USER MOD reduce.3.24.130724 H: found=0, std=0, add=998, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 994 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 39 ASN : amide:sc= -0.452 K(o=-0.5,f=-4.3!) USER MOD Set 1.2: A 42 GLN :FLIP amide:sc= -0.0444 F(o=-1,f=-0.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 1.23 (180deg=1) USER MOD Single : A 4 ASN :FLIP amide:sc= -1.01 F(o=-1.7,f=-1) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot -36:sc= 1.05 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00977 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.3 F(o=-2.2,f=-0.3) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0508 USER MOD Single : A 34 SER OG : rot 114:sc= 0.865 USER MOD Single : A 37 CYS SG : rot 10:sc= 0.212 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.0422 F(o=-1.7,f=-0.042) USER MOD Single : A 47 MET CE :methyl -118:sc= 0 (180deg=-0.359) USER MOD Single : A 53 GLN : amide:sc= -2.58! C(o=-2.6!,f=-2.6!) USER MOD Single : A 54 TYR OH : rot 30:sc= 0.302 USER MOD Single : A 60 ASN :FLIP amide:sc= -3.21! F(o=-3.8,f=-3.2!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 69 LYS NZ :NH3+ -149:sc= 1.98 (180deg=1.29) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -5.59! C(o=-5.6!,f=-7.5!) USER MOD Single : A 81 HIS : no HE2:sc= -0.165 K(o=-0.17,f=-4!) USER MOD Single : A 83 ASN : amide:sc= -2.12! C(o=-2.1!,f=-4.4!) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.263 F(o=-1.7,f=-0.26) USER MOD Single : A 88 TYR OH : rot -60:sc= -0.416 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -0.626 X(o=-0.63,f=-0.17) USER MOD Single : A 104 LYS NZ :NH3+ -141:sc= 1.32 (180deg=0.253) USER MOD Single : A 107 SER OG : rot -64:sc= 1.2 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 119 HIS :FLIP no HD1:sc= -0.613 F(o=-1.6!,f=-0.61) USER MOD Single : A 122 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.041) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0.012) USER MOD Single : A 129 GLN : amide:sc= -0.619 K(o=-0.62,f=-6!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.169 9.628 -13.491 1.00 0.00 N ATOM 2 CA MET A 1 -4.326 9.832 -14.376 1.00 0.00 C ATOM 3 C MET A 1 -5.234 10.915 -13.822 1.00 0.00 C ATOM 4 O MET A 1 -5.691 11.791 -14.549 1.00 0.00 O ATOM 5 CB MET A 1 -5.145 8.539 -14.545 1.00 0.00 C ATOM 6 CG MET A 1 -4.422 7.403 -15.245 1.00 0.00 C ATOM 7 SD MET A 1 -3.868 7.858 -16.896 1.00 0.00 S ATOM 8 CE MET A 1 -3.149 6.313 -17.444 1.00 0.00 C ATOM 0 H1 MET A 1 -2.439 9.083 -13.993 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.780 10.551 -13.210 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.468 9.106 -12.643 1.00 0.00 H new ATOM 0 HA MET A 1 -3.936 10.133 -15.349 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.459 8.196 -13.559 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.050 8.772 -15.105 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.563 7.099 -14.647 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.085 6.540 -15.312 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.759 6.431 -18.455 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.338 6.031 -16.773 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.912 5.534 -17.438 1.00 0.00 H new ATOM 20 N GLY A 2 -5.478 10.855 -12.547 1.00 0.00 N ATOM 21 CA GLY A 2 -6.371 11.764 -11.889 1.00 0.00 C ATOM 22 C GLY A 2 -7.065 10.993 -10.830 1.00 0.00 C ATOM 23 O GLY A 2 -8.270 10.749 -10.892 1.00 0.00 O ATOM 0 H GLY A 2 -5.057 10.164 -11.925 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.822 12.602 -11.460 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -7.088 12.181 -12.596 1.00 0.00 H new ATOM 27 N GLU A 3 -6.289 10.558 -9.888 1.00 0.00 N ATOM 28 CA GLU A 3 -6.737 9.653 -8.884 1.00 0.00 C ATOM 29 C GLU A 3 -7.720 10.298 -7.926 1.00 0.00 C ATOM 30 O GLU A 3 -7.589 11.451 -7.558 1.00 0.00 O ATOM 31 CB GLU A 3 -5.561 9.009 -8.135 1.00 0.00 C ATOM 32 CG GLU A 3 -4.649 8.103 -8.995 1.00 0.00 C ATOM 33 CD GLU A 3 -3.806 8.836 -10.006 1.00 0.00 C ATOM 34 OE1 GLU A 3 -2.742 9.357 -9.635 1.00 0.00 O ATOM 35 OE2 GLU A 3 -4.208 8.939 -11.176 1.00 0.00 O ATOM 0 H GLU A 3 -5.310 10.828 -9.796 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.274 8.856 -9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.952 9.801 -7.698 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.957 8.419 -7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.991 7.540 -8.333 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.271 7.377 -9.519 1.00 0.00 H new ATOM 42 N ASN A 4 -8.687 9.518 -7.515 1.00 0.00 N ATOM 43 CA ASN A 4 -9.759 9.959 -6.623 1.00 0.00 C ATOM 44 C ASN A 4 -9.570 9.259 -5.312 1.00 0.00 C ATOM 45 O ASN A 4 -10.508 9.087 -4.549 1.00 0.00 O ATOM 46 CB ASN A 4 -11.162 9.618 -7.198 1.00 0.00 C ATOM 47 CG ASN A 4 -11.662 10.528 -8.335 1.00 0.00 C ATOM 48 OD1 ASN A 4 -10.784 11.038 -9.171 1.00 0.00 O flip ATOM 49 ND2 ASN A 4 -12.857 10.747 -8.461 1.00 0.00 N flip ATOM 0 H ASN A 4 -8.764 8.539 -7.789 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.711 11.042 -6.508 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.144 8.591 -7.562 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.886 9.655 -6.384 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.522 10.342 -7.802 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -13.190 11.335 -9.225 1.00 0.00 H new ATOM 56 N LYS A 5 -8.301 8.908 -5.090 1.00 0.00 N ATOM 57 CA LYS A 5 -7.770 8.128 -3.947 1.00 0.00 C ATOM 58 C LYS A 5 -8.701 8.028 -2.730 1.00 0.00 C ATOM 59 O LYS A 5 -8.819 8.954 -1.922 1.00 0.00 O ATOM 60 CB LYS A 5 -6.363 8.636 -3.519 1.00 0.00 C ATOM 61 CG LYS A 5 -6.305 10.111 -3.104 1.00 0.00 C ATOM 62 CD LYS A 5 -4.941 10.490 -2.540 1.00 0.00 C ATOM 63 CE LYS A 5 -4.931 11.937 -2.053 1.00 0.00 C ATOM 64 NZ LYS A 5 -3.631 12.318 -1.454 1.00 0.00 N ATOM 0 H LYS A 5 -7.562 9.174 -5.740 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.692 7.110 -4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.011 8.026 -2.687 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.670 8.479 -4.345 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.529 10.740 -3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.074 10.308 -2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.687 9.824 -1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.177 10.355 -3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.152 12.601 -2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.723 12.076 -1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.671 13.308 -1.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.430 11.703 -0.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.878 12.211 -2.163 1.00 0.00 H new ATOM 78 N VAL A 6 -9.386 6.915 -2.632 1.00 0.00 N ATOM 79 CA VAL A 6 -10.232 6.677 -1.504 1.00 0.00 C ATOM 80 C VAL A 6 -9.408 6.206 -0.304 1.00 0.00 C ATOM 81 O VAL A 6 -8.818 5.147 -0.316 1.00 0.00 O ATOM 82 CB VAL A 6 -11.427 5.703 -1.822 1.00 0.00 C ATOM 83 CG1 VAL A 6 -10.966 4.344 -2.340 1.00 0.00 C ATOM 84 CG2 VAL A 6 -12.338 5.539 -0.614 1.00 0.00 C ATOM 0 H VAL A 6 -9.370 6.164 -3.323 1.00 0.00 H new ATOM 0 HA VAL A 6 -10.696 7.629 -1.245 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.995 6.169 -2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -11.835 3.717 -2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.396 4.479 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.338 3.863 -1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -13.154 4.861 -0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -11.767 5.129 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -12.746 6.510 -0.332 1.00 0.00 H new ATOM 94 N CYS A 7 -9.327 7.057 0.664 1.00 0.00 N ATOM 95 CA CYS A 7 -8.689 6.796 1.935 1.00 0.00 C ATOM 96 C CYS A 7 -9.778 6.262 2.834 1.00 0.00 C ATOM 97 O CYS A 7 -10.940 6.312 2.422 1.00 0.00 O ATOM 98 CB CYS A 7 -8.106 8.101 2.471 1.00 0.00 C ATOM 99 SG CYS A 7 -6.917 8.849 1.336 1.00 0.00 S ATOM 0 H CYS A 7 -9.717 7.997 0.599 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.870 6.081 1.864 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.916 8.806 2.659 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.619 7.911 3.428 1.00 0.00 H new ATOM 0 HG CYS A 7 -6.234 7.914 0.745 1.00 0.00 H new ATOM 105 N GLY A 8 -9.417 5.731 4.017 1.00 0.00 N ATOM 106 CA GLY A 8 -10.367 5.045 4.910 1.00 0.00 C ATOM 107 C GLY A 8 -11.736 5.675 4.971 1.00 0.00 C ATOM 108 O GLY A 8 -11.924 6.742 5.547 1.00 0.00 O ATOM 0 H GLY A 8 -8.464 5.765 4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.471 4.011 4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.947 5.020 5.916 1.00 0.00 H new ATOM 112 N LEU A 9 -12.660 5.011 4.353 1.00 0.00 N ATOM 113 CA LEU A 9 -14.010 5.439 4.230 1.00 0.00 C ATOM 114 C LEU A 9 -14.790 4.162 4.462 1.00 0.00 C ATOM 115 O LEU A 9 -14.311 3.088 4.089 1.00 0.00 O ATOM 116 CB LEU A 9 -14.201 6.003 2.795 1.00 0.00 C ATOM 117 CG LEU A 9 -15.329 7.021 2.551 1.00 0.00 C ATOM 118 CD1 LEU A 9 -15.234 7.581 1.146 1.00 0.00 C ATOM 119 CD2 LEU A 9 -16.676 6.404 2.749 1.00 0.00 C ATOM 0 H LEU A 9 -12.482 4.114 3.901 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.323 6.225 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.263 6.469 2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.366 5.158 2.126 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.209 7.825 3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.037 8.300 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.272 8.077 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.324 6.769 0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -17.449 7.151 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -16.803 5.576 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -16.760 6.035 3.771 1.00 0.00 H new ATOM 131 N THR A 10 -15.940 4.238 5.062 1.00 0.00 N ATOM 132 CA THR A 10 -16.602 3.025 5.501 1.00 0.00 C ATOM 133 C THR A 10 -17.826 2.775 4.692 1.00 0.00 C ATOM 134 O THR A 10 -18.326 1.660 4.589 1.00 0.00 O ATOM 135 CB THR A 10 -16.996 3.197 6.964 1.00 0.00 C ATOM 136 OG1 THR A 10 -17.708 4.440 7.087 1.00 0.00 O ATOM 137 CG2 THR A 10 -15.760 3.258 7.823 1.00 0.00 C ATOM 0 H THR A 10 -16.440 5.105 5.261 1.00 0.00 H new ATOM 0 HA THR A 10 -15.926 2.179 5.379 1.00 0.00 H new ATOM 0 HB THR A 10 -17.614 2.358 7.285 1.00 0.00 H new ATOM 0 HG1 THR A 10 -17.974 4.573 8.021 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.048 3.381 8.867 1.00 0.00 H new ATOM 0 HG22 THR A 10 -15.192 2.335 7.710 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.144 4.103 7.515 1.00 0.00 H new ATOM 145 N ARG A 11 -18.268 3.805 4.092 1.00 0.00 N ATOM 146 CA ARG A 11 -19.447 3.775 3.313 1.00 0.00 C ATOM 147 C ARG A 11 -19.115 3.331 1.896 1.00 0.00 C ATOM 148 O ARG A 11 -18.484 4.058 1.153 1.00 0.00 O ATOM 149 CB ARG A 11 -20.116 5.150 3.327 1.00 0.00 C ATOM 150 CG ARG A 11 -20.441 5.662 4.716 1.00 0.00 C ATOM 151 CD ARG A 11 -21.286 6.920 4.670 1.00 0.00 C ATOM 152 NE ARG A 11 -20.662 8.031 3.929 1.00 0.00 N ATOM 153 CZ ARG A 11 -21.230 9.239 3.764 1.00 0.00 C ATOM 154 NH1 ARG A 11 -22.420 9.490 4.295 1.00 0.00 N ATOM 155 NH2 ARG A 11 -20.618 10.169 3.047 1.00 0.00 N ATOM 0 H ARG A 11 -17.813 4.718 4.126 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.149 3.057 3.737 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.462 5.866 2.831 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -21.036 5.101 2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -20.970 4.889 5.273 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -19.515 5.866 5.254 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -22.246 6.684 4.212 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -21.491 7.246 5.690 1.00 0.00 H new ATOM 0 HE ARG A 11 -19.743 7.874 3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -22.903 8.767 4.828 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -22.851 10.406 4.170 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -19.714 9.970 2.619 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -21.051 11.084 2.923 1.00 0.00 H new ATOM 169 N GLY A 12 -19.517 2.125 1.555 1.00 0.00 N ATOM 170 CA GLY A 12 -19.269 1.540 0.241 1.00 0.00 C ATOM 171 C GLY A 12 -19.813 2.381 -0.886 1.00 0.00 C ATOM 172 O GLY A 12 -19.182 2.573 -1.923 1.00 0.00 O ATOM 0 H GLY A 12 -20.032 1.510 2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.196 1.408 0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -19.720 0.549 0.199 1.00 0.00 H new ATOM 176 N GLN A 13 -20.958 2.914 -0.632 1.00 0.00 N ATOM 177 CA GLN A 13 -21.710 3.715 -1.559 1.00 0.00 C ATOM 178 C GLN A 13 -21.082 5.081 -1.719 1.00 0.00 C ATOM 179 O GLN A 13 -21.365 5.809 -2.667 1.00 0.00 O ATOM 180 CB GLN A 13 -23.187 3.796 -1.133 1.00 0.00 C ATOM 181 CG GLN A 13 -24.028 2.529 -1.436 1.00 0.00 C ATOM 182 CD GLN A 13 -23.537 1.198 -0.811 1.00 0.00 C ATOM 183 OE1 GLN A 13 -22.938 1.230 0.354 1.00 0.00 O flip ATOM 184 NE2 GLN A 13 -23.732 0.135 -1.389 1.00 0.00 N flip ATOM 0 H GLN A 13 -21.425 2.803 0.268 1.00 0.00 H new ATOM 0 HA GLN A 13 -21.685 3.236 -2.538 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -23.230 3.995 -0.062 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -23.648 4.648 -1.634 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -25.048 2.709 -1.095 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -24.071 2.401 -2.518 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -24.200 0.126 -2.295 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -23.427 -0.740 -0.964 1.00 0.00 H new ATOM 193 N ASP A 14 -20.256 5.424 -0.772 1.00 0.00 N ATOM 194 CA ASP A 14 -19.533 6.674 -0.787 1.00 0.00 C ATOM 195 C ASP A 14 -18.176 6.435 -1.444 1.00 0.00 C ATOM 196 O ASP A 14 -17.767 7.149 -2.342 1.00 0.00 O ATOM 197 CB ASP A 14 -19.361 7.159 0.651 1.00 0.00 C ATOM 198 CG ASP A 14 -18.920 8.606 0.765 1.00 0.00 C ATOM 199 OD1 ASP A 14 -19.039 9.365 -0.207 1.00 0.00 O ATOM 200 OD2 ASP A 14 -18.504 9.012 1.871 1.00 0.00 O ATOM 0 H ASP A 14 -20.060 4.842 0.042 1.00 0.00 H new ATOM 0 HA ASP A 14 -20.074 7.435 -1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -20.305 7.035 1.181 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.629 6.526 1.152 1.00 0.00 H new ATOM 205 N ALA A 15 -17.534 5.352 -1.025 1.00 0.00 N ATOM 206 CA ALA A 15 -16.219 4.921 -1.510 1.00 0.00 C ATOM 207 C ALA A 15 -16.224 4.633 -3.005 1.00 0.00 C ATOM 208 O ALA A 15 -15.194 4.778 -3.682 1.00 0.00 O ATOM 209 CB ALA A 15 -15.782 3.684 -0.749 1.00 0.00 C ATOM 0 H ALA A 15 -17.921 4.727 -0.318 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.517 5.737 -1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.805 3.362 -1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.720 3.914 0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.507 2.885 -0.906 1.00 0.00 H new ATOM 215 N LYS A 16 -17.388 4.239 -3.529 1.00 0.00 N ATOM 216 CA LYS A 16 -17.534 3.944 -4.944 1.00 0.00 C ATOM 217 C LYS A 16 -17.184 5.134 -5.809 1.00 0.00 C ATOM 218 O LYS A 16 -16.873 4.963 -6.948 1.00 0.00 O ATOM 219 CB LYS A 16 -18.908 3.373 -5.313 1.00 0.00 C ATOM 220 CG LYS A 16 -20.085 4.340 -5.206 1.00 0.00 C ATOM 221 CD LYS A 16 -21.420 3.628 -5.445 1.00 0.00 C ATOM 222 CE LYS A 16 -21.519 2.988 -6.833 1.00 0.00 C ATOM 223 NZ LYS A 16 -21.642 3.963 -7.931 1.00 0.00 N ATOM 0 H LYS A 16 -18.243 4.119 -2.986 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.812 3.154 -5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -18.862 3.000 -6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -19.108 2.516 -4.670 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.089 4.802 -4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.965 5.143 -5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.555 2.858 -4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -22.233 4.343 -5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -20.635 2.373 -7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.380 2.321 -6.