USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 863 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 98 ASN : amide:sc= -1.66! C(o=-3.5!,f=-6.1!) USER MOD Set 1.2: A 103 GLN : amide:sc= -1.88! C(o=-3.5!,f=-1.4!) USER MOD Set 2.1: A 1 MET N :NH3+ 172:sc= -0.147 (180deg=-0.256) USER MOD Set 2.2: A 2 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -7.88! C(o=-7.9!,f=-3.4!) USER MOD Single : A 7 GLN : amide:sc= -2.76! C(o=-2.8!,f=-3.4!) USER MOD Single : A 17 HIS : no HD1:sc= -5.08! C(o=-5.1!,f=-10!) USER MOD Single : A 19 SER OG : rot 180:sc= -0.624! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= -0.492 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1 K(o=-1,f=-0.042) USER MOD Single : A 27 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.071) USER MOD Single : A 32 THR OG1 : rot -76:sc= -2.31! USER MOD Single : A 35 GLN : amide:sc= -0.0873 X(o=-0.087,f=0.3) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0675 USER MOD Single : A 41 HIS : no HD1:sc= -11.9! C(o=-12!,f=-14!) USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0894) USER MOD Single : A 47 SER OG : rot 173:sc= -0.0486 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -3.66! C(o=-3.7!,f=-15!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 14:sc= 0.892 USER MOD Single : A 64 LYS NZ :NH3+ 154:sc= -0.279 (180deg=-1.7!) USER MOD Single : A 67 SER OG : rot 57:sc= 0.329 USER MOD Single : A 68 GLN : amide:sc= -0.745 K(o=-0.74,f=-3.3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 100:sc= -1.13! USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 84 ASN : amide:sc= -0.235 K(o=-0.23,f=-3.4!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 154:sc= -3.14! (180deg=-4.22!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -8.02! C(o=-8!,f=-7.9!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= -1.37! USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.094) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.922 -14.376 6.192 1.00 0.00 N ATOM 2 CA MET A 1 -16.180 -13.084 6.195 1.00 0.00 C ATOM 3 C MET A 1 -17.169 -11.931 6.330 1.00 0.00 C ATOM 4 O MET A 1 -16.809 -10.769 6.140 1.00 0.00 O ATOM 5 CB MET A 1 -15.393 -12.949 4.890 1.00 0.00 C ATOM 6 CG MET A 1 -14.344 -11.846 5.036 1.00 0.00 C ATOM 7 SD MET A 1 -13.020 -12.110 3.830 1.00 0.00 S ATOM 8 CE MET A 1 -11.680 -12.370 5.018 1.00 0.00 C ATOM 0 H1 MET A 1 -16.267 -15.152 5.965 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.340 -14.539 7.131 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.678 -14.341 5.478 1.00 0.00 H new ATOM 0 HA MET A 1 -15.487 -13.059 7.036 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.909 -13.895 4.646 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.069 -12.715 4.068 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.803 -10.870 4.880 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.936 -11.849 6.047 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.749 -12.555 4.482 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.570 -11.483 5.642 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.913 -13.229 5.647 1.00 0.00 H new ATOM 18 N THR A 2 -18.416 -12.258 6.658 1.00 0.00 N ATOM 19 CA THR A 2 -19.446 -11.237 6.814 1.00 0.00 C ATOM 20 C THR A 2 -19.624 -10.873 8.284 1.00 0.00 C ATOM 21 O THR A 2 -20.250 -11.612 9.045 1.00 0.00 O ATOM 22 CB THR A 2 -20.775 -11.745 6.245 1.00 0.00 C ATOM 23 OG1 THR A 2 -20.648 -13.117 5.899 1.00 0.00 O ATOM 24 CG2 THR A 2 -21.146 -10.936 5.000 1.00 0.00 C ATOM 0 H THR A 2 -18.735 -13.213 6.820 1.00 0.00 H new ATOM 0 HA THR A 2 -19.134 -10.347 6.268 1.00 0.00 H new ATOM 0 HB THR A 2 -21.557 -11.629 6.996 1.00 0.00 H new ATOM 0 HG1 THR A 2 -21.498 -13.443 5.537 1.00 0.00 H new ATOM 0 HG21 THR A 2 -22.092 -11.300 4.598 1.00 0.00 H new ATOM 0 HG22 THR A 2 -21.246 -9.884 5.266 1.00 0.00 H new ATOM 0 HG23 THR A 2 -20.365 -11.047 4.248 1.00 0.00 H new ATOM 32 N ALA A 3 -19.072 -9.728 8.676 1.00 0.00 N ATOM 33 CA ALA A 3 -19.177 -9.269 10.055 1.00 0.00 C ATOM 34 C ALA A 3 -19.983 -7.976 10.122 1.00 0.00 C ATOM 35 O ALA A 3 -20.525 -7.521 9.117 1.00 0.00 O ATOM 36 CB ALA A 3 -17.781 -9.038 10.638 1.00 0.00 C ATOM 0 H ALA A 3 -18.550 -9.104 8.060 1.00 0.00 H new ATOM 0 HA ALA A 3 -19.687 -10.035 10.639 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -17.869 -8.695 11.669 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -17.217 -9.971 10.613 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -17.261 -8.284 10.048 1.00 0.00 H new ATOM 42 N GLU A 4 -20.057 -7.389 11.310 1.00 0.00 N ATOM 43 CA GLU A 4 -20.798 -6.152 11.489 1.00 0.00 C ATOM 44 C GLU A 4 -22.297 -6.402 11.350 1.00 0.00 C ATOM 45 O GLU A 4 -22.997 -6.588 12.345 1.00 0.00 O ATOM 46 CB GLU A 4 -20.327 -5.123 10.466 1.00 0.00 C ATOM 47 CG GLU A 4 -20.219 -3.750 11.131 1.00 0.00 C ATOM 48 CD GLU A 4 -18.925 -3.662 11.934 1.00 0.00 C ATOM 49 OE1 GLU A 4 -18.317 -4.697 12.154 1.00 0.00 O ATOM 50 OE2 GLU A 4 -18.562 -2.562 12.317 1.00 0.00 O ATOM 0 H GLU A 4 -19.616 -7.748 12.157 1.00 0.00 H new ATOM 0 HA GLU A 4 -20.613 -5.766 12.491 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -19.360 -5.417 10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -21.026 -5.080 9.631 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -20.241 -2.967 10.373 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -21.075 -3.585 11.785 1.00 0.00 H new ATOM 57 N LEU A 5 -22.781 -6.414 10.117 1.00 0.00 N ATOM 58 CA LEU A 5 -24.202 -6.654 9.874 1.00 0.00 C ATOM 59 C LEU A 5 -24.512 -8.147 9.944 1.00 0.00 C ATOM 60 O LEU A 5 -23.644 -8.953 10.277 1.00 0.00 O ATOM 61 CB LEU A 5 -24.635 -6.099 8.508 1.00 0.00 C ATOM 62 CG LEU A 5 -23.614 -6.453 7.414 1.00 0.00 C ATOM 63 CD1 LEU A 5 -22.417 -5.505 7.487 1.00 0.00 C ATOM 64 CD2 LEU A 5 -23.132 -7.898 7.585 1.00 0.00 C ATOM 0 H LEU A 5 -22.222 -6.263 9.277 1.00 0.00 H new ATOM 0 HA LEU A 5 -24.762 -6.134 10.651 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -25.612 -6.503 8.242 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -24.744 -5.016 8.571 1.00 0.00 H new ATOM 0 HG LEU A 5 -24.098 -6.350 6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -21.700 -5.764 6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -22.756 -4.479 7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -21.941 -5.595 8.463 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -22.410 -8.135 6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -22.661 -8.011 8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -23.982 -8.576 7.511 1.00 0.00 H new ATOM 76 N GLN A 6 -25.749 -8.511 9.626 1.00 0.00 N ATOM 77 CA GLN A 6 -26.146 -9.913 9.659 1.00 0.00 C ATOM 78 C GLN A 6 -27.017 -10.254 8.455 1.00 0.00 C ATOM 79 O GLN A 6 -27.364 -9.381 7.657 1.00 0.00 O ATOM 80 CB GLN A 6 -26.921 -10.211 10.946 1.00 0.00 C ATOM 81 CG GLN A 6 -26.192 -11.291 11.749 1.00 0.00 C ATOM 82 CD GLN A 6 -24.869 -10.746 12.272 1.00 0.00 C ATOM 83 OE1 GLN A 6 -23.992 -11.514 12.665 1.00 0.00 O ATOM 84 NE2 GLN A 6 -24.669 -9.455 12.298 1.00 0.00 N ATOM 0 H GLN A 6 -26.486 -7.864 9.346 1.00 0.00 H new ATOM 0 HA GLN A 6 -25.243 -10.523 9.628 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -27.017 -9.304 11.542 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -27.931 -10.543 10.705 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -26.814 -11.619 12.582 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -26.013 -12.164 11.121 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -25.397 -8.819 11.972 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -23.785 -9.083 12.644 1.00 0.00 H new ATOM 93 N GLN A 7 -27.369 -11.529 8.338 1.00 0.00 N ATOM 94 CA GLN A 7 -28.205 -11.985 7.236 1.00 0.00 C ATOM 95 C GLN A 7 -29.647 -12.142 7.693 1.00 0.00 C ATOM 96 O GLN A 7 -30.454 -11.217 7.589 1.00 0.00 O ATOM 97 CB GLN A 7 -27.690 -13.327 6.708 1.00 0.00 C ATOM 98 CG GLN A 7 -26.458 -13.093 5.831 1.00 0.00 C ATOM 99 CD GLN A 7 -25.500 -12.132 6.524 1.00 0.00 C ATOM 100 OE1 GLN A 7 -25.424 -10.958 6.160 1.00 0.00 O ATOM 101 NE2 GLN A 7 -24.760 -12.562 7.508 1.00 0.00 N ATOM 0 H GLN A 7 -27.090 -12.262 8.990 1.00 0.00 H new ATOM 0 HA GLN A 7 -28.163 -11.241 6.441 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -27.437 -13.984 7.540 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -28.469 -13.826 6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -25.956 -14.040 5.634 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -26.760 -12.686 4.866 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -24.825 -13.535 7.808 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -24.116 -11.925 7.978 1.00 0.00 H new ATOM 110 N ASP A 8 -29.956 -13.322 8.196 1.00 0.00 N ATOM 111 CA ASP A 8 -31.301 -13.621 8.675 1.00 0.00 C ATOM 112 C ASP A 8 -31.853 -12.462 9.493 1.00 0.00 C ATOM 113 O ASP A 8 -33.064 -12.323 9.657 1.00 0.00 O ATOM 114 CB ASP A 8 -31.279 -14.885 9.532 1.00 0.00 C ATOM 115 CG ASP A 8 -32.632 -15.587 9.461 1.00 0.00 C ATOM 116 OD1 ASP A 8 -33.557 -14.993 8.933 1.00 0.00 O ATOM 117 OD2 ASP A 8 -32.722 -16.707 9.937 1.00 0.00 O ATOM 0 H ASP A 8 -29.295 -14.094 8.286 1.00 0.00 H new ATOM 0 HA ASP A 8 -31.946 -13.777 7.810 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -30.493 -15.556 9.185 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -31.046 -14.629 10.566 1.00 0.00 H new ATOM 122 N ASP A 9 -30.954 -11.638 10.002 1.00 0.00 N ATOM 123 CA ASP A 9 -31.354 -10.487 10.807 1.00 0.00 C ATOM 124 C ASP A 9 -31.551 -9.260 9.930 1.00 0.00 C ATOM 125 O ASP A 9 -32.347 -8.375 10.243 1.00 0.00 O ATOM 126 CB ASP A 9 -30.299 -10.190 11.872 1.00 0.00 C ATOM 127 CG ASP A 9 -30.971 -9.678 13.141 1.00 0.00 C ATOM 128 OD1 ASP A 9 -31.478 -10.495 13.890 1.00 0.00 O ATOM 129 OD2 ASP A 9 -30.971 -8.474 13.343 1.00 0.00 O ATOM 0 H ASP A 9 -29.947 -11.739 9.876 1.00 0.00 H new ATOM 0 HA ASP A 9 -32.299 -10.728 11.295 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -29.728 -11.092 12.091 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -29.593 -9.448 11.500 1.00 0.00 H new ATOM 134 N ALA A 10 -30.817 -9.219 8.832 1.00 0.00 N ATOM 135 CA ALA A 10 -30.906 -8.100 7.903 1.00 0.00 C ATOM 136 C ALA A 10 -31.548 -8.546 6.595 1.00 0.00 C ATOM 137 O ALA A 10 -31.150 -9.552 6.008 1.00 0.00 O ATOM 138 CB ALA A 10 -29.513 -7.538 7.624 1.00 0.00 C ATOM 0 H ALA A 10 -30.153 -9.944 8.560 1.00 0.00 H new ATOM 0 HA ALA A 10 -31.524 -7.324 8.355 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -29.590 -6.702 6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -29.066 -7.194 8.557 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -28.887 -8.316 7.187 1.00 0.00 H new ATOM 144 N ALA A 11 -32.543 -7.791 6.144 1.00 0.00 N ATOM 145 CA ALA A 11 -33.232 -8.122 4.905 1.00 0.00 C ATOM 146 C ALA A 11 -33.032 -7.022 3.868 1.00 0.00 C ATOM 147 O ALA A 11 -32.396 -6.004 4.143 1.00 0.00 O ATOM 148 CB ALA A 11 -34.727 -8.311 5.173 1.00 0.00 C ATOM 0 H ALA A 11 -32.887 -6.953 6.613 1.00 0.00 H new ATOM 0 HA ALA A 11 -32.813 -9.050 4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -35.235 -8.558 4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -34.869 -9.120 5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -35.143 -7.389 5.580 1.00 0.00 H new ATOM 154 N GLY A 12 -33.579 -7.235 2.676 1.00 0.00 N ATOM 155 CA GLY A 12 -33.453 -6.255 1.603 1.00 0.00 C ATOM 156 C GLY A 12 -32.011 -5.778 1.468 1.00 0.00 C ATOM 157 O GLY A 12 -31.124 -6.549 1.102 1.00 0.00 O ATOM 0 H GLY A 12 -34.110 -8.070 2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -33.784 -6.695 0.662 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -34.104 -5.404 1.804 1.00 0.00 H new ATOM 161 N ALA A 13 -31.787 -4.503 1.768 1.00 0.00 N ATOM 162 CA ALA A 13 -30.448 -3.932 1.680 1.00 0.00 C ATOM 163 C ALA A 13 -30.108 -3.171 2.959 1.00 0.00 C ATOM 164 O ALA A 13 -30.965 -2.972 3.820 1.00 0.00 O ATOM 165 CB ALA A 13 -30.364 -2.985 0.480 1.00 0.00 C ATOM 0 H ALA A 13 -32.509 -3.850 2.072 1.00 0.00 H new ATOM 0 HA ALA A 13 -29.732 -4.743 1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -29.361 -2.562 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -30.580 -3.537 -0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -31.090 -2.181 0.599 1.00 0.00 H new ATOM 171 N ALA A 14 -28.854 -2.749 3.077 1.00 0.00 N ATOM 172 CA ALA A 14 -28.417 -2.012 4.256 1.00 0.00 C ATOM 173 C ALA A 14 -28.779 -0.536 4.129 1.00 0.00 C ATOM 174 O ALA A 14 -29.014 -0.036 3.029 1.00 0.00 O ATOM 175 CB ALA A 14 -26.905 -2.154 4.436 1.00 0.00 C ATOM 0 H ALA A 14 -28.128 -2.903 2.377 1.00 0.00 H new ATOM 0 HA ALA A 14 -28.925 -2.427 5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -26.590 -1.599 5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -26.650 -3.207 4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -26.395 -1.757 3.558 1.00 0.00 H new ATOM 181 N ASP A 15 -28.819 0.156 5.261 1.00 0.00 N ATOM 182 CA ASP A 15 -29.150 1.576 5.266 1.00 0.00 C ATOM 183 C ASP A 15 -27.920 2.408 4.922 1.00 0.00 C ATOM 184 O ASP A 15 -26.909 1.875 4.465 1.00 0.00 O ATOM 185 CB ASP A 15 -29.674 1.980 6.645 1.00 0.00 C ATOM 186 CG ASP A 15 -30.165 0.749 7.397 1.00 0.00 C ATOM 187 OD1 ASP A 15 -31.280 0.326 7.136 1.00 0.00 O ATOM 188 OD2 ASP A 15 -29.421 0.246 