.00 C ATOM 90 O ASP A 6 -21.046 -2.250 -3.195 1.00 0.00 O ATOM 91 CB ASP A 6 -22.625 -1.430 -1.061 1.00 0.00 C ATOM 92 CG ASP A 6 -23.077 -2.103 0.147 1.00 0.00 C ATOM 93 OD1 ASP A 6 -22.274 -2.845 0.743 1.00 0.00 O ATOM 94 OD2 ASP A 6 -24.238 -1.877 0.560 1.00 0.00 O ATOM 0 H ASP A 6 -21.555 0.875 -0.974 1.00 0.00 H new ATOM 0 HA ASP A 6 -20.637 -1.829 -0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -23.164 -0.488 -1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -22.881 -2.042 -1.926 1.00 0.00 H new ATOM 99 N LYS A 7 -19.538 -0.624 -2.833 1.00 0.00 N ATOM 100 CA LYS A 7 -18.918 -0.756 -4.141 1.00 0.00 C ATOM 101 C LYS A 7 -17.497 -1.286 -4.019 1.00 0.00 C ATOM 102 O LYS A 7 -17.248 -2.488 -4.121 1.00 0.00 O ATOM 103 CB LYS A 7 -18.929 0.527 -4.879 1.00 0.00 C ATOM 104 CG LYS A 7 -20.010 0.622 -5.940 1.00 0.00 C ATOM 105 CD LYS A 7 -19.867 1.878 -6.765 1.00 0.00 C ATOM 106 CE LYS A 7 -19.118 1.623 -8.061 1.00 0.00 C ATOM 107 NZ LYS A 7 -18.931 2.868 -8.851 1.00 0.00 N ATOM 0 H LYS A 7 -19.122 0.094 -2.240 1.00 0.00 H new ATOM 0 HA LYS A 7 -19.508 -1.475 -4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -19.061 1.342 -4.167 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.957 0.670 -5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -19.959 -0.250 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -20.991 0.608 -5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -20.855 2.279 -6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -19.340 2.635 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -18.145 1.186 -7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -19.665 0.894 -8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -18.416 2.649 -9.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -19.860 3.272 -9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -18.387 3.555 -8.292 1.00 0.00 H new ATOM 121 N TYR A 8 -16.562 -0.375 -3.796 1.00 0.00 N ATOM 122 CA TYR A 8 -15.163 -0.718 -3.648 1.00 0.00 C ATOM 123 C TYR A 8 -14.961 -1.751 -2.548 1.00 0.00 C ATOM 124 O TYR A 8 -15.022 -1.433 -1.367 1.00 0.00 O ATOM 125 CB TYR A 8 -14.333 0.465 -3.358 1.00 0.00 C ATOM 126 CG TYR A 8 -14.572 1.044 -1.983 1.00 0.00 C ATOM 127 CD1 TYR A 8 -15.700 1.813 -1.722 1.00 0.00 C ATOM 128 CD2 TYR A 8 -13.660 0.836 -0.954 1.00 0.00 C ATOM 129 CE1 TYR A 8 -15.914 2.348 -0.486 1.00 0.00 C ATOM 130 CE2 TYR A 8 -13.871 1.358 0.225 1.00 0.00 C ATOM 131 CZ TYR A 8 -14.995 2.119 0.456 1.00 0.00 C ATOM 132 OH TYR A 8 -15.211 2.660 1.707 1.00 0.00 O ATOM 0 H TYR A 8 -16.756 0.623 -3.713 1.00 0.00 H new ATOM 0 HA TYR A 8 -14.847 -1.140 -4.602 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -13.282 0.194 -3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.532 1.232 -4.107 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -16.418 1.989 -2.510 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -12.775 0.242 -1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -16.795 2.936 -0.276 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.161 1.192 1.022 1.00 0.00 H new ATOM 0 HH TYR A 8 -16.169 2.825 1.831 1.00 0.00 H new ATOM 142 N ASP A 9 -14.745 -2.996 -2.965 1.00 0.00 N ATOM 143 CA ASP A 9 -14.541 -4.108 -2.030 1.00 0.00 C ATOM 144 C ASP A 9 -13.717 -3.673 -0.833 1.00 0.00 C ATOM 145 O ASP A 9 -12.493 -3.594 -0.894 1.00 0.00 O ATOM 146 CB ASP A 9 -13.846 -5.272 -2.738 1.00 0.00 C ATOM 147 CG ASP A 9 -13.722 -6.499 -1.856 1.00 0.00 C ATOM 148 OD1 ASP A 9 -12.824 -6.512 -0.993 1.00 0.00 O ATOM 149 OD2 ASP A 9 -14.519 -7.435 -2.032 1.00 0.00 O ATOM 0 H ASP A 9 -14.706 -3.265 -3.948 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.520 -4.431 -1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.404 -5.531 -3.638 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.853 -4.957 -3.058 1.00 0.00 H new ATOM 154 N ASN A 10 -14.402 -3.374 0.197 1.00 0.00 N ATOM 155 CA ASN A 10 -13.748 -2.931 1.420 1.00 0.00 C ATOM 156 C ASN A 10 -12.616 -3.871 1.825 1.00 0.00 C ATOM 157 O ASN A 10 -12.498 -4.977 1.297 1.00 0.00 O ATOM 158 CB ASN A 10 -14.765 -2.817 2.548 1.00 0.00 C ATOM 159 CG ASN A 10 -15.424 -1.458 2.610 1.00 0.00 C ATOM 160 OD1 ASN A 10 -15.267 -0.639 1.708 1.00 0.00 O ATOM 161 ND2 ASN A 10 -16.173 -1.210 3.676 1.00 0.00 N ATOM 0 H ASN A 10 -15.420 -3.419 0.246 1.00 0.00 H new ATOM 0 HA ASN A 10 -13.313 -1.950 1.227 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.531 -3.581 2.418 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.271 -3.019 3.498 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -16.645 -0.311 3.769 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.277 -1.919 4.402 1.00 0.00 H new ATOM 168 N ILE A 11 -11.805 -3.424 2.768 1.00 0.00 N ATOM 169 CA ILE A 11 -10.685 -4.205 3.260 1.00 0.00 C ATOM 170 C ILE A 11 -10.057 -3.521 4.477 1.00 0.00 C ATOM 171 O ILE A 11 -10.740 -2.770 5.183 1.00 0.00 O ATOM 172 CB ILE A 11 -9.637 -4.426 2.138 1.00 0.00 C ATOM 173 CG1 ILE A 11 -8.834 -5.704 2.388 1.00 0.00 C ATOM 174 CG2 ILE A 11 -8.717 -3.217 1.987 1.00 0.00 C ATOM 175 CD1 ILE A 11 -9.182 -6.835 1.452 1.00 0.00 C ATOM 0 H ILE A 11 -11.904 -2.512 3.213 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.050 -5.184 3.571 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.176 -4.544 1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.772 -5.479 2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.999 -6.031 3.415 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.995 -3.406 1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.310 -2.337 1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.188 -3.043 2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.572 -7.706 1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.236 -7.089 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.990 -6.529 0.424 1.00 0.00 H new ATOM 187 N ASN A 12 -8.773 -3.761 4.738 1.00 0.00 N ATOM 188 CA ASN A 12 -8.111 -3.151 5.881 1.00 0.00 C ATOM 189 C ASN A 12 -7.511 -1.795 5.528 1.00 0.00 C ATOM 190 O ASN A 12 -6.533 -1.361 6.141 1.00 0.00 O ATOM 191 CB ASN A 12 -7.020 -4.076 6.428 1.00 0.00 C ATOM 192 CG ASN A 12 -7.552 -5.033 7.480 1.00 0.00 C ATOM 193 OD1 ASN A 12 -8.514 -5.759 7.246 1.00 0.00 O ATOM 194 ND2 ASN A 12 -6.919 -5.041 8.646 1.00 0.00 N ATOM 0 H ASN A 12 -8.177 -4.369 4.176 1.00 0.00 H new ATOM 0 HA ASN A 12 -8.869 -2.995 6.649 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.585 -4.647 5.607 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -6.219 -3.475 6.858 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -7.228 -5.667 9.390 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -6.124 -4.421 8.799 1.00 0.00 H new ATOM 201 N LEU A 13 -8.093 -1.126 4.542 1.00 0.00 N ATOM 202 CA LEU A 13 -7.619 0.118 4.108 1.00 0.00 C ATOM 203 C LEU A 13 -8.196 1.200 4.977 1.00 0.00 C ATOM 204 O LEU A 13 -8.825 2.143 4.490 1.00 0.00 O ATOM 205 CB LEU A 13 -7.977 0.325 2.640 1.00 0.00 C ATOM 206 CG LEU A 13 -6.849 0.058 1.674 1.00 0.00 C ATOM 207 CD1 LEU A 13 -6.407 -1.356 1.796 1.00 0.00 C ATOM 208 CD2 LEU A 13 -7.275 0.341 0.249 1.00 0.00 C ATOM 0 H LEU A 13 -8.913 -1.461 4.036 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.533 0.155 4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.815 -0.326 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.319 1.351 2.504 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.021 0.723 1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.592 -1.544 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.063 -1.543 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.242 -2.019 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.443 0.140 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.117 -0.299 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.572 1.386 0.159 1.00 0.00 H new ATOM 220 N ASP A 14 -7.937 1.090 6.262 1.00 0.00 N ATOM 221 CA ASP A 14 -8.390 2.055 7.233 1.00 0.00 C ATOM 222 C ASP A 14 -7.267 2.274 8.235 1.00 0.00 C ATOM 223 O ASP A 14 -6.844 3.397 8.481 1.00 0.00 O ATOM 224 CB ASP A 14 -9.644 1.553 7.939 1.00 0.00 C ATOM 225 CG ASP A 14 -10.209 2.562 8.915 1.00 0.00 C ATOM 226 OD1 ASP A 14 -10.728 3.601 8.456 1.00 0.00 O ATOM 227 OD2 ASP A 14 -10.132 2.321 10.138 1.00 0.00 O ATOM 0 H ASP A 14 -7.401 0.320 6.663 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.642 2.994 6.740 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.402 1.310 7.195 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.412 0.630 8.471 1.00 0.00 H new ATOM 232 N GLU A 15 -6.793 1.168 8.793 1.00 0.00 N ATOM 233 CA GLU A 15 -5.700 1.204 9.743 1.00 0.00 C ATOM 234 C GLU A 15 -4.444 1.773 9.099 1.00 0.00 C ATOM 235 O GLU A 15 -3.609 2.366 9.778 1.00 0.00 O ATOM 236 CB GLU A 15 -5.428 -0.128 10.300 1.00 0.00 C ATOM 237 CG GLU A 15 -5.331 -1.181 9.226 1.00 0.00 C ATOM 238 CD GLU A 15 -4.687 -2.459 9.725 1.00 0.00 C ATOM 239 OE1 GLU A 15 -5.298 -3.131 10.588 1.00 0.00 O ATOM 240 OE2 GLU A 15 -3.580 -2.786 9.262 1.00 0.00 O ATOM 0 H GLU A 15 -7.153 0.233 8.600 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.000 1.857 10.563 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.497 -0.101 10.866 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.219 -0.396 11.000 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.329 -1.404 8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.754 -0.790 8.389 1.00 0.00 H new ATOM 247 N ILE A 16 -4.306 1.581 7.786 1.00 0.00 N ATOM 248 CA ILE A 16 -3.129 2.100 7.096 1.00 0.00 C ATOM 249 C ILE A 16 -3.392 3.473 6.478 1.00 0.00 C ATOM 250 O ILE A 16 -2.508 4.060 5.864 1.00 0.00 O ATOM 251 CB ILE A 16 -2.628 1.143 5.998 1.00 0.00 C ATOM 252 CG1 ILE A 16 -2.712 -0.228 6.476 1.00 0.00 C ATOM 253 CG2 ILE A 16 -1.204 1.496 5.608 1.00 0.00 C ATOM 254 CD1 ILE A 16 -3.821 -1.023 5.828 1.00 0.00 C ATOM 0 H ILE A 16 -4.974 1.085 7.196 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.356 2.193 7.859 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.255 1.243 5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.761 -0.728 6.292 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.864 -0.220 7.555 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.860 0.813 4.831 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.173 2.519 5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.556 1.410 6.480 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.826 -2.036 6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.779 -0.546 6.034 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.659 -1.062 4.751 1.00 0.00 H new ATOM 266 N LEU A 17 -4.610 3.977 6.660 1.00 0.00 N ATOM 267 CA LEU A 17 -4.968 5.286 6.128 1.00 0.00 C ATOM 268 C LEU A 17 -5.403 6.217 7.264 1.00 0.00 C ATOM 269 O LEU A 17 -5.751 7.368 7.035 1.00 0.00 O ATOM 270 CB LEU A 17 -6.076 5.142 5.081 1.00 0.00 C ATOM 271 CG LEU A 17 -6.799 6.432 4.713 1.00 0.00 C ATOM 272 CD1 LEU A 17 -5.799 7.504 4.294 1.00 0.00 C ATOM 273 CD2 LEU A 17 -7.812 6.184 3.598 1.00 0.00 C ATOM 0 H LEU A 17 -5.358 3.503 7.167 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.096 5.726 5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.644 4.717 4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.811 4.426 5.450 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.337 6.784 5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.333 8.418 4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.114 7.705 5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.234 7.156 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.317 7.118 3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.296 5.806 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.547 5.451 3.931 1.00 0.00 H new ATOM 285 N ALA A 18 -5.366 5.700 8.490 1.00 0.00 N ATOM 286 CA ALA A 18 -5.748 6.482 9.663 1.00 0.00 C ATOM 287 C ALA A 18 -4.666 7.481 10.021 1.00 0.00 C ATOM 288 O ALA A 18 -4.898 8.693 10.024 1.00 0.00 O ATOM 289 CB ALA A 18 -6.036 5.563 10.830 1.00 0.00 C ATOM 0 H ALA A 18 -5.076 4.744 8.697 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.654 7.040 9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.320 6.157 11.699 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.852 4.888 10.569 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.144 4.981 11.064 1.00 0.00 H new ATOM 295 N ASN A 19 -3.470 6.990 10.350 1.00 0.00 N ATOM 296 CA ASN A 19 -2.366 7.857 10.717 1.00 0.00 C ATOM 297 C ASN A 19 -1.023 7.141 10.656 1.00 0.00 C ATOM 298 O ASN A 19 -0.946 5.908 10.593 1.00 0.00 O ATOM 299 CB ASN A 19 -2.567 8.421 12.124 1.00 0.00 C ATOM 300 CG ASN A 19 -3.344 7.484 13.031 1.00 0.00 C ATOM 301 OD1 ASN A 19 -2.915 6.222 13.072 1.00 0.00 O flip ATOM 302 ND2 ASN A 19 -4.304 7.881 13.682 1.00 0.00 N flip ATOM 0 H ASN A 19 -3.248 5.995 10.368 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.354 8.668 9.989 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.594 8.626 12.570 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.094 9.373 12.057 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.595 8.856 13.618 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.811 7.236 14.288 1.00 0.00 H new ATOM 309 N LYS A 20 -0.020 7.933 10.689 1.00 0.00 N ATOM 310 CA LYS A 20 1.325 7.411 10.650 1.00 0.00 C ATOM 311 C LYS A 20 1.529 6.350 11.725 1.00 0.00 C ATOM 312 O LYS A 20 2.403 5.500 11.614 1.00 0.00 O ATOM 313 CB LYS A 20 2.377 8.520 10.817 1.00 0.00 C ATOM 314 CG LYS A 20 1.851 9.943 10.668 1.00 0.00 C ATOM 315 CD LYS A 20 1.243 10.445 11.967 1.00 0.00 C ATOM 316 CE LYS A 20 0.210 11.535 11.715 1.00 0.00 C ATOM 317 NZ LYS A 20 0.145 12.506 12.843 1.00 0.00 N ATOM 0 H LYS A 20 -0.086 8.949 10.743 1.00 0.00 H new ATOM 0 HA LYS A 20 1.458 6.959 9.667 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.834 8.420 11.802 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.167 8.363 10.082 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.663 10.604 10.365 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.102 9.975 9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.776 9.614 12.496 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.031 10.831 12.613 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.456 12.063 10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.770 11.081 11.