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -21.704 3.458 -8.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -22.500 4.534 -7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.809 4.585 -7.938 1.00 0.00 H new ATOM 237 N ALA A 17 -17.262 6.333 -5.247 1.00 0.00 N ATOM 238 CA ALA A 17 -16.895 7.579 -5.939 1.00 0.00 C ATOM 239 C ALA A 17 -15.480 7.511 -6.558 1.00 0.00 C ATOM 240 O ALA A 17 -15.239 8.071 -7.630 1.00 0.00 O ATOM 241 CB ALA A 17 -17.000 8.765 -4.985 1.00 0.00 C ATOM 0 H ALA A 17 -17.584 6.478 -4.290 1.00 0.00 H new ATOM 0 HA ALA A 17 -17.600 7.713 -6.760 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -16.726 9.680 -5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.024 8.849 -4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -16.326 8.615 -4.142 1.00 0.00 H new ATOM 247 N ALA A 18 -14.567 6.799 -5.902 1.00 0.00 N ATOM 248 CA ALA A 18 -13.210 6.651 -6.404 1.00 0.00 C ATOM 249 C ALA A 18 -13.157 5.612 -7.532 1.00 0.00 C ATOM 250 O ALA A 18 -12.302 5.663 -8.417 1.00 0.00 O ATOM 251 CB ALA A 18 -12.293 6.264 -5.272 1.00 0.00 C ATOM 0 H ALA A 18 -14.746 6.316 -5.021 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.878 7.603 -6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.276 6.153 -5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.314 7.039 -4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.625 5.319 -4.841 1.00 0.00 H new ATOM 257 N TYR A 19 -14.079 4.686 -7.488 1.00 0.00 N ATOM 258 CA TYR A 19 -14.224 3.664 -8.510 1.00 0.00 C ATOM 259 C TYR A 19 -14.976 4.248 -9.689 1.00 0.00 C ATOM 260 O TYR A 19 -14.699 3.933 -10.831 1.00 0.00 O ATOM 261 CB TYR A 19 -14.933 2.424 -7.919 1.00 0.00 C ATOM 262 CG TYR A 19 -15.866 1.682 -8.846 1.00 0.00 C ATOM 263 CD1 TYR A 19 -15.389 0.773 -9.780 1.00 0.00 C ATOM 264 CD2 TYR A 19 -17.233 1.901 -8.778 1.00 0.00 C ATOM 265 CE1 TYR A 19 -16.255 0.105 -10.624 1.00 0.00 C ATOM 266 CE2 TYR A 19 -18.102 1.240 -9.612 1.00 0.00 C ATOM 267 CZ TYR A 19 -17.611 0.344 -10.535 1.00 0.00 C ATOM 268 OH TYR A 19 -18.483 -0.322 -11.366 1.00 0.00 O ATOM 0 H TYR A 19 -14.763 4.613 -6.735 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.246 3.336 -8.862 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.170 1.727 -7.571 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.500 2.739 -7.043 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.328 0.586 -9.848 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.622 2.604 -8.056 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -15.873 -0.599 -11.348 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.164 1.422 -9.544 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.401 -0.038 -11.172 1.00 0.00 H new ATOM 278 N ASP A 20 -15.887 5.133 -9.368 1.00 0.00 N ATOM 279 CA ASP A 20 -16.711 5.902 -10.313 1.00 0.00 C ATOM 280 C ASP A 20 -15.824 6.717 -11.259 1.00 0.00 C ATOM 281 O ASP A 20 -16.220 7.071 -12.374 1.00 0.00 O ATOM 282 CB ASP A 20 -17.611 6.833 -9.495 1.00 0.00 C ATOM 283 CG ASP A 20 -18.589 7.638 -10.296 1.00 0.00 C ATOM 284 OD1 ASP A 20 -19.675 7.114 -10.603 1.00 0.00 O ATOM 285 OD2 ASP A 20 -18.338 8.842 -10.552 1.00 0.00 O ATOM 0 H ASP A 20 -16.097 5.360 -8.396 1.00 0.00 H new ATOM 0 HA ASP A 20 -17.313 5.229 -10.923 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -18.164 6.235 -8.771 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -16.980 7.517 -8.928 1.00 0.00 H new ATOM 290 N ALA A 21 -14.612 6.988 -10.804 1.00 0.00 N ATOM 291 CA ALA A 21 -13.612 7.687 -11.584 1.00 0.00 C ATOM 292 C ALA A 21 -13.065 6.809 -12.712 1.00 0.00 C ATOM 293 O ALA A 21 -12.420 7.304 -13.625 1.00 0.00 O ATOM 294 CB ALA A 21 -12.481 8.134 -10.691 1.00 0.00 C ATOM 0 H ALA A 21 -14.294 6.724 -9.871 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.089 8.557 -12.035 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.733 8.659 -11.286 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.867 8.803 -9.922 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.024 7.264 -10.219 1.00 0.00 H new ATOM 300 N GLY A 22 -13.291 5.509 -12.628 1.00 0.00 N ATOM 301 CA GLY A 22 -12.843 4.629 -13.680 1.00 0.00 C ATOM 302 C GLY A 22 -12.089 3.436 -13.161 1.00 0.00 C ATOM 303 O GLY A 22 -11.243 2.893 -13.866 1.00 0.00 O ATOM 0 H GLY A 22 -13.774 5.051 -11.855 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.705 4.287 -14.253 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.205 5.186 -14.366 1.00 0.00 H new ATOM 307 N ALA A 23 -12.394 3.039 -11.910 1.00 0.00 N ATOM 308 CA ALA A 23 -11.778 1.877 -11.228 1.00 0.00 C ATOM 309 C ALA A 23 -10.250 1.971 -11.216 1.00 0.00 C ATOM 310 O ALA A 23 -9.560 0.954 -11.236 1.00 0.00 O ATOM 311 CB ALA A 23 -12.239 0.577 -11.894 1.00 0.00 C ATOM 0 H ALA A 23 -13.084 3.521 -11.334 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.107 1.881 -10.189 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.782 -0.273 -11.387 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.324 0.499 -11.827 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.939 0.579 -12.942 1.00 0.00 H new ATOM 317 N ILE A 24 -9.744 3.201 -11.114 1.00 0.00 N ATOM 318 CA ILE A 24 -8.308 3.466 -11.211 1.00 0.00 C ATOM 319 C ILE A 24 -7.546 2.781 -10.092 1.00 0.00 C ATOM 320 O ILE A 24 -6.840 1.810 -10.311 1.00 0.00 O ATOM 321 CB ILE A 24 -7.995 4.989 -11.074 1.00 0.00 C ATOM 322 CG1 ILE A 24 -8.918 5.853 -11.938 1.00 0.00 C ATOM 323 CG2 ILE A 24 -6.528 5.263 -11.443 1.00 0.00 C ATOM 324 CD1 ILE A 24 -8.714 7.339 -11.701 1.00 0.00 C ATOM 0 H ILE A 24 -10.312 4.035 -10.963 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.003 3.090 -12.188 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.171 5.261 -10.033 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.741 5.629 -12.990 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.956 5.594 -11.727 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.321 6.329 -11.344 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.874 4.702 -10.775 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.348 4.953 -12.472 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.393 7.906 -12.338 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.918 7.572 -10.656 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.685 7.607 -11.938 1.00 0.00 H new ATOM 336 N TYR A 25 -7.765 3.286 -8.898 1.00 0.00 N ATOM 337 CA TYR A 25 -7.047 2.897 -7.704 1.00 0.00 C ATOM 338 C TYR A 25 -7.633 3.676 -6.523 1.00 0.00 C ATOM 339 O TYR A 25 -8.227 4.751 -6.717 1.00 0.00 O ATOM 340 CB TYR A 25 -5.517 3.198 -7.918 1.00 0.00 C ATOM 341 CG TYR A 25 -4.857 4.058 -6.896 1.00 0.00 C ATOM 342 CD1 TYR A 25 -4.892 5.423 -7.015 1.00 0.00 C ATOM 343 CD2 TYR A 25 -4.194 3.507 -5.827 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.289 6.233 -6.101 1.00 0.00 C ATOM 345 CE2 TYR A 25 -3.587 4.306 -4.901 1.00 0.00 C ATOM 346 CZ TYR A 25 -3.633 5.677 -5.039 1.00 0.00 C ATOM 347 OH TYR A 25 -3.016 6.491 -4.113 1.00 0.00 O ATOM 0 H TYR A 25 -8.471 4.002 -8.726 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.149 1.832 -7.495 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.985 2.247 -7.958 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.396 3.672 -8.892 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.410 5.866 -7.853 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.152 2.433 -5.718 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.329 7.306 -6.215 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.071 3.864 -4.061 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.596 5.939 -3.421 1.00 0.00 H new ATOM 357 N GLY A 26 -7.487 3.145 -5.348 1.00 0.00 N ATOM 358 CA GLY A 26 -7.909 3.807 -4.151 1.00 0.00 C ATOM 359 C GLY A 26 -6.744 3.897 -3.208 1.00 0.00 C ATOM 360 O GLY A 26 -5.998 2.936 -3.076 1.00 0.00 O ATOM 0 H GLY A 26 -7.067 2.229 -5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.283 4.804 -4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.729 3.259 -3.686 1.00 0.00 H new ATOM 364 N GLY A 27 -6.582 5.019 -2.555 1.00 0.00 N ATOM 365 CA GLY A 27 -5.409 5.219 -1.742 1.00 0.00 C ATOM 366 C GLY A 27 -5.708 5.139 -0.281 1.00 0.00 C ATOM 367 O GLY A 27 -5.786 6.166 0.402 1.00 0.00 O ATOM 0 H GLY A 27 -7.238 5.800 -2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.661 4.469 -1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.975 6.193 -1.968 1.00 0.00 H new ATOM 371 N LEU A 28 -5.893 3.943 0.192 1.00 0.00 N ATOM 372 CA LEU A 28 -6.153 3.705 1.569 1.00 0.00 C ATOM 373 C LEU A 28 -5.055 2.884 2.151 1.00 0.00 C ATOM 374 O LEU A 28 -4.460 2.059 1.479 1.00 0.00 O ATOM 375 CB LEU A 28 -7.589 3.125 1.881 1.00 0.00 C ATOM 376 CG LEU A 28 -8.112 1.823 1.184 1.00 0.00 C ATOM 377 CD1 LEU A 28 -8.187 1.961 -0.324 1.00 0.00 C ATOM 378 CD2 LEU A 28 -7.321 0.581 1.586 1.00 0.00 C ATOM 0 H LEU A 28 -5.866 3.099 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.167 4.677 2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.634 2.949 2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.306 3.915 1.657 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.130 1.685 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.555 1.031 -0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.865 2.774 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.194 2.177 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.727 -0.291 1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.275 0.710 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.395 0.435 2.664 1.00 0.00 H new ATOM 390 N ILE A 29 -4.745 3.161 3.352 1.00 0.00 N ATOM 391 CA ILE A 29 -3.677 2.467 4.027 1.00 0.00 C ATOM 392 C ILE A 29 -4.241 1.708 5.214 1.00 0.00 C ATOM 393 O ILE A 29 -5.245 2.131 5.771 1.00 0.00 O ATOM 394 CB ILE A 29 -2.631 3.470 4.489 1.00 0.00 C ATOM 395 CG1 ILE A 29 -2.297 4.441 3.358 1.00 0.00 C ATOM 396 CG2 ILE A 29 -1.407 2.751 4.963 1.00 0.00 C ATOM 397 CD1 ILE A 29 -1.342 5.549 3.723 1.00 0.00 C ATOM 0 H ILE A 29 -5.212 3.872 3.915 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.207 1.759 3.344 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.031 4.048 5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.872 3.875 2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.224 4.886 2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.663 3.477 5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.668 2.097 5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.997 2.155 4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.170 6.182 2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.769 6.147 4.528 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.396 5.120 4.052 1.00 0.00 H new ATOM 409 N PHE A 30 -3.599 0.615 5.620 1.00 0.00 N ATOM 410 CA PHE A 30 -4.117 -0.207 6.704 1.00 0.00 C ATOM 411 C PHE A 30 -3.725 0.379 8.036 1.00 0.00 C ATOM 412 O PHE A 30 -2.800 -0.109 8.680 1.00 0.00 O ATOM 413 CB PHE A 30 -3.576 -1.653 6.679 1.00 0.00 C ATOM 414 CG PHE A 30 -3.464 -2.272 5.339 1.00 0.00 C ATOM 415 CD1 PHE A 30 -4.513 -2.980 4.770 1.00 0.00 C ATOM 416 CD2 PHE A 30 -2.284 -2.139 4.643 1.00 0.00 C ATOM 417 CE1 PHE A 30 -4.363 -3.538 3.510 1.00 0.00 C ATOM 418 CE2 PHE A 30 -2.127 -2.683 3.413 1.00 0.00 C ATOM 419 CZ PHE A 30 -3.159 -3.384 2.831 1.00 0.00 C ATOM 0 H PHE A 30 -2.724 0.282 5.215 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.198 -0.226 6.566 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.591 -1.661 7.147 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.226 -2.276 7.294 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.443 -3.096 5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.467 -1.590 5.087 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.175 -4.088 3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.191 -2.567 2.888 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.034 -3.814 1.848 1.00 0.00 H new ATOM 429 N VAL A 31 -4.318 1.458 8.411 1.00 0.00 N ATOM 430 CA VAL A 31 -4.096 1.930 9.742 1.00 0.00 C ATOM 431 C VAL A 31 -5.223 1.423 10.601 1.00 0.00 C ATOM 432 O VAL A 31 -6.396 1.667 10.295 1.00 0.00 O ATOM 433 CB VAL A 31 -3.958 3.461 9.858 1.00 0.00 C ATOM 434 CG1 VAL A 31 -3.734 3.851 11.309 1.00 0.00 C ATOM 435 CG2 VAL A 31 -2.810 3.962 8.993 1.00 0.00 C ATOM 0 H VAL A 31 -4.945 2.021 7.837 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.134 1.545 10.079 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.880 3.923 9.504 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.637 4.934 11.384 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.581 3.520 11.910 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.823 3.379 11.676 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.728 5.045 9.088 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.879 3.498 9.319 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.999 3.703 7.951 1.00 0.00 H new ATOM 445 N ALA A 32 -4.858 0.683 11.636 1.00 0.00 N ATOM 446 CA ALA A 32 -5.782 0.035 12.535 1.00 0.00 C ATOM 447 C ALA A 32 -6.874 0.965 13.029 1.00 0.00 C ATOM 448 O ALA A 32 -6.613 1.930 13.765 1.00 0.00 O ATOM 449 CB ALA A 32 -5.036 -0.578 13.703 1.00 0.00 C ATOM 0 H ALA A 32 -3.881 0.516 11.875 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.277 -0.753 11.968 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.745 -1.064 14.373 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.323 -1.315 13.333 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.502 0.203 14.244 1.00 0.00 H new ATOM 455 N THR A 33 -8.071 0.707 12.515 1.00 0.00 N ATOM 456 CA THR A 33 -9.321 1.355 12.900 1.00 0.00 C ATOM 457 C THR A 33 -9.308 2.875 12.734 1.00 0.00 C ATOM 458 O THR A 33 -10.034 3.607 13.418 1.00 0.00 O ATOM 459 CB THR A 33 -9.805 0.901 14.316 1.00 0.00 C ATOM 460 OG1 THR A 33 -8.822 1.160 15.338 1.00 0.00 O ATOM 461 CG2 THR A 33 -10.085 -0.580 14.289 1.00 0.00 C ATOM 0 H THR A 33 -8.203 0.008 11.784 1.00 0.00 H new ATOM 0 HA THR A 33 -10.066 1.006 12.185 1.00 0.00 H new ATOM 0 HB THR A 33 -10.702 1.472 14.555 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.166 0.862 16.206 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.423 -0.904 15.273 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.860 -0.790 13.552 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.175 -1.118 14.023 1.00 0.00 H new ATOM 469 N SER A 34 -8.527 3.336 11.789 1.00 0.00 N ATOM 470 CA SER A 34 -8.453 4.725 11.488 1.00 0.00 C ATOM 471 C SER A 34 -9.636 5.114 10.597 1.00 0.00 C ATOM 472 O SER A 34 -10.027 4.362 9.714 1.00 0.00 O ATOM 473 CB SER A 34 -7.135 5.013 10.774 1.00 0.00 C ATOM 474 OG SER A 34 -6.979 6.391 10.469 1.00 0.00 O ATOM 0 H SER A 34 -7.927 2.748 11.211 1.00 0.00 H new ATOM 0 HA SER A 34 -8.496 5.310 12.407 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.305 4.685 11.401 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.088 4.431 9.853 1.00 0.00 H new ATOM 0 HG SER A 34 -6.236 6.760 10.991 1.00 0.00 H new ATOM 480 N PRO A 35 -10.243 6.275 10.818 1.00 0.00 N ATOM 481 CA PRO A 35 -11.308 6.744 9.968 1.00 0.00 C ATOM 482 C PRO A 35 -10.783 7.491 8.736 1.00 0.00 C ATOM 483 O PRO A 35 -11.547 8.093 7.997 1.00 0.00 O ATOM 484 CB PRO A 35 -12.122 7.654 10.868 1.00 0.00 C ATOM 485 CG PRO A 35 -11.172 8.140 11.920 1.00 0.00 C ATOM 486 CD PRO A 35 -9.994 7.190 11.944 1.00 0.00 C ATOM 0 HA PRO A 35 -11.896 5.922 9.558 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.542 8.487 10.305 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -12.959 7.117 11.314 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.842 9.155 11.699 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -11.661 8.169 12.894 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.051 7.723 11.823 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.937 6.651 12.890 1.00 0.00 H new ATOM 494 N ARG A 36 -9.475 7.462 8.536 1.00 0.00 N ATOM 495 CA ARG A 36 -8.876 8.056 7.348 1.00 0.00 C ATOM 496 C ARG A 36 -8.035 7.018 6.619 1.00 0.00 C ATOM 497 O ARG A 36 -7.450 7.283 5.575 1.00 0.00 O ATOM 498 CB ARG A 36 -8.039 9.302 7.694 1.00 0.00 C ATOM 499 CG ARG A 36 -6.830 9.042 8.581 1.00 0.00 C ATOM 500 CD ARG A 36 -6.114 10.339 8.937 1.00 0.00 C ATOM 501 NE ARG A 36 -6.961 11.235 9.742 1.00 0.00 N ATOM 502 CZ ARG A 36 -6.538 12.342 10.379 1.00 0.00 C ATOM 503 NH1 ARG A 36 -5.271 12.745 10.274 1.00 0.00 N ATOM 504 NH2 ARG A 36 -7.385 13.046 11.113 1.00 0.00 N ATOM 0 H ARG A 36 -8.808 7.035 9.178 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.680 8.386 6.690 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.697 9.760 6.766 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.684 10.028 8.189 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.148 8.538 9.493 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.139 8.371 8.070 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.202 10.110 9.489 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.813 10.850 8.022 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.949 10.997 9.823 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.612 12.212 9.706 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.961 13.586 10.761 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.357 12.749 11.195 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.065 13.885 11.596 1.00 0.00 H new ATOM 518 N CYS A 37 -8.035 5.813 7.140 1.00 0.00 N ATOM 519 CA CYS A 37 -7.248 4.717 6.609 1.00 0.00 C ATOM 520 C CYS A 37 -7.922 3.393 6.981 1.00 0.00 C ATOM 521 O CYS A 37 -8.162 3.137 8.132 1.00 0.00 O ATOM 522 CB CYS A 37 -5.823 4.775 7.165 1.00 0.00 C ATOM 523 SG CYS A 37 -4.836 6.201 6.639 1.00 0.00 S ATOM 0 H CYS A 37 -8.590 5.560 7.958 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.190 4.796 5.523 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.876 4.774 8.254 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.300 3.865 6.871 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.601 7.057 6.028 1.00 0.00 H new ATOM 529 N VAL A 38 -8.200 2.571 6.002 1.00 0.00 N ATOM 530 CA VAL A 38 -8.960 1.360 6.214 1.00 0.00 C ATOM 531 C VAL A 38 -8.066 0.133 6.226 1.00 0.00 C ATOM 532 O VAL A 38 -7.161 -0.009 5.415 1.00 0.00 O ATOM 533 CB VAL A 38 -10.106 1.271 5.135 1.00 0.00 C ATOM 534 CG1 VAL A 38 -10.285 -0.113 4.565 1.00 0.00 C ATOM 535 CG2 VAL A 38 -11.418 1.723 5.736 1.00 0.00 C ATOM 0 H VAL A 38 -7.908 2.719 5.036 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.424 1.392 7.200 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.804 1.925 4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.089 -0.102 3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.359 -0.432 4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.536 -0.807 5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.204 1.658 4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.671 1.083 6.581 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.326 2.754 6.077 1.00 0.00 H new ATOM 545 N ASN A 39 -8.352 -0.744 7.152 1.00 0.00 N ATOM 546 CA ASN A 39 -7.617 -1.980 7.311 1.00 0.00 C ATOM 547 C ASN A 39 -8.413 -3.112 6.778 1.00 0.00 C ATOM 548 O ASN A 39 -9.598 -2.933 6.491 1.00 0.00 O ATOM 549 CB ASN A 39 -7.200 -2.214 8.770 1.00 0.00 C ATOM 550 CG ASN A 39 -8.314 -1.997 9.745 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.542 -0.890 10.204 1.00 0.00 O ATOM 552 ND2 ASN A 39 -8.959 -3.024 10.124 1.00 0.00 N ATOM 0 H ASN A 39 -9.108 -0.623 7.826 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.694 -1.907 6.737 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.827 -3.233 8.875 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.375 -1.546 9.017 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.690 -2.935 10.830 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.746 -3.937 9.722 1.00 0.00 H new ATOM 559 N VAL A 40 -7.777 -4.290 6.689 1.00 0.00 N ATOM 560 CA VAL A 40 -8.348 -5.525 6.089 1.00 0.00 C ATOM 561 C VAL A 40 -9.799 -5.780 6.500 1.00 0.00 C ATOM 562 O VAL A 40 -10.623 -6.184 5.683 1.00 0.00 O ATOM 563 CB VAL A 40 -7.458 -6.775 6.424 1.00 0.00 C ATOM 564 CG1 VAL A 40 -7.286 -6.954 7.922 1.00 0.00 C ATOM 565 CG2 VAL A 40 -8.002 -8.055 5.800 1.00 0.00 C ATOM 0 H VAL A 40 -6.828 -4.423 7.038 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.350 -5.364 5.011 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.480 -6.580 5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.665 -7.829 8.115 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.807 -6.069 8.342 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.262 -7.093 8.386 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.353 -8.891 6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.007 -8.245 6.177 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.036 -7.945 4.716 1.00 0.00 H new ATOM 575 N GLU A 41 -10.104 -5.429 7.720 1.00 0.00 N ATOM 576 CA GLU A 41 -11.376 -5.673 8.309 1.00 0.00 C ATOM 577 C GLU A 41 -12.486 -4.848 7.641 1.00 0.00 C ATOM 578 O GLU A 41 -13.501 -5.389 7.221 1.00 0.00 O ATOM 579 CB GLU A 41 -11.259 -5.376 9.766 1.00 0.00 C ATOM 580 CG GLU A 41 -10.296 -6.301 10.495 1.00 0.00 C ATOM 581 CD GLU A 41 -10.209 -6.014 11.964 1.00 0.00 C ATOM 582 OE1 GLU A 41 -9.402 -5.159 12.372 1.00 0.00 O ATOM 583 OE2 GLU A 41 -10.957 -6.641 12.747 1.00 0.00 O ATOM 0 H GLU A 41 -9.451 -4.953 8.342 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.662 -6.714 8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.928 -4.345 9.894 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.244 -5.454 10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.613 -7.334 10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.304 -6.207 10.052 1.00 0.00 H new ATOM 590 N GLN A 42 -12.266 -3.548 7.513 1.00 0.00 N ATOM 591 CA GLN A 42 -13.223 -2.665 6.863 1.00 0.00 C ATOM 592 C GLN A 42 -13.104 -2.812 5.357 1.00 0.00 C ATOM 593 O GLN A 42 -14.085 -2.718 4.610 1.00 0.00 O ATOM 594 CB GLN A 42 -12.898 -1.250 7.262 1.00 0.00 C ATOM 595 CG GLN A 42 -13.157 -0.953 8.714 1.00 0.00 C ATOM 596 CD GLN A 42 -12.294 0.133 9.205 1.00 0.00 C ATOM 597 OE1 GLN A 42 -11.217 -0.248 9.770 1.00 0.00 O flip ATOM 598 NE2 GLN A 42 -12.620 1.309 9.117 1.00 0.00 N flip ATOM 0 H GLN A 42 -11.427 -3.079 7.853 1.00 0.00 H new ATOM 0 HA GLN A 42 -14.240 -2.917 7.163 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.849 -1.052 7.042 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.486 -0.566 6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.203 -0.677 8.849 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.985 -1.852 9.306 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.493 1.563 8.655 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.019 2.035 9.506 1.00 0.00 H new ATOM 607 N ALA A 43 -11.886 -3.083 4.930 1.00 0.00 N ATOM 608 CA ALA A 43 -11.550 -3.240 3.535 1.00 0.00 C ATOM 609 C ALA A 43 -12.267 -4.417 2.914 1.00 0.00 C ATOM 610 O ALA A 43 -12.523 -4.430 1.716 1.00 0.00 O ATOM 611 CB ALA A 43 -10.050 -3.369 3.337 1.00 0.00 C ATOM 0 H ALA A 43 -11.090 -3.202 5.557 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.886 -2.337 3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.832 -3.486 2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.555 -2.474 3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.685 -4.241 3.880 1.00 0.00 H new ATOM 617 N GLN A 44 -12.612 -5.379 3.756 1.00 0.00 N ATOM 618 CA GLN A 44 -13.293 -6.596 3.358 1.00 0.00 C ATOM 619 C GLN A 44 -14.585 -6.246 2.619 1.00 0.00 C ATOM 620 O GLN A 44 -14.944 -6.875 1.625 1.00 0.00 O ATOM 621 CB GLN A 44 -13.648 -7.406 4.602 1.00 0.00 C ATOM 622 CG GLN A 44 -13.719 -8.898 4.373 1.00 0.00 C ATOM 623 CD GLN A 44 -12.405 -9.579 4.730 1.00 0.00 C ATOM 624 OE1 GLN A 44 -11.300 -8.863 4.625 1.00 0.00 O flip ATOM 625 NE2 GLN A 44 -12.385 -10.750 5.108 1.00 0.00 N flip ATOM 0 H GLN A 44 -12.421 -5.332 4.757 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.639 -7.174 2.706 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -12.908 -7.204 5.376 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.610 -7.062 4.983 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -14.525 -9.322 4.973 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.961 -9.096 3.329 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -13.255 -11.278 5.179 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.499 -11.193 5.350 1.00 0.00 H new ATOM 634 N GLU A 45 -15.257 -5.225 3.102 1.00 0.00 N ATOM 635 CA GLU A 45 -16.492 -4.784 2.502 1.00 0.00 C ATOM 636 C GLU A 45 -16.257 -3.812 1.378 1.00 0.00 C ATOM 637 O GLU A 45 -16.806 -3.973 0.295 1.00 0.00 O ATOM 638 CB GLU A 45 -17.429 -4.195 3.539 1.00 0.00 C ATOM 639 CG GLU A 45 -17.954 -5.228 4.504 1.00 0.00 C ATOM 640 CD GLU A 45 -18.703 -6.327 3.783 1.00 0.00 C ATOM 641 OE1 GLU A 45 -19.848 -6.098 3.347 1.00 0.00 O ATOM 642 OE2 GLU A 45 -18.155 -7.439 3.629 1.00 0.00 O ATOM 0 H GLU A 45 -14.965 -4.682 3.915 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.970 -5.666 2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.906 -3.417 4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.268 -3.716 3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.125 -5.659 5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.614 -4.750 5.228 1.00 0.00 H new ATOM 649 N VAL A 46 -15.391 -2.837 1.611 1.00 0.00 N ATOM 650 CA VAL A 46 -15.145 -1.775 0.638 1.00 0.00 C ATOM 651 C VAL A 46 -14.602 -2.345 -0.694 1.00 0.00 C ATOM 652 O VAL A 46 -14.928 -1.843 -1.771 1.00 0.00 O ATOM 653 CB VAL A 46 -14.206 -0.656 1.217 1.00 0.00 C ATOM 654 CG1 VAL A 46 -12.768 -1.096 1.304 1.00 0.00 C ATOM 655 CG2 VAL A 46 -14.333 0.637 0.439 1.00 0.00 C ATOM 0 H VAL A 46 -14.843 -2.756 2.468 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.104 -1.304 0.425 1.00 0.00 H new ATOM 0 HB VAL A 46 -14.544 -0.470 2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.163 -0.285 1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.693 -1.967 1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -12.406 -1.355 0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -13.669 1.387 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.060 0.464 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -15.362 0.992 0.489 1.00 0.00 H new ATOM 665 N MET A 47 -13.842 -3.447 -0.620 1.00 0.00 N ATOM 666 CA MET A 47 -13.280 -4.074 -1.825 1.00 0.00 C ATOM 667 C MET A 47 -14.386 -4.645 -2.710 1.00 0.00 C ATOM 668 O MET A 47 -14.238 -4.740 -3.919 1.00 0.00 O ATOM 669 CB MET A 47 -12.259 -5.175 -1.481 1.00 0.00 C ATOM 670 CG MET A 47 -12.850 -6.422 -0.832 1.00 0.00 C ATOM 671 SD MET A 47 -11.613 -7.691 -0.529 1.00 0.00 S ATOM 672 CE MET A 47 -12.603 -8.964 0.239 1.00 0.00 C ATOM 0 H MET A 47 -13.604 -3.919 0.252 1.00 0.00 H new ATOM 0 HA MET A 47 -12.755 -3.291 -2.373 1.00 0.00 H new ATOM 0 HB2 MET A 47 -11.743 -5.469 -2.395 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.508 -4.756 -0.811 1.00 0.00 H new ATOM 0 HG2 MET A 47 -13.323 -6.148 0.111 1.00 0.00 H new ATOM 0 HG3 MET A 47 -13.632 -6.827 -1.475 1.00 0.00 H new ATOM 0 HE1 MET A 47 -12.244 -9.142 1.253 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.644 -8.644 0.274 1.00 0.00 H new ATOM 0 HE3 MET A 47 -12.526 -9.884 -0.340 1.00 0.00 H new ATOM 682 N ALA A 48 -15.495 -5.002 -2.100 1.00 0.00 N ATOM 683 CA ALA A 48 -16.619 -5.556 -2.822 1.00 0.00 C ATOM 684 C ALA A 48 -17.541 -4.435 -3.262 1.00 0.00 C ATOM 685 O ALA A 48 -18.289 -4.563 -4.235 1.00 0.00 O ATOM 686 CB ALA A 48 -17.363 -6.543 -1.944 1.00 0.00 C ATOM 0 H ALA A 48 -15.643 -4.917 -1.094 1.00 0.00 H new ATOM 0 HA ALA A 48 -16.259 -6.084 -3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -18.208 -6.955 -2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -16.691 -7.350 -1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.726 -6.034 -1.051 1.00 0.00 H new ATOM 692 N ALA A 49 -17.472 -3.340 -2.542 1.00 0.00 N ATOM 693 CA ALA A 49 -18.283 -2.183 -2.809 1.00 0.00 C ATOM 694 C ALA A 49 -17.790 -1.433 -4.036 1.00 0.00 C ATOM 695 O ALA A 49 -18.579 -1.100 -4.922 1.00 0.00 O ATOM 696 CB ALA A 49 -18.308 -1.268 -1.604 1.00 0.00 C ATOM 0 H ALA A 49 -16.843 -3.230 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 49 -19.298 -2.525 -3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.926 -0.397 -1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -18.723 -1.803 -0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.293 -0.944 -1.372 1.00 0.00 H new ATOM 702 N ALA A 50 -16.498 -1.192 -4.119 1.00 0.00 N ATOM 703 CA ALA A 50 -15.958 -0.481 -5.192 1.00 0.00 C ATOM 704 C ALA A 50 -14.838 -1.298 -5.756 1.00 0.00 C ATOM 705 O ALA A 50 -13.771 -1.380 -5.149 1.00 0.00 O ATOM 706 CB ALA A 50 -15.462 0.868 -4.707 1.00 0.00 C ATOM 0 H ALA A 50 -15.814 -1.497 -3.426 1.00 0.00 H new ATOM 0 HA ALA A 50 -16.705 -0.301 -5.965 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.040 1.423 -5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.293 1.430 -4.281 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -14.695 0.722 -3.946 1.00 0.00 H new ATOM 712 N PRO A 51 -15.072 -1.995 -6.870 1.00 0.00 N ATOM 713 CA PRO A 51 -14.046 -2.797 -7.502 1.00 0.00 C ATOM 714 C PRO A 51 -12.996 -1.933 -8.214 1.00 0.00 C ATOM 715 O PRO A 51 -12.930 -1.855 -9.442 1.00 0.00 O ATOM 716 CB PRO A 51 -14.815 -3.695 -8.470 1.00 0.00 C ATOM 717 CG PRO A 51 -16.068 -2.949 -8.780 1.00 0.00 C ATOM 718 CD PRO A 51 -16.369 -2.091 -7.577 1.00 0.00 C ATOM 0 HA PRO A 51 -13.469 -3.375 -6.780 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.237 -3.887 -9.374 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.034 -4.663 -8.020 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -15.943 -2.335 -9.672 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -16.889 -3.637 -8.980 