8.221 1.00 0.00 O ATOM 0 H ASP A 15 -28.628 -0.239 6.182 1.00 0.00 H new ATOM 0 HA ASP A 15 -29.920 1.759 4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -28.885 2.473 7.213 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -30.486 2.699 6.538 1.00 0.00 H new ATOM 193 N GLY A 16 -28.013 3.713 5.146 1.00 0.00 N ATOM 194 CA GLY A 16 -26.898 4.608 4.856 1.00 0.00 C ATOM 195 C GLY A 16 -26.234 5.080 6.144 1.00 0.00 C ATOM 196 O GLY A 16 -26.723 5.997 6.804 1.00 0.00 O ATOM 0 H GLY A 16 -28.841 4.173 5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -26.167 4.095 4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -27.254 5.468 4.289 1.00 0.00 H new ATOM 200 N HIS A 17 -25.121 4.449 6.498 1.00 0.00 N ATOM 201 CA HIS A 17 -24.403 4.815 7.712 1.00 0.00 C ATOM 202 C HIS A 17 -24.226 6.328 7.797 1.00 0.00 C ATOM 203 O HIS A 17 -24.227 6.901 8.886 1.00 0.00 O ATOM 204 CB HIS A 17 -23.033 4.134 7.736 1.00 0.00 C ATOM 205 CG HIS A 17 -22.264 4.509 6.499 1.00 0.00 C ATOM 206 ND1 HIS A 17 -22.015 5.827 6.155 1.00 0.00 N ATOM 207 CD2 HIS A 17 -21.680 3.749 5.517 1.00 0.00 C ATOM 208 CE1 HIS A 17 -21.308 5.822 5.009 1.00 0.00 C ATOM 209 NE2 HIS A 17 -21.077 4.579 4.578 1.00 0.00 N ATOM 0 H HIS A 17 -24.699 3.688 5.967 1.00 0.00 H new ATOM 0 HA HIS A 17 -24.987 4.482 8.570 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -22.481 4.436 8.626 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -23.154 3.052 7.788 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -21.687 2.670 5.479 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -20.970 6.713 4.501 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -20.568 4.299 3.740 1.00 0.00 H new ATOM 217 N GLY A 18 -24.077 6.969 6.643 1.00 0.00 N ATOM 218 CA GLY A 18 -23.901 8.416 6.602 1.00 0.00 C ATOM 219 C GLY A 18 -23.728 8.905 5.169 1.00 0.00 C ATOM 220 O GLY A 18 -24.028 8.185 4.217 1.00 0.00 O ATOM 0 H GLY A 18 -24.074 6.514 5.730 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -24.764 8.904 7.055 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -23.030 8.697 7.194 1.00 0.00 H new ATOM 224 N SER A 19 -23.240 10.131 5.023 1.00 0.00 N ATOM 225 CA SER A 19 -23.029 10.706 3.700 1.00 0.00 C ATOM 226 C SER A 19 -21.551 11.017 3.482 1.00 0.00 C ATOM 227 O SER A 19 -20.680 10.239 3.869 1.00 0.00 O ATOM 228 CB SER A 19 -23.846 11.988 3.551 1.00 0.00 C ATOM 229 OG SER A 19 -23.084 13.090 4.023 1.00 0.00 O ATOM 0 H SER A 19 -22.984 10.743 5.798 1.00 0.00 H new ATOM 0 HA SER A 19 -23.352 9.980 2.954 1.00 0.00 H new ATOM 0 HB2 SER A 19 -24.117 12.140 2.506 1.00 0.00 H new ATOM 0 HB3 SER A 19 -24.776 11.907 4.114 1.00 0.00 H new ATOM 0 HG SER A 19 -23.606 13.914 3.927 1.00 0.00 H new ATOM 235 N SER A 20 -21.276 12.162 2.864 1.00 0.00 N ATOM 236 CA SER A 20 -19.898 12.564 2.604 1.00 0.00 C ATOM 237 C SER A 20 -19.800 14.078 2.437 1.00 0.00 C ATOM 238 O SER A 20 -20.644 14.696 1.788 1.00 0.00 O ATOM 239 CB SER A 20 -19.381 11.876 1.339 1.00 0.00 C ATOM 240 OG SER A 20 -17.974 12.056 1.249 1.00 0.00 O ATOM 0 H SER A 20 -21.982 12.822 2.537 1.00 0.00 H new ATOM 0 HA SER A 20 -19.288 12.264 3.456 1.00 0.00 H new ATOM 0 HB2 SER A 20 -19.623 10.813 1.364 1.00 0.00 H new ATOM 0 HB3 SER A 20 -19.870 12.293 0.459 1.00 0.00 H new ATOM 0 HG SER A 20 -17.639 11.615 0.441 1.00 0.00 H new ATOM 246 N CYS A 21 -18.765 14.666 3.026 1.00 0.00 N ATOM 247 CA CYS A 21 -18.563 16.108 2.935 1.00 0.00 C ATOM 248 C CYS A 21 -17.473 16.431 1.917 1.00 0.00 C ATOM 249 O CYS A 21 -16.747 15.542 1.471 1.00 0.00 O ATOM 250 CB CYS A 21 -18.167 16.670 4.301 1.00 0.00 C ATOM 251 SG CYS A 21 -18.495 15.433 5.583 1.00 0.00 S ATOM 0 H CYS A 21 -18.057 14.171 3.568 1.00 0.00 H new ATOM 0 HA CYS A 21 -19.498 16.566 2.612 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.111 16.939 4.303 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -18.729 17.581 4.508 1.00 0.00 H new ATOM 0 HG CYS A 21 -18.156 15.911 6.744 1.00 0.00 H new ATOM 257 N GLN A 22 -17.362 17.705 1.555 1.00 0.00 N ATOM 258 CA GLN A 22 -16.351 18.126 0.590 1.00 0.00 C ATOM 259 C GLN A 22 -14.992 18.263 1.274 1.00 0.00 C ATOM 260 O GLN A 22 -13.948 18.275 0.626 1.00 0.00 O ATOM 261 CB GLN A 22 -16.745 19.464 -0.040 1.00 0.00 C ATOM 262 CG GLN A 22 -18.132 19.345 -0.675 1.00 0.00 C ATOM 263 CD GLN A 22 -18.262 20.327 -1.836 1.00 0.00 C ATOM 264 OE1 GLN A 22 -18.992 21.314 -1.735 1.00 0.00 O ATOM 265 NE2 GLN A 22 -17.595 20.116 -2.938 1.00 0.00 N ATOM 0 H GLN A 22 -17.952 18.457 1.910 1.00 0.00 H new ATOM 0 HA GLN A 22 -16.283 17.369 -0.191 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.747 20.247 0.718 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -16.012 19.752 -0.794 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -18.292 18.327 -1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -18.901 19.547 0.071 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -16.991 19.298 -3.020 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -17.678 20.769 -3.717 1.00 0.00 H new ATOM 274 N MET A 23 -15.022 18.365 2.590 1.00 0.00 N ATOM 275 CA MET A 23 -13.800 18.504 3.369 1.00 0.00 C ATOM 276 C MET A 23 -13.017 17.203 3.370 1.00 0.00 C ATOM 277 O MET A 23 -11.820 17.187 3.651 1.00 0.00 O ATOM 278 CB MET A 23 -14.136 18.903 4.808 1.00 0.00 C ATOM 279 CG MET A 23 -15.329 19.862 4.809 1.00 0.00 C ATOM 280 SD MET A 23 -15.205 20.980 3.390 1.00 0.00 S ATOM 281 CE MET A 23 -15.677 22.500 4.251 1.00 0.00 C ATOM 0 H MET A 23 -15.878 18.354 3.144 1.00 0.00 H new ATOM 0 HA MET A 23 -13.189 19.282 2.912 1.00 0.00 H new ATOM 0 HB2 MET A 23 -14.369 18.016 5.397 1.00 0.00 H new ATOM 0 HB3 MET A 23 -13.274 19.379 5.275 1.00 0.00 H new ATOM 0 HG2 MET A 23 -16.262 19.300 4.762 1.00 0.00 H new ATOM 0 HG3 MET A 23 -15.348 20.435 5.736 1.00 0.00 H new ATOM 0 HE1 MET A 23 -15.666 23.334 3.549 1.00 0.00 H new ATOM 0 HE2 MET A 23 -16.679 22.387 4.666 1.00 0.00 H new ATOM 0 HE3 MET A 23 -14.970 22.696 5.058 1.00 0.00 H new ATOM 291 N LEU A 24 -13.702 16.116 3.049 1.00 0.00 N ATOM 292 CA LEU A 24 -13.062 14.808 3.011 1.00 0.00 C ATOM 293 C LEU A 24 -12.076 14.734 1.864 1.00 0.00 C ATOM 294 O LEU A 24 -10.868 14.640 2.072 1.00 0.00 O ATOM 295 CB LEU A 24 -14.120 13.716 2.832 1.00 0.00 C ATOM 296 CG LEU A 24 -14.613 13.245 4.201 1.00 0.00 C ATOM 297 CD1 LEU A 24 -15.312 14.401 4.918 1.00 0.00 C ATOM 298 CD2 LEU A 24 -15.602 12.091 4.016 1.00 0.00 C ATOM 0 H LEU A 24 -14.694 16.112 2.812 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.531 14.658 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.956 14.099 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.700 12.877 2.278 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.764 12.908 4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.663 14.065 5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.611 15.225 5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -16.161 14.738 4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.954 11.754 4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.450 12.430 3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -15.107 11.266 3.504 1.00 0.00 H new ATOM 310 N LEU A 25 -12.600 14.798 0.658 1.00 0.00 N ATOM 311 CA LEU A 25 -11.765 14.738 -0.525 1.00 0.00 C ATOM 312 C LEU A 25 -10.861 15.961 -0.605 1.00 0.00 C ATOM 313 O LEU A 25 -9.716 15.865 -1.054 1.00 0.00 O ATOM 314 CB LEU A 25 -12.640 14.562 -1.784 1.00 0.00 C ATOM 315 CG LEU A 25 -13.074 15.903 -2.394 1.00 0.00 C ATOM 316 CD1 LEU A 25 -13.734 16.803 -1.345 1.00 0.00 C ATOM 317 CD2 LEU A 25 -11.865 16.616 -2.988 1.00 0.00 C ATOM 0 H LEU A 25 -13.598 14.891 0.470 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.111 13.868 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.087 13.990 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.525 13.980 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.804 15.697 -3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -14.030 17.744 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.615 16.305 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.027 17.001 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.179 17.567 -3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.129 16.798 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.421 15.994 -3.765 1.00 0.00 H new ATOM 329 N ASN A 26 -11.358 17.102 -0.142 1.00 0.00 N ATOM 330 CA ASN A 26 -10.554 18.316 -0.151 1.00 0.00 C ATOM 331 C ASN A 26 -9.359 18.154 0.772 1.00 0.00 C ATOM 332 O ASN A 26 -8.246 18.570 0.452 1.00 0.00 O ATOM 333 CB ASN A 26 -11.399 19.511 0.297 1.00 0.00 C ATOM 334 CG ASN A 26 -10.612 20.805 0.112 1.00 0.00 C ATOM 335 OD1 ASN A 26 -10.663 21.689 0.966 1.00 0.00 O ATOM 336 ND2 ASN A 26 -9.882 20.967 -0.958 1.00 0.00 N ATOM 0 H ASN A 26 -12.298 17.211 0.238 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.199 18.495 -1.166 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -12.322 19.551 -0.281 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -11.683 19.395 1.343 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.352 21.829 -1.088 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -9.842 20.232 -1.664 1.00 0.00 H new ATOM 343 N GLN A 27 -9.604 17.542 1.918 1.00 0.00 N ATOM 344 CA GLN A 27 -8.550 17.324 2.903 1.00 0.00 C ATOM 345 C GLN A 27 -7.481 16.367 2.380 1.00 0.00 C ATOM 346 O GLN A 27 -6.325 16.756 2.226 1.00 0.00 O ATOM 347 CB GLN A 27 -9.146 16.764 4.192 1.00 0.00 C ATOM 348 CG GLN A 27 -9.680 17.911 5.052 1.00 0.00 C ATOM 349 CD GLN A 27 -8.528 18.589 5.787 1.00 0.00 C ATOM 350 OE1 GLN A 27 -8.269 19.773 5.577 1.00 0.00 O ATOM 351 NE2 GLN A 27 -7.817 17.902 6.641 1.00 0.00 N ATOM 0 H GLN A 27 -10.520 17.187 2.192 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.079 18.287 3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.950 16.066 3.959 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.388 16.206 4.742 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.200 18.636 4.425 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.407 17.531 5.770 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.035 16.920 6.813 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.044 18.347 7.136 1.00 0.00 H new ATOM 360 N LEU A 28 -7.854 15.114 2.114 1.00 0.00 N ATOM 361 CA LEU A 28 -6.868 14.150 1.623 1.00 0.00 C ATOM 362 C LEU A 28 -6.113 14.721 0.428 1.00 0.00 C ATOM 363 O LEU A 28 -4.884 14.672 0.381 1.00 0.00 O ATOM 364 CB LEU A 28 -7.514 12.812 1.224 1.00 0.00 C ATOM 365 CG LEU A 28 -9.013 12.978 0.969 1.00 0.00 C ATOM 366 CD1 LEU A 28 -9.425 12.151 -0.251 1.00 0.00 C ATOM 367 CD2 LEU A 28 -9.783 12.485 2.199 1.00 0.00 C ATOM 0 H LEU A 28 -8.801 14.751 2.225 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.175 13.961 2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.030 12.424 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.356 12.078 2.014 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.238 14.028 0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.494 12.272 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.871 12.492 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.205 11.099 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.853 12.599 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.553 11.434 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.491 13.071 3.070 1.00 0.00 H new ATOM 379 N ARG A 29 -6.850 15.260 -0.539 1.00 0.00 N ATOM 380 CA ARG A 29 -6.219 15.828 -1.725 1.00 0.00 C ATOM 381 C ARG A 29 -5.423 17.087 -1.377 1.00 0.00 C ATOM 382 O ARG A 29 -4.516 17.473 -2.111 1.00 0.00 O ATOM 383 CB ARG A 29 -7.283 16.148 -2.785 1.00 0.00 C ATOM 384 CG ARG A 29 -7.648 17.635 -2.740 1.00 0.00 C ATOM 385 CD ARG A 29 -8.810 17.901 -3.701 1.00 0.00 C ATOM 386 NE ARG A 29 -8.318 18.507 -4.933 1.00 0.00 N ATOM 387 CZ ARG A 29 -8.906 18.263 -6.101 1.00 0.00 C ATOM 388 NH1 ARG A 29 -9.940 17.469 -6.159 1.00 0.00 N ATOM 389 NH2 ARG A 29 -8.448 18.820 -7.191 1.00 0.00 N ATOM 0 H ARG A 29 -7.868 15.315 -0.526 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.524 15.091 -2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.909 15.888 -3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.173 15.543 -2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.927 17.922 -1.726 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.786 18.241 -3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.325 16.967 -3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.538 18.560 -3.229 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.510 19.128 -4.898 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.298 17.035 -5.308 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.390 17.283 -7.055 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.640 19.441 -7.146 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.898 18.633 -8.087 1.00 0.00 H new ATOM 403 N GLU A 30 -5.762 17.728 -0.262 1.00 0.00 N ATOM 404 CA GLU A 30 -5.056 18.943 0.145 1.00 0.00 C ATOM 405 C GLU A 30 -3.803 18.604 0.948 1.00 0.00 C ATOM 406 O GLU A 30 -2.888 19.419 1.063 1.00 0.00 O ATOM 407 CB GLU A 30 -5.972 19.831 0.991 1.00 0.00 C ATOM 408 CG GLU A 30 -6.905 20.624 0.072 1.00 0.00 C ATOM 409 CD GLU A 30 -6.218 21.909 -0.379 1.00 0.00 C ATOM 410 OE1 GLU A 30 -5.830 22.683 0.480 