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.569 13.233 12.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.115 12.006 13.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.073 12.958 12.966 1.00 0.00 H new ATOM 331 N ARG A 21 0.727 6.404 12.778 1.00 0.00 N ATOM 332 CA ARG A 21 0.827 5.435 13.854 1.00 0.00 C ATOM 333 C ARG A 21 0.775 4.012 13.314 1.00 0.00 C ATOM 334 O ARG A 21 1.552 3.151 13.734 1.00 0.00 O ATOM 335 CB ARG A 21 -0.229 5.647 14.880 1.00 0.00 C ATOM 336 CG ARG A 21 -0.234 7.046 15.471 1.00 0.00 C ATOM 337 CD ARG A 21 -1.568 7.389 16.080 1.00 0.00 C ATOM 338 NE ARG A 21 -1.921 6.466 17.160 1.00 0.00 N ATOM 339 CZ ARG A 21 -2.869 6.723 18.070 1.00 0.00 C ATOM 340 NH1 ARG A 21 -3.547 7.855 18.027 1.00 0.00 N ATOM 341 NH2 ARG A 21 -3.127 5.827 19.010 1.00 0.00 N ATOM 0 H ARG A 21 0.001 7.109 12.908 1.00 0.00 H new ATOM 0 HA ARG A 21 1.793 5.583 14.337 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.203 5.448 14.433 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.093 4.923 15.684 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.543 7.123 16.231 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.008 7.770 14.693 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.541 8.408 16.466 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.339 7.360 15.310 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.418 5.581 17.223 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.350 8.540 17.297 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.268 8.044 18.723 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.606 4.951 19.036 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.847 6.013 19.708 1.00 0.00 H new ATOM 355 N LEU A 22 -0.102 3.770 12.371 1.00 0.00 N ATOM 356 CA LEU A 22 -0.223 2.447 11.781 1.00 0.00 C ATOM 357 C LEU A 22 0.484 2.368 10.470 1.00 0.00 C ATOM 358 O LEU A 22 1.156 1.378 10.188 1.00 0.00 O ATOM 359 CB LEU A 22 -1.659 2.098 11.581 1.00 0.00 C ATOM 360 CG LEU A 22 -2.314 1.377 12.748 1.00 0.00 C ATOM 361 CD1 LEU A 22 -3.788 1.760 12.853 1.00 0.00 C ATOM 362 CD2 LEU A 22 -2.165 -0.096 12.605 1.00 0.00 C ATOM 0 H LEU A 22 -0.744 4.466 11.992 1.00 0.00 H new ATOM 0 HA LEU A 22 0.238 1.739 12.470 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.215 3.014 11.381 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.745 1.472 10.693 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.812 1.683 13.666 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.241 1.235 13.694 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.874 2.835 13.008 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.302 1.484 11.933 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.640 -0.594 13.450 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.639 -0.421 11.679 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.106 -0.354 12.581 1.00 0.00 H new ATOM 374 N LEU A 23 0.398 3.428 9.670 1.00 0.00 N ATOM 375 CA LEU A 23 1.102 3.461 8.400 1.00 0.00 C ATOM 376 C LEU A 23 2.594 3.226 8.645 1.00 0.00 C ATOM 377 O LEU A 23 3.238 2.437 7.951 1.00 0.00 O ATOM 378 CB LEU A 23 0.861 4.807 7.699 1.00 0.00 C ATOM 379 CG LEU A 23 2.047 5.381 6.910 1.00 0.00 C ATOM 380 CD1 LEU A 23 1.569 6.015 5.618 1.00 0.00 C ATOM 381 CD2 LEU A 23 2.794 6.401 7.756 1.00 0.00 C ATOM 0 H LEU A 23 -0.147 4.265 9.879 1.00 0.00 H new ATOM 0 HA LEU A 23 0.726 2.672 7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.019 4.692 7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.564 5.537 8.452 1.00 0.00 H new ATOM 0 HG LEU A 23 2.727 4.566 6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.423 6.416 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.069 5.264 5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.872 6.821 5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.633 6.801 7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.119 7.213 8.027 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.166 5.921 8.661 1.00 0.00 H new ATOM 393 N VAL A 24 3.120 3.903 9.654 1.00 0.00 N ATOM 394 CA VAL A 24 4.531 3.774 10.008 1.00 0.00 C ATOM 395 C VAL A 24 4.799 2.414 10.642 1.00 0.00 C ATOM 396 O VAL A 24 5.764 1.738 10.288 1.00 0.00 O ATOM 397 CB VAL A 24 4.990 4.889 10.968 1.00 0.00 C ATOM 398 CG1 VAL A 24 6.417 4.649 11.438 1.00 0.00 C ATOM 399 CG2 VAL A 24 4.869 6.245 10.296 1.00 0.00 C ATOM 0 H VAL A 24 2.594 4.548 10.244 1.00 0.00 H new ATOM 0 HA VAL A 24 5.102 3.867 9.084 1.00 0.00 H new ATOM 0 HB VAL A 24 4.341 4.875 11.844 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.717 5.450 12.114 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.472 3.694 11.960 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.086 4.632 10.577 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.196 7.023 10.985 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.493 6.265 9.403 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.830 6.421 10.017 1.00 0.00 H new ATOM 409 N ALA A 25 3.940 2.018 11.579 1.00 0.00 N ATOM 410 CA ALA A 25 4.105 0.734 12.245 1.00 0.00 C ATOM 411 C ALA A 25 4.201 -0.324 11.232 1.00 0.00 C ATOM 412 O ALA A 25 5.106 -1.132 11.281 1.00 0.00 O ATOM 413 CB ALA A 25 2.973 0.488 13.231 1.00 0.00 C ATOM 0 H ALA A 25 3.134 2.561 11.889 1.00 0.00 H new ATOM 0 HA ALA A 25 5.027 0.735 12.826 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.117 -0.477 13.717 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.969 1.276 13.984 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.021 0.488 12.700 1.00 0.00 H new ATOM 419 N TYR A 26 3.274 -0.337 10.277 1.00 0.00 N ATOM 420 CA TYR A 26 3.293 -1.337 9.236 1.00 0.00 C ATOM 421 C TYR A 26 4.518 -1.126 8.352 1.00 0.00 C ATOM 422 O TYR A 26 5.142 -2.081 7.896 1.00 0.00 O ATOM 423 CB TYR A 26 2.008 -1.316 8.407 1.00 0.00 C ATOM 424 CG TYR A 26 1.275 -2.656 8.407 1.00 0.00 C ATOM 425 CD1 TYR A 26 1.904 -3.801 7.959 1.00 0.00 C ATOM 426 CD2 TYR A 26 -0.021 -2.752 8.871 1.00 0.00 C ATOM 427 CE1 TYR A 26 1.245 -5.022 7.962 1.00 0.00 C ATOM 428 CE2 TYR A 26 -0.618 -3.964 8.879 1.00 0.00 C ATOM 429 CZ TYR A 26 -0.035 -5.092 8.421 1.00 0.00 C ATOM 430 OH TYR A 26 -0.633 -6.308 8.432 1.00 0.00 O ATOM 0 H TYR A 26 2.508 0.334 10.210 1.00 0.00 H new ATOM 0 HA TYR A 26 3.352 -2.320 9.702 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.344 -0.545 8.797 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.249 -1.040 7.380 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.922 -3.745 7.602 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.547 -1.876 9.221 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.744 -5.910 7.603 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.620 -4.034 9.275 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.564 -6.212 8.723 1.00 0.00 H new ATOM 440 N VAL A 27 4.864 0.064 8.130 1.00 0.00 N ATOM 441 CA VAL A 27 6.033 0.389 7.317 1.00 0.00 C ATOM 442 C VAL A 27 7.299 -0.124 7.960 1.00 0.00 C ATOM 443 O VAL A 27 8.106 -0.711 7.302 1.00 0.00 O ATOM 444 CB VAL A 27 6.166 1.922 7.106 1.00 0.00 C ATOM 445 CG1 VAL A 27 7.571 2.283 6.624 1.00 0.00 C ATOM 446 CG2 VAL A 27 5.118 2.425 6.128 1.00 0.00 C ATOM 0 H VAL A 27 4.366 0.877 8.493 1.00 0.00 H new ATOM 0 HA VAL A 27 5.892 -0.096 6.351 1.00 0.00 H new ATOM 0 HB VAL A 27 5.999 2.411 8.066 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.641 3.362 6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.303 1.966 7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.772 1.779 5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.230 3.501 5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.247 1.926 5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.123 2.209 6.518 1.00 0.00 H new ATOM 456 N ASN A 28 7.467 0.099 9.267 1.00 0.00 N ATOM 457 CA ASN A 28 8.638 -0.336 9.970 1.00 0.00 C ATOM 458 C ASN A 28 8.523 -1.807 10.182 1.00 0.00 C ATOM 459 O ASN A 28 9.525 -2.514 10.293 1.00 0.00 O ATOM 460 CB ASN A 28 8.798 0.325 11.318 1.00 0.00 C ATOM 461 CG ASN A 28 9.710 1.533 11.218 1.00 0.00 C ATOM 462 OD1 ASN A 28 10.473 1.681 10.260 1.00 0.00 O ATOM 463 ND2 ASN A 28 9.646 2.403 12.224 1.00 0.00 N ATOM 0 H ASN A 28 6.787 0.586 9.850 1.00 0.00 H new ATOM 0 HA ASN A 28 9.507 -0.065 9.370 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.823 0.630 11.697 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.209 -0.389 12.032 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.243 3.230 12.221 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.000 2.242 12.997 1.00 0.00 H new ATOM 470 N CYS A 29 7.292 -2.284 10.196 1.00 0.00 N ATOM 471 CA CYS A 29 7.023 -3.697 10.361 1.00 0.00 C ATOM 472 C CYS A 29 7.279 -4.411 9.040 1.00 0.00 C ATOM 473 O CYS A 29 7.600 -5.600 9.029 1.00 0.00 O ATOM 474 CB CYS A 29 5.592 -3.892 10.826 1.00 0.00 C ATOM 475 SG CYS A 29 5.367 -3.718 12.629 1.00 0.00 S ATOM 0 H CYS A 29 6.457 -1.706 10.094 1.00 0.00 H new ATOM 0 HA CYS A 29 7.683 -4.121 11.117 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.954 -3.168 10.319 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.254 -4.883 10.522 1.00 0.00 H new ATOM 480 N VAL A 30 7.162 -3.676 7.936 1.00 0.00 N ATOM 481 CA VAL A 30 7.413 -4.244 6.620 1.00 0.00 C ATOM 482 C VAL A 30 8.834 -4.786 6.550 1.00 0.00 C ATOM 483 O VAL A 30 9.112 -5.757 5.850 1.00 0.00 O ATOM 484 CB VAL A 30 7.199 -3.201 5.486 1.00 0.00 C ATOM 485 CG1 VAL A 30 7.735 -3.725 4.151 1.00 0.00 C ATOM 486 CG2 VAL A 30 5.725 -2.839 5.360 1.00 0.00 C ATOM 0 H VAL A 30 6.896 -2.691 7.929 1.00 0.00 H new ATOM 0 HA VAL A 30 6.698 -5.053 6.472 1.00 0.00 H new ATOM 0 HB VAL A 30 7.756 -2.302 5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.573 -2.977 3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.802 -3.928 4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.212 -4.643 3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.597 -2.108 4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.149 -3.735 5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.373 -2.414 6.300 1.00 0.00 H new ATOM 496 N MET A 31 9.748 -4.153 7.298 1.00 0.00 N ATOM 497 CA MET A 31 11.135 -4.583 7.316 1.00 0.00 C ATOM 498 C MET A 31 11.236 -6.081 7.634 1.00 0.00 C ATOM 499 O MET A 31 12.132 -6.761 7.144 1.00 0.00 O ATOM 500 CB MET A 31 11.937 -3.769 8.348 1.00 0.00 C ATOM 501 CG MET A 31 11.841 -4.294 9.782 1.00 0.00 C ATOM 502 SD MET A 31 12.820 -3.328 10.944 1.00 0.00 S ATOM 503 CE MET A 31 12.520 -1.659 10.367 1.00 0.00 C ATOM 0 H MET A 31 9.545 -3.348 7.891 1.00 0.00 H new ATOM 0 HA MET A 31 11.557 -4.410 6.326 1.00 0.00 H new ATOM 0 HB2 MET A 31 12.985 -3.757 8.048 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.588 -2.736 8.328 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.798 -4.286 10.098 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.174 -5.332 9.808 1.00 0.00 H new ATOM 0 HE1 MET A 31 12.699 -0.955 11.180 1.00 0.00 H new ATOM 0 HE2 MET A 31 13.191 -1.434 9.538 1.00 0.00 H new ATOM 0 HE3 MET A 31 11.487 -1.570 10.032 1.00 0.00 H new ATOM 513 N GLU A 32 10.295 -6.562 8.464 1.00 0.00 N ATOM 514 CA GLU A 32 10.230 -7.969 8.864 1.00 0.00 C ATOM 515 C GLU A 32 10.908 -8.185 10.226 1.00 0.00 C ATOM 516 O GLU A 32 12.072 -8.554 10.318 1.00 0.00 O ATOM 517 CB GLU A 32 10.793 -8.917 7.780 1.00 0.00 C ATOM 518 CG GLU A 32 12.285 -9.220 7.872 1.00 0.00 C ATOM 519 CD GLU A 32 12.574 -10.535 8.578 1.00 0.00 C ATOM 520 OE1 GLU A 32 11.903 -11.542 8.252 1.00 0.00 O ATOM 521 OE2 GLU A 32 13.467 -10.558 9.450 1.00 0.00 O ATOM 0 H GLU A 32 9.561 -5.984 8.873 1.00 0.00 H new ATOM 0 HA GLU A 32 9.176 -8.226 8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.247 -9.859 7.829 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.590 -8.481 6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.708 -9.251 6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.784 -8.410 8.403 1.00 0.00 H new ATOM 528 N ARG A 33 10.146 -7.945 11.293 1.00 0.00 N