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -16.737 -1.108 -7.870 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.135 -2.543 -6.946 1.00 0.00 H new ATOM 726 N LEU A 52 -12.270 -1.203 -7.418 1.00 0.00 N ATOM 727 CA LEU A 52 -11.168 -0.412 -7.857 1.00 0.00 C ATOM 728 C LEU A 52 -9.877 -1.079 -7.385 1.00 0.00 C ATOM 729 O LEU A 52 -9.928 -2.109 -6.702 1.00 0.00 O ATOM 730 CB LEU A 52 -11.325 1.053 -7.336 1.00 0.00 C ATOM 731 CG LEU A 52 -11.731 1.234 -5.848 1.00 0.00 C ATOM 732 CD1 LEU A 52 -10.574 1.029 -4.910 1.00 0.00 C ATOM 733 CD2 LEU A 52 -12.389 2.568 -5.574 1.00 0.00 C ATOM 0 H LEU A 52 -12.438 -1.143 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.135 -0.350 -8.945 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.379 1.572 -7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.071 1.554 -7.954 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.469 0.455 -5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.910 1.167 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.182 0.019 -5.031 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.790 1.752 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.650 2.635 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.700 3.373 -5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.292 2.659 -6.177 1.00 0.00 H new ATOM 745 N GLN A 53 -8.751 -0.537 -7.754 1.00 0.00 N ATOM 746 CA GLN A 53 -7.483 -1.067 -7.331 1.00 0.00 C ATOM 747 C GLN A 53 -7.191 -0.676 -5.880 1.00 0.00 C ATOM 748 O GLN A 53 -7.320 0.485 -5.504 1.00 0.00 O ATOM 749 CB GLN A 53 -6.384 -0.581 -8.279 1.00 0.00 C ATOM 750 CG GLN A 53 -5.085 -0.262 -7.600 1.00 0.00 C ATOM 751 CD GLN A 53 -4.010 0.213 -8.535 1.00 0.00 C ATOM 752 OE1 GLN A 53 -4.269 0.779 -9.582 1.00 0.00 O ATOM 753 NE2 GLN A 53 -2.817 0.072 -8.122 1.00 0.00 N ATOM 0 H GLN A 53 -8.685 0.284 -8.356 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.514 -2.156 -7.371 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.208 -1.346 -9.036 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.737 0.309 -8.801 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.260 0.504 -6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.732 -1.151 -7.077 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.636 -0.407 -7.240 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.040 0.438 -8.672 1.00 0.00 H new ATOM 762 N TYR A 54 -6.801 -1.625 -5.096 1.00 0.00 N ATOM 763 CA TYR A 54 -6.478 -1.396 -3.730 1.00 0.00 C ATOM 764 C TYR A 54 -4.999 -1.422 -3.524 1.00 0.00 C ATOM 765 O TYR A 54 -4.266 -2.204 -4.162 1.00 0.00 O ATOM 766 CB TYR A 54 -7.217 -2.373 -2.803 1.00 0.00 C ATOM 767 CG TYR A 54 -8.657 -1.996 -2.641 1.00 0.00 C ATOM 768 CD1 TYR A 54 -9.625 -2.409 -3.542 1.00 0.00 C ATOM 769 CD2 TYR A 54 -9.030 -1.159 -1.619 1.00 0.00 C ATOM 770 CE1 TYR A 54 -10.932 -1.992 -3.409 1.00 0.00 C ATOM 771 CE2 TYR A 54 -10.319 -0.723 -1.488 1.00 0.00 C ATOM 772 CZ TYR A 54 -11.266 -1.138 -2.377 1.00 0.00 C ATOM 773 OH TYR A 54 -12.537 -0.653 -2.266 1.00 0.00 O ATOM 0 H TYR A 54 -6.697 -2.595 -5.392 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.824 -0.398 -3.461 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.148 -3.383 -3.208 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.732 -2.387 -1.827 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.353 -3.064 -4.356 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.289 -0.838 -0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.686 -2.330 -4.104 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.586 -0.053 -0.684 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.169 -1.306 -2.633 1.00 0.00 H new ATOM 783 N VAL A 55 -4.544 -0.565 -2.682 1.00 0.00 N ATOM 784 CA VAL A 55 -3.165 -0.459 -2.425 1.00 0.00 C ATOM 785 C VAL A 55 -2.974 -0.512 -0.935 1.00 0.00 C ATOM 786 O VAL A 55 -3.932 -0.356 -0.182 1.00 0.00 O ATOM 787 CB VAL A 55 -2.583 0.873 -2.996 1.00 0.00 C ATOM 788 CG1 VAL A 55 -2.977 2.086 -2.159 1.00 0.00 C ATOM 789 CG2 VAL A 55 -1.089 0.791 -3.180 1.00 0.00 C ATOM 0 H VAL A 55 -5.127 0.083 -2.152 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.635 -1.277 -2.913 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.030 1.012 -3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.547 2.986 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.063 2.176 -2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.603 1.964 -1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.719 1.736 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.614 0.592 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.852 -0.014 -3.875 1.00 0.00 H new ATOM 799 N GLY A 56 -1.800 -0.807 -0.528 1.00 0.00 N ATOM 800 CA GLY A 56 -1.491 -0.763 0.858 1.00 0.00 C ATOM 801 C GLY A 56 -0.168 -0.156 1.113 1.00 0.00 C ATOM 802 O GLY A 56 0.760 -0.379 0.375 1.00 0.00 O ATOM 0 H GLY A 56 -1.028 -1.084 -1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.258 -0.193 1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.510 -1.774 1.266 1.00 0.00 H new ATOM 806 N VAL A 57 -0.081 0.647 2.124 1.00 0.00 N ATOM 807 CA VAL A 57 1.187 1.182 2.543 1.00 0.00 C ATOM 808 C VAL A 57 1.430 0.564 3.894 1.00 0.00 C ATOM 809 O VAL A 57 0.541 0.575 4.730 1.00 0.00 O ATOM 810 CB VAL A 57 1.170 2.742 2.629 1.00 0.00 C ATOM 811 CG1 VAL A 57 2.526 3.292 3.039 1.00 0.00 C ATOM 812 CG2 VAL A 57 0.725 3.358 1.304 1.00 0.00 C ATOM 0 H VAL A 57 -0.877 0.953 2.683 1.00 0.00 H new ATOM 0 HA VAL A 57 1.977 0.949 1.829 1.00 0.00 H new ATOM 0 HB VAL A 57 0.449 3.017 3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.478 4.380 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.799 2.896 4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.276 2.995 2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.722 4.445 1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.414 3.059 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.279 3.011 1.060 1.00 0.00 H new ATOM 822 N PHE A 58 2.553 -0.035 4.105 1.00 0.00 N ATOM 823 CA PHE A 58 2.723 -0.756 5.331 1.00 0.00 C ATOM 824 C PHE A 58 4.180 -0.839 5.696 1.00 0.00 C ATOM 825 O PHE A 58 5.059 -0.777 4.827 1.00 0.00 O ATOM 826 CB PHE A 58 2.093 -2.172 5.140 1.00 0.00 C ATOM 827 CG PHE A 58 2.092 -3.100 6.334 1.00 0.00 C ATOM 828 CD1 PHE A 58 1.482 -2.735 7.522 1.00 0.00 C ATOM 829 CD2 PHE A 58 2.687 -4.350 6.250 1.00 0.00 C ATOM 830 CE1 PHE A 58 1.476 -3.598 8.601 1.00 0.00 C ATOM 831 CE2 PHE A 58 2.679 -5.216 7.326 1.00 0.00 C ATOM 832 CZ PHE A 58 2.073 -4.839 8.503 1.00 0.00 C ATOM 0 H PHE A 58 3.350 -0.045 3.468 1.00 0.00 H new ATOM 0 HA PHE A 58 2.224 -0.243 6.153 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.061 -2.040 4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.622 -2.669 4.327 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.007 -1.769 7.606 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.164 -4.651 5.329 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.002 -3.301 9.525 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.147 -6.186 7.244 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.065 -5.512 9.348 1.00 0.00 H new ATOM 842 N ARG A 59 4.447 -0.833 6.965 1.00 0.00 N ATOM 843 CA ARG A 59 5.749 -1.173 7.435 1.00 0.00 C ATOM 844 C ARG A 59 5.731 -2.639 7.559 1.00 0.00 C ATOM 845 O ARG A 59 5.104 -3.184 8.469 1.00 0.00 O ATOM 846 CB ARG A 59 6.081 -0.551 8.775 1.00 0.00 C ATOM 847 CG ARG A 59 6.276 0.939 8.749 1.00 0.00 C ATOM 848 CD ARG A 59 6.685 1.435 10.114 1.00 0.00 C ATOM 849 NE ARG A 59 7.939 0.825 10.574 1.00 0.00 N ATOM 850 CZ ARG A 59 8.475 1.018 11.778 1.00 0.00 C ATOM 851 NH1 ARG A 59 7.845 1.772 12.685 1.00 0.00 N ATOM 852 NH2 ARG A 59 9.620 0.432 12.089 1.00 0.00 N ATOM 0 H ARG A 59 3.776 -0.595 7.695 1.00 0.00 H new ATOM 0 HA ARG A 59 6.508 -0.800 6.748 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.281 -0.786 9.477 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.989 -1.015 9.160 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.039 1.200 8.015 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.353 1.428 8.438 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.799 2.519 10.086 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.893 1.217 10.830 1.00 0.00 H new ATOM 0 HE ARG A 59 8.434 0.211 9.927 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.949 2.203 12.456 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.260 1.916 13.605 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.089 -0.165 11.408 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.034 0.577 13.010 1.00 0.00 H new ATOM 866 N ASN A 60 6.316 -3.290 6.617 1.00 0.00 N ATOM 867 CA ASN A 60 6.236 -4.674 6.576 1.00 0.00 C ATOM 868 C ASN A 60 7.223 -5.199 7.525 1.00 0.00 C ATOM 869 O ASN A 60 8.412 -5.015 7.381 1.00 0.00 O ATOM 870 CB ASN A 60 6.523 -5.208 5.157 1.00 0.00 C ATOM 871 CG ASN A 60 5.560 -4.715 4.072 1.00 0.00 C ATOM 872 OD1 ASN A 60 5.389 -5.495 3.047 1.00 0.00 O flip ATOM 873 ND2 ASN A 60 5.011 -3.637 4.136 1.00 0.00 N flip ATOM 0 H ASN A 60 6.857 -2.864 5.864 1.00 0.00 H new ATOM 0 HA ASN A 60 5.230 -4.997 6.843 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.538 -4.925 4.877 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.491 -6.297 5.182 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.157 -3.038 4.948 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.403 -3.329 3.377 1.00 0.00 H new ATOM 880 N HIS A 61 6.713 -5.807 8.499 1.00 0.00 N ATOM 881 CA HIS A 61 7.501 -6.487 9.480 1.00 0.00 C ATOM 882 C HIS A 61 7.359 -7.950 9.204 1.00 0.00 C ATOM 883 O HIS A 61 8.329 -8.659 8.947 1.00 0.00 O ATOM 884 CB HIS A 61 6.994 -6.199 10.907 1.00 0.00 C ATOM 885 CG HIS A 61 6.786 -4.750 11.244 1.00 0.00 C ATOM 886 ND1 HIS A 61 7.796 -3.833 11.401 1.00 0.00 N ATOM 887 CD2 HIS A 61 5.632 -4.069 11.451 1.00 0.00 C ATOM 888 CE1 HIS A 61 7.245 -2.656 11.684 1.00 0.00 C ATOM 889 NE2 HIS A 61 5.927 -2.743 11.731 1.00 0.00 N ATOM 0 H HIS A 61 5.708 -5.862 8.664 1.00 0.00 H new ATOM 0 HA HIS A 61 8.536 -6.151 9.421 1.00 0.00 H new ATOM 0 HB2 HIS A 61 6.051 -6.726 11.051 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.705 -6.620 11.617 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.639 -4.492 11.405 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.803 -1.747 11.853 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.266 -1.993 11.931 1.00 0.00 H new ATOM 897 N ASP A 62 6.129 -8.398 9.233 1.00 0.00 N ATOM 898 CA ASP A 62 5.814 -9.770 8.976 1.00 0.00 C ATOM 899 C ASP A 62 5.361 -9.890 7.553 1.00 0.00 C ATOM 900 O ASP A 62 4.335 -9.310 7.166 1.00 0.00 O ATOM 901 CB ASP A 62 4.699 -10.234 9.879 1.00 0.00 C ATOM 902 CG ASP A 62 4.637 -11.731 9.991 1.00 0.00 C ATOM 903 OD1 ASP A 62 4.120 -12.403 9.079 1.00 0.00 O ATOM 904 OD2 ASP A 62 5.111 -12.265 11.011 1.00 0.00 O ATOM 0 H ASP A 62 5.318 -7.814 9.437 1.00 0.00 H new ATOM 0 HA ASP A 62 6.696 -10.383 9.160 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.836 -9.804 10.871 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.748 -9.861 9.498 1.00 0.00 H new ATOM 909 N ILE A 63 6.101 -10.613 6.770 1.00 0.00 N ATOM 910 CA ILE A 63 5.771 -10.790 5.373 1.00 0.00 C ATOM 911 C ILE A 63 4.445 -11.547 5.208 1.00 0.00 C ATOM 912 O ILE A 63 3.657 -11.244 4.329 1.00 0.00 O ATOM 913 CB ILE A 63 6.927 -11.479 4.588 1.00 0.00 C ATOM 914 CG1 ILE A 63 6.602 -11.574 3.095 1.00 0.00 C ATOM 915 CG2 ILE A 63 7.216 -12.860 5.160 1.00 0.00 C ATOM 916 CD1 ILE A 63 7.801 -11.894 2.233 1.00 0.00 C ATOM 0 H ILE A 63 6.947 -11.098 7.070 1.00 0.00 H new ATOM 0 HA ILE A 63 5.641 -9.798 4.940 1.00 0.00 H new ATOM 0 HB ILE A 63 7.820 -10.864 4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.843 -12.341 2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.170 -10.629 2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.026 -13.324 4.598 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.507 -12.767 6.206 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.322 -13.479 5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.495 -11.945 1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.554 -11.115 2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.221 -12.853 2.536 1.00 0.00 H new ATOM 928 N ALA A 64 4.140 -12.433 6.134 1.00 0.00 N ATOM 929 CA ALA A 64 2.931 -13.218 6.030 1.00 0.00 C ATOM 930 C ALA A 64 1.718 -12.395 6.439 1.00 0.00 C ATOM 931 O ALA A 64 0.577 -12.814 6.252 1.00 0.00 O ATOM 932 CB ALA A 64 3.034 -14.490 6.849 1.00 0.00 C ATOM 0 H ALA A 64 4.708 -12.625 6.959 1.00 0.00 H new ATOM 0 HA ALA A 64 2.804 -13.508 4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.111 -15.061 6.752 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.870 -15.089 6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.195 -14.236 7.897 1.00 0.00 H new ATOM 938 N ASP A 65 1.961 -11.218 6.991 1.00 0.00 N ATOM 939 CA ASP A 65 0.879 -10.314 7.369 1.00 0.00 C ATOM 940 C ASP A 65 0.486 -9.505 6.155 1.00 0.00 C ATOM 941 O ASP A 65 -0.695 -9.278 5.898 1.00 0.00 O ATOM 942 CB ASP A 65 1.292 -9.369 8.514 1.00 0.00 C ATOM 943 CG ASP A 65 0.127 -8.517 9.051 1.00 0.00 C ATOM 944 OD1 ASP A 65 -0.342 -7.591 8.361 1.00 0.00 O ATOM 945 OD2 ASP A 65 -0.341 -8.777 10.189 1.00 0.00 O ATOM 0 H ASP A 65 2.897 -10.863 7.189 1.00 0.00 H new ATOM 0 HA ASP A 65 0.038 -10.908 7.727 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.708 -9.959 9.331 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.084 -8.708 8.162 1.00 0.00 H new ATOM 950 N VAL A 66 1.478 -9.109 5.379 1.00 0.00 N ATOM 951 CA VAL A 66 1.223 -8.335 4.185 1.00 0.00 C ATOM 952 C VAL A 66 0.716 -9.239 3.045 1.00 0.00 C ATOM 953 O VAL A 66 -0.154 -8.835 2.275 1.00 0.00 O ATOM 954 CB VAL A 66 2.456 -7.488 3.742 1.00 0.00 C ATOM 955 CG1 VAL A 66 3.610 -8.347 3.280 1.00 0.00 C ATOM 956 CG2 VAL A 66 2.071 -6.470 2.682 1.00 0.00 C ATOM 0 H VAL A 66 2.462 -9.311 5.555 1.00 0.00 H new ATOM 0 HA VAL A 66 0.437 -7.621 4.429 1.00 0.00 H new ATOM 0 HB VAL A 66 2.799 -6.947 4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.442 -7.709 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.926 -9.000 4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.295 -8.952 2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.951 -5.895 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.673 -6.987 1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.313 -5.797 3.082 1.00 0.00 H new ATOM 966 N VAL A 67 1.224 -10.483 2.977 1.00 0.00 N ATOM 967 CA VAL A 67 0.754 -11.455 1.967 1.00 0.00 C ATOM 968 C VAL A 67 -0.707 -11.767 2.219 1.00 0.00 C ATOM 969 O VAL A 67 -1.496 -11.920 1.292 1.00 0.00 O ATOM 970 CB VAL A 67 1.595 -12.766 1.972 1.00 0.00 C ATOM 971 CG1 VAL A 67 1.035 -13.797 0.993 1.00 0.00 C ATOM 972 CG2 VAL A 67 3.025 -12.456 1.610 1.00 0.00 C ATOM 0 H VAL A 67 1.950 -10.838 3.599 1.00 0.00 H new ATOM 0 HA VAL A 67 0.877 -11.004 0.982 1.00 0.00 H new ATOM 0 HB VAL A 67 1.547 -13.189 2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.647 -14.698 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.011 -14.045 1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.047 -13.385 -0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.609 -13.376 1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.060 -12.009 0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.441 -11.758 2.337 1.00 0.00 H new ATOM 982 N ASP A 68 -1.047 -11.815 3.493 1.00 0.00 N ATOM 983 CA ASP A 68 -2.414 -11.975 3.957 1.00 0.00 C ATOM 984 C ASP A 68 -3.304 -10.912 3.329 1.00 0.00 C ATOM 985 O ASP A 68 -4.267 -11.228 2.662 1.00 0.00 O ATOM 986 CB ASP A 68 -2.436 -11.863 5.486 1.00 0.00 C ATOM 987 CG ASP A 68 -3.807 -11.676 6.081 1.00 0.00 C ATOM 988 OD1 ASP A 68 -4.523 -12.669 6.325 1.00 0.00 O ATOM 989 OD2 ASP A 68 -4.161 -10.521 6.382 1.00 0.00 O ATOM 0 H ASP A 68 -0.368 -11.742 4.250 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.794 -12.953 3.663 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.990 -12.763 5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.807 -11.024 5.785 1.00 0.00 H new ATOM 994 N LYS A 69 -2.906 -9.661 3.473 1.00 0.00 N ATOM 995 CA LYS A 69 -3.680 -8.527 2.962 1.00 0.00 C ATOM 996 C LYS A 69 -3.744 -8.580 1.440 1.00 0.00 C ATOM 997 O LYS A 69 -4.807 -8.383 0.842 1.00 0.00 O ATOM 998 CB LYS A 69 -3.033 -7.198 3.381 1.00 0.00 C ATOM 999 CG LYS A 69 -2.732 -7.080 4.861 1.00 0.00 C ATOM 1000 CD LYS A 69 -3.985 -7.178 5.691 1.00 0.00 C ATOM 1001 CE LYS A 69 -3.661 -7.242 7.166 1.00 0.00 C ATOM 1002 NZ LYS A 69 -2.874 -8.438 7.494 1.00 0.00 N ATOM 0 H LYS A 69 -2.041 -9.395 3.945 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.685 -8.589 3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.105 -7.070 2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.694 -6.381 3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.037 -7.867 5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.238 -6.128 5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.623 -6.317 5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.548 -8.065 5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.107 -6.350 7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.586 -7.245 7.