1.00 0.00 O ATOM 411 OE2 GLU A 30 -6.090 22.100 -1.577 1.00 0.00 O ATOM 0 H GLU A 30 -6.508 17.434 0.368 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.762 19.477 -0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.555 19.219 1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.376 20.513 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.174 20.021 -0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.831 20.861 0.596 1.00 0.00 H new ATOM 418 N ILE A 31 -3.772 17.401 1.508 1.00 0.00 N ATOM 419 CA ILE A 31 -2.631 16.969 2.308 1.00 0.00 C ATOM 420 C ILE A 31 -1.646 16.190 1.467 1.00 0.00 C ATOM 421 O ILE A 31 -0.431 16.298 1.631 1.00 0.00 O ATOM 422 CB ILE A 31 -3.113 16.073 3.442 1.00 0.00 C ATOM 423 CG1 ILE A 31 -4.054 16.866 4.335 1.00 0.00 C ATOM 424 CG2 ILE A 31 -1.911 15.592 4.252 1.00 0.00 C ATOM 425 CD1 ILE A 31 -4.710 15.932 5.353 1.00 0.00 C ATOM 0 H ILE A 31 -4.518 16.711 1.424 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.139 17.857 2.705 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.640 15.209 3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.504 17.653 4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.818 17.355 3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.253 14.951 5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.237 15.030 3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.384 16.452 4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.383 16.504 5.991 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.275 15.161 4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.940 15.464 5.966 1.00 0.00 H new ATOM 437 N THR A 32 -2.195 15.387 0.589 1.00 0.00 N ATOM 438 CA THR A 32 -1.393 14.549 -0.278 1.00 0.00 C ATOM 439 C THR A 32 -1.160 15.227 -1.620 1.00 0.00 C ATOM 440 O THR A 32 -0.096 15.083 -2.221 1.00 0.00 O ATOM 441 CB THR A 32 -2.110 13.219 -0.481 1.00 0.00 C ATOM 442 OG1 THR A 32 -3.170 13.400 -1.408 1.00 0.00 O ATOM 443 CG2 THR A 32 -2.676 12.736 0.855 1.00 0.00 C ATOM 0 H THR A 32 -3.202 15.294 0.453 1.00 0.00 H new ATOM 0 HA THR A 32 -0.422 14.380 0.187 1.00 0.00 H new ATOM 0 HB THR A 32 -1.409 12.477 -0.865 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.918 13.853 -0.965 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.189 11.785 0.710 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.863 12.605 1.569 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.381 13.473 1.240 1.00 0.00 H new ATOM 451 N GLY A 33 -2.160 15.962 -2.092 1.00 0.00 N ATOM 452 CA GLY A 33 -2.034 16.647 -3.375 1.00 0.00 C ATOM 453 C GLY A 33 -2.103 15.641 -4.511 1.00 0.00 C ATOM 454 O GLY A 33 -1.408 15.766 -5.519 1.00 0.00 O ATOM 0 H GLY A 33 -3.052 16.099 -1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.830 17.384 -3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.089 17.189 -3.416 1.00 0.00 H new ATOM 458 N ILE A 34 -2.933 14.627 -4.318 1.00 0.00 N ATOM 459 CA ILE A 34 -3.084 13.571 -5.305 1.00 0.00 C ATOM 460 C ILE A 34 -4.244 13.861 -6.251 1.00 0.00 C ATOM 461 O ILE A 34 -5.207 14.535 -5.886 1.00 0.00 O ATOM 462 CB ILE A 34 -3.328 12.249 -4.584 1.00 0.00 C ATOM 463 CG1 ILE A 34 -2.252 12.071 -3.493 1.00 0.00 C ATOM 464 CG2 ILE A 34 -3.310 11.103 -5.599 1.00 0.00 C ATOM 465 CD1 ILE A 34 -1.137 11.137 -3.951 1.00 0.00 C ATOM 0 H ILE A 34 -3.512 14.514 -3.486 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.171 13.515 -5.899 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.306 12.246 -4.102 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.831 13.043 -3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.712 11.673 -2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.484 10.158 -5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.093 11.262 -6.341 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.340 11.072 -6.096 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.398 11.036 -3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.555 10.158 -4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.660 11.549 -4.840 1.00 0.00 H new ATOM 477 N GLN A 35 -4.141 13.338 -7.467 1.00 0.00 N ATOM 478 CA GLN A 35 -5.180 13.529 -8.471 1.00 0.00 C ATOM 479 C GLN A 35 -5.730 12.180 -8.916 1.00 0.00 C ATOM 480 O GLN A 35 -6.265 12.050 -10.017 1.00 0.00 O ATOM 481 CB GLN A 35 -4.613 14.267 -9.686 1.00 0.00 C ATOM 482 CG GLN A 35 -3.643 15.355 -9.222 1.00 0.00 C ATOM 483 CD GLN A 35 -4.011 16.688 -9.865 1.00 0.00 C ATOM 484 OE1 GLN A 35 -4.273 16.748 -11.066 1.00 0.00 O ATOM 485 NE2 GLN A 35 -4.046 17.766 -9.133 1.00 0.00 N ATOM 0 H GLN A 35 -3.348 12.778 -7.781 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.981 14.122 -8.030 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.100 13.565 -10.343 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.423 14.711 -10.264 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.675 15.444 -8.136 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.622 15.082 -9.489 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.829 17.714 -8.138 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.291 18.662 -9.555 1.00 0.00 H new ATOM 494 N ASP A 36 -5.586 11.177 -8.059 1.00 0.00 N ATOM 495 CA ASP A 36 -6.061 9.843 -8.382 1.00 0.00 C ATOM 496 C ASP A 36 -7.099 9.386 -7.366 1.00 0.00 C ATOM 497 O ASP A 36 -6.819 8.541 -6.515 1.00 0.00 O ATOM 498 CB ASP A 36 -4.887 8.861 -8.394 1.00 0.00 C ATOM 499 CG ASP A 36 -5.223 7.662 -9.274 1.00 0.00 C ATOM 500 OD1 ASP A 36 -5.504 7.870 -10.444 1.00 0.00 O ATOM 501 OD2 ASP A 36 -5.193 6.553 -8.767 1.00 0.00 O ATOM 0 H ASP A 36 -5.147 11.263 -7.142 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.523 9.869 -9.369 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.991 9.357 -8.766 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.669 8.529 -7.379 1.00 0.00 H new ATOM 506 N PRO A 37 -8.287 9.922 -7.444 1.00 0.00 N ATOM 507 CA PRO A 37 -9.392 9.560 -6.520 1.00 0.00 C ATOM 508 C PRO A 37 -9.376 8.077 -6.178 1.00 0.00 C ATOM 509 O PRO A 37 -9.950 7.638 -5.180 1.00 0.00 O ATOM 510 CB PRO A 37 -10.626 9.918 -7.328 1.00 0.00 C ATOM 511 CG PRO A 37 -10.216 11.091 -8.157 1.00 0.00 C ATOM 512 CD PRO A 37 -8.715 10.934 -8.425 1.00 0.00 C ATOM 0 HA PRO A 37 -9.332 10.071 -5.559 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.944 9.084 -7.954 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.465 10.167 -6.678 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.776 11.119 -9.092 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.421 12.025 -7.634 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.523 10.607 -9.447 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.183 11.875 -8.287 1.00 0.00 H new ATOM 520 N SER A 38 -8.714 7.324 -7.037 1.00 0.00 N ATOM 521 CA SER A 38 -8.605 5.876 -6.873 1.00 0.00 C ATOM 522 C SER A 38 -7.713 5.511 -5.687 1.00 0.00 C ATOM 523 O SER A 38 -8.131 4.772 -4.793 1.00 0.00 O ATOM 524 CB SER A 38 -8.032 5.256 -8.149 1.00 0.00 C ATOM 525 OG SER A 38 -8.389 6.061 -9.266 1.00 0.00 O ATOM 0 H SER A 38 -8.239 7.689 -7.862 1.00 0.00 H new ATOM 0 HA SER A 38 -9.604 5.484 -6.681 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.947 5.179 -8.074 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.415 4.244 -8.279 1.00 0.00 H new ATOM 0 HG SER A 38 -8.021 5.667 -10.084 1.00 0.00 H new ATOM 531 N PHE A 39 -6.488 6.036 -5.666 1.00 0.00 N ATOM 532 CA PHE A 39 -5.583 5.740 -4.564 1.00 0.00 C ATOM 533 C PHE A 39 -6.034 6.524 -3.324 1.00 0.00 C ATOM 534 O PHE A 39 -5.813 6.097 -2.182 1.00 0.00 O ATOM 535 CB PHE A 39 -4.124 6.059 -4.974 1.00 0.00 C ATOM 536 CG PHE A 39 -3.520 7.092 -4.063 1.00 0.00 C ATOM 537 CD1 PHE A 39 -4.145 8.319 -3.926 1.00 0.00 C ATOM 538 CD2 PHE A 39 -2.346 6.818 -3.349 1.00 0.00 C ATOM 539 CE1 PHE A 39 -3.617 9.288 -3.078 1.00 0.00 C ATOM 540 CE2 PHE A 39 -1.805 7.791 -2.502 1.00 0.00 C ATOM 541 CZ PHE A 39 -2.445 9.030 -2.366 1.00 0.00 C ATOM 0 H PHE A 39 -6.109 6.654 -6.383 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.614 4.679 -4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.527 5.148 -4.943 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.102 6.419 -6.003 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.048 8.526 -4.481 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.860 5.859 -3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.115 10.240 -2.971 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.897 7.588 -1.954 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.032 9.784 -1.712 1.00 0.00 H new ATOM 551 N LEU A 40 -6.712 7.654 -3.560 1.00 0.00 N ATOM 552 CA LEU A 40 -7.227 8.465 -2.464 1.00 0.00 C ATOM 553 C LEU A 40 -8.249 7.638 -1.701 1.00 0.00 C ATOM 554 O LEU A 40 -8.223 7.561 -0.472 1.00 0.00 O ATOM 555 CB LEU A 40 -7.909 9.737 -2.987 1.00 0.00 C ATOM 556 CG LEU A 40 -6.866 10.738 -3.508 1.00 0.00 C ATOM 557 CD1 LEU A 40 -7.463 11.583 -4.632 1.00 0.00 C ATOM 558 CD2 LEU A 40 -6.412 11.658 -2.371 1.00 0.00 C ATOM 0 H LEU A 40 -6.912 8.020 -4.491 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.397 8.761 -1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.605 9.480 -3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.494 10.196 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.010 10.182 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.715 12.289 -4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.774 10.933 -5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.327 12.131 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.673 12.365 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.270 12.205 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.969 11.060 -1.574 1.00 0.00 H new ATOM 570 N HIS A 41 -9.143 7.004 -2.460 1.00 0.00 N ATOM 571 CA HIS A 41 -10.174 6.159 -1.878 1.00 0.00 C ATOM 572 C HIS A 41 -9.537 4.924 -1.253 1.00 0.00 C ATOM 573 O HIS A 41 -9.977 4.446 -0.207 1.00 0.00 O ATOM 574 CB HIS A 41 -11.181 5.740 -2.955 1.00 0.00 C ATOM 575 CG HIS A 41 -10.751 4.440 -3.581 1.00 0.00 C ATOM 576 ND1 HIS A 41 -10.401 4.344 -4.918 1.00 0.00 N ATOM 577 CD2 HIS A 41 -10.617 3.174 -3.066 1.00 0.00 C ATOM 578 CE1 HIS A 41 -10.077 3.062 -5.161 1.00 0.00 C ATOM 579 NE2 HIS A 41 -10.191 2.305 -4.066 1.00 0.00 N ATOM 0 H HIS A 41 -9.170 7.062 -3.478 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.699 6.720 -1.105 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.173 5.632 -2.516 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.254 6.515 -3.718 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -10.812 2.895 -2.041 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -9.763 2.689 -6.125 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -10.006 1.306 -3.981 1.00 0.00 H new ATOM 587 N GLU A 42 -8.488 4.419 -1.898 1.00 0.00 N ATOM 588 CA GLU A 42 -7.795 3.248 -1.387 1.00 0.00 C ATOM 589 C GLU A 42 -7.426 3.471 0.069 1.00 0.00 C ATOM 590 O GLU A 42 -7.686 2.627 0.930 1.00 0.00 O ATOM 591 CB GLU A 42 -6.526 2.988 -2.202 1.00 0.00 C ATOM 592 CG GLU A 42 -5.944 1.628 -1.817 1.00 0.00 C ATOM 593 CD GLU A 42 -5.342 0.952 -3.043 1.00 0.00 C ATOM 594 OE1 GLU A 42 -6.067 0.763 -4.006 1.00 0.00 O ATOM 595 OE2 GLU A 42 -4.165 0.635 -3.002 1.00 0.00 O ATOM 0 H GLU A 42 -8.106 4.799 -2.764 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.453 2.383 -1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.754 3.010 -3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.794 3.774 -2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.180 1.754 -1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.724 0.997 -1.390 1.00 0.00 H new ATOM 602 N ALA A 43 -6.824 4.622 0.340 1.00 0.00 N ATOM 603 CA ALA A 43 -6.428 4.955 1.699 1.00 0.00 C ATOM 604 C ALA A 43 -7.652 5.209 2.565 1.00 0.00 C ATOM 605 O ALA A 43 -7.842 4.566 3.595 1.00 0.00 O ATOM 606 CB ALA A 43 -5.549 6.197 1.688 1.00 0.00 C ATOM 0 H ALA A 43 -6.602 5.333 -0.357 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.871 4.115 2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.254 6.443 2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.658 6.007 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.104 7.032 1.259 1.00 0.00 H new ATOM 612 N LEU A 44 -8.479 6.153 2.141 1.00 0.00 N ATOM 613 CA LEU A 44 -9.684 6.488 2.887 1.00 0.00 C ATOM 614 C LEU A 44 -10.396 5.206 3.305 1.00 0.00 C ATOM 615 O LEU A 44 -11.129 5.181 4.293 1.00 0.00 O ATOM 616 CB LEU A 44 -10.619 7.341 2.020 1.00 0.00 C ATOM 617 CG LEU A 44 -10.359 8.838 2.244 1.00 0.00 C ATOM 618 CD1 LEU A 44 -10.727 9.224 3.676 1.00 0.00 C ATOM 619 CD2 LEU A 44 -8.880 9.162 1.992 1.00 0.00 C ATOM 0 H LEU A 44 -8.340 6.698 1.290 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.409 7.057 3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.471 7.095 0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.657 7.108 2.259 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.974 9.406 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.539 10.287 3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.782 9.014 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.122 8.647 4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.708 10.226 2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.259 8.586 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.621 8.905 0.965 1.00 0.00 H new ATOM 631 N LYS A 45 -10.170 4.142 2.537 1.00 0.00 N ATOM 632 CA LYS A 45 -10.789 2.853 2.824 1.00 0.00 C ATOM 633 C LYS A 45 -9.990 2.072 3.867 1.00 0.00 C ATOM 634 O LYS A 45 -10.553 1.562 4.836 1.00 0.00 O ATOM 635 CB LYS A 45 -10.885 2.024 1.539 1.00 0.00 C ATOM 636 CG LYS A 45 -12.337 1.987 1.058 1.00 0.00 C ATOM 637 CD LYS A 45 -12.733 3.364 0.523 1.00 0.00 C ATOM 638 CE LYS A 45 -14.149 3.303 -0.054 1.00 0.00 C ATOM 639 NZ LYS A 45 -14.101 3.576 -1.518 1.00 0.00 N ATOM 0 H LYS A 45 -9.566 4.148 1.715 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.786 3.043 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.247 2.455 0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.526 1.011 1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.454 1.235 0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.996 1.701 1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.687 4.103 1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.029 3.683 -0.246 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.586 2.321 0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.787 4.034 0.