ATOM 529 CA ARG A 33 10.647 -8.104 12.649 1.00 0.00 C ATOM 530 C ARG A 33 9.828 -9.125 13.437 1.00 0.00 C ATOM 531 O ARG A 33 10.192 -9.484 14.554 1.00 0.00 O ATOM 532 CB ARG A 33 10.642 -6.767 13.366 1.00 0.00 C ATOM 533 CG ARG A 33 11.824 -5.875 13.038 1.00 0.00 C ATOM 534 CD ARG A 33 13.050 -6.257 13.853 1.00 0.00 C ATOM 535 NE ARG A 33 13.953 -7.131 13.114 1.00 0.00 N ATOM 536 CZ ARG A 33 15.217 -7.356 13.456 1.00 0.00 C ATOM 537 NH1 ARG A 33 15.736 -6.778 14.534 1.00 0.00 N ATOM 538 NH2 ARG A 33 15.969 -8.162 12.724 1.00 0.00 N ATOM 0 H ARG A 33 9.175 -7.638 11.239 1.00 0.00 H new ATOM 0 HA ARG A 33 11.669 -8.477 12.584 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.723 -6.238 13.116 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.624 -6.945 14.441 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.054 -5.949 11.975 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.563 -4.835 13.236 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.583 -5.354 14.149 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.734 -6.755 14.769 1.00 0.00 H new ATOM 0 HE ARG A 33 13.592 -7.599 12.283 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.163 -6.157 15.105 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.707 -6.956 14.790 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.578 -8.612 11.896 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.939 -8.334 12.988 1.00 0.00 H new ATOM 552 N GLY A 34 8.727 -9.581 12.845 1.00 0.00 N ATOM 553 CA GLY A 34 7.879 -10.557 13.514 1.00 0.00 C ATOM 554 C GLY A 34 6.422 -10.123 13.531 1.00 0.00 C ATOM 555 O GLY A 34 6.130 -8.934 13.433 1.00 0.00 O ATOM 0 H GLY A 34 8.407 -9.295 11.920 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.965 -11.520 13.010 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.227 -10.700 14.537 1.00 0.00 H new ATOM 559 N LYS A 35 5.510 -11.089 13.642 1.00 0.00 N ATOM 560 CA LYS A 35 4.070 -10.821 13.667 1.00 0.00 C ATOM 561 C LYS A 35 3.678 -9.813 12.589 1.00 0.00 C ATOM 562 O LYS A 35 3.204 -10.202 11.515 1.00 0.00 O ATOM 563 CB LYS A 35 3.627 -10.327 15.047 1.00 0.00 C ATOM 564 CG LYS A 35 4.732 -9.682 15.871 1.00 0.00 C ATOM 565 CD LYS A 35 4.292 -9.449 17.309 1.00 0.00 C ATOM 566 CE LYS A 35 4.505 -10.693 18.161 1.00 0.00 C ATOM 567 NZ LYS A 35 3.530 -10.774 19.285 1.00 0.00 N ATOM 0 H LYS A 35 5.747 -12.078 13.717 1.00 0.00 H new ATOM 0 HA LYS A 35 3.557 -11.760 13.458 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.819 -9.607 14.919 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.218 -11.169 15.606 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.616 -10.320 15.859 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.018 -8.732 15.418 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.852 -8.615 17.732 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.239 -9.168 17.328 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.412 -11.581 17.536 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.519 -10.689 18.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.710 -11.635 19.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.636 -9.940 19.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.563 -10.804 18.904 1.00 0.00 H new ATOM 581 N CYS A 36 3.876 -8.527 12.858 1.00 0.00 N ATOM 582 CA CYS A 36 3.540 -7.501 11.885 1.00 0.00 C ATOM 583 C CYS A 36 4.530 -7.545 10.729 1.00 0.00 C ATOM 584 O CYS A 36 5.606 -6.945 10.778 1.00 0.00 O ATOM 585 CB CYS A 36 3.537 -6.117 12.533 1.00 0.00 C ATOM 586 SG CYS A 36 5.131 -5.624 13.278 1.00 0.00 S ATOM 0 H CYS A 36 4.264 -8.175 13.733 1.00 0.00 H new ATOM 0 HA CYS A 36 2.538 -7.696 11.504 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.258 -5.379 11.781 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.767 -6.093 13.304 1.00 0.00 H new ATOM 591 N SER A 37 4.150 -8.267 9.690 1.00 0.00 N ATOM 592 CA SER A 37 4.965 -8.441 8.496 1.00 0.00 C ATOM 593 C SER A 37 4.414 -9.602 7.673 1.00 0.00 C ATOM 594 O SER A 37 3.844 -9.394 6.601 1.00 0.00 O ATOM 595 CB SER A 37 6.442 -8.680 8.857 1.00 0.00 C ATOM 596 OG SER A 37 7.074 -9.529 7.911 1.00 0.00 O ATOM 0 H SER A 37 3.256 -8.756 9.649 1.00 0.00 H new ATOM 0 HA SER A 37 4.920 -7.527 7.904 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.967 -7.726 8.900 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.508 -9.125 9.850 1.00 0.00 H new ATOM 0 HG SER A 37 7.881 -9.918 8.308 1.00 0.00 H new ATOM 602 N PRO A 38 4.533 -10.838 8.191 1.00 0.00 N ATOM 603 CA PRO A 38 4.000 -12.016 7.507 1.00 0.00 C ATOM 604 C PRO A 38 2.487 -11.903 7.370 1.00 0.00 C ATOM 605 O PRO A 38 1.911 -12.257 6.339 1.00 0.00 O ATOM 606 CB PRO A 38 4.374 -13.182 8.436 1.00 0.00 C ATOM 607 CG PRO A 38 4.610 -12.556 9.762 1.00 0.00 C ATOM 608 CD PRO A 38 5.158 -11.190 9.477 1.00 0.00 C ATOM 0 HA PRO A 38 4.396 -12.140 6.499 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.574 -13.920 8.485 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.264 -13.700 8.080 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.685 -12.494 10.336 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.313 -13.144 10.352 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.895 -10.479 10.260 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.246 -11.199 9.407 1.00 0.00 H new ATOM 616 N GLU A 39 1.853 -11.385 8.423 1.00 0.00 N ATOM 617 CA GLU A 39 0.406 -11.192 8.429 1.00 0.00 C ATOM 618 C GLU A 39 0.017 -10.115 7.414 1.00 0.00 C ATOM 619 O GLU A 39 -0.996 -10.173 6.833 1.00 0.00 O ATOM 620 CB GLU A 39 -0.055 -10.801 9.827 1.00 0.00 C ATOM 621 CG GLU A 39 0.429 -11.730 10.916 1.00 0.00 C ATOM 622 CD GLU A 39 -0.073 -13.139 10.758 1.00 0.00 C ATOM 623 OE1 GLU A 39 0.292 -13.806 9.783 1.00 0.00 O ATOM 624 OE2 GLU A 39 -0.809 -13.588 11.624 1.00 0.00 O ATOM 0 H GLU A 39 2.320 -11.092 9.281 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.083 -12.124 8.147 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.293 -9.791 10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.145 -10.773 9.845 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.519 -11.738 10.920 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.109 -11.343 11.884 1.00 0.00 H new ATOM 631 N GLY A 40 0.906 -9.152 7.203 1.00 0.00 N ATOM 632 CA GLY A 40 0.637 -8.091 6.250 1.00 0.00 C ATOM 633 C GLY A 40 0.310 -8.622 4.868 1.00 0.00 C ATOM 634 O GLY A 40 -0.215 -7.910 4.034 1.00 0.00 O ATOM 0 H GLY A 40 1.808 -9.086 7.674 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.195 -7.486 6.610 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.505 -7.434 6.188 1.00 0.00 H new ATOM 638 N LYS A 41 0.683 -9.879 4.618 1.00 0.00 N ATOM 639 CA LYS A 41 0.447 -10.526 3.335 1.00 0.00 C ATOM 640 C LYS A 41 -0.869 -10.253 2.803 1.00 0.00 C ATOM 641 O LYS A 41 -1.093 -10.265 1.594 1.00 0.00 O ATOM 642 CB LYS A 41 0.670 -12.032 3.459 1.00 0.00 C ATOM 643 CG LYS A 41 0.626 -12.767 2.134 1.00 0.00 C ATOM 644 CD LYS A 41 1.878 -12.520 1.310 1.00 0.00 C ATOM 645 CE LYS A 41 2.169 -13.676 0.371 1.00 0.00 C ATOM 646 NZ LYS A 41 2.965 -14.745 1.018 1.00 0.00 N ATOM 0 H LYS A 41 1.156 -10.472 5.300 1.00 0.00 H new ATOM 0 HA LYS A 41 1.163 -10.107 2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.637 -12.209 3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.089 -12.449 4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.515 -13.836 2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.250 -12.447 1.570 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.759 -11.603 0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.728 -12.369 1.976 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.229 -14.094 0.012 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.706 -13.305 -0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.137 -15.511 0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.875 -14.355 1.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.443 -15.120 1.835 1.00 0.00 H new ATOM 660 N GLU A 42 -1.818 -10.006 3.704 1.00 0.00 N ATOM 661 CA GLU A 42 -3.193 -9.730 3.290 1.00 0.00 C ATOM 662 C GLU A 42 -3.264 -8.414 2.527 1.00 0.00 C ATOM 663 O GLU A 42 -3.802 -8.351 1.421 1.00 0.00 O ATOM 664 CB GLU A 42 -4.149 -9.701 4.491 1.00 0.00 C ATOM 665 CG GLU A 42 -3.486 -9.858 5.848 1.00 0.00 C ATOM 666 CD GLU A 42 -4.478 -9.825 6.993 1.00 0.00 C ATOM 667 OE1 GLU A 42 -5.108 -10.875 7.252 1.00 0.00 O ATOM 668 OE2 GLU A 42 -4.617 -8.756 7.621 1.00 0.00 O ATOM 0 H GLU A 42 -1.664 -9.991 4.712 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.509 -10.540 2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.695 -8.758 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.884 -10.496 4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.940 -10.801 5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.754 -9.062 5.984 1.00 0.00 H new ATOM 675 N LEU A 43 -2.702 -7.365 3.117 1.00 0.00 N ATOM 676 CA LEU A 43 -2.699 -6.059 2.472 1.00 0.00 C ATOM 677 C LEU A 43 -1.809 -6.097 1.232 1.00 0.00 C ATOM 678 O LEU A 43 -2.067 -5.411 0.256 1.00 0.00 O ATOM 679 CB LEU A 43 -2.203 -4.984 3.448 1.00 0.00 C ATOM 680 CG LEU A 43 -2.624 -5.185 4.898 1.00 0.00 C ATOM 681 CD1 LEU A 43 -1.433 -5.578 5.760 1.00 0.00 C ATOM 682 CD2 LEU A 43 -3.277 -3.927 5.446 1.00 0.00 C ATOM 0 H LEU A 43 -2.248 -7.392 4.030 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.717 -5.810 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.114 -4.949 3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.567 -4.013 3.111 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.352 -5.996 4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.760 -5.716 6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.006 -6.509 5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.680 -4.791 5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.570 -4.091 6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.570 -3.099 5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.160 -3.687 4.853 1.00 0.00 H new ATOM 694 N LYS A 44 -0.770 -6.926 1.293 1.00 0.00 N ATOM 695 CA LYS A 44 0.074 -7.067 0.179 1.00 0.00 C ATOM 696 C LYS A 44 -0.522 -7.815 -0.898 1.00 0.00 C ATOM 697 O LYS A 44 -0.377 -7.443 -2.050 1.00 0.00 O ATOM 698 CB LYS A 44 1.344 -7.803 0.613 1.00 0.00 C ATOM 699 CG LYS A 44 2.062 -7.125 1.768 1.00 0.00 C ATOM 700 CD LYS A 44 2.846 -8.126 2.599 1.00 0.00 C ATOM 701 CE LYS A 44 4.314 -7.722 2.731 1.00 0.00 C ATOM 702 NZ LYS A 44 5.193 -8.887 2.996 1.00 0.00 N ATOM 0 H LYS A 44 -0.520 -7.491 2.105 1.00 0.00 H new ATOM 0 HA LYS A 44 0.281 -6.062 -0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.085 -8.822 0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.023 -7.875 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.738 -6.363 1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.336 -6.615 2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.400 -8.205 3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.780 -9.112 2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.637 -7.226 1.815 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.419 -6.998 3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.179 -8.566 3.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.903 -9.346 3.