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.098 -8.747 8.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.105 -9.200 6.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.860 -8.215 7.428 1.00 0.00 H new ATOM 1016 N ALA A 70 -2.596 -8.863 0.837 1.00 0.00 N ATOM 1017 CA ALA A 70 -2.443 -8.966 -0.607 1.00 0.00 C ATOM 1018 C ALA A 70 -3.387 -10.019 -1.174 1.00 0.00 C ATOM 1019 O ALA A 70 -3.889 -9.881 -2.292 1.00 0.00 O ATOM 1020 CB ALA A 70 -1.005 -9.337 -0.927 1.00 0.00 C ATOM 0 H ALA A 70 -1.730 -9.030 1.349 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.689 -8.006 -1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.881 -9.416 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.336 -8.568 -0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.764 -10.293 -0.463 1.00 0.00 H new ATOM 1026 N LYS A 71 -3.620 -11.051 -0.395 1.00 0.00 N ATOM 1027 CA LYS A 71 -4.493 -12.127 -0.769 1.00 0.00 C ATOM 1028 C LYS A 71 -5.953 -11.762 -0.524 1.00 0.00 C ATOM 1029 O LYS A 71 -6.750 -11.725 -1.455 1.00 0.00 O ATOM 1030 CB LYS A 71 -4.160 -13.387 0.026 1.00 0.00 C ATOM 1031 CG LYS A 71 -5.072 -14.550 -0.307 1.00 0.00 C ATOM 1032 CD LYS A 71 -4.867 -15.741 0.611 1.00 0.00 C ATOM 1033 CE LYS A 71 -5.232 -15.424 2.054 1.00 0.00 C ATOM 1034 NZ LYS A 71 -5.195 -16.632 2.899 1.00 0.00 N ATOM 0 H LYS A 71 -3.200 -11.163 0.528 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.345 -12.312 -1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.127 -13.673 -0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.232 -13.168 1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.109 -14.222 -0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.899 -14.858 -1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.473 -16.577 0.260 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.826 -16.060 0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.541 -14.680 2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.229 -14.984 2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.449 -16.380 3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.873 -17.332 2.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.237 -17.037 2.884 1.00 0.00 H new ATOM 1048 N VAL A 72 -6.274 -11.487 0.735 1.00 0.00 N ATOM 1049 CA VAL A 72 -7.647 -11.238 1.188 1.00 0.00 C ATOM 1050 C VAL A 72 -8.326 -10.127 0.391 1.00 0.00 C ATOM 1051 O VAL A 72 -9.342 -10.356 -0.263 1.00 0.00 O ATOM 1052 CB VAL A 72 -7.694 -10.881 2.703 1.00 0.00 C ATOM 1053 CG1 VAL A 72 -9.108 -10.667 3.166 1.00 0.00 C ATOM 1054 CG2 VAL A 72 -7.035 -11.952 3.545 1.00 0.00 C ATOM 0 H VAL A 72 -5.583 -11.429 1.483 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.191 -12.167 1.020 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.138 -9.952 2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.110 -10.419 4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.556 -9.849 2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.685 -11.577 3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.086 -11.670 4.597 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.552 -12.900 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.992 -12.058 3.248 1.00 0.00 H new ATOM 1064 N LEU A 73 -7.750 -8.941 0.428 1.00 0.00 N ATOM 1065 CA LEU A 73 -8.330 -7.805 -0.274 1.00 0.00 C ATOM 1066 C LEU A 73 -8.030 -7.846 -1.763 1.00 0.00 C ATOM 1067 O LEU A 73 -8.674 -7.145 -2.538 1.00 0.00 O ATOM 1068 CB LEU A 73 -7.869 -6.441 0.299 1.00 0.00 C ATOM 1069 CG LEU A 73 -8.086 -6.174 1.799 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -9.440 -6.675 2.273 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -6.947 -6.717 2.640 1.00 0.00 C ATOM 0 H LEU A 73 -6.887 -8.736 0.932 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.405 -7.893 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.804 -6.335 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.381 -5.656 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.087 -5.092 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.553 -6.467 3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.230 -6.168 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.510 -7.750 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.140 -6.507 3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.868 -7.794 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.014 -6.240 2.340 1.00 0.00 H new ATOM 1083 N SER A 74 -7.077 -8.696 -2.153 1.00 0.00 N ATOM 1084 CA SER A 74 -6.600 -8.786 -3.525 1.00 0.00 C ATOM 1085 C SER A 74 -6.085 -7.414 -3.988 1.00 0.00 C ATOM 1086 O SER A 74 -6.745 -6.687 -4.740 1.00 0.00 O ATOM 1087 CB SER A 74 -7.677 -9.370 -4.470 1.00 0.00 C ATOM 1088 OG SER A 74 -7.203 -9.511 -5.802 1.00 0.00 O ATOM 0 H SER A 74 -6.614 -9.344 -1.516 1.00 0.00 H new ATOM 0 HA SER A 74 -5.765 -9.486 -3.562 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.998 -10.342 -4.096 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.553 -8.721 -4.465 1.00 0.00 H new ATOM 0 HG SER A 74 -7.914 -9.884 -6.364 1.00 0.00 H new ATOM 1094 N LEU A 75 -4.931 -7.055 -3.472 1.00 0.00 N ATOM 1095 CA LEU A 75 -4.323 -5.763 -3.719 1.00 0.00 C ATOM 1096 C LEU A 75 -3.689 -5.682 -5.091 1.00 0.00 C ATOM 1097 O LEU A 75 -3.726 -6.636 -5.879 1.00 0.00 O ATOM 1098 CB LEU A 75 -3.277 -5.488 -2.650 1.00 0.00 C ATOM 1099 CG LEU A 75 -3.790 -5.505 -1.221 1.00 0.00 C ATOM 1100 CD1 LEU A 75 -2.640 -5.340 -0.253 1.00 0.00 C ATOM 1101 CD2 LEU A 75 -4.827 -4.413 -1.023 1.00 0.00 C ATOM 0 H LEU A 75 -4.380 -7.658 -2.861 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.110 -5.010 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.483 -6.229 -2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.828 -4.514 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.266 -6.466 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.020 -5.354 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.931 -6.157 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.139 -4.390 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.187 -4.435 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.377 -3.442 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.662 -4.577 -1.704 1.00 0.00 H new ATOM 1113 N ALA A 76 -3.102 -4.551 -5.367 1.00 0.00 N ATOM 1114 CA ALA A 76 -2.462 -4.329 -6.633 1.00 0.00 C ATOM 1115 C ALA A 76 -1.071 -3.846 -6.398 1.00 0.00 C ATOM 1116 O ALA A 76 -0.176 -4.118 -7.166 1.00 0.00 O ATOM 1117 CB ALA A 76 -3.234 -3.342 -7.473 1.00 0.00 C ATOM 0 H ALA A 76 -3.054 -3.761 -4.724 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.434 -5.269 -7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.723 -3.196 -8.425 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.238 -3.726 -7.655 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.300 -2.390 -6.947 1.00 0.00 H new ATOM 1123 N ALA A 77 -0.892 -3.082 -5.344 1.00 0.00 N ATOM 1124 CA ALA A 77 0.411 -2.661 -4.951 1.00 0.00 C ATOM 1125 C ALA A 77 0.485 -2.484 -3.460 1.00 0.00 C ATOM 1126 O ALA A 77 -0.541 -2.357 -2.787 1.00 0.00 O ATOM 1127 CB ALA A 77 0.771 -1.381 -5.633 1.00 0.00 C ATOM 0 H ALA A 77 -1.646 -2.743 -4.747 1.00 0.00 H new ATOM 0 HA ALA A 77 1.121 -3.433 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.769 -1.072 -5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.756 -1.527 -6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.051 -0.609 -5.361 1.00 0.00 H new ATOM 1133 N VAL A 78 1.681 -2.500 -2.962 1.00 0.00 N ATOM 1134 CA VAL A 78 1.966 -2.264 -1.568 1.00 0.00 C ATOM 1135 C VAL A 78 3.233 -1.416 -1.479 1.00 0.00 C ATOM 1136 O VAL A 78 4.158 -1.581 -2.282 1.00 0.00 O ATOM 1137 CB VAL A 78 2.164 -3.587 -0.782 1.00 0.00 C ATOM 1138 CG1 VAL A 78 3.301 -4.395 -1.387 1.00 0.00 C ATOM 1139 CG2 VAL A 78 2.432 -3.315 0.697 1.00 0.00 C ATOM 0 H VAL A 78 2.514 -2.682 -3.523 1.00 0.00 H new ATOM 0 HA VAL A 78 1.117 -1.749 -1.119 1.00 0.00 H new ATOM 0 HB VAL A 78 1.243 -4.165 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.429 -5.320 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.068 -4.630 -2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.223 -3.815 -1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.567 -4.261 1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.334 -2.712 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.587 -2.778 1.127 1.00 0.00 H new ATOM 1149 N GLN A 79 3.232 -0.448 -0.624 1.00 0.00 N ATOM 1150 CA GLN A 79 4.334 0.378 -0.434 1.00 0.00 C ATOM 1151 C GLN A 79 5.112 -0.121 0.719 1.00 0.00 C ATOM 1152 O GLN A 79 4.620 -0.177 1.851 1.00 0.00 O ATOM 1153 CB GLN A 79 3.896 1.803 -0.260 1.00 0.00 C ATOM 1154 CG GLN A 79 3.569 2.508 -1.551 1.00 0.00 C ATOM 1155 CD GLN A 79 2.365 1.955 -2.270 1.00 0.00 C ATOM 1156 OE1 GLN A 79 1.271 2.414 -2.064 1.00 0.00 O ATOM 1157 NE2 GLN A 79 2.559 0.924 -3.083 1.00 0.00 N ATOM 0 H GLN A 79 2.434 -0.219 -0.032 1.00 0.00 H new ATOM 0 HA GLN A 79 4.979 0.358 -1.312 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.019 1.826 0.386 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.684 2.354 0.253 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.400 3.564 -1.342 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.433 2.448 -2.213 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.501 0.563 -3.233 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.766 0.493 -3.558 1.00 0.00 H new ATOM 1166 N LEU A 80 6.308 -0.480 0.428 1.00 0.00 N ATOM 1167 CA LEU A 80 7.148 -1.155 1.338 1.00 0.00 C ATOM 1168 C LEU A 80 8.128 -0.217 1.994 1.00 0.00 C ATOM 1169 O LEU A 80 8.842 0.547 1.323 1.00 0.00 O ATOM 1170 CB LEU A 80 7.860 -2.275 0.576 1.00 0.00 C ATOM 1171 CG LEU A 80 8.960 -3.063 1.285 1.00 0.00 C ATOM 1172 CD1 LEU A 80 8.472 -3.670 2.582 1.00 0.00 C ATOM 1173 CD2 LEU A 80 9.449 -4.148 0.364 1.00 0.00 C ATOM 0 H LEU A 80 6.740 -0.305 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 80 6.553 -1.577 2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.101 -2.987 0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.294 -1.838 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 80 9.771 -2.378 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.285 -4.222 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.135 -2.878 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.644 -4.349 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.235 -4.718 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.622 -4.812 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.844 -3.700 -0.548 1.00 0.00 H new ATOM 1185 N HIS A 81 8.124 -0.235 3.291 1.00 0.00 N ATOM 1186 CA HIS A 81 9.098 0.484 4.054 1.00 0.00 C ATOM 1187 C HIS A 81 10.302 -0.405 4.233 1.00 0.00 C ATOM 1188 O HIS A 81 10.332 -1.279 5.096 1.00 0.00 O ATOM 1189 CB HIS A 81 8.542 0.950 5.396 1.00 0.00 C ATOM 1190 CG HIS A 81 7.498 2.015 5.273 1.00 0.00 C ATOM 1191 ND1 HIS A 81 6.151 1.770 5.258 1.00 0.00 N ATOM 1192 CD2 HIS A 81 7.632 3.358 5.180 1.00 0.00 C ATOM 1193 CE1 HIS A 81 5.516 2.931 5.164 1.00 0.00 C ATOM 1194 NE2 HIS A 81 6.368 3.935 5.112 1.00 0.00 N ATOM 0 H HIS A 81 7.445 -0.749 3.852 1.00 0.00 H new ATOM 0 HA HIS A 81 9.382 1.390 3.518 1.00 0.00 H new ATOM 0 HB2 HIS A 81 8.117 0.094 5.921 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.361 1.325 6.009 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.711 0.851 5.310 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.569 3.895 5.162 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.442 3.039 5.134 1.00 0.00 H new ATOM 1202 N GLY A 82 11.263 -0.212 3.358 1.00 0.00 N ATOM 1203 CA GLY A 82 12.449 -1.033 3.328 1.00 0.00 C ATOM 1204 C GLY A 82 13.363 -0.871 4.526 1.00 0.00 C ATOM 1205 O GLY A 82 14.265 -1.673 4.729 1.00 0.00 O ATOM 0 H GLY A 82 11.243 0.519 2.647 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.149 -2.078 3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.012 -0.800 2.424 1.00 0.00 H new ATOM 1209 N ASN A 83 13.127 0.160 5.309 1.00 0.00 N ATOM 1210 CA ASN A 83 13.907 0.444 6.520 1.00 0.00 C ATOM 1211 C ASN A 83 13.910 -0.733 7.504 1.00 0.00 C ATOM 1212 O ASN A 83 14.832 -0.864 8.306 1.00 0.00 O ATOM 1213 CB ASN A 83 13.427 1.736 7.219 1.00 0.00 C ATOM 1214 CG ASN A 83 11.956 1.705 7.602 1.00 0.00 C ATOM 1215 OD1 ASN A 83 11.099 2.106 6.816 1.00 0.00 O ATOM 1216 ND2 ASN A 83 11.652 1.267 8.792 1.00 0.00 N ATOM 0 H ASN A 83 12.385 0.837 5.132 1.00 0.00 H new ATOM 0 HA ASN A 83 14.935 0.596 6.191 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.025 1.899 8.116 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.605 2.585 6.559 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.678 1.250 9.096 1.00 0.00 H new ATOM 0 HD22 ASN A 83 12.388 0.942 9.419 1.00 0.00 H new ATOM 1223 N GLU A 84 12.873 -1.569 7.438 1.00 0.00 N ATOM 1224 CA GLU A 84 12.718 -2.722 8.303 1.00 0.00 C ATOM 1225 C GLU A 84 13.911 -3.699 8.221 1.00 0.00 C ATOM 1226 O GLU A 84 14.448 -4.122 9.257 1.00 0.00 O ATOM 1227 CB GLU A 84 11.380 -3.398 8.000 1.00 0.00 C ATOM 1228 CG GLU A 84 10.277 -3.120 9.036 1.00 0.00 C ATOM 1229 CD GLU A 84 10.199 -1.679 9.532 1.00 0.00 C ATOM 1230 OE1 GLU A 84 10.874 -1.362 10.553 1.00 0.00 O ATOM 1231 OE2 GLU A 84 9.445 -0.858 8.973 1.00 0.00 O ATOM 0 H GLU A 84 12.110 -1.456 6.770 1.00 0.00 H new ATOM 0 HA GLU A 84 12.712 -2.381 