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.029 3.370 -1.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.863 4.576 -1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.378 2.973 -1.960 1.00 0.00 H new ATOM 653 N ALA A 46 -8.678 1.967 3.658 1.00 0.00 N ATOM 654 CA ALA A 46 -7.826 1.229 4.582 1.00 0.00 C ATOM 655 C ALA A 46 -7.809 1.891 5.956 1.00 0.00 C ATOM 656 O ALA A 46 -7.863 1.213 6.982 1.00 0.00 O ATOM 657 CB ALA A 46 -6.403 1.152 4.028 1.00 0.00 C ATOM 0 H ALA A 46 -8.188 2.380 2.864 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.230 0.222 4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.771 0.599 4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.415 0.642 3.065 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.007 2.160 3.901 1.00 0.00 H new ATOM 663 N SER A 47 -7.729 3.216 5.969 1.00 0.00 N ATOM 664 CA SER A 47 -7.702 3.958 7.223 1.00 0.00 C ATOM 665 C SER A 47 -9.045 3.857 7.942 1.00 0.00 C ATOM 666 O SER A 47 -9.252 4.484 8.980 1.00 0.00 O ATOM 667 CB SER A 47 -7.372 5.425 6.952 1.00 0.00 C ATOM 668 OG SER A 47 -8.568 6.127 6.639 1.00 0.00 O ATOM 0 H SER A 47 -7.682 3.796 5.131 1.00 0.00 H new ATOM 0 HA SER A 47 -6.933 3.524 7.862 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.894 5.869 7.825 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.664 5.504 6.127 1.00 0.00 H new ATOM 0 HG SER A 47 -8.377 7.086 6.574 1.00 0.00 H new ATOM 674 N ASN A 48 -9.953 3.061 7.383 1.00 0.00 N ATOM 675 CA ASN A 48 -11.272 2.882 7.981 1.00 0.00 C ATOM 676 C ASN A 48 -11.975 4.226 8.149 1.00 0.00 C ATOM 677 O ASN A 48 -12.737 4.425 9.095 1.00 0.00 O ATOM 678 CB ASN A 48 -11.140 2.200 9.343 1.00 0.00 C ATOM 679 CG ASN A 48 -11.492 0.721 9.218 1.00 0.00 C ATOM 680 OD1 ASN A 48 -12.666 0.356 9.267 1.00 0.00 O ATOM 681 ND2 ASN A 48 -10.540 -0.156 9.058 1.00 0.00 N ATOM 0 H ASN A 48 -9.801 2.534 6.523 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.867 2.256 7.317 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.122 2.310 9.718 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.800 2.680 10.066 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.768 -1.147 8.973 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.567 0.149 9.018 1.00 0.00 H new ATOM 688 N GLY A 49 -11.717 5.142 7.224 1.00 0.00 N ATOM 689 CA GLY A 49 -12.336 6.461 7.279 1.00 0.00 C ATOM 690 C GLY A 49 -11.396 7.483 7.910 1.00 0.00 C ATOM 691 O GLY A 49 -11.520 8.683 7.667 1.00 0.00 O ATOM 0 H GLY A 49 -11.089 4.998 6.433 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.605 6.782 6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.260 6.409 7.854 1.00 0.00 H new ATOM 695 N ASP A 50 -10.454 7.001 8.715 1.00 0.00 N ATOM 696 CA ASP A 50 -9.498 7.889 9.367 1.00 0.00 C ATOM 697 C ASP A 50 -8.656 8.611 8.322 1.00 0.00 C ATOM 698 O ASP A 50 -7.780 8.012 7.697 1.00 0.00 O ATOM 699 CB ASP A 50 -8.585 7.085 10.293 1.00 0.00 C ATOM 700 CG ASP A 50 -9.390 6.516 11.454 1.00 0.00 C ATOM 701 OD1 ASP A 50 -9.533 7.211 12.448 1.00 0.00 O ATOM 702 OD2 ASP A 50 -9.851 5.394 11.335 1.00 0.00 O ATOM 0 H ASP A 50 -10.333 6.011 8.930 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.048 8.625 9.954 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.111 6.276 9.737 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.786 7.722 10.672 1.00 0.00 H new ATOM 707 N ILE A 51 -8.931 9.896 8.125 1.00 0.00 N ATOM 708 CA ILE A 51 -8.196 10.675 7.141 1.00 0.00 C ATOM 709 C ILE A 51 -6.721 10.776 7.525 1.00 0.00 C ATOM 710 O ILE A 51 -5.849 10.365 6.766 1.00 0.00 O ATOM 711 CB ILE A 51 -8.837 12.070 7.004 1.00 0.00 C ATOM 712 CG1 ILE A 51 -9.321 12.253 5.566 1.00 0.00 C ATOM 713 CG2 ILE A 51 -7.838 13.186 7.349 1.00 0.00 C ATOM 714 CD1 ILE A 51 -10.030 13.597 5.437 1.00 0.00 C ATOM 0 H ILE A 51 -9.651 10.414 8.629 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.247 10.173 6.175 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.671 12.136 7.703 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.477 12.207 4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -9.999 11.444 5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.324 14.156 7.242 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.496 13.063 8.377 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.984 13.132 6.674 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.376 13.729 4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.884 13.625 6.114 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.338 14.399 5.693 1.00 0.00 H new ATOM 726 N THR A 52 -6.450 11.317 8.704 1.00 0.00 N ATOM 727 CA THR A 52 -5.078 11.456 9.166 1.00 0.00 C ATOM 728 C THR A 52 -4.294 10.183 8.885 1.00 0.00 C ATOM 729 O THR A 52 -3.174 10.225 8.381 1.00 0.00 O ATOM 730 CB THR A 52 -5.051 11.730 10.661 1.00 0.00 C ATOM 731 OG1 THR A 52 -5.571 13.028 10.918 1.00 0.00 O ATOM 732 CG2 THR A 52 -3.608 11.643 11.141 1.00 0.00 C ATOM 0 H THR A 52 -7.156 11.664 9.353 1.00 0.00 H new ATOM 0 HA THR A 52 -4.623 12.290 8.632 1.00 0.00 H new ATOM 0 HB THR A 52 -5.662 10.998 11.189 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.554 13.202 11.882 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.569 11.837 12.213 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.217 10.646 10.938 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.005 12.383 10.616 1.00 0.00 H new ATOM 740 N GLN A 53 -4.886 9.047 9.207 1.00 0.00 N ATOM 741 CA GLN A 53 -4.218 7.784 8.963 1.00 0.00 C ATOM 742 C GLN A 53 -4.046 7.599 7.465 1.00 0.00 C ATOM 743 O GLN A 53 -2.938 7.393 6.981 1.00 0.00 O ATOM 744 CB GLN A 53 -5.032 6.628 9.532 1.00 0.00 C ATOM 745 CG GLN A 53 -4.503 6.253 10.918 1.00 0.00 C ATOM 746 CD GLN A 53 -4.678 7.422 11.881 1.00 0.00 C ATOM 747 OE1 GLN A 53 -4.996 8.534 11.458 1.00 0.00 O ATOM 748 NE2 GLN A 53 -4.489 7.236 13.159 1.00 0.00 N ATOM 0 H GLN A 53 -5.811 8.973 9.630 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.245 7.794 9.454 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.083 6.909 9.598 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.974 5.768 8.865 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.035 5.379 11.294 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.450 5.981 10.852 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.226 6.314 13.507 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.605 8.013 13.810 1.00 0.00 H new ATOM 757 N ALA A 54 -5.150 7.710 6.733 1.00 0.00 N ATOM 758 CA ALA A 54 -5.104 7.576 5.286 1.00 0.00 C ATOM 759 C ALA A 54 -3.888 8.313 4.773 1.00 0.00 C ATOM 760 O ALA A 54 -3.032 7.750 4.093 1.00 0.00 O ATOM 761 CB ALA A 54 -6.374 8.157 4.661 1.00 0.00 C ATOM 0 H ALA A 54 -6.078 7.891 7.116 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.041 6.522 5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.328 8.051 3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.244 7.622 5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.456 9.213 4.919 1.00 0.00 H new ATOM 767 N VAL A 55 -3.809 9.568 5.153 1.00 0.00 N ATOM 768 CA VAL A 55 -2.689 10.406 4.788 1.00 0.00 C ATOM 769 C VAL A 55 -1.399 9.649 5.040 1.00 0.00 C ATOM 770 O VAL A 55 -0.604 9.413 4.133 1.00 0.00 O ATOM 771 CB VAL A 55 -2.723 11.676 5.638 1.00 0.00 C ATOM 772 CG1 VAL A 55 -1.446 12.478 5.421 1.00 0.00 C ATOM 773 CG2 VAL A 55 -3.945 12.515 5.257 1.00 0.00 C ATOM 0 H VAL A 55 -4.516 10.035 5.721 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.747 10.674 3.733 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.792 11.405 6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.476 13.382 6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.585 11.875 5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.362 12.751 4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.968 13.420 5.864 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.886 12.786 4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.852 11.937 5.433 1.00 0.00 H new ATOM 783 N SER A 56 -1.224 9.261 6.288 1.00 0.00 N ATOM 784 CA SER A 56 -0.048 8.510 6.706 1.00 0.00 C ATOM 785 C SER A 56 0.209 7.333 5.771 1.00 0.00 C ATOM 786 O SER A 56 1.336 7.107 5.336 1.00 0.00 O ATOM 787 CB SER A 56 -0.246 8.003 8.133 1.00 0.00 C ATOM 788 OG SER A 56 1.018 7.886 8.774 1.00 0.00 O ATOM 0 H SER A 56 -1.886 9.454 7.039 1.00 0.00 H new ATOM 0 HA SER A 56 0.817 9.172 6.667 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.885 8.689 8.689 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.750 7.037 8.120 1.00 0.00 H new ATOM 0 HG SER A 56 0.891 7.562 9.690 1.00 0.00 H new ATOM 794 N LEU A 57 -0.839 6.581 5.469 1.00 0.00 N ATOM 795 CA LEU A 57 -0.707 5.428 4.588 1.00 0.00 C ATOM 796 C LEU A 57 -0.251 5.841 3.198 1.00 0.00 C ATOM 797 O LEU A 57 0.461 5.103 2.516 1.00 0.00 O ATOM 798 CB LEU A 57 -2.053 4.717 4.468 1.00 0.00 C ATOM 799 CG LEU A 57 -2.327 3.898 5.729 1.00 0.00 C ATOM 800 CD1 LEU A 57 -2.974 4.782 6.797 1.00 0.00 C ATOM 801 CD2 LEU A 57 -3.277 2.753 5.375 1.00 0.00 C ATOM 0 H LEU A 57 -1.783 6.746 5.817 1.00 0.00 H new ATOM 0 HA LEU A 57 0.041 4.763 5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.848 5.448 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.052 4.065 3.594 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.389 3.502 6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.166 4.190 7.692 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.303 5.605 7.043 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.915 5.181 6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.481 2.160 6.267 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.211 3.161 4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.817 2.120 4.616 1.00 0.00 H new ATOM 813 N LEU A 58 -0.699 7.006 2.774 1.00 0.00 N ATOM 814 CA LEU A 58 -0.371 7.499 1.435 1.00 0.00 C ATOM 815 C LEU A 58 0.935 8.286 1.379 1.00 0.00 C ATOM 816 O LEU A 58 1.450 8.545 0.292 1.00 0.00 O ATOM 817 CB LEU A 58 -1.505 8.377 0.903 1.00 0.00 C ATOM 818 CG LEU A 58 -2.837 7.636 1.031 1.00 0.00 C ATOM 819 CD1 LEU A 58 -3.992 8.629 0.861 1.00 0.00 C ATOM 820 CD2 LEU A 58 -2.943 6.544 -0.042 1.00 0.00 C ATOM 0 H LEU A 58 -1.287 7.631 3.326 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.242 6.614 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.544 9.313 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.320 8.634 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.890 7.172 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.942 8.102 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.928 9.397 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.929 9.096 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.896 6.024 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.882 6.998 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.127 5.832 0.081 1.00 0.00 H new ATOM 832 N THR A 59 1.468 8.684 2.519 1.00 0.00 N ATOM 833 CA THR A 59 2.706 9.458 2.503 1.00 0.00 C ATOM 834 C THR A 59 3.740 8.944 3.500 1.00 0.00 C ATOM 835 O THR A 59 4.736 9.617 3.767 1.00 0.00 O ATOM 836 CB THR A 59 2.401 10.924 2.779 1.00 0.00 C ATOM 837 OG1 THR A 59 3.611 11.616 3.054 1.00 0.00 O ATOM 838 CG2 THR A 59 1.457 11.039 3.974 1.00 0.00 C ATOM 0 H THR A 59 1.082 8.495 3.444 1.00 0.00 H new ATOM 0 HA THR A 59 3.141 9.346 1.510 1.00 0.00 H new ATOM 0 HB THR A 59 1.923 11.365 1.904 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.373 11.058 2.794 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.242 12.090 4.168 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.528 10.512 3.756 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.927 10.597 4.853 1.00 0.00 H new ATOM 846 N ASP A 60 3.517 7.755 4.036 1.00 0.00 N ATOM 847 CA ASP A 60 4.460 7.177 4.987 1.00 0.00 C ATOM 848 C ASP A 60 5.799 6.914 4.304 1.00 0.00 C ATOM 849 O ASP A 60 6.648 6.197 4.834 1.00 0.00 O ATOM 850 CB ASP A 60 3.901 5.869 5.543 1.00 0.00 C ATOM 851 CG ASP A 60 4.994 5.103 6.279 1.00 0.00 C ATOM 852 OD1 ASP A 60 5.584 5.673 7.183 1.00 0.00 O ATOM 853 OD2 ASP A 60 5.226 3.958 5.929 1.00 0.00 O ATOM 0 H ASP A 60 2.703 7.175 3.834 1.00 0.00 H new