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.114 -9.567 2.213 1.00 0.00 H new ATOM 716 N GLU A 45 -1.264 -8.859 -0.580 1.00 0.00 N ATOM 717 CA GLU A 45 -1.958 -9.634 -1.580 1.00 0.00 C ATOM 718 C GLU A 45 -3.133 -8.836 -2.118 1.00 0.00 C ATOM 719 O GLU A 45 -3.477 -8.921 -3.296 1.00 0.00 O ATOM 720 CB GLU A 45 -2.437 -10.974 -1.019 1.00 0.00 C ATOM 721 CG GLU A 45 -3.550 -10.849 -0.067 1.00 0.00 C ATOM 722 CD GLU A 45 -4.119 -12.192 0.347 1.00 0.00 C ATOM 723 OE1 GLU A 45 -3.522 -12.829 1.238 1.00 0.00 O ATOM 724 OE2 GLU A 45 -5.151 -12.609 -0.197 1.00 0.00 O ATOM 0 H GLU A 45 -1.400 -9.189 0.376 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.262 -9.848 -2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.746 -11.614 -1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.602 -11.471 -0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.206 -10.316 0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.340 -10.247 -0.515 1.00 0.00 H new ATOM 731 N HIS A 46 -3.735 -8.041 -1.239 1.00 0.00 N ATOM 732 CA HIS A 46 -4.868 -7.206 -1.613 1.00 0.00 C ATOM 733 C HIS A 46 -4.392 -5.992 -2.390 1.00 0.00 C ATOM 734 O HIS A 46 -5.136 -5.434 -3.203 1.00 0.00 O ATOM 735 CB HIS A 46 -5.636 -6.766 -0.392 1.00 0.00 C ATOM 736 CG HIS A 46 -6.269 -7.901 0.300 1.00 0.00 C ATOM 737 ND1 HIS A 46 -6.349 -7.949 1.670 1.00 0.00 N ATOM 738 CD2 HIS A 46 -6.857 -9.037 -0.135 1.00 0.00 C ATOM 739 CE1 HIS A 46 -6.951 -9.060 2.048 1.00 0.00 C ATOM 740 NE2 HIS A 46 -7.275 -9.740 0.959 1.00 0.00 N ATOM 0 H HIS A 46 -3.456 -7.958 -0.262 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.532 -7.796 -2.245 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.963 -6.253 0.294 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.401 -6.047 -0.685 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.976 -9.336 -1.166 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.145 -9.362 3.067 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.757 -10.639 0.940 1.00 0.00 H new ATOM 749 N LEU A 47 -3.154 -5.567 -2.144 1.00 0.00 N ATOM 750 CA LEU A 47 -2.596 -4.413 -2.833 1.00 0.00 C ATOM 751 C LEU A 47 -1.449 -4.827 -3.744 1.00 0.00 C ATOM 752 O LEU A 47 -1.650 -5.032 -4.938 1.00 0.00 O ATOM 753 CB LEU A 47 -2.121 -3.364 -1.822 1.00 0.00 C ATOM 754 CG LEU A 47 -1.426 -2.146 -2.434 1.00 0.00 C ATOM 755 CD1 LEU A 47 -2.429 -1.235 -3.117 1.00 0.00 C ATOM 756 CD2 LEU A 47 -0.646 -1.383 -1.364 1.00 0.00 C ATOM 0 H LEU A 47 -2.522 -6.006 -1.474 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.380 -3.974 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.980 -3.022 -1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.436 -3.841 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.723 -2.499 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.910 -0.377 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.937 -1.783 -3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.162 -0.890 -2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.158 -0.520 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.331 -1.046 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.107 -2.038 -0.926 1.00 0.00 H new ATOM 768 N GLN A 48 -0.273 -4.965 -3.189 1.00 0.00 N ATOM 769 CA GLN A 48 0.836 -5.367 -3.978 1.00 0.00 C ATOM 770 C GLN A 48 0.660 -6.796 -4.481 1.00 0.00 C ATOM 771 O GLN A 48 1.384 -7.704 -4.077 1.00 0.00 O ATOM 772 CB GLN A 48 2.117 -5.243 -3.151 1.00 0.00 C ATOM 773 CG GLN A 48 2.397 -3.834 -2.677 1.00 0.00 C ATOM 774 CD GLN A 48 1.940 -3.594 -1.250 1.00 0.00 C ATOM 775 OE1 GLN A 48 0.807 -3.894 -0.889 1.00 0.00 O ATOM 776 NE2 GLN A 48 2.834 -3.047 -0.442 1.00 0.00 N ATOM 0 H GLN A 48 -0.071 -4.804 -2.202 1.00 0.00 H new ATOM 0 HA GLN A 48 0.904 -4.716 -4.850 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.046 -5.901 -2.285 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.960 -5.591 -3.748 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.466 -3.637 -2.750 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.897 -3.127 -3.338 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.764 -2.816 -0.792 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.593 -2.856 0.531 1.00 0.00 H new ATOM 785 N ASP A 49 -0.270 -6.973 -5.362 1.00 0.00 N ATOM 786 CA ASP A 49 -0.559 -8.282 -5.938 1.00 0.00 C ATOM 787 C ASP A 49 -1.958 -8.270 -6.549 1.00 0.00 C ATOM 788 O ASP A 49 -2.263 -9.072 -7.431 1.00 0.00 O ATOM 789 CB ASP A 49 -0.477 -9.382 -4.872 1.00 0.00 C ATOM 790 CG ASP A 49 0.642 -10.293 -5.081 1.00 0.00 C ATOM 791 OD1 ASP A 49 1.567 -9.907 -5.827 1.00 0.00 O ATOM 792 OD2 ASP A 49 0.656 -11.398 -4.490 1.00 0.00 O ATOM 0 H ASP A 49 -0.863 -6.222 -5.716 1.00 0.00 H new ATOM 0 HA ASP A 49 0.183 -8.492 -6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.385 -8.921 -3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.407 -9.951 -4.872 1.00 0.00 H new ATOM 797 N ALA A 50 -2.817 -7.365 -6.073 1.00 0.00 N ATOM 798 CA ALA A 50 -4.180 -7.265 -6.584 1.00 0.00 C ATOM 799 C ALA A 50 -4.305 -6.186 -7.654 1.00 0.00 C ATOM 800 O ALA A 50 -4.824 -6.446 -8.742 1.00 0.00 O ATOM 801 CB ALA A 50 -5.144 -6.993 -5.443 1.00 0.00 C ATOM 0 H ALA A 50 -2.591 -6.695 -5.338 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.433 -8.218 -7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.159 -6.920 -5.834 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.091 -7.807 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.875 -6.056 -4.955 1.00 0.00 H new ATOM 807 N ILE A 51 -3.834 -4.985 -7.354 1.00 0.00 N ATOM 808 CA ILE A 51 -3.919 -3.885 -8.319 1.00 0.00 C ATOM 809 C ILE A 51 -2.635 -3.782 -9.134 1.00 0.00 C ATOM 810 O ILE A 51 -1.541 -4.004 -8.613 1.00 0.00 O ATOM 811 CB ILE A 51 -4.229 -2.529 -7.632 1.00 0.00 C ATOM 812 CG1 ILE A 51 -2.955 -1.871 -7.083 1.00 0.00 C ATOM 813 CG2 ILE A 51 -5.245 -2.717 -6.513 1.00 0.00 C ATOM 814 CD1 ILE A 51 -2.269 -2.679 -6.007 1.00 0.00 C ATOM 0 H ILE A 51 -3.394 -4.743 -6.466 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.748 -4.111 -8.989 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.651 -1.867 -8.388 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.257 -1.710 -7.905 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.208 -0.889 -6.682 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.450 -1.755 -6.043 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.169 -3.124 -6.925 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.844 -3.406 -5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.378 -2.151 -5.668 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.950 -2.818 -5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.984 -3.652 -6.408 1.00 0.00 H new ATOM 826 N GLU A 52 -2.781 -3.441 -10.410 1.00 0.00 N ATOM 827 CA GLU A 52 -1.640 -3.308 -11.301 1.00 0.00 C ATOM 828 C GLU A 52 -1.029 -4.680 -11.609 1.00 0.00 C ATOM 829 O GLU A 52 -1.053 -5.135 -12.756 1.00 0.00 O ATOM 830 CB GLU A 52 -0.576 -2.389 -10.686 1.00 0.00 C ATOM 831 CG GLU A 52 -1.152 -1.131 -10.069 1.00 0.00 C ATOM 832 CD GLU A 52 -0.760 0.099 -10.838 1.00 0.00 C ATOM 833 OE1 GLU A 52 -1.020 0.144 -12.054 1.00 0.00 O ATOM 834 OE2 GLU A 52 -0.206 0.966 -10.212 1.00 0.00 O ATOM 0 H GLU A 52 -3.682 -3.252 -10.849 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.992 -2.864 -12.232 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.027 -2.941 -9.923 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.143 -2.111 -11.457 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.239 -1.208 -10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.807 -1.041 -9.039 1.00 0.00 H new ATOM 841 N ASN A 53 -0.482 -5.319 -10.585 1.00 0.00 N ATOM 842 CA ASN A 53 0.063 -6.628 -10.737 1.00 0.00 C ATOM 843 C ASN A 53 -0.796 -7.730 -10.233 1.00 0.00 C ATOM 844 O ASN A 53 -0.355 -8.736 -9.691 1.00 0.00 O ATOM 845 CB ASN A 53 1.382 -6.676 -9.975 1.00 0.00 C ATOM 846 CG ASN A 53 1.511 -5.596 -8.915 1.00 0.00 C ATOM 847 OD1 ASN A 53 1.665 -4.354 -9.348 1.00 0.00 O flip ATOM 848 ND2 ASN A 53 1.474 -5.878 -7.712 1.00 0.00 N flip ATOM 0 H ASN A 53 -0.412 -4.936 -9.642 1.00 0.00 H new ATOM 0 HA ASN A 53 0.171 -6.792 -11.809 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.483 -7.652 -9.501 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.205 -6.579 -10.683 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.354 -6.848 -7.419 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.564 -5.141 -7.012 1.00 0.00 H new ATOM 855 N GLY A 54 -2.099 -7.534 -10.427 1.00 0.00 N ATOM 856 CA GLY A 54 -3.070 -8.520 -9.993 1.00 0.00 C ATOM 857 C GLY A 54 -4.198 -8.709 -10.982 1.00 0.00 C ATOM 858 O GLY A 54 -4.147 -9.610 -11.822 1.00 0.00 O ATOM 0 H GLY A 54 -2.497 -6.710 -10.877 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.567 -9.474 -9.837 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.484 -8.217 -9.031 1.00 0.00 H new ATOM 862 N CYS A 55 -5.209 -7.855 -10.877 1.00 0.00 N ATOM 863 CA CYS A 55 -6.359 -7.930 -11.762 1.00 0.00 C ATOM 864 C CYS A 55 -7.049 -6.572 -11.860 1.00 0.00 C ATOM 865 O CYS A 55 -8.196 -6.409 -11.423 1.00 0.00 O ATOM 866 CB CYS A 55 -7.343 -8.996 -11.276 1.00 0.00 C ATOM 867 SG CYS A 55 -8.595 -9.471 -12.511 1.00 0.00 S ATOM 0 H CYS A 55 -5.254 -7.104 -10.188 1.00 0.00 H new ATOM 0 HA CYS A 55 -6.009 -8.212 -12.755 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -6.784 -9.884 -10.981 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -7.850 -8.628 -10.384 1.00 0.00 H new ATOM 872 N LYS A 56 -6.350 -5.603 -12.430 1.00 0.00 N ATOM 873 CA LYS A 56 -6.891 -4.249 -12.589 1.00 0.00 C ATOM 874 C LYS A 56 -8.316 -4.291 -13.139 1.00 0.00 C ATOM 875 O LYS A 56 -9.147 -3.453 -12.799 1.00 0.00 O ATOM 876 CB LYS A 56 -6.002 -3.431 -13.529 1.00 0.00 C ATOM 877 CG LYS A 56 -4.558 -3.353 -13.078 1.00 0.00 C ATOM 878 CD LYS A 56 -3.601 -3.422 -14.257 1.00 0.00 C ATOM 879 CE LYS A 56 -3.271 -2.036 -14.786 1.00 0.00 C ATOM 880 NZ LYS A 56 -3.152 -2.019 -16.275 1.00 0.00 N ATOM 0 H LYS A 56 -5.404 -5.723 -12.793 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.910 -3.777 -11.607 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.040 -3.870 -14.526 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.404 -2.421 -13.610 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.396 -2.424 -12.531 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.347 -4.170 -12.388 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.683 -3.925 -13.953 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.044 -4.021 -15.053 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.047 -1.336 -14.476 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.336 -1.692 -14.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.926 -1.055 -16.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.395 -2.668 -16.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.052 -2.322 -16.699 1.00 0.00 H new ATOM 894 N LYS A 57 -8.593 -5.275 -13.984 1.00 0.00 N ATOM 895 CA LYS A 57 -9.916 -5.435 -14.574 1.00 0.00 C ATOM 896 C LYS A 57 -10.930 -5.859 -13.523 1.00 0.00 C ATOM 897 O LYS A 57 -12.091 -5.453 -13.557 1.00 0.00 O ATOM 898 CB LYS A 57 -9.878 -6.458 -15.708 1.00 0.00 C ATOM 899 CG LYS A 57 -11.118 -6.445 -16.585 1.00 0.00 C ATOM 900 CD LYS A 57 -11.562 -7.859 -16.939 1.00 0.00 C ATOM 901 CE LYS A 57 -11.894 -7.991 -18.418 1.00 0.00 C ATOM 902 NZ LYS A 57 -13.283 -7.545 -18.720 1.00 0.00 N ATOM 0 H LYS A 57 -7.915 -5.978 -14.278 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.222 -4.471 -14.981 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.003 -6.266 -16.329 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.755 -7.454 -15.283 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.926 -5.927 -16.068 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.914 -5.886 -17.498 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.773 -8.564 -16.679 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.436 -8.126 -16.345 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.188 -7.400 -19.002 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.772 -9.029 -18.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.468 -7.651 -19.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.958 -8.125 -18.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.393 -6.547 -18.451 1.00 0.00 H new ATOM 916 N CYS A 58 -10.485 -6.692 -12.588 1.00 0.00 N ATOM 917 CA CYS A 58 -11.357 -7.180 -11.521 1.00 0.00 C ATOM 918 C CYS A 58 -11.881 -6.024 -10.681 1.00 0.00 C ATOM 919 O CYS A 58 -11.168 -5.482 -9.841 1.00 0.00 O ATOM 920 CB CYS A 58 -10.595 -8.164 -10.628 1.00 0.00 C ATOM 921 SG CYS A 58 -10.284 -9.780 -11.413 1.00 0.00 S ATOM 0 H CYS A 58 -9.528 -7.044 -12.546 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.205 -7.690 -11.979 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -9.641 -7.719 -10.344 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -11.161 -8.320 -9.709 1.00 0.00 H new ATOM 926 N THR A 59 -13.144 -5.663 -10.911 1.00 0.00 N ATOM 927 CA THR A 59 -13.804 -4.587 -10.174 1.00 0.00 C ATOM 928 C THR A 59 -13.183 -3.213 -10.458 1.00 0.00 C ATOM 929 O THR A 59 -13.896 -2.249 -10.730 1.00 0.00 O ATOM 930 CB THR A 59 -13.799 -4.932 -8.688 1.00 0.00 C ATOM 931 OG1 THR A 59 -15.099 -4.779 -8.136 1.00 0.00 O ATOM 932 CG2 THR A 59 -12.845 -4.109 -7.850 1.00 0.00 C ATOM 0 H THR A 59 -13.736 -6.108 -11.612 1.00 0.00 H new ATOM 0 HA THR A 59 -14.836 -4.507 -10.516 1.00 0.00 H new ATOM 0 HB THR A 59 -13.459 -5.967 -8.651 1.00 0.00 H new ATOM 0 HG1 THR A 59 -15.078 -5.006 -7.183 1.00 0.00 H new ATOM 0 HG21 THR A 59 -12.910 -4.424 -6.809 1.00 0.00 H new ATOM 0 HG22 THR A 59 -11.826 -4.254 -8.210 1.00 0.00 H new ATOM 0 HG23 THR A 59 -13.110 -3.055 -7.927 1.00 0.00 H new ATOM 940 N GLU A 60 -11.849 -3.122 -10.384 1.00 0.00 N ATOM 941 CA GLU A 60 -11.130 -1.878 -10.634 1.00 0.00 C ATOM 942 C GLU A 60 -11.105 -0.986 -9.391 1.00 0.00 C ATOM 943 O GLU A 60 -10.091 -0.336 -9.121 1.00 0.00 O ATOM 944 CB GLU A 60 -11.745 -1.118 -11.808 1.00 0.00 C ATOM 945 CG GLU A 60 -10.804 -0.108 -12.445 1.00 0.00 C ATOM 946 CD GLU A 60 -11.081 0.090 -13.917 1.00 0.00 C ATOM 947 OE1 GLU A 60 -10.735 -0.790 -14.724 1.00 0.00 O ATOM 948 OE2 GLU A 60 -11.651 1.081 -14.276 1.00 0.00 O ATOM 0 H GLU A 60 -11.244 -3.909 -10.149 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.103 -2.144 -10.885 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.062 -1.834 -12.566 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.640 -0.600 -11.464 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.898 0.847 -11.929 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.775 -0.442 -12.314 1.00 0.00 H new ATOM 955 N ASN A 61 -12.198 -0.964 -8.633 1.00 0.00 N ATOM 956 CA ASN A 61 -12.277 -0.152 -7.423 1.00 0.00 C ATOM 957 C ASN A 61 -11.011 -0.313 -6.593 1.00 0.00 C ATOM 958 O ASN A 61 -10.489 0.587 -6.036 1.00 0.00 O ATOM 959 CB ASN A 61 -13.502 -0.536 -6.606 1.00 0.00 