9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.033 -3.067 7.021 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.537 -4.475 7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.315 -3.390 8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.433 -3.774 9.894 1.00 0.00 H new ATOM 1238 N GLU A 85 14.330 -4.016 7.020 1.00 0.00 N ATOM 1239 CA GLU A 85 15.458 -4.878 6.756 1.00 0.00 C ATOM 1240 C GLU A 85 15.681 -4.771 5.265 1.00 0.00 C ATOM 1241 O GLU A 85 14.726 -4.741 4.541 1.00 0.00 O ATOM 1242 CB GLU A 85 15.129 -6.309 7.170 1.00 0.00 C ATOM 1243 CG GLU A 85 16.346 -7.175 7.420 1.00 0.00 C ATOM 1244 CD GLU A 85 17.198 -7.425 6.207 1.00 0.00 C ATOM 1245 OE1 GLU A 85 16.769 -8.148 5.312 1.00 0.00 O ATOM 1246 OE2 GLU A 85 18.317 -6.877 6.129 1.00 0.00 O ATOM 0 H GLU A 85 13.881 -3.670 6.172 1.00 0.00 H new ATOM 0 HA GLU A 85 16.350 -4.594 7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 85 14.522 -6.284 8.075 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.521 -6.771 6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 85 16.960 -6.703 8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 85 16.017 -8.134 7.820 1.00 0.00 H new ATOM 1253 N GLN A 86 16.920 -4.749 4.824 1.00 0.00 N ATOM 1254 CA GLN A 86 17.277 -4.403 3.472 1.00 0.00 C ATOM 1255 C GLN A 86 17.047 -5.517 2.474 1.00 0.00 C ATOM 1256 O GLN A 86 16.551 -5.298 1.369 1.00 0.00 O ATOM 1257 CB GLN A 86 18.738 -3.952 3.428 1.00 0.00 C ATOM 1258 CG GLN A 86 19.029 -2.564 4.026 1.00 0.00 C ATOM 1259 CD GLN A 86 18.832 -2.461 5.540 1.00 0.00 C ATOM 1260 OE1 GLN A 86 19.182 -3.496 6.272 1.00 0.00 O flip ATOM 1261 NE2 GLN A 86 18.432 -1.418 6.045 1.00 0.00 N flip ATOM 0 H GLN A 86 17.722 -4.977 5.411 1.00 0.00 H new ATOM 0 HA GLN A 86 16.615 -3.590 3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 86 19.342 -4.689 3.958 1.00 0.00 H new ATOM 0 HB3 GLN A 86 19.069 -3.956 2.389 1.00 0.00 H new ATOM 0 HG2 GLN A 86 20.057 -2.290 3.789 1.00 0.00 H new ATOM 0 HG3 GLN A 86 18.384 -1.832 3.540 1.00 0.00 H new ATOM 0 HE21 GLN A 86 18.168 -0.632 5.451 1.00 0.00 H new ATOM 0 HE22 GLN A 86 18.363 -1.336 7.059 1.00 0.00 H new ATOM 1270 N LEU A 87 17.388 -6.689 2.856 1.00 0.00 N ATOM 1271 CA LEU A 87 17.345 -7.822 1.964 1.00 0.00 C ATOM 1272 C LEU A 87 15.958 -8.395 1.930 1.00 0.00 C ATOM 1273 O LEU A 87 15.549 -9.041 0.975 1.00 0.00 O ATOM 1274 CB LEU A 87 18.331 -8.838 2.426 1.00 0.00 C ATOM 1275 CG LEU A 87 19.715 -8.272 2.607 1.00 0.00 C ATOM 1276 CD1 LEU A 87 20.633 -9.262 3.270 1.00 0.00 C ATOM 1277 CD2 LEU A 87 20.283 -7.794 1.289 1.00 0.00 C ATOM 0 H LEU A 87 17.709 -6.908 3.799 1.00 0.00 H new ATOM 0 HA LEU A 87 17.604 -7.511 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 87 17.991 -9.263 3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 87 18.369 -9.654 1.705 1.00 0.00 H new ATOM 0 HG LEU A 87 19.635 -7.409 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.623 -8.820 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.237 -9.525 4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.705 -10.159 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 87 21.283 -7.390 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 87 20.336 -8.630 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 87 19.640 -7.017 0.876 1.00 0.00 H new ATOM 1289 N TYR A 88 15.258 -8.131 2.999 1.00 0.00 N ATOM 1290 CA TYR A 88 13.872 -8.467 3.208 1.00 0.00 C ATOM 1291 C TYR A 88 12.984 -7.999 2.051 1.00 0.00 C ATOM 1292 O TYR A 88 12.018 -8.658 1.703 1.00 0.00 O ATOM 1293 CB TYR A 88 13.459 -7.821 4.522 1.00 0.00 C ATOM 1294 CG TYR A 88 12.006 -7.859 4.857 1.00 0.00 C ATOM 1295 CD1 TYR A 88 11.343 -9.065 5.003 1.00 0.00 C ATOM 1296 CD2 TYR A 88 11.294 -6.675 5.040 1.00 0.00 C ATOM 1297 CE1 TYR A 88 10.011 -9.111 5.320 1.00 0.00 C ATOM 1298 CE2 TYR A 88 9.954 -6.716 5.368 1.00 0.00 C ATOM 1299 CZ TYR A 88 9.316 -7.941 5.505 1.00 0.00 C ATOM 1300 OH TYR A 88 7.984 -7.995 5.837 1.00 0.00 O ATOM 0 H TYR A 88 15.664 -7.645 3.799 1.00 0.00 H new ATOM 0 HA TYR A 88 13.748 -9.549 3.249 1.00 0.00 H new ATOM 0 HB2 TYR A 88 14.007 -8.308 5.328 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.777 -6.779 4.504 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.886 -9.988 4.864 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.792 -5.724 4.925 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.510 -10.062 5.424 1.00 0.00 H new ATOM 0 HE2 TYR A 88 9.404 -5.799 5.517 1.00 0.00 H new ATOM 0 HH TYR A 88 7.489 -8.461 5.131 1.00 0.00 H new ATOM 1310 N ILE A 89 13.344 -6.895 1.438 1.00 0.00 N ATOM 1311 CA ILE A 89 12.587 -6.343 0.311 1.00 0.00 C ATOM 1312 C ILE A 89 12.546 -7.352 -0.828 1.00 0.00 C ATOM 1313 O ILE A 89 11.494 -7.568 -1.454 1.00 0.00 O ATOM 1314 CB ILE A 89 13.188 -4.988 -0.219 1.00 0.00 C ATOM 1315 CG1 ILE A 89 12.965 -3.813 0.722 1.00 0.00 C ATOM 1316 CG2 ILE A 89 12.651 -4.630 -1.576 1.00 0.00 C ATOM 1317 CD1 ILE A 89 13.763 -3.866 1.952 1.00 0.00 C ATOM 0 H ILE A 89 14.165 -6.348 1.696 1.00 0.00 H new ATOM 0 HA ILE A 89 11.581 -6.137 0.676 1.00 0.00 H new ATOM 0 HB ILE A 89 14.261 -5.169 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 89 13.196 -2.889 0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.909 -3.772 0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 89 13.091 -3.689 -1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 89 12.904 -5.417 -2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 89 11.567 -4.525 -1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 89 13.544 -2.992 2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 89 13.516 -4.771 2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 89 14.823 -3.874 1.698 1.00 0.00 H new ATOM 1329 N ASP A 90 13.665 -8.016 -1.032 1.00 0.00 N ATOM 1330 CA ASP A 90 13.825 -9.000 -2.111 1.00 0.00 C ATOM 1331 C ASP A 90 12.949 -10.236 -1.846 1.00 0.00 C ATOM 1332 O ASP A 90 12.644 -11.003 -2.740 1.00 0.00 O ATOM 1333 CB ASP A 90 15.295 -9.402 -2.194 1.00 0.00 C ATOM 1334 CG ASP A 90 15.678 -10.085 -3.508 1.00 0.00 C ATOM 1335 OD1 ASP A 90 16.069 -9.371 -4.469 1.00 0.00 O ATOM 1336 OD2 ASP A 90 15.639 -11.332 -3.598 1.00 0.00 O ATOM 0 H ASP A 90 14.499 -7.896 -0.458 1.00 0.00 H new ATOM 0 HA ASP A 90 13.509 -8.559 -3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.912 -8.513 -2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.525 -10.073 -1.367 1.00 0.00 H new ATOM 1341 N THR A 91 12.486 -10.330 -0.626 1.00 0.00 N ATOM 1342 CA THR A 91 11.709 -11.423 -0.118 1.00 0.00 C ATOM 1343 C THR A 91 10.226 -11.160 -0.388 1.00 0.00 C ATOM 1344 O THR A 91 9.501 -12.037 -0.856 1.00 0.00 O ATOM 1345 CB THR A 91 11.962 -11.537 1.402 1.00 0.00 C ATOM 1346 OG1 THR A 91 13.365 -11.704 1.662 1.00 0.00 O ATOM 1347 CG2 THR A 91 11.187 -12.665 2.002 1.00 0.00 C ATOM 0 H THR A 91 12.652 -9.606 0.074 1.00 0.00 H new ATOM 0 HA THR A 91 11.994 -12.354 -0.608 1.00 0.00 H new ATOM 0 HB THR A 91 11.621 -10.612 1.867 1.00 0.00 H new ATOM 0 HG1 THR A 91 13.513 -11.773 2.628 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.389 -12.716 3.072 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.122 -12.501 1.841 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.485 -13.602 1.531 1.00 0.00 H new ATOM 1355 N LEU A 92 9.790 -9.934 -0.081 1.00 0.00 N ATOM 1356 CA LEU A 92 8.406 -9.486 -0.330 1.00 0.00 C ATOM 1357 C LEU A 92 7.885 -9.866 -1.694 1.00 0.00 C ATOM 1358 O LEU A 92 6.825 -10.474 -1.793 1.00 0.00 O ATOM 1359 CB LEU A 92 8.184 -7.973 -0.109 1.00 0.00 C ATOM 1360 CG LEU A 92 8.028 -7.459 1.325 1.00 0.00 C ATOM 1361 CD1 LEU A 92 6.975 -8.217 2.046 1.00 0.00 C ATOM 1362 CD2 LEU A 92 9.297 -7.521 2.086 1.00 0.00 C ATOM 0 H LEU A 92 10.381 -9.221 0.347 1.00 0.00 H new ATOM 0 HA LEU A 92 7.834 -10.026 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.024 -7.445 -0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.291 -7.685 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 92 7.734 -6.412 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.882 -7.834 3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.024 -8.102 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.245 -9.273 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.134 -7.146 3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.643 -8.554 2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.050 -6.909 1.589 1.00 0.00 H new ATOM 1374 N ARG A 93 8.647 -9.553 -2.744 1.00 0.00 N ATOM 1375 CA ARG A 93 8.184 -9.862 -4.149 1.00 0.00 C ATOM 1376 C ARG A 93 7.884 -11.321 -4.339 1.00 0.00 C ATOM 1377 O ARG A 93 7.008 -11.695 -5.114 1.00 0.00 O ATOM 1378 CB ARG A 93 9.182 -9.481 -5.256 1.00 0.00 C ATOM 1379 CG ARG A 93 9.407 -8.020 -5.446 1.00 0.00 C ATOM 1380 CD ARG A 93 10.351 -7.483 -4.427 1.00 0.00 C ATOM 1381 NE ARG A 93 11.721 -7.863 -4.707 1.00 0.00 N ATOM 1382 CZ ARG A 93 12.725 -7.011 -4.794 1.00 0.00 C ATOM 1383 NH1 ARG A 93 12.497 -5.712 -4.695 1.00 0.00 N ATOM 1384 NH2 ARG A 93 13.946 -7.452 -5.024 1.00 0.00 N ATOM 0 H ARG A 93 9.559 -9.101 -2.682 1.00 0.00 H new ATOM 0 HA ARG A 93 7.290 -9.247 -4.248 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.140 -9.952 -5.035 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.830 -9.902 -6.198 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.804 -7.837 -6.445 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.456 -7.491 -5.379 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.274 -6.396 -4.398 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.067 -7.849 -3.440 1.00 0.00 H new ATOM 0 HE ARG A 93 11.922 -8.853 -4.846 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.547 -5.370 -4.552 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.272 -5.052 -4.762 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.115 -8.452 -5.135 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.722 -6.793 -5.091 1.00 0.00 H new ATOM 1398 N GLU A 94 8.580 -12.123 -3.606 1.00 0.00 N ATOM 1399 CA GLU A 94 8.507 -13.566 -3.786 1.00 0.00 C ATOM 1400 C GLU A 94 7.233 -14.134 -3.199 1.00 0.00 C ATOM 1401 O GLU A 94 6.698 -15.131 -3.694 1.00 0.00 O ATOM 1402 CB GLU A 94 9.707 -14.248 -3.163 1.00 0.00 C ATOM 1403 CG GLU A 94 11.010 -13.601 -3.539 1.00 0.00 C ATOM 1404 CD GLU A 94 12.211 -14.389 -3.096 1.00 0.00 C ATOM 1405 OE1 GLU A 94 12.385 -14.631 -1.887 1.00 0.00 O ATOM 1406 OE2 GLU A 94 12.993 -14.814 -3.964 1.00 0.00 O ATOM 0 H GLU A 94 9.215 -11.819 -2.868 1.00 0.00 H new ATOM 0 HA GLU A 94 8.506 -13.758 -4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.602 -14.237 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.724 -15.293 -3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.046 -13.473 -4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.054 -12.605 -3.099 1.00 0.00 H new ATOM 1413 N ALA A 95 6.750 -13.512 -2.160 1.00 0.00 N ATOM 1414 CA ALA A 95 5.559 -14.004 -1.490 1.00 0.00 C ATOM 1415 C ALA A 95 4.285 -13.331 -1.982 1.00 0.00 C ATOM 1416 O ALA A 95 3.186 -13.897 -1.912 1.00 0.00 O ATOM 1417 CB ALA A 95 5.708 -13.926 0.009 1.00 0.00 C ATOM 0 H ALA A 95 7.153 -12.668 -1.754 1.00 0.00 H new ATOM 0 HA ALA A 95 5.455 -15.056 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.802 -14.301 0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.559 -14.531 0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.871 -12.890 0.305 1.00 0.00 H new ATOM 1423 N LEU A 96 4.448 -12.167 -2.508 1.00 0.00 N ATOM 1424 CA LEU A 96 3.337 -11.385 -3.044 1.00 0.00 C ATOM 1425 C LEU A 96 2.929 -11.936 -4.384 1.00 0.00 C ATOM 1426 O LEU A 96 3.787 -12.197 -5.223 1.00 0.00 O ATOM 1427 CB LEU A 96 3.715 -9.905 -3.165 1.00 0.00 C ATOM 1428 CG LEU A 96 4.031 -9.186 -1.848 1.00 0.00 C ATOM 1429 CD1 LEU A 96 4.447 -7.760 -2.113 1.00 0.00 C ATOM 1430 CD2 LEU A 96 2.836 -9.221 -0.904 1.00 0.00 C ATOM 0 H LEU A 96 5.355 -11.708 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 96 2.495 -11.459 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.584 -9.824 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.896 -9.380 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 96 4.858 -9.710 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.668 -7.264 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.336 -7.752 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.638 -7.233 -2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.088 -8.704 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.986 -8.728 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.578 -10.256 -0.682 1.00 0.00 H new ATOM 1442 N PRO A 97 1.616 -12.162 -4.596 1.00 0.00 N ATOM 1443 CA PRO A 97 1.102 -12.712 -5.846 1.00 0.00 C ATOM 1444 C PRO A 97 1.430 -11.831 -7.049 1.00 0.00 C ATOM 1445 O PRO A 97 1.780 -10.651 -6.901 1.00 0.00 O ATOM 1446 CB PRO A 97 -0.413 -12.806 -5.627 1.00 0.00 C ATOM 1447 CG PRO A 97 -0.690 -11.886 -4.506 1.00 0.00 C ATOM 1448 CD PRO A 97 0.529 -11.902 -3.636 1.00 0.00 C ATOM 0 HA PRO A 97 1.556 -13.676 -6.074 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.961 -12.514 -6.523 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.715 -13.825 -5.386 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.894 -10.879 -4.871 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.570 -12.207 -3.948 1.00 0.00 H new ATOM 0 HD2 PRO A 97 0.667 -10.954 -3.117 1.00 0.00 H new ATOM 0 HD3 PRO A 97 0.470 -12.678 -2.873 1.00 0.00 H new ATOM 1456 N ALA A 98 1.269 -12.406 -8.219 1.00 0.00 N ATOM 1457 CA ALA A 98 1.641 -11.803 -9.506 1.00 0.00 C ATOM 1458 C ALA A 98 1.060 -10.411 -9.703 1.00 0.00 C ATOM 1459 O ALA A 98 1.710 -9.525 -10.247 1.00 0.00 O ATOM 1460 CB ALA A 98 1.172 -12.701 -10.628 1.00 0.00 C ATOM 0 H ALA A 98 0.863 -13.337 -8.319 1.00 0.00 H new ATOM 0 HA ALA A 98 2.726 -11.700 -9.511 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.445 -12.259 -11.586 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.643 -13.679 -10.532 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.089 -12.813 -10.576 1.00 0.00 H new ATOM 1466 N HIS A 99 -0.138 -10.221 -9.238 1.00 0.00 N ATOM 1467 CA HIS A 99 -0.840 -8.964 -9.420 1.00 0.00 C ATOM 1468 C HIS A 99 -0.524 -7.907 -8.351 1.00 0.00 C ATOM 1469 O HIS A 99 -0.929 -6.756 -8.497 1.00 0.00 O ATOM 1470 CB HIS A 99 -2.361 -9.192 -9.575 1.00 0.00 C ATOM 1471 CG HIS A 99 -2.944 -10.098 -8.560 1.00 0.00 C ATOM 1472 ND1 HIS A 99 -3.448 -11.344 -8.834 1.00 0.00 N ATOM 1473 CD2 HIS A 99 -3.065 -9.925 -7.265 1.00 0.00 C ATOM 1474 CE1 HIS A 99 -3.848 -11.882 -7.690 1.00 0.00 C ATOM 1475 NE2 HIS A 99 -3.634 -11.049 -6.690 1.00 0.00 N ATOM 0 H HIS A 99 -0.665 -10.925 -8.721 1.00 0.00 H new ATOM 0 HA HIS A 99 -0.460 -8.544 -10.351 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -2.869 -8.229 -9.521 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -2.557 -9.601 -10.566 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -2.765 -9.038 -6.727 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -4.287 -12.864 -7.591 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -3.843 -11.200 -5.703 1.00 0.00 H new ATOM 1483 N VAL A 100 0.196 -8.268 -7.288 1.00 0.00 N ATOM 1484 CA VAL A 100 0.530 -7.320 -6.302 1.00 0.00 C ATOM 1485 C VAL A 100 1.940 -6.827 -6.541 1.00 0.00 C ATOM 1486 O VAL A 100 2.894 -7.609 -6.645 1.00 0.00 O ATOM 