ATOM 0 HA ASP A 60 4.610 7.881 5.806 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.073 6.077 6.220 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.503 5.260 4.731 1.00 0.00 H new ATOM 858 N GLU A 61 5.974 7.498 3.121 1.00 0.00 N ATOM 859 CA GLU A 61 7.199 7.330 2.354 1.00 0.00 C ATOM 860 C GLU A 61 7.044 6.180 1.367 1.00 0.00 C ATOM 861 O GLU A 61 7.726 5.161 1.471 1.00 0.00 O ATOM 862 CB GLU A 61 8.365 7.053 3.294 1.00 0.00 C ATOM 863 CG GLU A 61 9.677 7.463 2.620 1.00 0.00 C ATOM 864 CD GLU A 61 10.796 7.541 3.653 1.00 0.00 C ATOM 865 OE1 GLU A 61 10.887 8.557 4.323 1.00 0.00 O ATOM 866 OE2 GLU A 61 11.546 6.585 3.757 1.00 0.00 O ATOM 0 H GLU A 61 5.277 8.094 2.674 1.00 0.00 H new ATOM 0 HA GLU A 61 7.398 8.247 1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.234 7.606 4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.393 5.995 3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.937 6.742 1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.556 8.429 2.130 1.00 0.00 H new ATOM 873 N ARG A 62 6.119 6.342 0.427 1.00 0.00 N ATOM 874 CA ARG A 62 5.852 5.307 -0.552 1.00 0.00 C ATOM 875 C ARG A 62 5.451 5.888 -1.903 1.00 0.00 C ATOM 876 O ARG A 62 6.109 5.652 -2.916 1.00 0.00 O ATOM 877 CB ARG A 62 4.724 4.425 -0.035 1.00 0.00 C ATOM 878 CG ARG A 62 3.659 5.290 0.656 1.00 0.00 C ATOM 879 CD ARG A 62 2.321 5.132 -0.061 1.00 0.00 C ATOM 880 NE ARG A 62 2.092 3.733 -0.412 1.00 0.00 N ATOM 881 CZ ARG A 62 1.802 3.362 -1.659 1.00 0.00 C ATOM 882 NH1 ARG A 62 1.699 4.252 -2.611 1.00 0.00 N ATOM 883 NH2 ARG A 62 1.614 2.100 -1.930 1.00 0.00 N ATOM 0 H ARG A 62 5.546 7.180 0.326 1.00 0.00 H new ATOM 0 HA ARG A 62 6.767 4.732 -0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.276 3.871 -0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.118 3.689 0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.559 4.995 1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.965 6.336 0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.514 5.489 0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.309 5.746 -0.962 1.00 0.00 H new ATOM 0 HE ARG A 62 2.156 3.021 0.316 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.841 5.240 -2.403 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.477 3.958 -3.562 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.689 1.403 -1.189 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.392 1.811 -2.882 1.00 0.00 H new ATOM 897 N VAL A 63 4.357 6.628 -1.901 1.00 0.00 N ATOM 898 CA VAL A 63 3.836 7.232 -3.124 1.00 0.00 C ATOM 899 C VAL A 63 4.946 7.427 -4.140 1.00 0.00 C ATOM 900 O VAL A 63 5.008 6.734 -5.156 1.00 0.00 O ATOM 901 CB VAL A 63 3.171 8.580 -2.816 1.00 0.00 C ATOM 902 CG1 VAL A 63 3.273 9.501 -4.035 1.00 0.00 C ATOM 903 CG2 VAL A 63 1.692 8.357 -2.485 1.00 0.00 C ATOM 0 H VAL A 63 3.807 6.828 -1.066 1.00 0.00 H new ATOM 0 HA VAL A 63 3.091 6.557 -3.544 1.00 0.00 H new ATOM 0 HB VAL A 63 3.677 9.040 -1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.799 10.456 -3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.322 9.665 -4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.770 9.038 -4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.220 9.315 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.194 7.893 -3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.608 7.704 -1.616 1.00 0.00 H new ATOM 913 N LYS A 64 5.807 8.378 -3.851 1.00 0.00 N ATOM 914 CA LYS A 64 6.923 8.687 -4.739 1.00 0.00 C ATOM 915 C LYS A 64 6.470 8.616 -6.196 1.00 0.00 C ATOM 916 O LYS A 64 5.282 8.465 -6.477 1.00 0.00 O ATOM 917 CB LYS A 64 8.069 7.699 -4.507 1.00 0.00 C ATOM 918 CG LYS A 64 9.100 8.323 -3.564 1.00 0.00 C ATOM 919 CD LYS A 64 8.397 8.840 -2.307 1.00 0.00 C ATOM 920 CE LYS A 64 9.252 8.529 -1.076 1.00 0.00 C ATOM 921 NZ LYS A 64 10.690 8.750 -1.402 1.00 0.00 N ATOM 0 H LYS A 64 5.762 8.954 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 64 7.272 9.697 -4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.684 6.773 -4.080 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.538 7.441 -5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.855 7.584 -3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.619 9.140 -4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.233 9.915 -2.386 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.417 8.374 -2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.955 9.166 -0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.094 7.498 -0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.213 8.975 -0.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.085 7.889 -1.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.777 9.541 -2.072 1.00 0.00 H new ATOM 935 N GLU A 65 7.421 8.726 -7.119 1.00 0.00 N ATOM 936 CA GLU A 65 7.098 8.669 -8.541 1.00 0.00 C ATOM 937 C GLU A 65 5.925 7.719 -8.784 1.00 0.00 C ATOM 938 O GLU A 65 6.113 6.509 -8.908 1.00 0.00 O ATOM 939 CB GLU A 65 8.318 8.189 -9.331 1.00 0.00 C ATOM 940 CG GLU A 65 9.281 9.359 -9.538 1.00 0.00 C ATOM 941 CD GLU A 65 10.333 8.993 -10.579 1.00 0.00 C ATOM 942 OE1 GLU A 65 9.949 8.657 -11.687 1.00 0.00 O ATOM 943 OE2 GLU A 65 11.508 9.054 -10.254 1.00 0.00 O ATOM 0 H GLU A 65 8.411 8.854 -6.911 1.00 0.00 H new ATOM 0 HA GLU A 65 6.818 9.668 -8.875 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.818 7.382 -8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.006 7.786 -10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.729 10.241 -9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.764 9.614 -8.595 1.00 0.00 H new ATOM 950 N PRO A 66 4.724 8.240 -8.845 1.00 0.00 N ATOM 951 CA PRO A 66 3.499 7.414 -9.069 1.00 0.00 C ATOM 952 C PRO A 66 3.500 6.719 -10.429 1.00 0.00 C ATOM 953 O PRO A 66 4.555 6.417 -10.989 1.00 0.00 O ATOM 954 CB PRO A 66 2.341 8.416 -8.986 1.00 0.00 C ATOM 955 CG PRO A 66 2.907 9.662 -8.386 1.00 0.00 C ATOM 956 CD PRO A 66 4.399 9.667 -8.705 1.00 0.00 C ATOM 0 HA PRO A 66 3.429 6.611 -8.335 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.926 8.614 -9.974 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.530 8.023 -8.373 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.420 10.546 -8.799 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.742 9.682 -7.309 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.612 10.219 -9.620 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.978 10.135 -7.909 1.00 0.00 H new ATOM 964 N SER A 67 2.302 6.474 -10.953 1.00 0.00 N ATOM 965 CA SER A 67 2.153 5.820 -12.247 1.00 0.00 C ATOM 966 C SER A 67 2.878 4.478 -12.272 1.00 0.00 C ATOM 967 O SER A 67 3.833 4.292 -13.026 1.00 0.00 O ATOM 968 CB SER A 67 2.702 6.724 -13.350 1.00 0.00 C ATOM 969 OG SER A 67 4.077 6.430 -13.561 1.00 0.00 O ATOM 0 H SER A 67 1.421 6.719 -10.500 1.00 0.00 H new ATOM 0 HA SER A 67 1.092 5.638 -12.417 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.141 6.573 -14.272 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.581 7.771 -13.071 1.00 0.00 H new ATOM 0 HG SER A 67 4.178 5.482 -13.788 1.00 0.00 H new ATOM 975 N GLN A 68 2.418 3.544 -11.446 1.00 0.00 N ATOM 976 CA GLN A 68 3.030 2.223 -11.389 1.00 0.00 C ATOM 977 C GLN A 68 1.977 1.133 -11.523 1.00 0.00 C ATOM 978 O GLN A 68 2.256 0.048 -12.033 1.00 0.00 O ATOM 979 CB GLN A 68 3.767 2.048 -10.064 1.00 0.00 C ATOM 980 CG GLN A 68 2.757 1.940 -8.921 1.00 0.00 C ATOM 981 CD GLN A 68 2.633 0.488 -8.472 1.00 0.00 C ATOM 982 OE1 GLN A 68 2.957 -0.427 -9.229 1.00 0.00 O ATOM 983 NE2 GLN A 68 2.181 0.219 -7.277 1.00 0.00 N ATOM 0 H GLN A 68 1.630 3.676 -10.812 1.00 0.00 H new ATOM 0 HA GLN A 68 3.733 2.139 -12.217 1.00 0.00 H new ATOM 0 HB2 GLN A 68 4.389 1.153 -10.098 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.434 2.893 -9.894 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.074 2.562 -8.084 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.786 2.313 -9.246 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.913 0.978 -6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.096 -0.750 -6.970 1.00 0.00 H new ATOM 992 N ASP A 69 0.770 1.422 -11.052 1.00 0.00 N ATOM 993 CA ASP A 69 -0.308 0.448 -11.117 1.00 0.00 C ATOM 994 C ASP A 69 -1.150 0.656 -12.366 1.00 0.00 C ATOM 995 O ASP A 69 -1.860 -0.245 -12.813 1.00 0.00 O ATOM 996 CB ASP A 69 -1.190 0.564 -9.874 1.00 0.00 C ATOM 997 CG ASP A 69 -1.560 -0.823 -9.361 1.00 0.00 C ATOM 998 OD1 ASP A 69 -1.512 -1.756 -10.146 1.00 0.00 O ATOM 999 OD2 ASP A 69 -1.882 -0.933 -8.190 1.00 0.00 O ATOM 0 H ASP A 69 0.516 2.313 -10.626 1.00 0.00 H new ATOM 0 HA ASP A 69 0.132 -0.548 -11.158 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.665 1.119 -9.097 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.094 1.125 -10.111 1.00 0.00 H new ATOM 1004 N THR A 70 -1.059 1.850 -12.920 1.00 0.00 N ATOM 1005 CA THR A 70 -1.811 2.189 -14.125 1.00 0.00 C ATOM 1006 C THR A 70 -0.941 2.009 -15.364 1.00 0.00 C ATOM 1007 O THR A 70 0.280 2.153 -15.302 1.00 0.00 O ATOM 1008 CB THR A 70 -2.305 3.637 -14.050 1.00 0.00 C ATOM 1009 OG1 THR A 70 -1.198 4.519 -14.174 1.00 0.00 O ATOM 1010 CG2 THR A 70 -3.003 3.874 -12.709 1.00 0.00 C ATOM 0 H THR A 70 -0.474 2.604 -12.560 1.00 0.00 H new ATOM 0 HA THR A 70 -2.669 1.520 -14.194 1.00 0.00 H new ATOM 0 HB THR A 70 -3.011 3.823 -14.859 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.512 5.446 -14.128 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.353 4.905 -12.658 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.852 3.197 -12.616 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.301 3.689 -11.896 1.00 0.00 H new ATOM 1018 N VAL A 71 -1.577 1.694 -16.489 1.00 0.00 N ATOM 1019 CA VAL A 71 -0.846 1.498 -17.737 1.00 0.00 C ATOM 1020 C VAL A 71 0.381 2.402 -17.782 1.00 0.00 C ATOM 1021 O VAL A 71 0.431 3.433 -17.113 1.00 0.00 O ATOM 1022 CB VAL A 71 -1.770 1.773 -18.936 1.00 0.00 C ATOM 1023 CG1 VAL A 71 -3.086 2.370 -18.439 1.00 0.00 C ATOM 1024 CG2 VAL A 71 -1.110 2.753 -19.914 1.00 0.00 C ATOM 0 H VAL A 71 -2.587 1.570 -16.562 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.507 0.463 -17.790 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.958 0.832 -19.453 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.741 2.565 -19.288 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.571 1.668 -17.761 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.886 3.304 -17.913 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.780 2.934 -20.755 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.905 3.694 -19.404 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.175 2.328 -20.280 1.00 0.00 H new ATOM 1034 N ALA A 72 1.368 1.997 -18.572 1.00 0.00 N ATOM 1035 CA ALA A 72 2.603 2.758 -18.709 1.00 0.00 C ATOM 1036 C ALA A 72 2.332 4.260 -18.690 1.00 0.00 C ATOM 1037 O ALA A 72 2.028 4.836 -17.646 1.00 0.00 O ATOM 1038 CB ALA A 72 3.295 2.377 -20.016 1.00 0.00 C ATOM 0 H ALA A 72 1.336 1.143 -19.129 1.00 0.00 H new ATOM 0 HA ALA A 72 3.248 2.519 -17.864 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.219 2.947 -20.118 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.525 1.311 -20.009 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.636 2.601 -20.855 1.00 0.00 H new ATOM 1044 N THR A 73 2.459 4.889 -19.850 1.00 0.00 N ATOM 1045 CA THR A 73 2.238 6.328 -19.954 1.00 0.00 C ATOM 1046 C THR A 73 3.458 7.086 -19.439 1.00 0.00 C ATOM 1047 O THR A 73 4.493 6.486 -19.152 1.00 0.00 O ATOM 1048 CB THR A 73 1.002 6.726 -19.142 1.00 0.00 C ATOM 1049 OG1 THR A 73 0.168 5.589 -18.965 1.00 0.00 O ATOM 1050 CG2 THR A 73 0.230 7.817 -19.886 1.00 0.00 C ATOM 0 H THR A 73 2.712 4.432 -20.726 1.00 0.00 H new ATOM 0 HA THR A 73 2.077 6.584 -21.001 1.00 0.00 H new ATOM 0 HB THR A 73 1.313 7.104 -18.168 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.318 5.209 -18.074 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.649 8.099 -19.307 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.871 8.688 -20.021 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.082 7.442 -20.861 1.00 0.00 H new ATOM 1058 N GLU A 74 3.331 8.404 -19.326 1.00 0.00 N ATOM 1059 CA GLU A 74 4.439 9.223 -18.845 1.00 0.00 C ATOM 1060 C GLU A 74 4.082 9.909 -17.527 1.00 0.00 C ATOM 1061 O GLU A 74 4.815 9.796 -16.545 1.00 0.00 O ATOM 1062 CB GLU A 74 4.807 10.277 -19.895 1.00 0.00 C ATOM 1063 CG GLU A 74 6.223 10.011 -20.413 1.00 0.00 C ATOM 1064 CD GLU A 74 6.466 10.796 -21.696 1.00 0.00 C ATOM 1065 OE1 GLU A 74 6.708 11.989 -21.601 1.00 0.00 O ATOM 1066 OE2 GLU A 74 6.410 10.194 -22.756 1.00 0.00 O ATOM 0 H GLU A 74 2.484 8.923 -19.557 1.00 0.00 H new ATOM 0 HA GLU A 74 5.294 8.569 -18.672 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.095 10.247 -20.720 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.749 11.275 -19.460 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.955 10.298 -19.658 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.357 8.945 -20.598 1.00 0.00 H new ATOM 1073 N PRO A 75 2.981 10.614 -17.486 1.00 0.00 N ATOM 1074 CA PRO A 75 2.526 11.330 -16.266 1.00 0.00 C ATOM 1075 C PRO A 75 1.682 10.441 -15.359 1.00 0.00 C ATOM 1076 O PRO A 75 2.203 9.558 -14.677 1.00 0.00 O ATOM 1077 CB PRO A 75 1.695 12.471 -16.847 1.00 0.00 C ATOM 1078 CG PRO A 75 1.081 11.901 -18.085 