C ATOM 960 CG ASN A 61 -14.502 0.528 -6.487 1.00 0.00 C ATOM 961 OD1 ASN A 61 -14.122 1.659 -6.230 1.00 0.00 O ATOM 962 ND2 ASN A 61 -15.773 0.251 -6.663 1.00 0.00 N ATOM 0 H ASN A 61 -13.042 -1.500 -8.836 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.369 0.895 -7.713 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.969 -1.409 -7.061 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.181 -0.831 -5.607 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.472 0.990 -6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -16.062 -0.704 -6.877 1.00 0.00 H new ATOM 969 N GLN A 62 -10.515 -1.539 -6.499 1.00 0.00 N ATOM 970 CA GLN A 62 -9.300 -1.834 -5.735 1.00 0.00 C ATOM 971 C GLN A 62 -8.207 -0.832 -6.079 1.00 0.00 C ATOM 972 O GLN A 62 -7.552 -0.279 -5.187 1.00 0.00 O ATOM 973 CB GLN A 62 -8.807 -3.257 -6.016 1.00 0.00 C ATOM 974 CG GLN A 62 -9.907 -4.304 -5.964 1.00 0.00 C ATOM 975 CD GLN A 62 -9.376 -5.715 -6.096 1.00 0.00 C ATOM 976 OE1 GLN A 62 -9.048 -6.363 -5.102 1.00 0.00 O ATOM 977 NE2 GLN A 62 -9.276 -6.205 -7.328 1.00 0.00 N ATOM 0 H GLN A 62 -10.936 -2.354 -6.944 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.540 -1.755 -4.675 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.339 -3.283 -7.000 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.036 -3.515 -5.290 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.448 -4.210 -5.022 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.623 -4.113 -6.763 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.558 -5.637 -8.127 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.917 -7.149 -7.474 1.00 0.00 H new ATOM 986 N GLU A 63 -8.025 -0.607 -7.370 1.00 0.00 N ATOM 987 CA GLU A 63 -7.029 0.280 -7.840 1.00 0.00 C ATOM 988 C GLU A 63 -7.305 1.643 -7.288 1.00 0.00 C ATOM 989 O GLU A 63 -6.382 2.388 -6.970 1.00 0.00 O ATOM 990 CB GLU A 63 -7.038 0.305 -9.367 1.00 0.00 C ATOM 991 CG GLU A 63 -5.683 0.602 -9.982 1.00 0.00 C ATOM 992 CD GLU A 63 -5.787 1.546 -11.162 1.00 0.00 C ATOM 993 OE1 GLU A 63 -6.710 2.382 -11.167 1.00 0.00 O ATOM 994 OE2 GLU A 63 -4.932 1.459 -12.070 1.00 0.00 O ATOM 0 H GLU A 63 -8.577 -1.047 -8.106 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.044 -0.050 -7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.390 -0.659 -9.735 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.752 1.056 -9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.030 1.038 -9.226 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.219 -0.330 -10.304 1.00 0.00 H new ATOM 1001 N LYS A 64 -8.580 1.984 -7.181 1.00 0.00 N ATOM 1002 CA LYS A 64 -8.980 3.282 -6.669 1.00 0.00 C ATOM 1003 C LYS A 64 -8.624 3.413 -5.194 1.00 0.00 C ATOM 1004 O LYS A 64 -7.764 4.202 -4.817 1.00 0.00 O ATOM 1005 CB LYS A 64 -10.479 3.503 -6.871 1.00 0.00 C ATOM 1006 CG LYS A 64 -10.974 4.850 -6.352 1.00 0.00 C ATOM 1007 CD LYS A 64 -11.076 5.871 -7.474 1.00 0.00 C ATOM 1008 CE LYS A 64 -12.146 5.487 -8.492 1.00 0.00 C ATOM 1009 NZ LYS A 64 -12.565 6.647 -9.319 1.00 0.00 N ATOM 0 H LYS A 64 -9.356 1.377 -7.443 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.437 4.046 -7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.709 3.426 -7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.026 2.706 -6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.949 4.725 -5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.294 5.218 -5.583 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.307 6.850 -7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.112 5.958 -7.975 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.764 4.698 -9.140 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.013 5.080 -7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.293 6.345 -9.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.953 7.390 -8.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.743 7.020 -9.836 1.00 0.00 H new ATOM 1023 N GLY A 65 -9.286 2.611 -4.352 1.00 0.00 N ATOM 1024 CA GLY A 65 -9.004 2.650 -2.926 1.00 0.00 C ATOM 1025 C GLY A 65 -7.525 2.542 -2.640 1.00 0.00 C ATOM 1026 O GLY A 65 -7.033 3.095 -1.664 1.00 0.00 O ATOM 0 H GLY A 65 -10.004 1.943 -4.632 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.388 3.579 -2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.530 1.834 -2.430 1.00 0.00 H new ATOM 1030 N ALA A 66 -6.818 1.830 -3.518 1.00 0.00 N ATOM 1031 CA ALA A 66 -5.384 1.665 -3.366 1.00 0.00 C ATOM 1032 C ALA A 66 -4.657 2.960 -3.686 1.00 0.00 C ATOM 1033 O ALA A 66 -4.045 3.563 -2.807 1.00 0.00 O ATOM 1034 CB ALA A 66 -4.876 0.536 -4.242 1.00 0.00 C ATOM 0 H ALA A 66 -7.217 1.364 -4.333 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.181 1.407 -2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.799 0.431 -4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.368 -0.394 -3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.095 0.759 -5.286 1.00 0.00 H new ATOM 1040 N TYR A 67 -4.742 3.395 -4.940 1.00 0.00 N ATOM 1041 CA TYR A 67 -4.095 4.646 -5.350 1.00 0.00 C ATOM 1042 C TYR A 67 -4.431 5.744 -4.354 1.00 0.00 C ATOM 1043 O TYR A 67 -3.547 6.450 -3.877 1.00 0.00 O ATOM 1044 CB TYR A 67 -4.514 5.048 -6.766 1.00 0.00 C ATOM 1045 CG TYR A 67 -3.456 5.852 -7.499 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -2.896 6.983 -6.912 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -3.036 5.481 -8.764 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -1.935 7.715 -7.588 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -2.079 6.219 -9.442 1.00 0.00 C ATOM 1050 CZ TYR A 67 -1.534 7.332 -8.849 1.00 0.00 C ATOM 1051 OH TYR A 67 -0.584 8.067 -9.521 1.00 0.00 O ATOM 0 H TYR A 67 -5.244 2.910 -5.684 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.016 4.494 -5.361 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.740 4.149 -7.340 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.433 5.632 -6.714 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.212 7.290 -5.926 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.460 4.604 -9.230 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.499 8.588 -7.126 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.763 5.921 -10.431 1.00 0.00 H new ATOM 0 HH TYR A 67 0.190 7.499 -9.719 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.704 5.867 -4.010 1.00 0.00 N ATOM 1062 CA ARG A 68 -6.125 6.864 -3.037 1.00 0.00 C ATOM 1063 C ARG A 68 -5.281 6.717 -1.775 1.00 0.00 C ATOM 1064 O ARG A 68 -4.800 7.707 -1.206 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.611 6.692 -2.703 1.00 0.00 C ATOM 1066 CG ARG A 68 -8.280 7.982 -2.251 1.00 0.00 C ATOM 1067 CD ARG A 68 -7.816 8.399 -0.862 1.00 0.00 C ATOM 1068 NE ARG A 68 -8.873 9.085 -0.150 1.00 0.00 N ATOM 1069 CZ ARG A 68 -9.951 8.487 0.299 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -10.113 7.180 0.147 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -10.861 9.187 0.960 1.00 0.00 N ATOM 0 H ARG A 68 -6.459 5.294 -4.387 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.984 7.860 -3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.132 6.309 -3.581 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.715 5.943 -1.918 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.057 8.777 -2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.362 7.850 -2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.504 7.519 -0.299 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.946 9.050 -0.945 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.775 10.087 0.011 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.395 6.628 -0.323 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.955 6.726 0.500 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.721 10.185 1.117 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.701 8.728 1.312 1.00 0.00 H new ATOM 1085 N VAL A 69 -5.066 5.472 -1.362 1.00 0.00 N ATOM 1086 CA VAL A 69 -4.258 5.189 -0.213 1.00 0.00 C ATOM 1087 C VAL A 69 -2.788 5.457 -0.498 1.00 0.00 C ATOM 1088 O VAL A 69 -2.016 5.773 0.313 1.00 0.00 O ATOM 1089 CB VAL A 69 -4.443 3.743 0.210 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -3.446 3.403 1.302 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -5.865 3.527 0.692 1.00 0.00 C ATOM 0 H VAL A 69 -5.450 4.646 -1.820 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.577 5.847 0.595 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.265 3.086 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.579 2.365 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.433 3.544 0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.609 4.056 2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.993 2.488 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.064 4.179 1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.561 3.759 -0.114 1.00 0.00 H new ATOM 1101 N ILE A 70 -2.413 5.338 -1.770 1.00 0.00 N ATOM 1102 CA ILE A 70 -1.038 5.582 -2.161 1.00 0.00 C ATOM 1103 C ILE A 70 -0.714 7.066 -2.080 1.00 0.00 C ATOM 1104 O ILE A 70 0.295 7.450 -1.667 1.00 0.00 O ATOM 1105 CB ILE A 70 -0.708 5.029 -3.568 1.00 0.00 C ATOM 1106 CG1 ILE A 70 0.677 4.602 -3.627 1.00 0.00 C ATOM 1107 CG2 ILE A 70 -0.989 6.042 -4.678 1.00 0.00 C ATOM 1108 CD1 ILE A 70 0.884 3.103 -3.530 1.00 0.00 C ATOM 0 H ILE A 70 -3.037 5.077 -2.534 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.409 5.040 -1.455 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.364 4.175 -3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.112 4.955 -4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.226 5.084 -2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.740 5.602 -5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.045 6.313 -4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.383 6.934 -4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.949 2.879 -3.583 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.484 2.741 -2.583 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.368 2.610 -4.354 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.678 7.894 -2.472 1.00 0.00 N ATOM 1121 CA GLU A 71 -1.506 9.335 -2.443 1.00 0.00 C ATOM 1122 C GLU A 71 -1.601 9.843 -1.011 1.00 0.00 C ATOM 1123 O GLU A 71 -0.944 10.820 -0.654 1.00 0.00 O ATOM 1124 CB GLU A 71 -2.569 10.013 -3.306 1.00 0.00 C ATOM 1125 CG GLU A 71 -3.994 9.686 -2.872 1.00 0.00 C ATOM 1126 CD GLU A 71 -5.012 10.660 -3.437 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -5.412 10.479 -4.603 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -5.397 11.604 -2.721 1.00 0.00 O ATOM 0 H GLU A 71 -2.588 7.586 -2.814 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.521 9.577 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.424 11.093 -3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.433 9.709 -4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.245 8.675 -3.194 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.050 9.697 -1.784 1.00 0.00 H new ATOM 1135 N HIS A 72 -2.418 9.175 -0.211 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.586 9.586 1.100 1.00 0.00 C ATOM 1137 C HIS A 72 -1.334 9.284 1.902 1.00 0.00 C ATOM 1138 O HIS A 72 -0.830 10.149 2.623 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.796 8.894 1.726 1.00 0.00 C ATOM 1140 CG HIS A 72 -4.377 9.651 2.879 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -5.690 10.045 2.944 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -3.798 10.092 4.025 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -5.897 10.697 4.073 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -4.760 10.737 4.748 1.00 0.00 N ATOM 0 H HIS A 72 -2.957 8.352 -0.482 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.761 10.662 1.110 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.564 8.759 0.964 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.504 7.899 2.063 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.766 9.957 4.312 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.836 11.125 4.392 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -4.624 11.177 5.658 1.00 0.00 H new ATOM 1153 N LEU A 73 -0.824 8.070 1.779 1.00 0.00 N ATOM 1154 CA LEU A 73 0.303 7.693 2.494 1.00 0.00 C ATOM 1155 C LEU A 73 1.509 8.361 1.852 1.00 0.00 C ATOM 1156 O LEU A 73 2.477 8.715 2.532 1.00 0.00 O ATOM 1157 CB LEU A 73 0.460 6.172 2.516 1.00 0.00 C ATOM 1158 CG LEU A 73 -0.659 5.378 3.046 1.00 0.00 C ATOM 1159 CD1 LEU A 73 -0.346 3.897 3.088 1.00 0.00 C ATOM 1160 CD2 LEU A 73 -1.065 5.882 4.423 1.00 0.00 C ATOM 0 H LEU A 73 -1.206 7.345 1.172 1.00 0.00 H new ATOM 0 HA LEU A 73 0.210 8.012 3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.654 5.840 1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.347 5.935 3.103 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.497 5.506 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.204 3.355 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.129 3.542 2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.520 3.726 3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.894 5.283 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.219 