1487 CB VAL A 100 0.382 -7.905 -4.898 1.00 0.00 C ATOM 1488 CG1 VAL A 100 0.861 -6.931 -3.869 1.00 0.00 C ATOM 1489 CG2 VAL A 100 -1.057 -8.285 -4.636 1.00 0.00 C ATOM 0 H VAL A 100 0.543 -9.212 -7.116 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.159 -6.478 -6.372 1.00 0.00 H new ATOM 0 HB VAL A 100 0.996 -8.803 -4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.748 -7.366 -2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.912 -6.701 -4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.273 -6.015 -3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.147 -8.700 -3.632 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.688 -7.400 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.376 -9.029 -5.366 1.00 0.00 H new ATOM 1499 N ALA A 101 2.044 -5.562 -6.650 1.00 0.00 N ATOM 1500 CA ALA A 101 3.271 -4.893 -6.943 1.00 0.00 C ATOM 1501 C ALA A 101 3.787 -4.193 -5.707 1.00 0.00 C ATOM 1502 O ALA A 101 3.097 -4.120 -4.694 1.00 0.00 O ATOM 1503 CB ALA A 101 3.045 -3.895 -8.060 1.00 0.00 C ATOM 0 H ALA A 101 1.253 -4.928 -6.535 1.00 0.00 H new ATOM 0 HA ALA A 101 4.016 -5.622 -7.262 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.981 -3.383 -8.285 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.694 -4.418 -8.950 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.297 -3.165 -7.750 1.00 0.00 H new ATOM 1509 N ILE A 102 4.962 -3.669 -5.790 1.00 0.00 N ATOM 1510 CA ILE A 102 5.576 -2.983 -4.704 1.00 0.00 C ATOM 1511 C ILE A 102 5.973 -1.608 -5.159 1.00 0.00 C ATOM 1512 O ILE A 102 6.603 -1.451 -6.216 1.00 0.00 O ATOM 1513 CB ILE A 102 6.837 -3.718 -4.177 1.00 0.00 C ATOM 1514 CG1 ILE A 102 6.473 -5.053 -3.491 1.00 0.00 C ATOM 1515 CG2 ILE A 102 7.617 -2.792 -3.256 1.00 0.00 C ATOM 1516 CD1 ILE A 102 7.672 -5.853 -2.998 1.00 0.00 C ATOM 0 H ILE A 102 5.535 -3.706 -6.633 1.00 0.00 H new ATOM 0 HA ILE A 102 4.852 -2.938 -3.890 1.00 0.00 H new ATOM 0 HB ILE A 102 7.475 -3.977 -5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.817 -4.846 -2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.906 -5.665 -4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.503 -3.308 -2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.920 -1.901 -3.807 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.988 -2.502 -2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 102 7.327 -6.775 -2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 102 8.320 -6.095 -3.841 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.229 -5.263 -2.270 1.00 0.00 H new ATOM 1528 N TRP A 103 5.621 -0.617 -4.393 1.00 0.00 N ATOM 1529 CA TRP A 103 6.005 0.727 -4.751 1.00 0.00 C ATOM 1530 C TRP A 103 6.854 1.350 -3.684 1.00 0.00 C ATOM 1531 O TRP A 103 6.840 0.927 -2.513 1.00 0.00 O ATOM 1532 CB TRP A 103 4.822 1.643 -5.022 1.00 0.00 C ATOM 1533 CG TRP A 103 3.862 1.207 -6.085 1.00 0.00 C ATOM 1534 CD1 TRP A 103 4.038 0.277 -7.067 1.00 0.00 C ATOM 1535 CD2 TRP A 103 2.567 1.735 -6.259 1.00 0.00 C ATOM 1536 NE1 TRP A 103 2.896 0.184 -7.823 1.00 0.00 N ATOM 1537 CE2 TRP A 103 1.982 1.088 -7.349 1.00 0.00 C ATOM 1538 CE3 TRP A 103 1.850 2.699 -5.577 1.00 0.00 C ATOM 1539 CZ2 TRP A 103 0.692 1.379 -7.775 1.00 0.00 C ATOM 1540 CZ3 TRP A 103 0.574 2.999 -5.995 1.00 0.00 C ATOM 1541 CH2 TRP A 103 0.007 2.339 -7.088 1.00 0.00 C ATOM 0 H TRP A 103 5.080 -0.704 -3.533 1.00 0.00 H new ATOM 0 HA TRP A 103 6.571 0.624 -5.677 1.00 0.00 H new ATOM 0 HB2 TRP A 103 4.267 1.766 -4.092 1.00 0.00 H new ATOM 0 HB3 TRP A 103 5.208 2.625 -5.295 1.00 0.00 H new ATOM 0 HD1 TRP A 103 4.938 -0.298 -7.226 1.00 0.00 H new ATOM 0 HE1 TRP A 103 2.752 -0.452 -8.607 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.284 3.209 -4.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 0.249 0.866 -8.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 0.004 3.753 -5.472 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -0.996 2.594 -7.396 1.00 0.00 H new ATOM 1552 N LYS A 104 7.569 2.349 -4.090 1.00 0.00 N ATOM 1553 CA LYS A 104 8.395 3.119 -3.231 1.00 0.00 C ATOM 1554 C LYS A 104 7.674 4.406 -2.907 1.00 0.00 C ATOM 1555 O LYS A 104 7.330 5.175 -3.816 1.00 0.00 O ATOM 1556 CB LYS A 104 9.732 3.442 -3.925 1.00 0.00 C ATOM 1557 CG LYS A 104 10.618 4.443 -3.169 1.00 0.00 C ATOM 1558 CD LYS A 104 11.180 3.887 -1.871 1.00 0.00 C ATOM 1559 CE LYS A 104 11.880 4.988 -1.084 1.00 0.00 C ATOM 1560 NZ LYS A 104 12.654 4.459 0.055 1.00 0.00 N ATOM 0 H LYS A 104 7.592 2.658 -5.062 1.00 0.00 H new ATOM 0 HA LYS A 104 8.603 2.557 -2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.289 2.515 -4.062 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.524 3.839 -4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.443 4.747 -3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.037 5.339 -2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.376 3.458 -1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.882 3.082 -2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 104 12.546 5.539 -1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.138 5.697 -0.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.554 5.098 0.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 12.297 3.516 0.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 13.657 4.389 -0.210 1.00 0.00 H new ATOM 1574 N ALA A 105 7.390 4.599 -1.650 1.00 0.00 N ATOM 1575 CA ALA A 105 6.853 5.855 -1.184 1.00 0.00 C ATOM 1576 C ALA A 105 7.974 6.871 -1.263 1.00 0.00 C ATOM 1577 O ALA A 105 8.942 6.807 -0.495 1.00 0.00 O ATOM 1578 CB ALA A 105 6.328 5.725 0.242 1.00 0.00 C ATOM 0 H ALA A 105 7.521 3.898 -0.921 1.00 0.00 H new ATOM 0 HA ALA A 105 6.009 6.168 -1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.928 6.684 0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.539 4.973 0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.141 5.424 0.903 1.00 0.00 H new ATOM 1584 N LEU A 106 7.894 7.733 -2.229 1.00 0.00 N ATOM 1585 CA LEU A 106 8.927 8.673 -2.480 1.00 0.00 C ATOM 1586 C LEU A 106 8.727 9.899 -1.611 1.00 0.00 C ATOM 1587 O LEU A 106 7.896 10.774 -1.894 1.00 0.00 O ATOM 1588 CB LEU A 106 8.989 8.971 -4.000 1.00 0.00 C ATOM 1589 CG LEU A 106 10.170 9.806 -4.550 1.00 0.00 C ATOM 1590 CD1 LEU A 106 10.310 9.546 -6.038 1.00 0.00 C ATOM 1591 CD2 LEU A 106 9.943 11.298 -4.339 1.00 0.00 C ATOM 0 H LEU A 106 7.101 7.800 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 106 9.902 8.270 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.989 8.015 -4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.067 9.484 -4.273 1.00 0.00 H new ATOM 0 HG LEU A 106 11.072 9.511 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.140 10.131 -6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.501 8.486 -6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.389 9.834 -6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.791 11.855 -4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.033 11.604 -4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.842 11.503 -3.273 1.00 0.00 H new ATOM 1603 N SER A 107 9.414 9.888 -0.499 1.00 0.00 N ATOM 1604 CA SER A 107 9.423 10.980 0.405 1.00 0.00 C ATOM 1605 C SER A 107 10.126 12.168 -0.226 1.00 0.00 C ATOM 1606 O SER A 107 11.305 12.081 -0.607 1.00 0.00 O ATOM 1607 CB SER A 107 10.105 10.559 1.701 1.00 0.00 C ATOM 1608 OG SER A 107 9.409 9.459 2.279 1.00 0.00 O ATOM 0 H SER A 107 9.989 9.100 -0.202 1.00 0.00 H new ATOM 0 HA SER A 107 8.400 11.278 0.634 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.141 10.282 1.504 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.126 11.395 2.400 1.00 0.00 H new ATOM 0 HG SER A 107 8.503 9.739 2.528 1.00 0.00 H new ATOM 1614 N VAL A 108 9.381 13.241 -0.393 1.00 0.00 N ATOM 1615 CA VAL A 108 9.900 14.460 -0.957 1.00 0.00 C ATOM 1616 C VAL A 108 11.044 15.029 -0.110 1.00 0.00 C ATOM 1617 O VAL A 108 10.933 15.168 1.120 1.00 0.00 O ATOM 1618 CB VAL A 108 8.783 15.519 -1.191 1.00 0.00 C ATOM 1619 CG1 VAL A 108 7.863 15.064 -2.315 1.00 0.00 C ATOM 1620 CG2 VAL A 108 7.962 15.736 0.079 1.00 0.00 C ATOM 0 H VAL A 108 8.394 13.288 -0.139 1.00 0.00 H new ATOM 0 HA VAL A 108 10.309 14.208 -1.935 1.00 0.00 H new ATOM 0 HB VAL A 108 9.260 16.460 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 108 7.084 15.810 -2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 108 8.441 14.943 -3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 108 7.404 14.112 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.188 16.480 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.497 14.796 0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 108 8.615 16.087 0.879 1.00 0.00 H new ATOM 1630 N GLY A 109 12.131 15.284 -0.769 1.00 0.00 N ATOM 1631 CA GLY A 109 13.320 15.791 -0.160 1.00 0.00 C ATOM 1632 C GLY A 109 14.421 15.730 -1.172 1.00 0.00 C ATOM 1633 O GLY A 109 14.468 14.769 -1.970 1.00 0.00 O ATOM 0 H GLY A 109 12.218 15.141 -1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 109 13.168 16.817 0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 109 13.578 15.202 0.720 1.00 0.00 H new ATOM 1637 N GLU A 110 15.278 16.715 -1.188 1.00 0.00 N ATOM 1638 CA GLU A 110 16.327 16.775 -2.172 1.00 0.00 C ATOM 1639 C GLU A 110 17.491 15.883 -1.836 1.00 0.00 C ATOM 1640 O GLU A 110 18.427 16.263 -1.138 1.00 0.00 O ATOM 1641 CB GLU A 110 16.773 18.203 -2.460 1.00 0.00 C ATOM 1642 CG GLU A 110 15.714 19.026 -3.164 1.00 0.00 C ATOM 1643 CD GLU A 110 15.333 18.446 -4.501 1.00 0.00 C ATOM 1644 OE1 GLU A 110 16.013 18.737 -5.499 1.00 0.00 O ATOM 1645 OE2 GLU A 110 14.342 17.683 -4.584 1.00 0.00 O ATOM 0 H GLU A 110 15.271 17.492 -0.527 1.00 0.00 H new ATOM 0 HA GLU A 110 15.893 16.386 -3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 110 17.039 18.690 -1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 110 17.674 18.179 -3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.828 19.090 -2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 110 16.081 20.043 -3.303 1.00 0.00 H new ATOM 1652 N THR A 111 17.394 14.690 -2.299 1.00 0.00 N ATOM 1653 CA THR A 111 18.413 13.721 -2.165 1.00 0.00 C ATOM 1654 C THR A 111 18.417 12.920 -3.450 1.00 0.00 C ATOM 1655 O THR A 111 17.385 12.857 -4.144 1.00 0.00 O ATOM 1656 CB THR A 111 18.172 12.805 -0.914 1.00 0.00 C ATOM 1657 OG1 THR A 111 19.239 11.850 -0.767 1.00 0.00 O ATOM 1658 CG2 THR A 111 16.834 12.070 -1.001 1.00 0.00 C ATOM 0 H THR A 111 16.572 14.352 -2.799 1.00 0.00 H new ATOM 0 HA THR A 111 19.381 14.195 -2.003 1.00 0.00 H new ATOM 0 HB THR A 111 18.149 13.456 -0.040 1.00 0.00 H new ATOM 0 HG1 THR A 111 19.071 11.290 0.019 1.00 0.00 H new ATOM 0 HG21 THR A 111 16.703 11.446 -0.117 1.00 0.00 H new ATOM 0 HG22 THR A 111 16.023 12.796 -1.056 1.00 0.00 H new ATOM 0 HG23 THR A 111 16.821 11.443 -1.893 1.00 0.00 H new ATOM 1666 N LEU A 112 19.539 12.372 -3.809 1.00 0.00 N ATOM 1667 CA LEU A 112 19.629 11.588 -5.004 1.00 0.00 C ATOM 1668 C LEU A 112 20.106 10.194 -4.641 1.00 0.00 C ATOM 1669 O LEU A 112 21.304 9.966 -4.470 1.00 0.00 O ATOM 1670 CB LEU A 112 20.563 12.278 -6.047 1.00 0.00 C ATOM 1671 CG LEU A 112 20.596 11.716 -7.507 1.00 0.00 C ATOM 1672 CD1 LEU A 112 21.329 10.381 -7.629 1.00 0.00 C ATOM 1673 CD2 LEU A 112 19.185 11.597 -8.061 1.00 0.00 C ATOM 0 H LEU A 112 20.411 12.454 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 112 18.648 11.506 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 112 20.278 13.329 -6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 112 21.580 12.243 -5.655 1.00 0.00 H new ATOM 0 HG LEU A 112 21.164 12.434 -8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 112 21.313 10.051 -8.668 1.00 0.00 H new ATOM 0 HD12 LEU A 112 22.362 10.502 -7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 112 20.836 9.637 -7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 112 19.225 11.205 -9.077 1.00 0.00 H new ATOM 0 HD22 LEU A 112 18.604 10.921 -7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 112 18.713 12.580 -8.070 1.00 0.00 H new ATOM 1685 N PRO A 113 19.184 9.267 -4.419 1.00 0.00 N ATOM 1686 CA PRO A 113 19.532 7.901 -4.175 1.00 0.00 C ATOM 1687 C PRO A 113 19.756 7.184 -5.494 1.00 0.00 C ATOM 1688 O PRO A 113 18.866 7.166 -6.370 1.00 0.00 O ATOM 1689 CB PRO A 113 18.308 7.312 -3.450 1.00 0.00 C ATOM 1690 CG PRO A 113 17.292 8.419 -3.385 1.00 0.00 C ATOM 1691 CD PRO A 113 17.732 9.469 -4.369 1.00 0.00 C ATOM 0 HA PRO A 113 20.447 7.798 -3.591 1.00 0.00 H new ATOM 0 HB2 PRO A 113 17.913 6.451 -3.989 1.00 0.00 H new ATOM 0 HB3 PRO A 113 18.575 6.968 -2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 113 16.298 8.047 -3.635 1.00 0.00 H new ATOM 0 HG3 PRO A 113 17.234 8.832 -2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 113 17.269 9.330 -5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 113 17.473 10.473 -4.034 1.00 0.00 H new ATOM 1699 N ALA A 114 20.930 6.631 -5.668 1.00 0.00 N ATOM 1700 CA ALA A 114 21.231 5.849 -6.849 1.00 0.00 C ATOM 1701 C ALA A 114 20.436 4.564 -6.767 1.00 0.00 C ATOM 1702 O ALA A 114 19.926 4.045 -7.767 1.00 0.00 O ATOM 1703 CB ALA A 114 22.717 5.552 -6.916 1.00 0.00 C ATOM 0 H ALA A 114 21.700 6.707 -5.004 1.00 0.00 H new ATOM 0 HA ALA A 114 20.962 6.400 -7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 114 22.931 4.964 -7.808 1.00 0.00 H new ATOM 0 HB2 ALA A 114 23.274 6.488 -6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 114 23.016 4.990 -6.031 1.00 0.00 H new ATOM 1709 N ARG A 115 20.291 4.106 -5.550 1.00 0.00 N ATOM 1710 CA ARG A 115 19.552 2.940 -5.211 1.00 0.00 C ATOM 1711 C ARG A 115 19.481 2.927 -3.701 1.00 0.00 C ATOM 1712 O ARG A 115 20.186 3.691 -3.044 1.00 0.00 O ATOM 1713 CB ARG A 115 20.274 1.662 -5.693 1.00 0.00 C ATOM 1714 CG ARG A 115 19.472 0.372 -5.531 1.00 0.00 C ATOM 1715 CD ARG A 115 20.309 -0.857 -5.800 1.00 0.00 C ATOM 1716 NE ARG A 115 20.785 -0.931 -7.177 1.00 0.00 N ATOM 1717 CZ ARG A 115 21.794 -1.706 -7.583 1.00 0.00 C ATOM 1718 NH1 ARG A 115 22.508 -2.397 -6.699 1.00 0.00 N ATOM 1719 NH2 ARG A 115 22.094 -1.770 -8.868 1.00 0.00 N ATOM 0 H ARG A 115 20.708 4.564 -4.739 1.00 0.00 H new ATOM 0 HA ARG A 115 18.568 2.956 -5.680 1.00 0.00 H new ATOM 0 HB2 ARG A 115 20.532 1.783 -6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 115 21.211 1.562 -5.144 1.00 0.00 H new ATOM 0 HG2 ARG A 115 19.069 0.321 -4.519 1.00 0.00 H new ATOM 0 HG3 ARG A 115 18.621 0.387 -6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 115 21.165 -0.862 -5.125 1.00 0.00 H new ATOM 0 HD3 ARG A 115 19.721 -1.747 -5.576 1.00 0.00 H new ATOM 0 HE ARG A 115 20.317 -0.353 -7.875 1.00 0.00 H new ATOM 0 HH11 ARG A 115 22.286 -2.337 -5.705 1.00 0.00 H new ATOM 0 HH12 ARG A 115 23.278 -2.987 -7.015 1.00 0.00 H new ATOM 0 HH21 ARG A 115 21.556 -1.229 -9.545 1.00 0.00 H new ATOM 0 HH22 ARG A 115 22.864 -2.360 -9.183 1.00 0.00 H new ATOM 1733 N GLU A 116 18.635 2.112 -3.184 1.00 0.00 N ATOM 1734 CA GLU A 116 18.510 1.855 -1.766 1.00 0.00 C ATOM 1735 C GLU A 116 18.162 0.410 -1.729 1.00 0.00 C ATOM 1736 O GLU A 116 18.851 -0.430 -1.161 1.00 0.00 O ATOM 1737 CB GLU A 116 17.335 2.612 -1.145 1.00 0.00 C ATOM 1738 CG GLU A 116 17.282 4.099 -1.381 1.00 0.00 C ATOM 1739 CD GLU A 116 16.035 4.660 -0.785 1.00 0.00 C ATOM 1740 OE1 GLU A 116 14.943 4.280 -1.224 1.00 