1.00 0.00 C ATOM 1079 CD PRO A 75 2.037 10.814 -18.599 1.00 0.00 C ATOM 0 HA PRO A 75 3.350 11.660 -15.634 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.932 12.803 -16.143 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.316 13.337 -17.076 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.099 11.481 -17.870 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.938 12.677 -18.837 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.503 9.895 -18.840 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.551 11.131 -19.506 1.00 0.00 H new ATOM 1087 N SER A 76 0.378 10.681 -15.360 1.00 0.00 N ATOM 1088 CA SER A 76 -0.537 9.900 -14.539 1.00 0.00 C ATOM 1089 C SER A 76 -1.843 9.650 -15.289 1.00 0.00 C ATOM 1090 O SER A 76 -2.018 10.113 -16.416 1.00 0.00 O ATOM 1091 CB SER A 76 -0.828 10.639 -13.232 1.00 0.00 C ATOM 1092 OG SER A 76 -1.158 9.694 -12.222 1.00 0.00 O ATOM 0 H SER A 76 -0.069 11.408 -15.918 1.00 0.00 H new ATOM 0 HA SER A 76 -0.069 8.941 -14.315 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.041 11.223 -12.930 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.650 11.341 -13.373 1.00 0.00 H new ATOM 0 HG SER A 76 -1.343 10.164 -11.382 1.00 0.00 H new ATOM 1098 N GLU A 77 -2.755 8.921 -14.657 1.00 0.00 N ATOM 1099 CA GLU A 77 -4.039 8.622 -15.277 1.00 0.00 C ATOM 1100 C GLU A 77 -4.579 9.844 -15.988 1.00 0.00 C ATOM 1101 O GLU A 77 -4.421 10.012 -17.197 1.00 0.00 O ATOM 1102 CB GLU A 77 -5.047 8.193 -14.208 1.00 0.00 C ATOM 1103 CG GLU A 77 -5.137 6.666 -14.169 1.00 0.00 C ATOM 1104 CD GLU A 77 -6.139 6.232 -13.105 1.00 0.00 C ATOM 1105 OE1 GLU A 77 -6.595 7.088 -12.364 1.00 0.00 O ATOM 1106 OE2 GLU A 77 -6.436 5.050 -13.046 1.00 0.00 O ATOM 0 H GLU A 77 -2.631 8.529 -13.724 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.892 7.817 -15.996 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.743 8.574 -13.233 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.026 8.619 -14.425 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.441 6.286 -15.144 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.157 6.241 -13.953 1.00 0.00 H new ATOM 1113 N VAL A 78 -5.221 10.686 -15.207 1.00 0.00 N ATOM 1114 CA VAL A 78 -5.811 11.911 -15.719 1.00 0.00 C ATOM 1115 C VAL A 78 -4.751 13.000 -15.847 1.00 0.00 C ATOM 1116 O VAL A 78 -3.574 12.712 -16.063 1.00 0.00 O ATOM 1117 CB VAL A 78 -6.916 12.369 -14.770 1.00 0.00 C ATOM 1118 CG1 VAL A 78 -6.287 12.905 -13.483 1.00 0.00 C ATOM 1119 CG2 VAL A 78 -7.753 13.463 -15.435 1.00 0.00 C ATOM 0 H VAL A 78 -5.350 10.545 -14.205 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.230 11.721 -16.707 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.564 11.525 -14.533 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.073 13.233 -12.803 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.702 12.117 -13.008 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.637 13.747 -13.719 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.539 13.785 -14.752 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.114 14.312 -15.679 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.203 13.073 -16.348 1.00 0.00 H new ATOM 1129 N GLU A 79 -5.174 14.249 -15.709 1.00 0.00 N ATOM 1130 CA GLU A 79 -4.250 15.372 -15.808 1.00 0.00 C ATOM 1131 C GLU A 79 -3.607 15.652 -14.456 1.00 0.00 C ATOM 1132 O GLU A 79 -4.174 15.337 -13.411 1.00 0.00 O ATOM 1133 CB GLU A 79 -4.990 16.620 -16.292 1.00 0.00 C ATOM 1134 CG GLU A 79 -5.147 16.568 -17.813 1.00 0.00 C ATOM 1135 CD GLU A 79 -6.599 16.837 -18.197 1.00 0.00 C ATOM 1136 OE1 GLU A 79 -7.459 16.097 -17.748 1.00 0.00 O ATOM 1137 OE2 GLU A 79 -6.830 17.782 -18.934 1.00 0.00 O ATOM 0 H GLU A 79 -6.144 14.510 -15.529 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.470 15.115 -16.525 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.969 16.681 -15.817 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.440 17.516 -16.004 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.496 17.307 -18.280 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.839 15.591 -18.186 1.00 0.00 H new ATOM 1144 N GLY A 80 -2.421 16.249 -14.485 1.00 0.00 N ATOM 1145 CA GLY A 80 -1.711 16.569 -13.254 1.00 0.00 C ATOM 1146 C GLY A 80 -0.279 16.048 -13.295 1.00 0.00 C ATOM 1147 O GLY A 80 -0.016 14.961 -13.809 1.00 0.00 O ATOM 0 H GLY A 80 -1.935 16.519 -15.340 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.704 17.649 -13.105 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.236 16.133 -12.404 1.00 0.00 H new ATOM 1151 N SER A 81 0.642 16.833 -12.748 1.00 0.00 N ATOM 1152 CA SER A 81 2.047 16.447 -12.723 1.00 0.00 C ATOM 1153 C SER A 81 2.709 16.954 -11.446 1.00 0.00 C ATOM 1154 O SER A 81 2.048 17.535 -10.586 1.00 0.00 O ATOM 1155 CB SER A 81 2.769 17.024 -13.939 1.00 0.00 C ATOM 1156 OG SER A 81 2.109 16.597 -15.123 1.00 0.00 O ATOM 0 H SER A 81 0.442 17.736 -12.318 1.00 0.00 H new ATOM 0 HA SER A 81 2.111 15.359 -12.750 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.780 18.113 -13.887 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.808 16.695 -13.949 1.00 0.00 H new ATOM 0 HG SER A 81 2.569 16.967 -15.905 1.00 0.00 H new ATOM 1162 N ALA A 82 4.013 16.731 -11.328 1.00 0.00 N ATOM 1163 CA ALA A 82 4.749 17.172 -10.154 1.00 0.00 C ATOM 1164 C ALA A 82 4.520 18.661 -9.908 1.00 0.00 C ATOM 1165 O ALA A 82 3.457 19.194 -10.223 1.00 0.00 O ATOM 1166 CB ALA A 82 6.242 16.905 -10.347 1.00 0.00 C ATOM 0 H ALA A 82 4.578 16.250 -12.028 1.00 0.00 H new ATOM 0 HA ALA A 82 4.390 16.615 -9.289 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.788 17.237 -9.464 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.405 15.837 -10.494 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.599 17.450 -11.221 1.00 0.00 H new ATOM 1172 N ALA A 83 5.524 19.328 -9.349 1.00 0.00 N ATOM 1173 CA ALA A 83 5.414 20.755 -9.074 1.00 0.00 C ATOM 1174 C ALA A 83 4.840 21.487 -10.283 1.00 0.00 C ATOM 1175 O ALA A 83 4.920 21.000 -11.410 1.00 0.00 O ATOM 1176 CB ALA A 83 6.790 21.330 -8.737 1.00 0.00 C ATOM 0 H ALA A 83 6.414 18.909 -9.080 1.00 0.00 H new ATOM 0 HA ALA A 83 4.745 20.893 -8.225 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.698 22.397 -8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.190 20.825 -7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.464 21.178 -9.580 1.00 0.00 H new ATOM 1182 N ASN A 84 4.266 22.660 -10.040 1.00 0.00 N ATOM 1183 CA ASN A 84 3.687 23.451 -11.118 1.00 0.00 C ATOM 1184 C ASN A 84 4.756 24.327 -11.764 1.00 0.00 C ATOM 1185 O ASN A 84 4.449 25.343 -12.390 1.00 0.00 O ATOM 1186 CB ASN A 84 2.558 24.331 -10.573 1.00 0.00 C ATOM 1187 CG ASN A 84 1.390 23.458 -10.121 1.00 0.00 C ATOM 1188 OD1 ASN A 84 1.568 22.269 -9.861 1.00 0.00 O ATOM 1189 ND2 ASN A 84 0.199 23.982 -10.011 1.00 0.00 N ATOM 0 H ASN A 84 4.190 23.081 -9.114 1.00 0.00 H new ATOM 0 HA ASN A 84 3.283 22.773 -11.870 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.922 24.928 -9.737 1.00 0.00 H new ATOM 0 HB3 ASN A 84 2.226 25.029 -11.342 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.586 23.405 -9.709 1.00 0.00 H new ATOM 0 HD22 ASN A 84 0.054 24.968 -10.227 1.00 0.00 H new ATOM 1196 N LYS A 85 6.014 23.925 -11.606 1.00 0.00 N ATOM 1197 CA LYS A 85 7.127 24.677 -12.175 1.00 0.00 C ATOM 1198 C LYS A 85 8.041 23.758 -12.978 1.00 0.00 C ATOM 1199 O LYS A 85 7.951 22.535 -12.873 1.00 0.00 O ATOM 1200 CB LYS A 85 7.927 25.352 -11.058 1.00 0.00 C ATOM 1201 CG LYS A 85 9.053 24.424 -10.597 1.00 0.00 C ATOM 1202 CD LYS A 85 9.476 24.806 -9.180 1.00 0.00 C ATOM 1203 CE LYS A 85 10.979 24.575 -9.016 1.00 0.00 C ATOM 1204 NZ LYS A 85 11.275 24.219 -7.599 1.00 0.00 N ATOM 0 H LYS A 85 6.287 23.088 -11.092 1.00 0.00 H new ATOM 0 HA LYS A 85 6.723 25.439 -12.842 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.342 26.295 -11.414 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.271 25.589 -10.220 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.718 23.387 -10.621 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.903 24.500 -11.275 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.235 25.851 -8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.924 24.211 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.310 23.776 -9.680 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.529 25.473 -9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.297 24.062 -7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.974 24.995 -6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.761 23.351 -7.344 1.00 0.00 H new ATOM 1218 N GLU A 86 8.929 24.360 -13.768 1.00 0.00 N ATOM 1219 CA GLU A 86 9.870 23.594 -14.587 1.00 0.00 C ATOM 1220 C GLU A 86 10.719 24.520 -15.456 1.00 0.00 C ATOM 1221 O GLU A 86 11.108 24.150 -16.563 1.00 0.00 O ATOM 1222 CB GLU A 86 9.119 22.617 -15.501 1.00 0.00 C ATOM 1223 CG GLU A 86 10.103 21.577 -16.042 1.00 0.00 C ATOM 1224 CD GLU A 86 9.345 20.368 -16.580 1.00 0.00 C ATOM 1225 OE1 GLU A 86 8.347 20.003 -15.979 1.00 0.00 O ATOM 1226 OE2 GLU A 86 9.773 19.824 -17.585 1.00 0.00 O ATOM 0 H GLU A 86 9.017 25.372 -13.859 1.00 0.00 H new ATOM 0 HA GLU A 86 10.518 23.040 -13.907 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.319 22.125 -14.948 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.652 23.157 -16.325 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.710 22.017 -16.833 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.786 21.266 -15.252 1.00 0.00 H new ATOM 1233 N VAL A 87 11.004 25.721 -14.965 1.00 0.00 N ATOM 1234 CA VAL A 87 11.807 26.662 -15.740 1.00 0.00 C ATOM 1235 C VAL A 87 12.594 27.599 -14.839 1.00 0.00 C ATOM 1236 O VAL A 87 12.212 27.859 -13.698 1.00 0.00 O ATOM 1237 CB VAL A 87 10.908 27.485 -16.664 1.00 0.00 C ATOM 1238 CG1 VAL A 87 11.773 28.264 -17.660 1.00 0.00 C ATOM 1239 CG2 VAL A 87 9.970 26.549 -17.427 1.00 0.00 C ATOM 0 H VAL A 87 10.699 26.062 -14.053 1.00 0.00 H new ATOM 0 HA VAL A 87 12.514 26.081 -16.332 1.00 0.00 H new ATOM 0 HB VAL A 87 10.320 28.185 -16.070 1.00 0.00 H new ATOM 0 HG11 VAL A 87 11.132 28.850 -18.318 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.442 28.931 -17.117 1.00 0.00 H new ATOM 0 HG13 VAL A 87 12.362 27.566 -18.255 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.329 27.134 -18.086 1.00 0.00 H new ATOM 0 HG22 VAL A 87 10.558 25.849 -18.021 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.354 25.995 -16.719 1.00 0.00 H new ATOM 1249 N LEU A 88 13.695 28.108 -15.376 1.00 0.00 N ATOM 1250 CA LEU A 88 14.548 29.030 -14.646 1.00 0.00 C ATOM 1251 C LEU A 88 14.393 30.428 -15.217 1.00 0.00 C ATOM 1252 O LEU A 88 14.607 31.430 -14.536 1.00 0.00 O ATOM 1253 CB LEU A 88 16.000 28.583 -14.767 1.00 0.00 C ATOM 1254 CG LEU A 88 16.123 27.124 -14.327 1.00 0.00 C ATOM 1255 CD1 LEU A 88 15.990 26.209 -15.545 1.00 0.00 C ATOM 1256 CD2 LEU A 88 17.489 26.904 -13.673 1.00 0.00 C ATOM 0 H LEU A 88 14.018 27.895 -16.320 1.00 0.00 H new ATOM 0 HA LEU A 88 14.259 29.038 -13.595 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.341 28.693 -15.796 1.00 0.00 H new ATOM 0 HB3 LEU A 88 16.639 29.215 -14.150 1.00 0.00 H new ATOM 0 HG LEU A 88 15.334 26.893 -13.612 1.00 0.00 H new ATOM 0 HD11 LEU A 88 16.078 25.169 -15.230 1.00 0.00 H new ATOM 0 HD12 LEU A 88 15.018 26.366 -16.013 1.00 0.00 H new ATOM 0 HD13 LEU A 88 16.779 26.439 -16.261 1.00 0.00 H new ATOM 0 HD21 LEU A 88 17.579 25.864 -13.359 1.00 0.00 H new ATOM 0 HD22 LEU A 88 18.277 27.136 -14.390 1.00 0.00 H new ATOM 0 HD23 LEU A 88 17.586 27.555 -12.804 1.00 0.00 H new ATOM 1268 N ALA A 89 14.006 30.470 -16.479 1.00 0.00 N ATOM 1269 CA ALA A 89 13.798 31.728 -17.178 1.00 0.00 C ATOM 1270 C ALA A 89 14.997 32.652 -17.006 1.00 0.00 C ATOM 1271 O ALA A 89 15.332 33.050 -15.890 1.00 0.00 O ATOM 1272 CB ALA A 89 12.536 32.406 -16.647 1.00 0.00 C ATOM 0 H ALA A 89 13.828 29.641 -17.046 1.00 0.00 H new ATOM 0 HA ALA A 89 13.680 31.519 -18.241 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.381 33.349 -17.172 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.677 31.755 -16.810 1.00 0.00 H new ATOM 0 HB3 ALA A 89 12.648 32.599 -15.580 1.00 0.00 H new ATOM 1278 N LYS A 90 15.641 32.989 -18.120 1.00 0.00 N ATOM 1279 CA LYS A 90 16.804 33.867 -18.079 1.00 0.00 C ATOM 1280 C LYS A 90 16.936 34.666 -19.367 1.00 0.00 C ATOM 1281 O LYS A 90 16.455 34.253 -20.423 1.00 0.00 O ATOM 1282 CB LYS A 90 18.073 33.041 -17.872 1.00 0.00 C ATOM 1283 CG LYS A 90 18.895 33.645 -16.730 1.00 0.00 C ATOM 1284 CD LYS A 90 18.231 33.347 -15.377 1.00 0.00 C ATOM 1285 CE LYS A 90 17.970 31.845 -15.237 1.00 0.00 C ATOM 1286 NZ LYS A 90 19.035 31.084 -15.953 1.00 0.00 N ATOM 0 H LYS A 90 15.380 32.671 -19.053 1.00 0.00 H new ATOM 0 HA LYS A 90 16.670 34.561 -17.249 1.00 0.00 H new ATOM 0 HB2 LYS A 90 17.814 32.008 -17.641 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.662 33.024 -18.789 1.00 0.00 H new ATOM 0 HG2 LYS A 90 19.905 33.236 -16.745 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.985 34.722 -16.869 1.00 0.00 H new ATOM 0 HD2 LYS A 90 18.873 33.689 -14.565 1.00 0.00 H new ATOM 0 HD3 LYS A 90 17.293 33.896 -15.295 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.954 31.565 -14.184 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.992 31.596 -15.