5.800 5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.374 6.925 4.352 1.00 0.00 H new ATOM 1172 N ILE A 74 1.427 8.573 0.534 1.00 0.00 N ATOM 1173 CA ILE A 74 2.499 9.231 -0.112 1.00 0.00 C ATOM 1174 C ILE A 74 2.841 10.551 0.487 1.00 0.00 C ATOM 1175 O ILE A 74 4.005 10.841 0.754 1.00 0.00 O ATOM 1176 CB ILE A 74 2.119 9.475 -1.594 1.00 0.00 C ATOM 1177 CG1 ILE A 74 2.773 8.425 -2.499 1.00 0.00 C ATOM 1178 CG2 ILE A 74 2.507 10.876 -2.050 1.00 0.00 C ATOM 1179 CD1 ILE A 74 1.941 8.048 -3.711 1.00 0.00 C ATOM 0 H ILE A 74 0.647 8.299 -0.064 1.00 0.00 H new ATOM 0 HA ILE A 74 3.368 8.582 -0.003 1.00 0.00 H new ATOM 0 HB ILE A 74 1.036 9.385 -1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.738 8.803 -2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.970 7.527 -1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.225 11.010 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.990 11.614 -1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.584 11.007 -1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.473 7.301 -4.300 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.985 7.639 -3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.766 8.934 -4.322 1.00 0.00 H new ATOM 1191 N LYS A 75 1.797 11.333 0.783 1.00 0.00 N ATOM 1192 CA LYS A 75 1.986 12.607 1.456 1.00 0.00 C ATOM 1193 C LYS A 75 2.310 12.384 2.925 1.00 0.00 C ATOM 1194 O LYS A 75 3.050 13.156 3.532 1.00 0.00 O ATOM 1195 CB LYS A 75 0.731 13.469 1.284 1.00 0.00 C ATOM 1196 CG LYS A 75 -0.084 13.562 2.521 1.00 0.00 C ATOM 1197 CD LYS A 75 0.376 14.597 3.502 1.00 0.00 C ATOM 1198 CE LYS A 75 -0.228 15.948 3.302 1.00 0.00 C ATOM 1199 NZ LYS A 75 -0.375 16.684 4.582 1.00 0.00 N ATOM 0 H LYS A 75 0.827 11.103 0.567 1.00 0.00 H new ATOM 0 HA LYS A 75 2.829 13.134 1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.026 14.471 0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.119 13.054 0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.116 13.778 2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.083 12.590 3.013 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.143 14.254 4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.461 14.684 3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.395 16.527 2.620 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.205 15.843 2.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.798 17.617 4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.990 16.145 5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.560 16.807 5.021 1.00 0.00 H new ATOM 1213 N ASN A 76 1.754 11.312 3.493 1.00 0.00 N ATOM 1214 CA ASN A 76 2.005 10.988 4.894 1.00 0.00 C ATOM 1215 C ASN A 76 3.500 10.998 5.173 1.00 0.00 C ATOM 1216 O ASN A 76 3.959 11.567 6.171 1.00 0.00 O ATOM 1217 CB ASN A 76 1.420 9.618 5.239 1.00 0.00 C ATOM 1218 CG ASN A 76 1.313 9.383 6.735 1.00 0.00 C ATOM 1219 OD1 ASN A 76 2.289 9.547 7.457 1.00 0.00 O ATOM 1220 ND2 ASN A 76 0.133 9.002 7.187 1.00 0.00 N ATOM 0 H ASN A 76 1.135 10.662 3.009 1.00 0.00 H new ATOM 0 HA ASN A 76 1.521 11.741 5.516 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.431 9.527 4.790 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.043 8.840 4.797 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.000 8.829 8.183 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.646 8.881 6.540 1.00 0.00 H new ATOM 1227 N GLU A 77 4.258 10.390 4.267 1.00 0.00 N ATOM 1228 CA GLU A 77 5.720 10.345 4.398 1.00 0.00 C ATOM 1229 C GLU A 77 6.345 9.483 3.320 1.00 0.00 C ATOM 1230 O GLU A 77 7.371 8.837 3.555 1.00 0.00 O ATOM 1231 CB GLU A 77 6.130 9.860 5.788 1.00 0.00 C ATOM 1232 CG GLU A 77 6.794 10.930 6.639 1.00 0.00 C ATOM 1233 CD GLU A 77 8.184 11.278 6.161 1.00 0.00 C ATOM 1234 OE1 GLU A 77 9.112 10.470 6.378 1.00 0.00 O ATOM 1235 OE2 GLU A 77 8.347 12.358 5.551 1.00 0.00 O ATOM 0 H GLU A 77 3.893 9.923 3.437 1.00 0.00 H new ATOM 0 HA GLU A 77 6.094 11.361 4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.247 9.491 6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.813 9.017 5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.177 11.828 6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.845 10.586 7.672 1.00 0.00 H new ATOM 1242 N ILE A 78 5.721 9.486 2.148 1.00 0.00 N ATOM 1243 CA ILE A 78 6.181 8.724 0.994 1.00 0.00 C ATOM 1244 C ILE A 78 6.988 7.488 1.382 1.00 0.00 C ATOM 1245 O ILE A 78 7.948 7.123 0.717 1.00 0.00 O ATOM 1246 CB ILE A 78 6.983 9.606 0.032 1.00 0.00 C ATOM 1247 CG1 ILE A 78 7.438 8.781 -1.109 1.00 0.00 C ATOM 1248 CG2 ILE A 78 8.169 10.259 0.709 1.00 0.00 C ATOM 1249 CD1 ILE A 78 7.119 9.439 -2.425 1.00 0.00 C ATOM 0 H ILE A 78 4.872 10.023 1.971 1.00 0.00 H new ATOM 0 HA ILE A 78 5.284 8.372 0.485 1.00 0.00 H new ATOM 0 HB ILE A 78 6.334 10.409 -0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.513 8.616 -1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.961 7.802 -1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.707 10.874 -0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.820 10.885 1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.836 9.489 1.097 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.467 8.806 -3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.042 9.581 -2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.617 10.407 -2.478 1.00 0.00 H new ATOM 1261 N GLU A 79 6.564 6.833 2.454 1.00 0.00 N ATOM 1262 CA GLU A 79 7.218 5.630 2.899 1.00 0.00 C ATOM 1263 C GLU A 79 6.724 4.463 2.060 1.00 0.00 C ATOM 1264 O GLU A 79 7.250 3.350 2.146 1.00 0.00 O ATOM 1265 CB GLU A 79 6.953 5.381 4.387 1.00 0.00 C ATOM 1266 CG GLU A 79 5.502 5.611 4.789 1.00 0.00 C ATOM 1267 CD GLU A 79 5.281 6.991 5.374 1.00 0.00 C ATOM 1268 OE1 GLU A 79 5.747 7.244 6.505 1.00 0.00 O ATOM 1269 OE2 GLU A 79 4.639 7.825 4.700 1.00 0.00 O ATOM 0 H GLU A 79 5.770 7.122 3.025 1.00 0.00 H new ATOM 0 HA GLU A 79 8.295 5.737 2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.232 4.356 4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.594 6.036 4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.861 5.481 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.205 4.857 5.518 1.00 0.00 H new ATOM 1276 N ILE A 80 5.715 4.735 1.248 1.00 0.00 N ATOM 1277 CA ILE A 80 5.129 3.735 0.369 1.00 0.00 C ATOM 1278 C ILE A 80 6.192 3.060 -0.399 1.00 0.00 C ATOM 1279 O ILE A 80 6.412 1.854 -0.292 1.00 0.00 O ATOM 1280 CB ILE A 80 4.079 4.382 -0.478 1.00 0.00 C ATOM 1281 CG1 ILE A 80 2.992 5.057 0.267 1.00 0.00 C ATOM 1282 CG2 ILE A 80 3.471 3.343 -1.414 1.00 0.00 C ATOM 1283 CD1 ILE A 80 1.851 5.582 -0.493 1.00 0.00 C ATOM 0 H ILE A 80 5.279 5.655 1.179 1.00 0.00 H new ATOM 0 HA ILE A 80 4.630 2.952 0.940 1.00 0.00 H new ATOM 0 HB ILE A 80 4.596 5.171 -1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.605 4.352 1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.433 5.886 0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.706 3.813 -2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.250 2.929 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.022 2.543 -0.826 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.141 6.046 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.202 6.324 -1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.362 4.766 -1.025 1.00 0.00 H new ATOM 1295 N TRP A 81 6.846 3.836 -1.260 1.00 0.00 N ATOM 1296 CA TRP A 81 7.872 3.298 -2.146 1.00 0.00 C ATOM 1297 C TRP A 81 8.844 2.400 -1.396 1.00 0.00 C ATOM 1298 O TRP A 81 9.422 1.484 -1.971 1.00 0.00 O ATOM 1299 CB TRP A 81 8.646 4.422 -2.848 1.00 0.00 C ATOM 1300 CG TRP A 81 7.772 5.484 -3.444 1.00 0.00 C ATOM 1301 CD1 TRP A 81 8.156 6.736 -3.824 1.00 0.00 C ATOM 1302 CD2 TRP A 81 6.377 5.380 -3.755 1.00 0.00 C ATOM 1303 NE1 TRP A 81 7.076 7.429 -4.332 1.00 0.00 N ATOM 1304 CE2 TRP A 81 5.972 6.612 -4.295 1.00 0.00 C ATOM 1305 CE3 TRP A 81 5.417 4.375 -3.614 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 4.673 6.868 -4.706 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 4.126 4.629 -4.020 1.00 0.00 C ATOM 1308 CH2 TRP A 81 3.764 5.856 -4.557 1.00 0.00 C ATOM 0 H TRP A 81 6.683 4.838 -1.362 1.00 0.00 H new ATOM 0 HA TRP A 81 7.357 2.700 -2.898 1.00 0.00 H new ATOM 0 HB2 TRP A 81 9.325 4.884 -2.131 1.00 0.00 H new ATOM 0 HB3 TRP A 81 9.262 3.988 -3.636 1.00 0.00 H new ATOM 0 HD1 TRP A 81 9.159 7.128 -3.740 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.094 8.389 -4.678 1.00 0.00 H new ATOM 0 HE3 TRP A 81 5.683 3.416 -3.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.391 7.823 -5.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 3.379 3.856 -3.918 1.00 0.00 H new ATOM 0 HH2 TRP A 81 2.741 6.016 -4.865 1.00 0.00 H new ATOM 1319 N ARG A 82 9.038 2.672 -0.117 1.00 0.00 N ATOM 1320 CA ARG A 82 9.942 1.868 0.619 1.00 0.00 C ATOM 1321 C ARG A 82 9.450 0.438 0.781 1.00 0.00 C ATOM 1322 O ARG A 82 10.224 -0.439 0.711 1.00 0.00 O ATOM 1323 CB ARG A 82 10.146 2.518 1.990 1.00 0.00 C ATOM 1324 CG ARG A 82 10.548 3.978 1.924 1.00 0.00 C ATOM 1325 CD ARG A 82 11.950 4.156 1.369 1.00 0.00 C ATOM 1326 NE ARG A 82 12.619 5.328 1.915 1.00 0.00 N ATOM 1327 CZ ARG A 82 13.936 5.538 1.845 1.00 0.00 C ATOM 1328 NH1 ARG A 82 14.724 4.650 1.256 1.00 0.00 N ATOM 1329 NH2 ARG A 82 14.457 6.636 2.371 1.00 0.00 N ATOM 0 H ARG A 82 8.587 3.425 0.403 1.00 0.00 H new ATOM 0 HA ARG A 82 10.883 1.809 0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.223 2.431 2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.912 1.965 2.533 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.839 4.522 1.300 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.494 4.414 2.921 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.541 3.267 1.591 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.900 4.243 0.284 1.00 0.00 H new ATOM 0 HE ARG A 82 12.046 6.033 2.380 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.325 3.802 0.854 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.729 4.815 1.205 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.853 7.319 2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.463 6.799 2.319 1.00 0.00 H new ATOM 1343 N GLU A 83 8.156 0.282 1.013 1.00 0.00 N ATOM 1344 CA GLU A 83 7.572 -0.953 1.197 1.00 0.00 C ATOM 1345 C GLU A 83 7.077 -1.537 -0.095 1.00 0.00 C ATOM 1346 O GLU A 83 6.993 -2.749 -0.220 1.00 0.00 O ATOM 1347 CB GLU A 83 6.406 -0.909 2.193 1.00 0.00 C ATOM 1348 CG GLU A 83 6.582 0.012 3.323 1.00 0.00 C ATOM 1349 CD GLU A 83 5.261 0.615 3.761 1.00 0.00 C ATOM 1350 OE1 GLU A 83 4.561 -0.013 4.569 1.00 0.00 O ATOM 1351 OE2 GLU A 83 4.930 1.718 3.289 1.00 0.00 O ATOM 0 H GLU A 83 7.500 1.061 1.072 1.00 0.00 H new ATOM 0 HA GLU A 83 8.360 -1.587 1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.500 -0.629 1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.246 -1.913 2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.035 -0.520 4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.271 0.808 3.041 1.00 0.00 H new ATOM 1358 N LEU A 84 6.750 -0.657 -0.972 1.00 0.00 N ATOM 1359 CA LEU A 84 6.253 -1.071 -2.270 1.00 0.00 C ATOM 1360 C LEU A 84 7.406 -1.523 -3.160 1.00 0.00 C ATOM 1361 O LEU A 84 7.235 -2.387 -4.021 1.00 0.00 O ATOM 1362 CB LEU A 84 5.465 0.011 -2.922 1.00 0.00 C ATOM 1363 CG LEU A 84 4.034 0.156 -2.394 1.00 0.00 C ATOM 1364 CD1 LEU A 84 3.111 -0.784 -3.018 1.00 0.00 C ATOM 1365 CD2 LEU A 84 3.998 0.048 -0.869 1.00 0.00 C ATOM 0 H LEU A 84 6.810 0.352 -0.833 1.00 0.00 H new ATOM 0 HA LEU A 84 5.581 -1.916 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.988 0.958 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.426 -0.180 -3.994 1.00 0.00 H new ATOM 0 HG LEU A 84 3.693 1.154 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.111 -0.639 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.090 -0.613 -4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.440 -1.804 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.971 0.154 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.386 -0.924 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.612 0.836 -0.434 1.00 0.00 H new ATOM 1377 N THR A 85 8.583 -0.952 -2.930 1.00 0.00 N ATOM 1378 CA THR A 85 9.762 -1.323 -3.686 1.00 0.00 C ATOM 1379 C THR A 85 10.428 -2.532 -3.040 1.00 0.00 C ATOM 1380 O THR A 85 11.026 -3.369 -3.717 1.00 0.00 O ATOM 1381 CB THR A 85 10.749 -0.163 -3.770 1.00 0.00 C ATOM 1382 OG1 THR A 85 11.641 -0.329 -4.860 1.00 0.00 O ATOM 1383 CG2 THR A 85 11.584 -0.016 -2.520 1.00 0.00 C ATOM 0 H THR A 85 8.741 -0.231 -2.226 1.00 0.00 H new ATOM 0 HA THR A 85 9.454 -1.577 -4.700 1.00 0.00 H new ATOM 0 HB THR A 85 10.137 0.730 -3.901 1.00 0.00 H new ATOM 0 HG1 THR A 85 12.262 0.428 -4.893 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.268 0.825 -2.636 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.931 0.163 -1.665 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.156 -0.929 -2.355 1.00 0.00 H new ATOM 1391 N ALA A 86 10.324 -2.621 -1.710 1.00 0.00 N ATOM 1392 CA ALA A 86 10.897 -3.723 -0.961 1.00 0.00 C ATOM 1393 C ALA A 86 10.083 -5.000 -1.156 1.00 0.00 C ATOM 1394 O ALA A 86 10.639 -6.087 -1.301 1.00 0.00 O ATOM 1395 CB ALA A 86 10.986 -3.373 0.431 1.00 0.00 C ATOM 0 H ALA A 86 9.842 -1.931 -1.134 1.00 0.00 H new ATOM 0 HA ALA A 86 11.902 -3.916 -1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.417 -4.205 0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.619 -2.493 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 86 9.990 -3.156 0.816 1.00 0.00 H new ATOM 1401 N LYS A 87 8.757 -4.865 -1.171 1.00 0.00 N ATOM 1402 CA LYS A 87 7.879 -6.014 -1.362 1.00 0.00 C ATOM 1403 C LYS A 87 8.151 -6.687 -2.704 1.00 0.00 C ATOM 1404 O LYS A 87 8.427 -7.879 -2.750 1.00 0.00 O ATOM 1405 CB LYS A 87 6.411 -5.589 -1.273 1.00 0.00 C ATOM 1406 CG LYS A 87 5.760 -5.945 -0.025 1.00 0.00 C ATOM 1407 CD LYS A 87 4.827 -4.838 0.448 1.00 0.00 C ATOM 1408 CE LYS A 87 4.908 -4.653 1.958 1.00 0.00 C ATOM 1409 NZ LYS A 87 3.550 -4.531 2.569 1.00 0.00 N ATOM 0 H LYS A 87 8.271 -3.976 -1.054 1.00 0.00 H new ATOM 0 HA LYS A 87 8.085 -6.732 -0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.349 -4.509 -1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.863 -6.044 -2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.195 -6.868 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.514 -6.139 0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.087 -3.903 -0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.802 -5.077 0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.433 -5.499 2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.492 -3.761 2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.516 -3.686 3.