0.00 O ATOM 1741 OE2 GLU A 116 16.114 5.457 0.164 1.00 0.00 O ATOM 0 H GLU A 116 17.976 1.575 -3.748 1.00 0.00 H new ATOM 0 HA GLU A 116 19.410 2.149 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 116 16.411 2.175 -1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 116 17.351 2.440 -0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 116 18.155 4.578 -0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 116 17.311 4.308 -2.450 1.00 0.00 H new ATOM 1748 N PHE A 117 17.088 0.146 -2.430 1.00 0.00 N ATOM 1749 CA PHE A 117 16.561 -1.132 -2.670 1.00 0.00 C ATOM 1750 C PHE A 117 16.294 -1.110 -4.136 1.00 0.00 C ATOM 1751 O PHE A 117 16.317 -0.026 -4.743 1.00 0.00 O ATOM 1752 CB PHE A 117 15.242 -1.331 -1.900 1.00 0.00 C ATOM 1753 CG PHE A 117 15.352 -0.923 -0.472 1.00 0.00 C ATOM 1754 CD1 PHE A 117 16.053 -1.696 0.428 1.00 0.00 C ATOM 1755 CD2 PHE A 117 14.805 0.275 -0.043 1.00 0.00 C ATOM 1756 CE1 PHE A 117 16.199 -1.279 1.732 1.00 0.00 C ATOM 1757 CE2 PHE A 117 14.956 0.694 1.253 1.00 0.00 C ATOM 1758 CZ PHE A 117 15.658 -0.084 2.142 1.00 0.00 C ATOM 0 H PHE A 117 16.537 0.884 -2.869 1.00 0.00 H new ATOM 0 HA PHE A 117 17.227 -1.935 -2.355 1.00 0.00 H new ATOM 0 HB2 PHE A 117 14.453 -0.753 -2.381 1.00 0.00 H new ATOM 0 HB3 PHE A 117 14.947 -2.379 -1.954 1.00 0.00 H new ATOM 0 HD1 PHE A 117 16.489 -2.631 0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 117 14.252 0.887 -0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 117 16.741 -1.894 2.436 1.00 0.00 H new ATOM 0 HE2 PHE A 117 14.525 1.631 1.574 1.00 0.00 H new ATOM 0 HZ PHE A 117 15.785 0.244 3.163 1.00 0.00 H new ATOM 1768 N GLN A 118 16.066 -2.212 -4.700 1.00 0.00 N ATOM 1769 CA GLN A 118 15.849 -2.292 -6.119 1.00 0.00 C ATOM 1770 C GLN A 118 14.687 -3.206 -6.400 1.00 0.00 C ATOM 1771 O GLN A 118 14.175 -3.841 -5.472 1.00 0.00 O ATOM 1772 CB GLN A 118 17.127 -2.782 -6.819 1.00 0.00 C ATOM 1773 CG GLN A 118 17.629 -4.124 -6.312 1.00 0.00 C ATOM 1774 CD GLN A 118 18.909 -4.597 -6.979 1.00 0.00 C ATOM 1775 OE1 GLN A 118 19.100 -4.264 -8.232 1.00 0.00 O flip ATOM 1776 NE2 GLN A 118 19.713 -5.283 -6.363 1.00 0.00 N flip ATOM 0 H GLN A 118 16.019 -3.106 -4.212 1.00 0.00 H new ATOM 0 HA GLN A 118 15.610 -1.303 -6.511 1.00 0.00 H new ATOM 0 HB2 GLN A 118 16.938 -2.857 -7.890 1.00 0.00 H new ATOM 0 HB3 GLN A 118 17.912 -2.037 -6.685 1.00 0.00 H new ATOM 0 HG2 GLN A 118 17.796 -4.055 -5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 118 16.852 -4.873 -6.467 1.00 0.00 H new ATOM 0 HE21 GLN A 118 19.535 -5.525 -5.388 1.00 0.00 H new ATOM 0 HE22 GLN A 118 20.561 -5.613 -6.824 1.00 0.00 H new ATOM 1785 N HIS A 119 14.279 -3.252 -7.654 1.00 0.00 N ATOM 1786 CA HIS A 119 13.195 -4.095 -8.168 1.00 0.00 C ATOM 1787 C HIS A 119 11.818 -3.646 -7.668 1.00 0.00 C ATOM 1788 O HIS A 119 10.931 -4.475 -7.405 1.00 0.00 O ATOM 1789 CB HIS A 119 13.422 -5.605 -7.902 1.00 0.00 C ATOM 1790 CG HIS A 119 14.718 -6.158 -8.431 1.00 0.00 C ATOM 1791 ND1 HIS A 119 15.772 -6.666 -7.762 1.00 0.00 N flip ATOM 1792 CD2 HIS A 119 15.058 -6.210 -9.759 1.00 0.00 C flip ATOM 1793 CE1 HIS A 119 16.763 -7.028 -8.665 1.00 0.00 C flip ATOM 1794 NE2 HIS A 119 16.278 -6.732 -9.854 1.00 0.00 N flip ATOM 0 H HIS A 119 14.708 -2.680 -8.382 1.00 0.00 H new ATOM 0 HA HIS A 119 13.211 -3.960 -9.249 1.00 0.00 H new ATOM 0 HB2 HIS A 119 13.383 -5.779 -6.827 1.00 0.00 H new ATOM 0 HB3 HIS A 119 12.598 -6.164 -8.346 1.00 0.00 H new ATOM 0 HD2 HIS A 119 14.442 -5.884 -10.584 1.00 0.00 H new ATOM 0 HE1 HIS A 119 17.727 -7.460 -8.440 1.00 0.00 H new ATOM 0 HE2 HIS A 119 16.773 -6.883 -10.733 1.00 0.00 H new ATOM 1802 N VAL A 120 11.628 -2.342 -7.545 1.00 0.00 N ATOM 1803 CA VAL A 120 10.307 -1.811 -7.226 1.00 0.00 C ATOM 1804 C VAL A 120 9.550 -1.681 -8.511 1.00 0.00 C ATOM 1805 O VAL A 120 10.158 -1.539 -9.583 1.00 0.00 O ATOM 1806 CB VAL A 120 10.320 -0.451 -6.455 1.00 0.00 C ATOM 1807 CG1 VAL A 120 11.061 -0.583 -5.134 1.00 0.00 C ATOM 1808 CG2 VAL A 120 10.897 0.687 -7.291 1.00 0.00 C ATOM 0 H VAL A 120 12.358 -1.639 -7.659 1.00 0.00 H new ATOM 0 HA VAL A 120 9.827 -2.508 -6.539 1.00 0.00 H new ATOM 0 HB VAL A 120 9.281 -0.196 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.056 0.376 -4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.569 -1.332 -4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.090 -0.888 -5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.883 1.609 -6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 120 11.923 0.449 -7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 120 10.297 0.817 -8.192 1.00 0.00 H new ATOM 1818 N ASP A 121 8.267 -1.761 -8.440 1.00 0.00 N ATOM 1819 CA ASP A 121 7.466 -1.742 -9.658 1.00 0.00 C ATOM 1820 C ASP A 121 7.210 -0.333 -10.136 1.00 0.00 C ATOM 1821 O ASP A 121 7.422 -0.005 -11.313 1.00 0.00 O ATOM 1822 CB ASP A 121 6.147 -2.491 -9.463 1.00 0.00 C ATOM 1823 CG ASP A 121 6.344 -3.974 -9.243 1.00 0.00 C ATOM 1824 OD1 ASP A 121 6.498 -4.411 -8.072 1.00 0.00 O ATOM 1825 OD2 ASP A 121 6.349 -4.731 -10.236 1.00 0.00 O ATOM 0 H ASP A 121 7.736 -1.840 -7.573 1.00 0.00 H new ATOM 0 HA ASP A 121 8.041 -2.255 -10.429 1.00 0.00 H new ATOM 0 HB2 ASP A 121 5.617 -2.069 -8.609 1.00 0.00 H new ATOM 0 HB3 ASP A 121 5.515 -2.339 -10.338 1.00 0.00 H new ATOM 1830 N LYS A 122 6.812 0.501 -9.218 1.00 0.00 N ATOM 1831 CA LYS A 122 6.422 1.892 -9.487 1.00 0.00 C ATOM 1832 C LYS A 122 6.712 2.715 -8.258 1.00 0.00 C ATOM 1833 O LYS A 122 6.986 2.158 -7.194 1.00 0.00 O ATOM 1834 CB LYS A 122 4.908 2.031 -9.851 1.00 0.00 C ATOM 1835 CG LYS A 122 4.487 1.459 -11.207 1.00 0.00 C ATOM 1836 CD LYS A 122 2.986 1.612 -11.417 1.00 0.00 C ATOM 1837 CE LYS A 122 2.540 1.131 -12.795 1.00 0.00 C ATOM 1838 NZ LYS A 122 3.045 1.988 -13.893 1.00 0.00 N ATOM 0 H LYS A 122 6.741 0.245 -8.233 1.00 0.00 H new ATOM 0 HA LYS A 122 6.995 2.242 -10.346 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.322 1.540 -9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.645 3.089 -9.828 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.024 1.971 -12.005 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.761 0.405 -11.263 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.455 1.049 -10.649 1.00 0.00 H new ATOM 0 HD3 LYS A 122 2.709 2.659 -11.293 1.00 0.00 H new ATOM 0 HE2 LYS A 122 2.888 0.109 -12.948 1.00 0.00 H new ATOM 0 HE3 LYS A 122 1.451 1.106 -12.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 2.618 1.688 -14.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 2.793 2.979 -13.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.079 1.899 -13.955 1.00 0.00 H new ATOM 1852 N TYR A 123 6.741 4.006 -8.395 1.00 0.00 N ATOM 1853 CA TYR A 123 6.900 4.847 -7.242 1.00 0.00 C ATOM 1854 C TYR A 123 5.603 5.603 -6.989 1.00 0.00 C ATOM 1855 O TYR A 123 4.725 5.682 -7.878 1.00 0.00 O ATOM 1856 CB TYR A 123 8.106 5.800 -7.361 1.00 0.00 C ATOM 1857 CG TYR A 123 7.946 6.872 -8.379 1.00 0.00 C ATOM 1858 CD1 TYR A 123 8.231 6.639 -9.703 1.00 0.00 C ATOM 1859 CD2 TYR A 123 7.492 8.123 -8.010 1.00 0.00 C ATOM 1860 CE1 TYR A 123 8.070 7.620 -10.636 1.00 0.00 C ATOM 1861 CE2 TYR A 123 7.328 9.109 -8.930 1.00 0.00 C ATOM 1862 CZ TYR A 123 7.617 8.860 -10.250 1.00 0.00 C ATOM 1863 OH TYR A 123 7.454 9.853 -11.185 1.00 0.00 O ATOM 0 H TYR A 123 6.658 4.499 -9.284 1.00 0.00 H new ATOM 0 HA TYR A 123 7.117 4.211 -6.384 1.00 0.00 H new ATOM 0 HB2 TYR A 123 8.285 6.262 -6.390 1.00 0.00 H new ATOM 0 HB3 TYR A 123 8.993 5.215 -7.604 1.00 0.00 H new ATOM 0 HD1 TYR A 123 8.587 5.666 -10.008 1.00 0.00 H new ATOM 0 HD2 TYR A 123 7.264 8.321 -6.973 1.00 0.00 H new ATOM 0 HE1 TYR A 123 8.297 7.424 -11.674 1.00 0.00 H new ATOM 0 HE2 TYR A 123 6.973 10.082 -8.626 1.00 0.00 H new ATOM 0 HH TYR A 123 7.126 10.665 -10.746 1.00 0.00 H new ATOM 1873 N VAL A 124 5.465 6.117 -5.816 1.00 0.00 N ATOM 1874 CA VAL A 124 4.306 6.868 -5.427 1.00 0.00 C ATOM 1875 C VAL A 124 4.800 8.017 -4.566 1.00 0.00 C ATOM 1876 O VAL A 124 5.991 8.074 -4.261 1.00 0.00 O ATOM 1877 CB VAL A 124 3.287 5.945 -4.673 1.00 0.00 C ATOM 1878 CG1 VAL A 124 3.862 5.396 -3.390 1.00 0.00 C ATOM 1879 CG2 VAL A 124 1.918 6.595 -4.440 1.00 0.00 C ATOM 0 H VAL A 124 6.165 6.029 -5.080 1.00 0.00 H new ATOM 0 HA VAL A 124 3.769 7.263 -6.290 1.00 0.00 H new ATOM 0 HB VAL A 124 3.109 5.107 -5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.122 4.762 -2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.752 4.808 -3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.128 6.220 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.268 5.896 -3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.041 7.497 -3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 124 1.470 6.854 -5.399 1.00 0.00 H new ATOM 1889 N LEU A 125 3.933 8.906 -4.190 1.00 0.00 N ATOM 1890 CA LEU A 125 4.311 10.071 -3.423 1.00 0.00 C ATOM 1891 C LEU A 125 4.553 9.673 -1.944 1.00 0.00 C ATOM 1892 O LEU A 125 4.508 8.487 -1.590 1.00 0.00 O ATOM 1893 CB LEU A 125 3.213 11.160 -3.573 1.00 0.00 C ATOM 1894 CG LEU A 125 3.517 12.569 -3.022 1.00 0.00 C ATOM 1895 CD1 LEU A 125 4.761 13.155 -3.675 1.00 0.00 C ATOM 1896 CD2 LEU A 125 2.334 13.488 -3.247 1.00 0.00 C ATOM 0 H LEU A 125 2.937 8.851 -4.403 1.00 0.00 H new ATOM 0 HA LEU A 125 5.246 10.487 -3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 125 2.981 11.258 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 125 2.311 10.796 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 125 3.701 12.479 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 125 4.952 14.148 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 125 5.616 12.510 -3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 125 4.607 13.227 -4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.563 14.478 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.128 13.561 -4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 125 1.459 13.087 -2.735 1.00 0.00 H new ATOM 1908 N ASP A 126 4.866 10.638 -1.118 1.00 0.00 N ATOM 1909 CA ASP A 126 5.103 10.401 0.285 1.00 0.00 C ATOM 1910 C ASP A 126 3.824 10.034 1.011 1.00 0.00 C ATOM 1911 O ASP A 126 2.980 10.889 1.293 1.00 0.00 O ATOM 1912 CB ASP A 126 5.732 11.621 0.950 1.00 0.00 C ATOM 1913 CG ASP A 126 6.012 11.389 2.420 1.00 0.00 C ATOM 1914 OD1 ASP A 126 7.046 10.762 2.755 1.00 0.00 O ATOM 1915 OD2 ASP A 126 5.211 11.837 3.268 1.00 0.00 O ATOM 0 H ASP A 126 4.964 11.614 -1.399 1.00 0.00 H new ATOM 0 HA ASP A 126 5.795 9.562 0.352 1.00 0.00 H new ATOM 0 HB2 ASP A 126 6.662 11.872 0.440 1.00 0.00 H new ATOM 0 HB3 ASP A 126 5.066 12.477 0.839 1.00 0.00 H new ATOM 1920 N ASN A 127 3.652 8.773 1.230 1.00 0.00 N ATOM 1921 CA ASN A 127 2.551 8.264 2.013 1.00 0.00 C ATOM 1922 C ASN A 127 3.119 7.666 3.267 1.00 0.00 C ATOM 1923 O ASN A 127 4.291 7.269 3.282 1.00 0.00 O ATOM 1924 CB ASN A 127 1.739 7.200 1.244 1.00 0.00 C ATOM 1925 CG ASN A 127 0.971 7.757 0.056 1.00 0.00 C ATOM 1926 OD1 ASN A 127 1.470 7.811 -1.058 1.00 0.00 O ATOM 1927 ND2 ASN A 127 -0.254 8.168 0.284 1.00 0.00 N ATOM 0 H ASN A 127 4.274 8.049 0.870 1.00 0.00 H new ATOM 0 HA ASN A 127 1.867 9.082 2.241 1.00 0.00 H new ATOM 0 HB2 ASN A 127 2.417 6.421 0.894 1.00 0.00 H new ATOM 0 HB3 ASN A 127 1.036 6.726 1.930 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -0.816 8.545 -0.479 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -0.644 8.111 1.225 1.00 0.00 H new ATOM 1934 N GLY A 128 2.336 7.610 4.305 1.00 0.00 N ATOM 1935 CA GLY A 128 2.807 7.075 5.549 1.00 0.00 C ATOM 1936 C GLY A 128 1.669 6.544 6.357 1.00 0.00 C ATOM 1937 O GLY A 128 0.529 6.653 5.947 1.00 0.00 O ATOM 0 H GLY A 128 1.367 7.929 4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 128 3.528 6.280 5.359 1.00 0.00 H new ATOM 0 HA3 GLY A 128 3.328 7.850 6.110 1.00 0.00 H new ATOM 1941 N GLN A 129 1.963 6.010 7.511 1.00 0.00 N ATOM 1942 CA GLN A 129 0.954 5.404 8.360 1.00 0.00 C ATOM 1943 C GLN A 129 0.474 6.398 9.416 1.00 0.00 C ATOM 1944 O GLN A 129 -0.111 6.003 10.444 1.00 0.00 O ATOM 1945 CB GLN A 129 1.530 4.166 9.050 1.00 0.00 C ATOM 1946 CG GLN A 129 2.063 3.097 8.101 1.00 0.00 C ATOM 1947 CD GLN A 129 2.569 1.862 8.833 1.00 0.00 C ATOM 1948 OE1 GLN A 129 2.533 0.751 8.312 1.00 0.00 O ATOM 1949 NE2 GLN A 129 3.039 2.045 10.038 1.00 0.00 N ATOM 0 H GLN A 129 2.907 5.979 7.896 1.00 0.00 H new ATOM 0 HA GLN A 129 0.108 5.115 7.737 1.00 0.00 H new ATOM 0 HB2 GLN A 129 2.337 4.479 9.713 1.00 0.00 H new ATOM 0 HB3 GLN A 129 0.756 3.723 9.677 1.00 0.00 H new ATOM 0 HG2 GLN A 129 1.274 2.806 7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 129 2.872 3.518 7.504 1.00 0.00 H new ATOM 0 HE21 GLN A 129 3.055 2.981 10.442 1.00 0.00 H new ATOM 0 HE22 GLN A 129 3.390 1.252 10.574 1.00 0.00 H new ATOM 1958 N GLY A 130 0.677 7.679 9.152 1.00 0.00 N ATOM 1959 CA GLY A 130 0.326 8.714 10.100 1.00 0.00 C ATOM 1960 C GLY A 130 -1.165 8.997 10.141 1.00 0.00 C ATOM 1961 O GLY A 130 -1.639 9.988 9.566 1.00 0.00 O ATOM 0 H GLY A 130 1.085 8.024 8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 130 0.662 8.418 11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 130 0.858 9.630 9.843 1.00 0.00 H new ATOM 1965 N GLY A 131 -1.904 8.133 10.793 1.00 0.00 N ATOM 1966 CA GLY A 131 -3.324 8.321 10.917 1.00 0.00 C ATOM 1967 C GLY A 131 -3.869 7.672 12.161 1.00 0.00 C ATOM 1968 O GLY A 131 -4.998 7.180 12.167 1.00 0.00 O ATOM 0 H GLY A 131 -1.543 7.293 11.245 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -3.549 9.387 10.935 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -3.823 7.905 10.042 1.00 0.00 H new ATOM 1972 N ALA A 132 -3.077 7.668 13.210 1.00 0.00 N ATOM 1973 CA ALA A 132 -3.464 7.058 14.468 1.00 0.00 C ATOM 1974 C ALA A 132 -2.782 7.773 15.622 1.00 0.00 C ATOM 1975 O ALA A 132 -1.974 8.691 15.407 1.00 0.00 O ATOM 1976 CB ALA A 132 -3.113 5.577 14.473 1.00 0.00 C ATOM 0 H ALA A 132 -2.147 8.086 13.218 1.00 0.00 H new ATOM 0 HA ALA A 132 -4.543 7.151 14.587 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -3.410 5.136 15.424 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -3.639 5.076 13.660 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -2.038 5.457 14.338 1.00 0.00 H new ATOM 1982 N GLY A 133 -3.099 7.374 16.829 1.00 0.00 N ATOM 1983 CA GLY A 133 -2.515 7.981 18.001 1.00 0.00 C ATOM 1984 C GLY A 133 -3.264 9.225 18.393 1.00 0.00 C ATOM 1985 O GLY A 133 -4.069 9.214 19.333 1.00 0.00 O ATOM 0 H GLY A 133 -3.763 6.626 17.027 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.526 7.270 18.827 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -1.471 8.227 17.806 1.00 0.00 H new ATOM 1989 N SER A 134 -3.034 10.267 17.662 1.00 0.00 N ATOM 1990 CA SER A 134 -3.692 11.513 17.868 1.00 0.00 C ATOM 1991 C SER A 134 -4.467 11.846 16.614 1.00 0.00 C ATOM 1992 O SER A 134 -5.702 11.682 16.600 1.00 0.00 O ATOM 1993 CB SER A 134 -2.687 12.615 18.194 1.00 0.00 C ATOM 1994 OG SER A 134 -1.988 12.351 19.420 1.00 0.00 O ATOM 0 H SER A 134 -2.369 10.274 16.889 1.00 0.00 H new ATOM 0 HA SER A 134 -4.371 11.438 18.718 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.970 12.706 17.378 1.00 0.00 H new ATOM 0 HB3 SER A 134 -3.206 13.570 18.270 1.00 0.00 H new ATOM 0 HG SER A 134 -1.352 13.075 19.597 1.00 0.00 H new TER 2000 SER A 134