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 19.136 30.142 -15.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 18.775 30.983 -16.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 19.937 31.596 -15.879 1.00 0.00 H new ATOM 1300 N VAL A 91 17.607 35.808 -19.270 1.00 0.00 N ATOM 1301 CA VAL A 91 17.817 36.661 -20.429 1.00 0.00 C ATOM 1302 C VAL A 91 18.968 37.629 -20.175 1.00 0.00 C ATOM 1303 O VAL A 91 18.752 38.776 -19.781 1.00 0.00 O ATOM 1304 CB VAL A 91 16.544 37.450 -20.743 1.00 0.00 C ATOM 1305 CG1 VAL A 91 16.827 38.452 -21.864 1.00 0.00 C ATOM 1306 CG2 VAL A 91 15.444 36.486 -21.191 1.00 0.00 C ATOM 0 H VAL A 91 18.013 36.162 -18.404 1.00 0.00 H new ATOM 0 HA VAL A 91 18.066 36.028 -21.281 1.00 0.00 H new ATOM 0 HB VAL A 91 16.220 37.984 -19.850 1.00 0.00 H new ATOM 0 HG11 VAL A 91 15.920 39.014 -22.087 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.611 39.140 -21.548 1.00 0.00 H new ATOM 0 HG13 VAL A 91 17.152 37.917 -22.757 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.537 37.048 -21.415 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.770 35.952 -22.084 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.240 35.771 -20.394 1.00 0.00 H new ATOM 1316 N ILE A 92 20.190 37.160 -20.402 1.00 0.00 N ATOM 1317 CA ILE A 92 21.367 37.995 -20.193 1.00 0.00 C ATOM 1318 C ILE A 92 21.681 38.799 -21.451 1.00 0.00 C ATOM 1319 O ILE A 92 21.607 38.281 -22.566 1.00 0.00 O ATOM 1320 CB ILE A 92 22.570 37.125 -19.825 1.00 0.00 C ATOM 1321 CG1 ILE A 92 23.262 36.645 -21.103 1.00 0.00 C ATOM 1322 CG2 ILE A 92 22.099 35.916 -19.018 1.00 0.00 C ATOM 1323 CD1 ILE A 92 24.286 35.563 -20.755 1.00 0.00 C ATOM 0 H ILE A 92 20.391 36.215 -20.728 1.00 0.00 H new ATOM 0 HA ILE A 92 21.159 38.685 -19.376 1.00 0.00 H new ATOM 0 HB ILE A 92 23.270 37.709 -19.228 1.00 0.00 H new ATOM 0 HG12 ILE A 92 22.524 36.251 -21.802 1.00 0.00 H new ATOM 0 HG13 ILE A 92 23.755 37.482 -21.598 1.00 0.00 H new ATOM 0 HG21 ILE A 92 22.957 35.297 -18.756 1.00 0.00 H new ATOM 0 HG22 ILE A 92 21.606 36.256 -18.107 1.00 0.00 H new ATOM 0 HG23 ILE A 92 21.398 35.332 -19.614 1.00 0.00 H new ATOM 0 HD11 ILE A 92 24.778 35.222 -21.666 1.00 0.00 H new ATOM 0 HD12 ILE A 92 25.030 35.972 -20.072 1.00 0.00 H new ATOM 0 HD13 ILE A 92 23.780 34.723 -20.279 1.00 0.00 H new ATOM 1335 N ASP A 93 22.032 40.066 -21.262 1.00 0.00 N ATOM 1336 CA ASP A 93 22.358 40.937 -22.385 1.00 0.00 C ATOM 1337 C ASP A 93 22.777 42.313 -21.890 1.00 0.00 C ATOM 1338 O ASP A 93 21.965 43.066 -21.351 1.00 0.00 O ATOM 1339 CB ASP A 93 21.150 41.072 -23.315 1.00 0.00 C ATOM 1340 CG ASP A 93 21.592 41.616 -24.669 1.00 0.00 C ATOM 1341 OD1 ASP A 93 21.720 42.823 -24.788 1.00 0.00 O ATOM 1342 OD2 ASP A 93 21.796 40.816 -25.568 1.00 0.00 O ATOM 0 H ASP A 93 22.098 40.511 -20.347 1.00 0.00 H new ATOM 0 HA ASP A 93 23.188 40.492 -22.934 1.00 0.00 H new ATOM 0 HB2 ASP A 93 20.669 40.102 -23.443 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.411 41.738 -22.870 1.00 0.00 H new ATOM 1347 N LEU A 94 24.054 42.632 -22.068 1.00 0.00 N ATOM 1348 CA LEU A 94 24.575 43.913 -21.628 1.00 0.00 C ATOM 1349 C LEU A 94 25.387 44.574 -22.726 1.00 0.00 C ATOM 1350 O LEU A 94 25.208 45.752 -23.037 1.00 0.00 O ATOM 1351 CB LEU A 94 25.430 43.711 -20.374 1.00 0.00 C ATOM 1352 CG LEU A 94 26.694 42.892 -20.677 1.00 0.00 C ATOM 1353 CD1 LEU A 94 27.536 42.786 -19.404 1.00 0.00 C ATOM 1354 CD2 LEU A 94 26.304 41.484 -21.137 1.00 0.00 C ATOM 0 H LEU A 94 24.741 42.023 -22.512 1.00 0.00 H new ATOM 0 HA LEU A 94 23.739 44.572 -21.391 1.00 0.00 H new ATOM 0 HB2 LEU A 94 25.714 44.681 -19.966 1.00 0.00 H new ATOM 0 HB3 LEU A 94 24.842 43.204 -19.610 1.00 0.00 H new ATOM 0 HG LEU A 94 27.264 43.384 -21.465 1.00 0.00 H new ATOM 0 HD11 LEU A 94 28.436 42.206 -19.610 1.00 0.00 H new ATOM 0 HD12 LEU A 94 27.817 43.785 -19.069 1.00 0.00 H new ATOM 0 HD13 LEU A 94 26.956 42.292 -18.624 1.00 0.00 H new ATOM 0 HD21 LEU A 94 27.205 40.908 -21.350 1.00 0.00 H new ATOM 0 HD22 LEU A 94 25.735 40.989 -20.350 1.00 0.00 H new ATOM 0 HD23 LEU A 94 25.695 41.551 -22.038 1.00 0.00 H new ATOM 1366 N THR A 95 26.273 43.797 -23.297 1.00 0.00 N ATOM 1367 CA THR A 95 27.138 44.271 -24.371 1.00 0.00 C ATOM 1368 C THR A 95 26.326 44.584 -25.621 1.00 0.00 C ATOM 1369 O THR A 95 25.396 43.854 -25.969 1.00 0.00 O ATOM 1370 CB THR A 95 28.187 43.205 -24.696 1.00 0.00 C ATOM 1371 OG1 THR A 95 29.087 43.709 -25.672 1.00 0.00 O ATOM 1372 CG2 THR A 95 27.492 41.954 -25.235 1.00 0.00 C ATOM 0 H THR A 95 26.422 42.821 -23.039 1.00 0.00 H new ATOM 0 HA THR A 95 27.632 45.184 -24.039 1.00 0.00 H new ATOM 0 HB THR A 95 28.740 42.950 -23.792 1.00 0.00 H new ATOM 0 HG1 THR A 95 29.760 43.027 -25.879 1.00 0.00 H new ATOM 0 HG21 THR A 95 28.239 41.194 -25.467 1.00 0.00 H new ATOM 0 HG22 THR A 95 26.803 41.568 -24.484 1.00 0.00 H new ATOM 0 HG23 THR A 95 26.938 42.206 -26.139 1.00 0.00 H new ATOM 1380 N HIS A 96 26.683 45.672 -26.292 1.00 0.00 N ATOM 1381 CA HIS A 96 25.983 46.075 -27.504 1.00 0.00 C ATOM 1382 C HIS A 96 26.499 47.424 -27.993 1.00 0.00 C ATOM 1383 O HIS A 96 27.430 47.988 -27.419 1.00 0.00 O ATOM 1384 CB HIS A 96 24.481 46.173 -27.235 1.00 0.00 C ATOM 1385 CG HIS A 96 24.255 46.720 -25.852 1.00 0.00 C ATOM 1386 ND1 HIS A 96 23.075 46.510 -25.156 1.00 0.00 N ATOM 1387 CD2 HIS A 96 25.050 47.470 -25.022 1.00 0.00 C ATOM 1388 CE1 HIS A 96 23.192 47.121 -23.963 1.00 0.00 C ATOM 1389 NE2 HIS A 96 24.378 47.723 -23.831 1.00 0.00 N ATOM 0 H HIS A 96 27.449 46.288 -26.019 1.00 0.00 H new ATOM 0 HA HIS A 96 26.166 45.324 -28.272 1.00 0.00 H new ATOM 0 HB2 HIS A 96 24.009 46.819 -27.975 1.00 0.00 H new ATOM 0 HB3 HIS A 96 24.019 45.190 -27.329 1.00 0.00 H new ATOM 0 HD2 HIS A 96 26.047 47.812 -25.258 1.00 0.00 H new ATOM 0 HE1 HIS A 96 22.422 47.125 -23.205 1.00 0.00 H new ATOM 0 HE2 HIS A 96 24.717 48.254 -23.029 1.00 0.00 H new ATOM 1397 N ASP A 97 25.884 47.934 -29.053 1.00 0.00 N ATOM 1398 CA ASP A 97 26.284 49.219 -29.612 1.00 0.00 C ATOM 1399 C ASP A 97 27.801 49.326 -29.693 1.00 0.00 C ATOM 1400 O ASP A 97 28.450 49.805 -28.764 1.00 0.00 O ATOM 1401 CB ASP A 97 25.739 50.356 -28.745 1.00 0.00 C ATOM 1402 CG ASP A 97 25.190 51.468 -29.631 1.00 0.00 C ATOM 1403 OD1 ASP A 97 25.972 52.064 -30.353 1.00 0.00 O ATOM 1404 OD2 ASP A 97 23.995 51.707 -29.574 1.00 0.00 O ATOM 0 H ASP A 97 25.111 47.481 -29.540 1.00 0.00 H new ATOM 0 HA ASP A 97 25.874 49.296 -30.619 1.00 0.00 H new ATOM 0 HB2 ASP A 97 24.953 49.980 -28.089 1.00 0.00 H new ATOM 0 HB3 ASP A 97 26.529 50.747 -28.104 1.00 0.00 H new ATOM 1409 N ASN A 98 28.360 48.882 -30.813 1.00 0.00 N ATOM 1410 CA ASN A 98 29.803 48.941 -31.007 1.00 0.00 C ATOM 1411 C ASN A 98 30.173 50.168 -31.831 1.00 0.00 C ATOM 1412 O ASN A 98 29.395 50.613 -32.676 1.00 0.00 O ATOM 1413 CB ASN A 98 30.286 47.676 -31.720 1.00 0.00 C ATOM 1414 CG ASN A 98 29.447 47.431 -32.969 1.00 0.00 C ATOM 1415 OD1 ASN A 98 28.221 47.534 -32.925 1.00 0.00 O ATOM 1416 ND2 ASN A 98 30.038 47.111 -34.087 1.00 0.00 N ATOM 0 H ASN A 98 27.841 48.481 -31.594 1.00 0.00 H new ATOM 0 HA ASN A 98 30.285 49.010 -30.032 1.00 0.00 H new ATOM 0 HB2 ASN A 98 31.336 47.780 -31.992 1.00 0.00 H new ATOM 0 HB3 ASN A 98 30.214 46.820 -31.049 1.00 0.00 H new ATOM 0 HD21 ASN A 98 29.484 46.945 -34.927 1.00 0.00 H new ATOM 0 HD22 ASN A 98 31.054 47.026 -34.121 1.00 0.00 H new ATOM 1423 N LYS A 99 31.356 50.719 -31.581 1.00 0.00 N ATOM 1424 CA LYS A 99 31.795 51.900 -32.312 1.00 0.00 C ATOM 1425 C LYS A 99 33.285 51.834 -32.626 1.00 0.00 C ATOM 1426 O LYS A 99 34.069 51.256 -31.877 1.00 0.00 O ATOM 1427 CB LYS A 99 31.494 53.155 -31.492 1.00 0.00 C ATOM 1428 CG LYS A 99 31.595 54.393 -32.383 1.00 0.00 C ATOM 1429 CD LYS A 99 30.308 54.558 -33.194 1.00 0.00 C ATOM 1430 CE LYS A 99 29.108 54.670 -32.251 1.00 0.00 C ATOM 1431 NZ LYS A 99 28.098 55.590 -32.844 1.00 0.00 N ATOM 0 H LYS A 99 32.019 50.372 -30.888 1.00 0.00 H new ATOM 0 HA LYS A 99 31.251 51.938 -33.256 1.00 0.00 H new ATOM 0 HB2 LYS A 99 30.496 53.087 -31.060 1.00 0.00 H new ATOM 0 HB3 LYS A 99 32.196 53.235 -30.662 1.00 0.00 H new ATOM 0 HG2 LYS A 99 31.766 55.279 -31.771 1.00 0.00 H new ATOM 0 HG3 LYS A 99 32.449 54.300 -33.054 1.00 0.00 H new ATOM 0 HD2 LYS A 99 30.374 55.448 -33.820 1.00 0.00 H new ATOM 0 HD3 LYS A 99 30.178 53.707 -33.863 1.00 0.00 H new ATOM 0 HE2 LYS A 99 28.668 53.687 -32.086 1.00 0.00 H new ATOM 0 HE3 LYS A 99 29.429 55.043 -31.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 27.281 55.668 -32.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 28.522 56.530 -32.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 27.784 55.216 -33.762 1.00 0.00 H new ATOM 1445 N ASP A 100 33.663 52.434 -33.748 1.00 0.00 N ATOM 1446 CA ASP A 100 35.057 52.441 -34.170 1.00 0.00 C ATOM 1447 C ASP A 100 35.948 53.106 -33.123 1.00 0.00 C ATOM 1448 O ASP A 100 37.172 52.979 -33.173 1.00 0.00 O ATOM 1449 CB ASP A 100 35.191 53.186 -35.500 1.00 0.00 C ATOM 1450 CG ASP A 100 34.522 54.553 -35.405 1.00 0.00 C ATOM 1451 OD1 ASP A 100 35.132 55.453 -34.851 1.00 0.00 O ATOM 1452 OD2 ASP A 100 33.409 54.680 -35.888 1.00 0.00 O ATOM 0 H ASP A 100 33.026 52.920 -34.379 1.00 0.00 H new ATOM 0 HA ASP A 100 35.380 51.407 -34.290 1.00 0.00 H new ATOM 0 HB2 ASP A 100 36.244 53.305 -35.755 1.00 0.00 H new ATOM 0 HB3 ASP A 100 34.734 52.603 -36.300 1.00 0.00 H new ATOM 1457 N ASP A 101 35.336 53.823 -32.184 1.00 0.00 N ATOM 1458 CA ASP A 101 36.112 54.504 -31.152 1.00 0.00 C ATOM 1459 C ASP A 101 36.912 53.504 -30.323 1.00 0.00 C ATOM 1460 O ASP A 101 38.146 53.528 -30.336 1.00 0.00 O ATOM 1461 CB ASP A 101 35.177 55.293 -30.233 1.00 0.00 C ATOM 1462 CG ASP A 101 35.792 56.649 -29.902 1.00 0.00 C ATOM 1463 OD1 ASP A 101 35.569 57.580 -30.657 1.00 0.00 O ATOM 1464 OD2 ASP A 101 36.476 56.735 -28.895 1.00 0.00 O ATOM 0 H ASP A 101 34.326 53.946 -32.116 1.00 0.00 H new ATOM 0 HA ASP A 101 36.807 55.185 -31.643 1.00 0.00 H new ATOM 0 HB2 ASP A 101 34.210 55.431 -30.717 1.00 0.00 H new ATOM 0 HB3 ASP A 101 34.997 54.732 -29.316 1.00 0.00 H new ATOM 1469 N LEU A 102 36.221 52.605 -29.622 1.00 0.00 N ATOM 1470 CA LEU A 102 36.934 51.612 -28.829 1.00 0.00 C ATOM 1471 C LEU A 102 37.325 50.419 -29.682 1.00 0.00 C ATOM 1472 O LEU A 102 38.237 49.696 -29.329 1.00 0.00 O ATOM 1473 CB LEU A 102 36.161 51.157 -27.572 1.00 0.00 C ATOM 1474 CG LEU A 102 34.787 50.554 -27.901 1.00 0.00 C ATOM 1475 CD1 LEU A 102 33.941 51.554 -28.680 1.00 0.00 C ATOM 1476 CD2 LEU A 102 34.952 49.266 -28.712 1.00 0.00 C ATOM 0 H LEU A 102 35.203 52.545 -29.588 1.00 0.00 H new ATOM 0 HA LEU A 102 37.837 52.104 -28.469 1.00 0.00 H new ATOM 0 HB2 LEU A 102 36.756 50.420 -27.033 1.00 0.00 H new ATOM 0 HB3 LEU A 102 36.028 52.009 -26.905 1.00 0.00 H new ATOM 0 HG LEU A 102 34.281 50.319 -26.965 1.00 0.00 H new ATOM 0 HD11 LEU A 102 32.971 51.112 -28.906 1.00 0.00 H new ATOM 0 HD12 LEU A 102 33.799 52.454 -28.082 1.00 0.00 H new ATOM 0 HD13 LEU A 102 34.447 51.812 -29.610 1.00 0.00 H new ATOM 0 HD21 LEU A 102 33.970 48.850 -28.938 1.00 0.00 H new ATOM 0 HD22 LEU A 102 35.475 49.486 -29.642 1.00 0.00 H new ATOM 0 HD23 LEU A 102 35.528 48.543 -28.134 1.00 0.00 H new ATOM 1488 N GLN A 103 36.661 50.217 -30.816 1.00 0.00 N ATOM 1489 CA GLN A 103 37.021 49.095 -31.677 1.00 0.00 C ATOM 1490 C GLN A 103 38.387 49.355 -32.269 1.00 0.00 C ATOM 1491 O GLN A 103 39.193 48.445 -32.461 1.00 0.00 O ATOM 1492 CB GLN A 103 36.001 48.923 -32.805 1.00 0.00 C ATOM 1493 CG GLN A 103 35.260 47.595 -32.630 1.00 0.00 C ATOM 1494 CD GLN A 103 34.016 47.569 -33.511 1.00 0.00 C ATOM 1495 OE1 GLN A 103 33.735 48.538 -34.217 1.00 0.00 O ATOM 1496 NE2 GLN A 103 33.250 46.512 -33.515 1.00 0.00 N ATOM 0 H GLN A 103 35.893 50.797 -31.154 1.00 0.00 H new ATOM 0 HA GLN A 103 37.031 48.181 -31.083 1.00 0.00 H new ATOM 0 HB2 GLN A 103 35.292 49.751 -32.797 1.00 0.00 H new ATOM 0 HB3 GLN A 103 36.505 48.945 -33.771 1.00 0.00 H new ATOM 0 HG2 GLN A 103 35.917 46.766 -32.891 1.00 0.00 H new ATOM 0 HG3 GLN A 103 34.978 47.462 -31.586 1.00 0.00 H new ATOM 0 HE21 GLN A 103 33.484 45.710 -32.930 1.00 0.00 H new ATOM 0 HE22 GLN A 103 32.417 46.488 -34.104 1.00 0.00 H new ATOM 1505 N ALA A 104 38.626 50.619 -32.548 1.00 0.00 N ATOM 1506 CA ALA A 104 39.878 51.040 -33.118 1.00 0.00 C ATOM 1507 C ALA A 104 40.941 51.173 -32.037 1.00 0.00 C ATOM 1508 O ALA A 104 42.038 50.635 -32.170 1.00 0.00 O ATOM 1509 CB ALA A 104 39.686 52.371 -33.839 1.00 0.00 C ATOM 0 H ALA A 104 37.960 51.375 -32.386 1.00 0.00 H new ATOM 0 HA ALA A 104 40.213 50.288 -33.832 1.00 0.00 H new ATOM 0 HB1 ALA A 104 40.634 52.691 -34.271 1.00 0.00 H new ATOM 0 HB2 ALA A 104 38.948 52.252 -34.632 1.00 0.00 H new ATOM 0 HB3 ALA A 104 39.339 53.122 -33.130 1.00 0.00 H new ATOM 1515 N ALA A 105 40.612 51.875 -30.958 1.00 0.00 N ATOM 1516 CA ALA A 105 41.565 52.033 -29.868 1.00 0.00 C ATOM 1517 C ALA A 105 41.911 50.660 -29.305 1.00 0.00 C ATOM 1518 O ALA A 105 43.073 50.361 -29.022 1.00 0.00 O ATOM 1519 CB ALA A 105 40.968 52.910 -28.766 1.00 0.00 C ATOM 0 H ALA A 105 39.712 52.334 -30.816 1.00 0.00 H new ATOM 0 HA ALA A 105 42.467 52.514 -30.245 1.00 0.00 H new ATOM 0 HB1 ALA A 105 41.690 53.020 -27.957 1.00 0.00 H new ATOM 