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.837 -4.446 1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.350 -5.376 3.142 1.00 0.00 H new ATOM 1423 N TYR A 88 8.054 -5.902 -3.779 1.00 0.00 N ATOM 1424 CA TYR A 88 8.286 -6.392 -5.140 1.00 0.00 C ATOM 1425 C TYR A 88 6.992 -6.882 -5.758 1.00 0.00 C ATOM 1426 O TYR A 88 6.648 -8.062 -5.692 1.00 0.00 O ATOM 1427 CB TYR A 88 9.353 -7.492 -5.189 1.00 0.00 C ATOM 1428 CG TYR A 88 10.577 -7.199 -4.351 1.00 0.00 C ATOM 1429 CD1 TYR A 88 11.251 -5.991 -4.464 1.00 0.00 C ATOM 1430 CD2 TYR A 88 11.060 -8.137 -3.441 1.00 0.00 C ATOM 1431 CE1 TYR A 88 12.368 -5.721 -3.704 1.00 0.00 C ATOM 1432 CE2 TYR A 88 12.183 -7.874 -2.674 1.00 0.00 C ATOM 1433 CZ TYR A 88 12.828 -6.658 -2.813 1.00 0.00 C ATOM 1434 OH TYR A 88 13.946 -6.394 -2.051 1.00 0.00 O ATOM 0 H TYR A 88 7.813 -4.912 -3.732 1.00 0.00 H new ATOM 0 HA TYR A 88 8.663 -5.551 -5.722 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.910 -8.429 -4.851 1.00 0.00 H new ATOM 0 HB3 TYR A 88 9.661 -7.640 -6.224 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.893 -5.248 -5.161 1.00 0.00 H new ATOM 0 HD2 TYR A 88 10.551 -9.083 -3.332 1.00 0.00 H new ATOM 0 HE1 TYR A 88 12.880 -4.776 -3.809 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.551 -8.610 -1.975 1.00 0.00 H new ATOM 0 HH TYR A 88 14.136 -7.161 -1.472 1.00 0.00 H new ATOM 1444 N ASP A 89 6.309 -5.937 -6.369 1.00 0.00 N ATOM 1445 CA ASP A 89 5.049 -6.169 -7.044 1.00 0.00 C ATOM 1446 C ASP A 89 4.797 -5.000 -7.975 1.00 0.00 C ATOM 1447 O ASP A 89 4.701 -5.170 -9.198 1.00 0.00 O ATOM 1448 CB ASP A 89 3.906 -6.332 -6.033 1.00 0.00 C ATOM 1449 CG ASP A 89 3.280 -7.704 -6.081 1.00 0.00 C ATOM 1450 OD1 ASP A 89 2.577 -8.000 -7.064 1.00 0.00 O ATOM 1451 OD2 ASP A 89 3.495 -8.486 -5.131 1.00 0.00 O ATOM 0 H ASP A 89 6.620 -4.967 -6.411 1.00 0.00 H new ATOM 0 HA ASP A 89 5.095 -7.095 -7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.285 -6.145 -5.028 1.00 0.00 H new ATOM 0 HB3 ASP A 89 3.141 -5.581 -6.230 1.00 0.00 H new ATOM 1456 N PRO A 90 4.729 -3.779 -7.421 1.00 0.00 N ATOM 1457 CA PRO A 90 4.534 -2.575 -8.204 1.00 0.00 C ATOM 1458 C PRO A 90 5.854 -2.057 -8.766 1.00 0.00 C ATOM 1459 O PRO A 90 5.892 -1.453 -9.833 1.00 0.00 O ATOM 1460 CB PRO A 90 3.974 -1.600 -7.174 1.00 0.00 C ATOM 1461 CG PRO A 90 4.644 -1.989 -5.905 1.00 0.00 C ATOM 1462 CD PRO A 90 4.861 -3.483 -5.978 1.00 0.00 C ATOM 0 HA PRO A 90 3.888 -2.726 -9.069 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.196 -0.567 -7.441 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.890 -1.683 -7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.592 -1.464 -5.790 1.00 0.00 H new ATOM 0 HG3 PRO A 90 4.028 -1.728 -5.045 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.843 -3.765 -5.598 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.123 -4.026 -5.387 1.00 0.00 H new ATOM 1470 N THR A 91 6.946 -2.311 -8.037 1.00 0.00 N ATOM 1471 CA THR A 91 8.271 -1.870 -8.450 1.00 0.00 C ATOM 1472 C THR A 91 8.584 -2.260 -9.891 1.00 0.00 C ATOM 1473 O THR A 91 9.248 -1.529 -10.621 1.00 0.00 O ATOM 1474 CB THR A 91 9.333 -2.452 -7.501 1.00 0.00 C ATOM 1475 OG1 THR A 91 10.428 -1.565 -7.354 1.00 0.00 O ATOM 1476 CG2 THR A 91 9.882 -3.795 -7.940 1.00 0.00 C ATOM 0 H THR A 91 6.932 -2.823 -7.155 1.00 0.00 H new ATOM 0 HA THR A 91 8.288 -0.781 -8.399 1.00 0.00 H new ATOM 0 HB THR A 91 8.809 -2.591 -6.555 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.657 -1.483 -6.405 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.624 -4.138 -7.219 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.069 -4.519 -7.996 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.347 -3.695 -8.921 1.00 0.00 H new ATOM 1484 N GLY A 92 8.101 -3.428 -10.288 1.00 0.00 N ATOM 1485 CA GLY A 92 8.343 -3.929 -11.628 1.00 0.00 C ATOM 1486 C GLY A 92 8.099 -2.873 -12.697 1.00 0.00 C ATOM 1487 O GLY A 92 9.017 -2.492 -13.424 1.00 0.00 O ATOM 0 H GLY A 92 7.540 -4.044 -9.700 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.371 -4.284 -11.700 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.696 -4.786 -11.814 1.00 0.00 H new ATOM 1491 N ASN A 93 6.860 -2.417 -12.791 1.00 0.00 N ATOM 1492 CA ASN A 93 6.490 -1.403 -13.777 1.00 0.00 C ATOM 1493 C ASN A 93 5.132 -0.809 -13.427 1.00 0.00 C ATOM 1494 O ASN A 93 4.347 -0.448 -14.303 1.00 0.00 O ATOM 1495 CB ASN A 93 6.430 -2.033 -15.175 1.00 0.00 C ATOM 1496 CG ASN A 93 6.720 -1.020 -16.267 1.00 0.00 C ATOM 1497 OD1 ASN A 93 6.972 0.120 -15.998 1.00 0.00 O ATOM 1498 ND2 ASN A 93 6.691 -1.470 -17.518 1.00 0.00 N ATOM 0 H ASN A 93 6.091 -2.730 -12.199 1.00 0.00 H new ATOM 0 HA ASN A 93 7.240 -0.612 -13.770 1.00 0.00 H new ATOM 0 HB2 ASN A 93 7.150 -2.849 -15.236 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.443 -2.467 -15.335 1.00 0.00 H new ATOM 0 HD21 ASN A 93 6.888 -0.836 -18.293 1.00 0.00 H new ATOM 0 HD22 ASN A 93 6.472 -2.449 -17.703 1.00 0.00 H new ATOM 1505 N TRP A 94 4.866 -0.721 -12.124 1.00 0.00 N ATOM 1506 CA TRP A 94 3.602 -0.179 -11.637 1.00 0.00 C ATOM 1507 C TRP A 94 3.840 0.848 -10.623 1.00 0.00 C ATOM 1508 O TRP A 94 3.060 1.797 -10.520 1.00 0.00 O ATOM 1509 CB TRP A 94 2.764 -1.307 -11.013 1.00 0.00 C ATOM 1510 CG TRP A 94 3.033 -2.656 -11.632 1.00 0.00 C ATOM 1511 CD1 TRP A 94 4.016 -3.544 -11.279 1.00 0.00 C ATOM 1512 CD2 TRP A 94 2.310 -3.258 -12.707 1.00 0.00 C ATOM 1513 NE1 TRP A 94 3.942 -4.664 -12.085 1.00 0.00 N ATOM 1514 CE2 TRP A 94 2.909 -4.509 -12.965 1.00 0.00 C ATOM 1515 CE3 TRP A 94 1.220 -2.866 -13.484 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 2.443 -5.367 -13.957 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 0.760 -3.716 -14.476 1.00 0.00 C ATOM 1518 CH2 TRP A 94 1.367 -4.952 -14.705 1.00 0.00 C ATOM 0 H TRP A 94 5.509 -1.018 -11.390 1.00 0.00 H new ATOM 0 HA TRP A 94 3.070 0.264 -12.479 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.971 -1.357 -9.944 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.706 -1.068 -11.122 1.00 0.00 H new ATOM 0 HD1 TRP A 94 4.738 -3.391 -10.491 1.00 0.00 H new ATOM 0 HE1 TRP A 94 4.559 -5.475 -12.031 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.741 -1.913 -13.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 2.910 -6.325 -14.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -0.082 -3.418 -15.082 1.00 0.00 H new ATOM 0 HH2 TRP A 94 0.984 -5.594 -15.484 1.00 0.00 H new ATOM 1529 N ARG A 95 4.930 0.724 -9.877 1.00 0.00 N ATOM 1530 CA ARG A 95 5.279 1.724 -8.873 1.00 0.00 C ATOM 1531 C ARG A 95 5.445 3.086 -9.527 1.00 0.00 C ATOM 1532 O ARG A 95 5.202 4.119 -8.905 1.00 0.00 O ATOM 1533 CB ARG A 95 6.573 1.328 -8.151 1.00 0.00 C ATOM 1534 CG ARG A 95 6.628 1.797 -6.707 1.00 0.00 C ATOM 1535 CD ARG A 95 7.162 3.213 -6.605 1.00 0.00 C ATOM 1536 NE ARG A 95 8.423 3.378 -7.322 1.00 0.00 N ATOM 1537 CZ ARG A 95 9.600 2.978 -6.842 1.00 0.00 C ATOM 1538 NH1 ARG A 95 9.680 2.396 -5.654 1.00 0.00 N ATOM 1539 NH2 ARG A 95 10.703 3.169 -7.559 1.00 0.00 N ATOM 0 H ARG A 95 5.586 -0.054 -9.946 1.00 0.00 H new ATOM 0 HA ARG A 95 4.473 1.777 -8.141 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.677 0.243 -8.177 1.00 0.00 H new ATOM 0 HB3 ARG A 95 7.423 1.743 -8.692 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.631 1.750 -6.269 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.262 1.125 -6.128 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.424 3.908 -7.006 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.306 3.471 -5.556 1.00 0.00 H new ATOM 0 HE ARG A 95 8.402 3.823 -8.239 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.836 2.251 -5.099 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.585 2.093 -5.294 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.646 3.620 -8.472 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.606 2.865 -7.196 1.00 0.00 H new ATOM 1553 N LYS A 96 5.853 3.078 -10.792 1.00 0.00 N ATOM 1554 CA LYS A 96 6.038 4.310 -11.532 1.00 0.00 C ATOM 1555 C LYS A 96 4.736 5.091 -11.611 1.00 0.00 C ATOM 1556 O LYS A 96 4.746 6.316 -11.638 1.00 0.00 O ATOM 1557 CB LYS A 96 6.559 4.019 -12.948 1.00 0.00 C ATOM 1558 CG LYS A 96 5.696 3.043 -13.721 1.00 0.00 C ATOM 1559 CD LYS A 96 4.710 3.766 -14.633 1.00 0.00 C ATOM 1560 CE LYS A 96 4.424 2.968 -15.896 1.00 0.00 C ATOM 1561 NZ LYS A 96 4.276 3.849 -17.087 1.00 0.00 N ATOM 0 H LYS A 96 6.060 2.231 -11.321 1.00 0.00 H new ATOM 0 HA LYS A 96 6.776 4.912 -11.002 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.621 4.955 -13.503 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.571 3.621 -12.879 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.331 2.388 -14.317 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.149 2.408 -13.024 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.779 3.942 -14.095 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.112 4.743 -14.903 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.233 2.258 -16.068 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.513 2.386 -15.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.082 3.267 -17.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.488 4.510 -16.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.155 4.386 -17.233 1.00 0.00 H new ATOM 1575 N LYS A 97 3.621 4.378 -11.620 1.00 0.00 N ATOM 1576 CA LYS A 97 2.312 5.020 -11.661 1.00 0.00 C ATOM 1577 C LYS A 97 2.058 5.709 -10.333 1.00 0.00 C ATOM 1578 O LYS A 97 1.822 6.924 -10.279 1.00 0.00 O ATOM 1579 CB LYS A 97 1.221 3.990 -11.949 1.00 0.00 C ATOM 1580 CG LYS A 97 -0.102 4.405 -11.491 1.00 0.00 C ATOM 1581 CD LYS A 97 -1.161 3.961 -12.476 1.00 0.00 C ATOM 1582 CE LYS A 97 -1.642 5.122 -13.334 1.00 0.00 C ATOM 1583 NZ LYS A 97 -0.937 5.170 -14.646 1.00 0.00 N ATOM 0 H LYS A 97 3.593 3.359 -11.600 1.00 0.00 H new ATOM 0 HA LYS A 97 2.294 5.760 -12.462 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.184 3.801 -13.022 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.485 3.048 -11.469 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.306 3.976 -10.510 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.132 5.489 -11.378 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.759 3.176 -13.116 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.005 3.531 -11.936 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.715 5.030 -13.501 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.482 6.059 -12.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.292 5.974 -15.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.085 5.283 -14.