0 HB2 ALA A 105 40.727 53.892 -29.173 1.00 0.00 H new ATOM 0 HB3 ALA A 105 40.061 52.444 -28.381 1.00 0.00 H new ATOM 1525 N ILE A 106 40.886 49.828 -29.159 1.00 0.00 N ATOM 1526 CA ILE A 106 41.063 48.479 -28.642 1.00 0.00 C ATOM 1527 C ILE A 106 41.896 47.645 -29.591 1.00 0.00 C ATOM 1528 O ILE A 106 42.837 46.988 -29.179 1.00 0.00 O ATOM 1529 CB ILE A 106 39.726 47.791 -28.477 1.00 0.00 C ATOM 1530 CG1 ILE A 106 38.920 48.462 -27.357 1.00 0.00 C ATOM 1531 CG2 ILE A 106 39.963 46.324 -28.130 1.00 0.00 C ATOM 1532 CD1 ILE A 106 39.298 47.842 -26.011 1.00 0.00 C ATOM 0 H ILE A 106 39.922 50.066 -29.392 1.00 0.00 H new ATOM 0 HA ILE A 106 41.565 48.566 -27.678 1.00 0.00 H new ATOM 0 HB ILE A 106 39.163 47.867 -29.407 1.00 0.00 H new ATOM 0 HG12 ILE A 106 39.119 49.534 -27.344 1.00 0.00 H new ATOM 0 HG13 ILE A 106 37.852 48.338 -27.539 1.00 0.00 H new ATOM 0 HG21 ILE A 106 39.004 45.819 -28.009 1.00 0.00 H new ATOM 0 HG22 ILE A 106 40.526 45.847 -28.932 1.00 0.00 H new ATOM 0 HG23 ILE A 106 40.528 46.257 -27.201 1.00 0.00 H new ATOM 0 HD11 ILE A 106 38.725 48.320 -25.217 1.00 0.00 H new ATOM 0 HD12 ILE A 106 39.077 46.775 -26.027 1.00 0.00 H new ATOM 0 HD13 ILE A 106 40.363 47.989 -25.829 1.00 0.00 H new ATOM 1544 N ALA A 107 41.518 47.657 -30.862 1.00 0.00 N ATOM 1545 CA ALA A 107 42.228 46.879 -31.864 1.00 0.00 C ATOM 1546 C ALA A 107 43.682 47.326 -31.970 1.00 0.00 C ATOM 1547 O ALA A 107 44.598 46.505 -31.968 1.00 0.00 O ATOM 1548 CB ALA A 107 41.538 47.045 -33.212 1.00 0.00 C ATOM 0 H ALA A 107 40.728 48.194 -31.221 1.00 0.00 H new ATOM 0 HA ALA A 107 42.214 45.830 -31.567 1.00 0.00 H new ATOM 0 HB1 ALA A 107 42.068 46.463 -33.966 1.00 0.00 H new ATOM 0 HB2 ALA A 107 40.509 46.694 -33.140 1.00 0.00 H new ATOM 0 HB3 ALA A 107 41.543 48.097 -33.496 1.00 0.00 H new ATOM 1554 N LEU A 108 43.883 48.633 -32.061 1.00 0.00 N ATOM 1555 CA LEU A 108 45.227 49.186 -32.170 1.00 0.00 C ATOM 1556 C LEU A 108 46.079 48.776 -30.974 1.00 0.00 C ATOM 1557 O LEU A 108 47.243 48.405 -31.127 1.00 0.00 O ATOM 1558 CB LEU A 108 45.156 50.713 -32.246 1.00 0.00 C ATOM 1559 CG LEU A 108 46.570 51.288 -32.342 1.00 0.00 C ATOM 1560 CD1 LEU A 108 47.334 50.589 -33.468 1.00 0.00 C ATOM 1561 CD2 LEU A 108 46.491 52.788 -32.633 1.00 0.00 C ATOM 0 H LEU A 108 43.137 49.328 -32.062 1.00 0.00 H new ATOM 0 HA LEU A 108 45.686 48.794 -33.078 1.00 0.00 H new ATOM 0 HB2 LEU A 108 44.569 51.017 -33.113 1.00 0.00 H new ATOM 0 HB3 LEU A 108 44.651 51.108 -31.365 1.00 0.00 H new ATOM 0 HG LEU A 108 47.091 51.127 -31.398 1.00 0.00 H new ATOM 0 HD11 LEU A 108 48.341 51.000 -33.534 1.00 0.00 H new ATOM 0 HD12 LEU A 108 47.391 49.521 -33.260 1.00 0.00 H new ATOM 0 HD13 LEU A 108 46.814 50.747 -34.413 1.00 0.00 H new ATOM 0 HD21 LEU A 108 47.498 53.199 -32.702 1.00 0.00 H new ATOM 0 HD22 LEU A 108 45.969 52.949 -33.576 1.00 0.00 H new ATOM 0 HD23 LEU A 108 45.950 53.287 -31.829 1.00 0.00 H new ATOM 1573 N SER A 109 45.496 48.854 -29.782 1.00 0.00 N ATOM 1574 CA SER A 109 46.217 48.497 -28.564 1.00 0.00 C ATOM 1575 C SER A 109 46.189 46.992 -28.329 1.00 0.00 C ATOM 1576 O SER A 109 46.998 46.454 -27.573 1.00 0.00 O ATOM 1577 CB SER A 109 45.588 49.206 -27.369 1.00 0.00 C ATOM 1578 OG SER A 109 46.434 50.270 -26.954 1.00 0.00 O ATOM 0 H SER A 109 44.534 49.159 -29.633 1.00 0.00 H new ATOM 0 HA SER A 109 47.255 48.810 -28.680 1.00 0.00 H new ATOM 0 HB2 SER A 109 44.604 49.592 -27.637 1.00 0.00 H new ATOM 0 HB3 SER A 109 45.442 48.502 -26.550 1.00 0.00 H new ATOM 0 HG SER A 109 46.031 50.728 -26.187 1.00 0.00 H new ATOM 1584 N LEU A 110 45.250 46.326 -28.975 1.00 0.00 N ATOM 1585 CA LEU A 110 45.112 44.882 -28.829 1.00 0.00 C ATOM 1586 C LEU A 110 46.019 44.182 -29.834 1.00 0.00 C ATOM 1587 O LEU A 110 46.310 42.992 -29.711 1.00 0.00 O ATOM 1588 CB LEU A 110 43.645 44.471 -29.043 1.00 0.00 C ATOM 1589 CG LEU A 110 43.547 42.957 -29.241 1.00 0.00 C ATOM 1590 CD1 LEU A 110 42.273 42.438 -28.576 1.00 0.00 C ATOM 1591 CD2 LEU A 110 43.502 42.639 -30.739 1.00 0.00 C ATOM 0 H LEU A 110 44.572 46.756 -29.604 1.00 0.00 H new ATOM 0 HA LEU A 110 45.407 44.586 -27.822 1.00 0.00 H new ATOM 0 HB2 LEU A 110 43.046 44.773 -28.184 1.00 0.00 H new ATOM 0 HB3 LEU A 110 43.238 44.987 -29.913 1.00 0.00 H new ATOM 0 HG LEU A 110 44.416 42.476 -28.792 1.00 0.00 H new ATOM 0 HD11 LEU A 110 42.203 41.359 -28.717 1.00 0.00 H new ATOM 0 HD12 LEU A 110 42.301 42.664 -27.510 1.00 0.00 H new ATOM 0 HD13 LEU A 110 41.405 42.920 -29.026 1.00 0.00 H new ATOM 0 HD21 LEU A 110 43.432 41.560 -30.880 1.00 0.00 H new ATOM 0 HD22 LEU A 110 42.633 43.121 -31.187 1.00 0.00 H new ATOM 0 HD23 LEU A 110 44.409 43.009 -31.217 1.00 0.00 H new ATOM 1603 N LEU A 111 46.472 44.942 -30.824 1.00 0.00 N ATOM 1604 CA LEU A 111 47.357 44.406 -31.852 1.00 0.00 C ATOM 1605 C LEU A 111 48.770 44.241 -31.306 1.00 0.00 C ATOM 1606 O LEU A 111 49.580 43.496 -31.859 1.00 0.00 O ATOM 1607 CB LEU A 111 47.380 45.348 -33.059 1.00 0.00 C ATOM 1608 CG LEU A 111 46.718 44.669 -34.261 1.00 0.00 C ATOM 1609 CD1 LEU A 111 45.269 44.321 -33.918 1.00 0.00 C ATOM 1610 CD2 LEU A 111 46.742 45.621 -35.458 1.00 0.00 C ATOM 0 H LEU A 111 46.242 45.929 -30.937 1.00 0.00 H new ATOM 0 HA LEU A 111 46.982 43.430 -32.159 1.00 0.00 H new ATOM 0 HB2 LEU A 111 46.857 46.274 -32.819 1.00 0.00 H new ATOM 0 HB3 LEU A 111 48.408 45.617 -33.302 1.00 0.00 H new ATOM 0 HG LEU A 111 47.261 43.757 -34.508 1.00 0.00 H new ATOM 0 HD11 LEU A 111 44.798 43.838 -34.774 1.00 0.00 H new ATOM 0 HD12 LEU A 111 45.250 43.644 -33.064 1.00 0.00 H new ATOM 0 HD13 LEU A 111 44.724 45.232 -33.671 1.00 0.00 H new ATOM 0 HD21 LEU A 111 46.271 45.140 -36.315 1.00 0.00 H new ATOM 0 HD22 LEU A 111 46.198 46.532 -35.209 1.00 0.00 H new ATOM 0 HD23 LEU A 111 47.774 45.871 -35.704 1.00 0.00 H new ATOM 1622 N GLU A 112 49.055 44.945 -30.222 1.00 0.00 N ATOM 1623 CA GLU A 112 50.375 44.880 -29.600 1.00 0.00 C ATOM 1624 C GLU A 112 50.277 44.341 -28.182 1.00 0.00 C ATOM 1625 O GLU A 112 51.260 43.867 -27.612 1.00 0.00 O ATOM 1626 CB GLU A 112 51.004 46.272 -29.569 1.00 0.00 C ATOM 1627 CG GLU A 112 51.769 46.518 -30.872 1.00 0.00 C ATOM 1628 CD GLU A 112 52.636 47.765 -30.739 1.00 0.00 C ATOM 1629 OE1 GLU A 112 53.553 47.741 -29.934 1.00 0.00 O ATOM 1630 OE2 GLU A 112 52.371 48.725 -31.443 1.00 0.00 O ATOM 0 H GLU A 112 48.396 45.566 -29.754 1.00 0.00 H new ATOM 0 HA GLU A 112 50.998 44.207 -30.190 1.00 0.00 H new ATOM 0 HB2 GLU A 112 50.230 47.029 -29.441 1.00 0.00 H new ATOM 0 HB3 GLU A 112 51.679 46.359 -28.717 1.00 0.00 H new ATOM 0 HG2 GLU A 112 52.392 45.655 -31.106 1.00 0.00 H new ATOM 0 HG3 GLU A 112 51.068 46.639 -31.698 1.00 0.00 H new ATOM 1637 N SER A 113 49.082 44.412 -27.625 1.00 0.00 N ATOM 1638 CA SER A 113 48.845 43.927 -26.274 1.00 0.00 C ATOM 1639 C SER A 113 49.655 44.735 -25.260 1.00 0.00 C ATOM 1640 O SER A 113 50.606 45.428 -25.621 1.00 0.00 O ATOM 1641 CB SER A 113 49.234 42.456 -26.194 1.00 0.00 C ATOM 1642 OG SER A 113 48.179 41.722 -25.591 1.00 0.00 O ATOM 0 H SER A 113 48.259 44.801 -28.086 1.00 0.00 H new ATOM 0 HA SER A 113 47.787 44.042 -26.037 1.00 0.00 H new ATOM 0 HB2 SER A 113 49.438 42.068 -27.192 1.00 0.00 H new ATOM 0 HB3 SER A 113 50.150 42.341 -25.614 1.00 0.00 H new ATOM 0 HG SER A 113 48.427 40.775 -25.540 1.00 0.00 H new ATOM 1648 N PRO A 114 49.291 44.656 -24.006 1.00 0.00 N ATOM 1649 CA PRO A 114 49.987 45.391 -22.913 1.00 0.00 C ATOM 1650 C PRO A 114 51.507 45.336 -23.046 1.00 0.00 C ATOM 1651 O PRO A 114 52.046 44.564 -23.838 1.00 0.00 O ATOM 1652 CB PRO A 114 49.523 44.670 -21.648 1.00 0.00 C ATOM 1653 CG PRO A 114 48.180 44.111 -21.983 1.00 0.00 C ATOM 1654 CD PRO A 114 48.172 43.850 -23.493 1.00 0.00 C ATOM 0 HA PRO A 114 49.748 46.455 -22.920 1.00 0.00 H new ATOM 0 HB2 PRO A 114 50.219 43.880 -21.368 1.00 0.00 H new ATOM 0 HB3 PRO A 114 49.464 45.356 -20.803 1.00 0.00 H new ATOM 0 HG2 PRO A 114 47.996 43.189 -21.431 1.00 0.00 H new ATOM 0 HG3 PRO A 114 47.391 44.810 -21.708 1.00 0.00 H new ATOM 0 HD2 PRO A 114 48.309 42.792 -23.715 1.00 0.00 H new ATOM 0 HD3 PRO A 114 47.226 44.150 -23.944 1.00 0.00 H new ATOM 1662 N LYS A 115 52.188 46.161 -22.261 1.00 0.00 N ATOM 1663 CA LYS A 115 53.644 46.207 -22.289 1.00 0.00 C ATOM 1664 C LYS A 115 54.200 46.277 -20.876 1.00 0.00 C ATOM 1665 O LYS A 115 54.750 45.305 -20.357 1.00 0.00 O ATOM 1666 CB LYS A 115 54.110 47.428 -23.083 1.00 0.00 C ATOM 1667 CG LYS A 115 55.596 47.286 -23.412 1.00 0.00 C ATOM 1668 CD LYS A 115 55.770 46.304 -24.571 1.00 0.00 C ATOM 1669 CE LYS A 115 56.239 47.061 -25.815 1.00 0.00 C ATOM 1670 NZ LYS A 115 57.705 47.304 -25.725 1.00 0.00 N ATOM 0 H LYS A 115 51.757 46.806 -21.599 1.00 0.00 H new ATOM 0 HA LYS A 115 54.011 45.300 -22.768 1.00 0.00 H new ATOM 0 HB2 LYS A 115 53.531 47.520 -24.002 1.00 0.00 H new ATOM 0 HB3 LYS A 115 53.940 48.337 -22.506 1.00 0.00 H new ATOM 0 HG2 LYS A 115 56.015 48.257 -23.678 1.00 0.00 H new ATOM 0 HG3 LYS A 115 56.141 46.932 -22.537 1.00 0.00 H new ATOM 0 HD2 LYS A 115 56.496 45.536 -24.305 1.00 0.00 H new ATOM 0 HD3 LYS A 115 54.828 45.795 -24.775 1.00 0.00 H new ATOM 0 HE2 LYS A 115 56.009 46.486 -26.712 1.00 0.00 H new ATOM 0 HE3 LYS A 115 55.707 48.009 -25.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 58.024 47.819 -26.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 57.912 47.869 -24.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 58.205 46.394 -25.665 1.00 0.00 H new ATOM 1684 N ILE A 116 54.047 47.437 -20.268 1.00 0.00 N ATOM 1685 CA ILE A 116 54.528 47.659 -18.908 1.00 0.00 C ATOM 1686 C ILE A 116 53.363 47.957 -17.971 1.00 0.00 C ATOM 1687 O ILE A 116 52.482 47.120 -17.773 1.00 0.00 O ATOM 1688 CB ILE A 116 55.517 48.826 -18.891 1.00 0.00 C ATOM 1689 CG1 ILE A 116 56.736 48.466 -19.743 1.00 0.00 C ATOM 1690 CG2 ILE A 116 55.961 49.105 -17.453 1.00 0.00 C ATOM 1691 CD1 ILE A 116 57.753 49.606 -19.686 1.00 0.00 C ATOM 0 H ILE A 116 53.593 48.246 -20.691 1.00 0.00 H new ATOM 0 HA ILE A 116 55.030 46.754 -18.565 1.00 0.00 H new ATOM 0 HB ILE A 116 55.037 49.716 -19.297 1.00 0.00 H new ATOM 0 HG12 ILE A 116 57.188 47.543 -19.379 1.00 0.00 H new ATOM 0 HG13 ILE A 116 56.432 48.287 -20.774 1.00 0.00 H new ATOM 0 HG21 ILE A 116 56.665 49.937 -17.445 1.00 0.00 H new ATOM 0 HG22 ILE A 116 55.092 49.360 -16.847 1.00 0.00 H new ATOM 0 HG23 ILE A 116 56.443 48.218 -17.042 1.00 0.00 H new ATOM 0 HD11 ILE A 116 58.621 49.350 -20.293 1.00 0.00 H new ATOM 0 HD12 ILE A 116 57.298 50.519 -20.071 1.00 0.00 H new ATOM 0 HD13 ILE A 116 58.066 49.763 -18.654 1.00 0.00 H new ATOM 1703 N GLN A 117 53.363 49.155 -17.397 1.00 0.00 N ATOM 1704 CA GLN A 117 52.300 49.554 -16.483 1.00 0.00 C ATOM 1705 C GLN A 117 51.427 50.632 -17.118 1.00 0.00 C ATOM 1706 O GLN A 117 50.887 51.494 -16.426 1.00 0.00 O ATOM 1707 CB GLN A 117 52.902 50.081 -15.179 1.00 0.00 C ATOM 1708 CG GLN A 117 53.413 51.507 -15.391 1.00 0.00 C ATOM 1709 CD GLN A 117 54.562 51.796 -14.433 1.00 0.00 C ATOM 1710 OE1 GLN A 117 55.299 52.764 -14.620 1.00 0.00 O ATOM 1711 NE2 GLN A 117 54.762 51.008 -13.412 1.00 0.00 N ATOM 0 H GLN A 117 54.082 49.862 -17.547 1.00 0.00 H new ATOM 0 HA GLN A 117 51.682 48.682 -16.269 1.00 0.00 H new ATOM 0 HB2 GLN A 117 52.152 50.066 -14.388 1.00 0.00 H new ATOM 0 HB3 GLN A 117 53.719 49.435 -14.856 1.00 0.00 H new ATOM 0 HG2 GLN A 117 53.747 51.633 -16.421 1.00 0.00 H new ATOM 0 HG3 GLN A 117 52.605 52.220 -15.228 1.00 0.00 H new ATOM 0 HE21 GLN A 117 54.150 50.206 -13.259 1.00 0.00 H new ATOM 0 HE22 GLN A 117 55.530 51.194 -12.767 1.00 0.00 H new ATOM 1720 N ALA A 118 51.297 50.577 -18.439 1.00 0.00 N ATOM 1721 CA ALA A 118 50.488 51.552 -19.160 1.00 0.00 C ATOM 1722 C ALA A 118 49.006 51.261 -18.974 1.00 0.00 C ATOM 1723 O ALA A 118 48.400 51.664 -17.981 1.00 0.00 O ATOM 1724 CB ALA A 118 50.836 51.522 -20.650 1.00 0.00 C ATOM 0 H ALA A 118 51.739 49.872 -19.029 1.00 0.00 H new ATOM 0 HA ALA A 118 50.704 52.542 -18.758 1.00 0.00 H new ATOM 0 HB1 ALA A 118 50.227 52.254 -21.181 1.00 0.00 H new ATOM 0 HB2 ALA A 118 51.891 51.764 -20.782 1.00 0.00 H new ATOM 0 HB3 ALA A 118 50.639 50.527 -21.050 1.00 0.00 H new ATOM 1730 N ASP A 119 48.432 50.557 -19.937 1.00 0.00 N ATOM 1731 CA ASP A 119 47.018 50.209 -19.883 1.00 0.00 C ATOM 1732 C ASP A 119 46.755 49.231 -18.742 1.00 0.00 C ATOM 1733 O ASP A 119 45.712 49.287 -18.093 1.00 0.00 O ATOM 1734 CB ASP A 119 46.580 49.575 -21.205 1.00 0.00 C ATOM 1735 CG ASP A 119 47.132 50.378 -22.378 1.00 0.00 C ATOM 1736 OD1 ASP A 119 46.497 51.349 -22.756 1.00 0.00 O ATOM 1737 OD2 ASP A 119 48.179 50.009 -22.883 1.00 0.00 O ATOM 0 H ASP A 119 48.921 50.215 -20.764 1.00 0.00 H new ATOM 0 HA ASP A 119 46.446 51.121 -19.712 1.00 0.00 H new ATOM 0 HB2 ASP A 119 46.935 48.546 -21.259 1.00 0.00 H new ATOM 0 HB3 ASP A 119 45.492 49.540 -21.258 1.00 0.00 H new ATOM 1742 N GLY A 120 47.709 48.338 -18.505 1.00 0.00 N ATOM 1743 CA GLY A 120 47.568 47.354 -17.440 1.00 0.00 C ATOM 1744 C GLY A 120 48.598 47.589 -16.340 1.00 0.00 C ATOM 1745 O GLY A 120 49.306 46.653 -16.009 1.00 0.00 O ATOM 0 H GLY A 120 48.581 48.275 -19.031 1.00 0.00 H new ATOM 0 HA2 GLY A 120 46.563 47.408 -17.020 1.00 0.00 H new ATOM 0 HA3 GLY A 120 47.689 46.351 -17.848 1.00 0.00 H new TER 1749 GLY A 120