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.111 4.286 -15.166 1.00 0.00 H new ATOM 1597 N TYR A 98 2.124 4.937 -9.257 1.00 0.00 N ATOM 1598 CA TYR A 98 1.909 5.468 -7.924 1.00 0.00 C ATOM 1599 C TYR A 98 2.964 6.534 -7.608 1.00 0.00 C ATOM 1600 O TYR A 98 2.706 7.452 -6.831 1.00 0.00 O ATOM 1601 CB TYR A 98 1.979 4.351 -6.876 1.00 0.00 C ATOM 1602 CG TYR A 98 0.734 3.500 -6.768 1.00 0.00 C ATOM 1603 CD1 TYR A 98 -0.444 4.004 -7.077 1.00 0.00 C ATOM 1604 CD2 TYR A 98 0.816 2.177 -6.345 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -1.574 3.223 -6.957 1.00 0.00 C ATOM 1606 CE2 TYR A 98 -0.237 1.395 -6.219 1.00 0.00 C ATOM 1607 CZ TYR A 98 -1.462 1.925 -6.525 1.00 0.00 C ATOM 1608 OH TYR A 98 -2.593 1.149 -6.398 1.00 0.00 O ATOM 0 H TYR A 98 2.326 3.938 -9.285 1.00 0.00 H new ATOM 0 HA TYR A 98 0.916 5.917 -7.891 1.00 0.00 H new ATOM 0 HB2 TYR A 98 2.824 3.704 -7.112 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.181 4.798 -5.903 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.524 5.024 -7.423 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.789 1.772 -6.109 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.543 3.631 -7.202 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.137 0.372 -5.886 1.00 0.00 H new ATOM 0 HH TYR A 98 -3.047 1.088 -7.264 1.00 0.00 H new ATOM 1618 N GLU A 99 4.143 6.415 -8.221 1.00 0.00 N ATOM 1619 CA GLU A 99 5.211 7.383 -7.996 1.00 0.00 C ATOM 1620 C GLU A 99 5.063 8.572 -8.943 1.00 0.00 C ATOM 1621 O GLU A 99 5.439 9.690 -8.606 1.00 0.00 O ATOM 1622 CB GLU A 99 6.585 6.726 -8.165 1.00 0.00 C ATOM 1623 CG GLU A 99 7.229 6.943 -9.530 1.00 0.00 C ATOM 1624 CD GLU A 99 8.482 6.117 -9.719 1.00 0.00 C ATOM 1625 OE1 GLU A 99 9.100 5.725 -8.702 1.00 0.00 O ATOM 1626 OE2 GLU A 99 8.853 5.868 -10.889 1.00 0.00 O ATOM 0 H GLU A 99 4.379 5.665 -8.871 1.00 0.00 H new ATOM 0 HA GLU A 99 5.133 7.746 -6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.255 7.112 -7.396 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.485 5.655 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.511 6.691 -10.311 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.473 7.999 -9.649 1.00 0.00 H new ATOM 1633 N ASP A 100 4.482 8.319 -10.114 1.00 0.00 N ATOM 1634 CA ASP A 100 4.271 9.374 -11.101 1.00 0.00 C ATOM 1635 C ASP A 100 3.572 10.559 -10.459 1.00 0.00 C ATOM 1636 O ASP A 100 3.985 11.717 -10.642 1.00 0.00 O ATOM 1637 CB ASP A 100 3.442 8.852 -12.274 1.00 0.00 C ATOM 1638 CG ASP A 100 3.136 9.933 -13.294 1.00 0.00 C ATOM 1639 OD1 ASP A 100 4.079 10.615 -13.739 1.00 0.00 O ATOM 1640 OD2 ASP A 100 1.945 10.084 -13.649 1.00 0.00 O ATOM 0 H ASP A 100 4.151 7.398 -10.401 1.00 0.00 H new ATOM 0 HA ASP A 100 5.243 9.695 -11.476 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.979 8.038 -12.761 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.507 8.436 -11.898 1.00 0.00 H new ATOM 1645 N ARG A 101 2.541 10.276 -9.679 1.00 0.00 N ATOM 1646 CA ARG A 101 1.801 11.319 -8.987 1.00 0.00 C ATOM 1647 C ARG A 101 2.723 12.095 -8.055 1.00 0.00 C ATOM 1648 O ARG A 101 2.689 13.328 -8.011 1.00 0.00 O ATOM 1649 CB ARG A 101 0.654 10.715 -8.189 1.00 0.00 C ATOM 1650 CG ARG A 101 -0.560 11.492 -8.345 1.00 0.00 C ATOM 1651 CD ARG A 101 -1.325 11.581 -7.033 1.00 0.00 C ATOM 1652 NE ARG A 101 -2.226 12.732 -7.002 1.00 0.00 N ATOM 1653 CZ ARG A 101 -1.815 13.998 -6.989 1.00 0.00 C ATOM 1654 NH1 ARG A 101 -0.518 14.275 -7.004 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -2.697 14.983 -6.963 1.00 0.00 N ATOM 0 H ARG A 101 2.197 9.331 -9.509 1.00 0.00 H new ATOM 0 HA ARG A 101 1.394 12.002 -9.733 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.478 9.691 -8.518 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.926 10.669 -7.135 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.312 12.494 -8.694 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.192 11.037 -9.108 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.900 10.667 -6.886 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.619 11.651 -6.206 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.230 12.554 -6.990 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.165 13.518 -7.026 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.204 15.245 -6.994 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.695 14.774 -6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -2.379 15.952 -6.953 1.00 0.00 H new ATOM 1669 N ALA A 102 3.560 11.365 -7.326 1.00 0.00 N ATOM 1670 CA ALA A 102 4.502 11.978 -6.405 1.00 0.00 C ATOM 1671 C ALA A 102 5.435 12.932 -7.142 1.00 0.00 C ATOM 1672 O ALA A 102 6.099 13.764 -6.522 1.00 0.00 O ATOM 1673 CB ALA A 102 5.302 10.905 -5.688 1.00 0.00 C ATOM 0 H ALA A 102 3.603 10.346 -7.357 1.00 0.00 H new ATOM 0 HA ALA A 102 3.941 12.553 -5.668 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.005 11.374 -5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.625 10.258 -5.130 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.851 10.311 -6.419 1.00 0.00 H new ATOM 1679 N LYS A 103 5.469 12.822 -8.470 1.00 0.00 N ATOM 1680 CA LYS A 103 6.315 13.687 -9.282 1.00 0.00 C ATOM 1681 C LYS A 103 5.606 15.006 -9.558 1.00 0.00 C ATOM 1682 O LYS A 103 6.228 16.071 -9.568 1.00 0.00 O ATOM 1683 CB LYS A 103 6.679 12.996 -10.604 1.00 0.00 C ATOM 1684 CG LYS A 103 8.081 13.318 -11.078 1.00 0.00 C ATOM 1685 CD LYS A 103 8.708 12.122 -11.792 1.00 0.00 C ATOM 1686 CE LYS A 103 8.000 11.813 -13.101 1.00 0.00 C ATOM 1687 NZ LYS A 103 8.283 10.432 -13.576 1.00 0.00 N ATOM 0 H LYS A 103 4.922 12.145 -9.002 1.00 0.00 H new ATOM 0 HA LYS A 103 7.234 13.888 -8.731 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.582 11.917 -10.481 1.00 0.00 H new ATOM 0 HB3 LYS A 103 5.965 13.295 -11.372 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.053 14.174 -11.752 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.700 13.603 -10.227 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.761 12.326 -11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.668 11.248 -11.142 1.00 0.00 H new ATOM 0 HE2 LYS A 103 6.925 11.938 -12.970 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.314 12.529 -13.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 7.781 10.263 -14.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.306 10.319 -13.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 7.960 9.747 -12.863 1.00 0.00 H new ATOM 1701 N ALA A 104 4.298 14.927 -9.772 1.00 0.00 N ATOM 1702 CA ALA A 104 3.499 16.109 -10.034 1.00 0.00 C ATOM 1703 C ALA A 104 3.308 16.920 -8.760 1.00 0.00 C ATOM 1704 O ALA A 104 3.248 18.148 -8.787 1.00 0.00 O ATOM 1705 CB ALA A 104 2.147 15.716 -10.621 1.00 0.00 C ATOM 0 H ALA A 104 3.771 14.054 -9.768 1.00 0.00 H new ATOM 0 HA ALA A 104 4.027 16.728 -10.759 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.559 16.613 -10.812 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.299 15.176 -11.555 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.616 15.077 -9.915 1.00 0.00 H new ATOM 1711 N ALA A 105 3.224 16.218 -7.630 1.00 0.00 N ATOM 1712 CA ALA A 105 3.044 16.868 -6.348 1.00 0.00 C ATOM 1713 C ALA A 105 4.391 17.268 -5.738 1.00 0.00 C ATOM 1714 O ALA A 105 4.520 18.338 -5.145 1.00 0.00 O ATOM 1715 CB ALA A 105 2.287 15.956 -5.392 1.00 0.00 C ATOM 0 H ALA A 105 3.279 15.200 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 105 2.460 17.774 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.160 16.459 -4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.309 15.721 -5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.850 15.034 -5.246 1.00 0.00 H new ATOM 1721 N GLY A 106 5.387 16.393 -5.891 1.00 0.00 N ATOM 1722 CA GLY A 106 6.703 16.664 -5.359 1.00 0.00 C ATOM 1723 C GLY A 106 7.074 15.673 -4.269 1.00 0.00 C ATOM 1724 O GLY A 106 8.243 15.336 -4.099 1.00 0.00 O ATOM 0 H GLY A 106 5.298 15.500 -6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.439 16.617 -6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.734 17.677 -4.958 1.00 0.00 H new ATOM 1728 N ILE A 107 6.065 15.208 -3.547 1.00 0.00 N ATOM 1729 CA ILE A 107 6.260 14.252 -2.477 1.00 0.00 C ATOM 1730 C ILE A 107 6.875 12.963 -3.010 1.00 0.00 C ATOM 1731 O ILE A 107 6.170 12.058 -3.461 1.00 0.00 O ATOM 1732 CB ILE A 107 4.921 13.934 -1.771 1.00 0.00 C ATOM 1733 CG1 ILE A 107 5.060 12.734 -0.839 1.00 0.00 C ATOM 1734 CG2 ILE A 107 3.812 13.689 -2.786 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.102 12.938 0.153 1.00 0.00 C ATOM 0 H ILE A 107 5.093 15.484 -3.689 1.00 0.00 H new ATOM 0 HA ILE A 107 6.943 14.699 -1.754 1.00 0.00 H new ATOM 0 HB ILE A 107 4.653 14.804 -1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.110 12.553 -0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.286 11.843 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.882 13.468 -2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.679 14.579 -3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.080 12.845 -3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.169 12.061 0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.057 13.093 -0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.863 13.814 0.757 1.00 0.00 H new ATOM 1747 N VAL A 108 8.205 12.871 -2.953 1.00 0.00 N ATOM 1748 CA VAL A 108 8.909 11.695 -3.423 1.00 0.00 C ATOM 1749 C VAL A 108 9.711 11.070 -2.285 1.00 0.00 C ATOM 1750 O VAL A 108 9.954 11.707 -1.257 1.00 0.00 O ATOM 1751 CB VAL A 108 9.842 12.007 -4.599 1.00 0.00 C ATOM 1752 CG1 VAL A 108 10.195 10.726 -5.345 1.00 0.00 C ATOM 1753 CG2 VAL A 108 9.205 13.015 -5.544 1.00 0.00 C ATOM 0 H VAL A 108 8.810 13.604 -2.583 1.00 0.00 H new ATOM 0 HA VAL A 108 8.155 10.991 -3.775 1.00 0.00 H new ATOM 0 HB VAL A 108 10.758 12.446 -4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 108 10.858 10.961 -6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.696 10.036 -4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 108 9.284 10.264 -5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 108 9.886 13.220 -6.370 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.272 12.608 -5.935 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.000 13.940 -5.005 1.00 0.00 H new ATOM 1763 N ILE A 109 10.125 9.813 -2.472 1.00 0.00 N ATOM 1764 CA ILE A 109 10.904 9.105 -1.461 1.00 0.00 C ATOM 1765 C ILE A 109 12.019 9.988 -0.894 1.00 0.00 C ATOM 1766 O ILE A 109 12.722 10.661 -1.643 1.00 0.00 O ATOM 1767 CB ILE A 109 11.495 7.793 -2.033 1.00 0.00 C ATOM 1768 CG1 ILE A 109 11.838 6.824 -0.897 1.00 0.00 C ATOM 1769 CG2 ILE A 109 12.726 8.081 -2.887 1.00 0.00 C ATOM 1770 CD1 ILE A 109 10.616 6.330 -0.148 1.00 0.00 C ATOM 0 H ILE A 109 9.932 9.269 -3.313 1.00 0.00 H new ATOM 0 HA ILE A 109 10.225 8.852 -0.646 1.00 0.00 H new ATOM 0 HB ILE A 109 10.744 7.326 -2.671 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.376 5.969 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.511 7.318 -0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.124 7.145 -3.278 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.449 8.732 -3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.485 8.572 -2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 109 10.926 5.648 0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.090 7.178 0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.953 5.808 -0.838 1.00 0.00 H new ATOM 1782 N PRO A 110 12.193 9.990 0.365 1.00 0.00 N ATOM 1783 CA PRO A 110 13.225 10.806 1.002 1.00 0.00 C ATOM 1784 C PRO A 110 14.607 10.166 0.908 1.00 0.00 C ATOM 1785 O PRO A 110 15.255 9.907 1.912 1.00 0.00 O ATOM 1786 CB PRO A 110 12.754 10.874 2.453 1.00 0.00 C ATOM 1787 CG PRO A 110 11.968 9.629 2.673 1.00 0.00 C ATOM 1788 CD PRO A 110 11.406 9.222 1.330 1.00 0.00 C ATOM 0 HA PRO A 110 13.339 11.781 0.529 1.00 0.00 H new ATOM 0 HB2 PRO A 110 13.600 10.931 3.138 1.00 0.00 H new ATOM 0 HB3 PRO A 110 12.143 11.760 2.627 1.00 0.00 H new ATOM 0 HG2 PRO A 110 12.600 8.841 3.082 1.00 0.00 H new ATOM 0 HG3 PRO A 110 11.166 9.800 3.391 1.00 0.00 H new ATOM 0 HD2 PRO A 110 11.508 8.150 1.164 1.00 0.00 H new ATOM 0 HD3 PRO A 110 10.344 9.457 1.255 1.00 0.00 H new ATOM 1796 N GLU A 111 15.039 9.919 -0.243 1.00 0.00 N ATOM 1797 CA GLU A 111 16.347 9.308 -0.483 1.00 0.00 C ATOM 1798 C GLU A 111 17.467 10.297 -0.194 1.00 0.00 C ATOM 1799 O GLU A 111 18.056 10.871 -1.099 1.00 0.00 O ATOM 1800 CB GLU A 111 16.438 8.819 -1.934 1.00 0.00 C ATOM 1801 CG GLU A 111 15.743 9.727 -2.936 1.00 0.00 C ATOM 1802 CD GLU A 111 16.168 9.453 -4.369 1.00 0.00 C ATOM 1803 OE1 GLU A 111 16.038 8.287 -4.807 1.00 0.00 O ATOM 1804 OE2 GLU A 111 16.628 10.395 -5.038 1.00 0.00 O ATOM 0 H GLU A 111 14.516 10.123 -1.095 1.00 0.00 H new ATOM 0 HA GLU A 111 16.459 8.458 0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 111 17.488 8.726 -2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 111 16.002 7.822 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.664 9.597 -2.850 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.960 10.766 -2.690 1.00 0.00 H new ATOM 1811 N GLU A 112 17.756 10.476 1.011 1.00 0.00 N ATOM 1812 CA GLU A 112 18.805 11.393 1.432 1.00 0.00 C ATOM 1813 C GLU A 112 20.178 10.747 1.280 1.00 0.00 C ATOM 1814 O GLU A 112 20.925 11.167 0.391 1.00 0.00 O ATOM 1815 CB GLU A 112 18.603 11.844 2.887 1.00 0.00 C ATOM 1816 CG GLU A 112 17.511 11.088 3.644 1.00 0.00 C ATOM 1817 CD GLU A 112 17.392 11.527 5.084 1.00 0.00 C ATOM 1818 OE1 GLU A 112 18.228 11.103 5.915 1.00 0.00 O ATOM 1819 OE2 GLU A 112 16.460 12.306 5.395 1.00 0.00 O ATOM 1820 OXT GLU A 112 20.491 9.829 2.065 1.00 0.00 O ATOM 0 H GLU A 112 17.286 10.000 1.781 1.00 0.00 H new ATOM 0 HA GLU A 112 18.749 12.271 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 112 19.545 11.728 3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 112 18.361 12.907 2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 112 16.555 11.239 3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 112 17.724 10.020 3.610 1.00 0.00 H new TER 1827 GLU A 112