USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 683 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 59 SER OG : rot 91:sc= 1.4 USER MOD Set 1.2: A 74 CYS SG : rot -33:sc= 1.11 USER MOD Set 2.1: A 53 LYS NZ :NH3+ 168:sc=0.000272 (180deg=0) USER MOD Set 2.2: A 56 SER OG : rot -36:sc= -0.856 USER MOD Set 3.1: A 27 SER OG : rot 180:sc= 0.472 USER MOD Set 3.2: A 65 GLN : amide:sc= 0.297 K(o=0.77,f=-0.9!) USER MOD Set 4.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 39 ASN : amide:sc= -0.707 X(o=-0.71,f=-1) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0876 (180deg=0) USER MOD Single : A 2 HIS : no HE2:sc= -0.7 X(o=-0.7,f=-0.74) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 145:sc= -0.192 (180deg=-2.94!) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 70:sc= 1.16 USER MOD Single : A 9 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0448) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0465! C(o=-0.046!,f=-2.8!) USER MOD Single : A 21 GLN : amide:sc= -0.543 K(o=-0.54,f=-1.2) USER MOD Single : A 26 SER OG : rot -74:sc= 1.24 USER MOD Single : A 28 SER OG : rot 180:sc= 0.129 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= -0.703 USER MOD Single : A 36 GLN : amide:sc= 0.0448 K(o=0.045,f=-1.1) USER MOD Single : A 38 HIS : no HE2:sc= -2.34 K(o=-2.3,f=-7.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00178 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -168:sc= -0.129 (180deg=-0.391) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -156:sc= -0.949 (180deg=-1.99) USER MOD Single : A 71 ASN : amide:sc= -0.302 K(o=-0.3,f=-2.8!) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0589 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.08 F(o=-2.9,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.975 -9.883 7.757 1.00 0.00 N ATOM 2 CA GLY A 1 -18.032 -8.904 7.198 1.00 0.00 C ATOM 3 C GLY A 1 -18.555 -7.498 7.416 1.00 0.00 C ATOM 4 O GLY A 1 -19.291 -7.259 8.371 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.456 -10.573 8.337 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.676 -9.392 8.347 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.461 -10.379 6.982 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.056 -9.015 7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.893 -9.088 6.133 1.00 0.00 H new ATOM 8 N HIS A 2 -18.162 -6.556 6.554 1.00 0.00 N ATOM 9 CA HIS A 2 -18.766 -5.233 6.354 1.00 0.00 C ATOM 10 C HIS A 2 -17.960 -4.503 5.287 1.00 0.00 C ATOM 11 O HIS A 2 -18.487 -4.297 4.200 1.00 0.00 O ATOM 12 CB HIS A 2 -18.953 -4.377 7.629 1.00 0.00 C ATOM 13 CG HIS A 2 -17.774 -4.350 8.567 1.00 0.00 C ATOM 14 ND1 HIS A 2 -17.544 -5.260 9.579 1.00 0.00 N ATOM 15 CD2 HIS A 2 -16.725 -3.474 8.530 1.00 0.00 C ATOM 16 CE1 HIS A 2 -16.338 -4.986 10.101 1.00 0.00 C ATOM 17 NE2 HIS A 2 -15.820 -3.910 9.477 1.00 0.00 N ATOM 0 H HIS A 2 -17.363 -6.705 5.938 1.00 0.00 H new ATOM 0 HA HIS A 2 -19.793 -5.398 6.028 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -19.181 -3.354 7.329 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -19.820 -4.751 8.173 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -18.175 -6.004 9.876 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -16.624 -2.612 7.887 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -15.859 -5.540 10.895 1.00 0.00 H new ATOM 26 N SER A 3 -16.684 -4.220 5.570 1.00 0.00 N ATOM 27 CA SER A 3 -15.800 -3.334 4.816 1.00 0.00 C ATOM 28 C SER A 3 -16.363 -1.912 4.739 1.00 0.00 C ATOM 29 O SER A 3 -17.400 -1.673 4.127 1.00 0.00 O ATOM 30 CB SER A 3 -15.532 -3.879 3.414 1.00 0.00 C ATOM 31 OG SER A 3 -15.094 -5.227 3.408 1.00 0.00 O ATOM 0 H SER A 3 -16.216 -4.629 6.379 1.00 0.00 H new ATOM 0 HA SER A 3 -14.852 -3.293 5.353 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.443 -3.798 2.821 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.779 -3.258 2.929 1.00 0.00 H new ATOM 0 HG SER A 3 -14.942 -5.517 2.484 1.00 0.00 H new ATOM 37 N LYS A 4 -15.668 -0.942 5.340 1.00 0.00 N ATOM 38 CA LYS A 4 -16.044 0.475 5.274 1.00 0.00 C ATOM 39 C LYS A 4 -16.256 0.954 3.834 1.00 0.00 C ATOM 40 O LYS A 4 -17.027 1.890 3.623 1.00 0.00 O ATOM 41 CB LYS A 4 -14.997 1.340 6.003 1.00 0.00 C ATOM 42 CG LYS A 4 -13.616 1.299 5.319 1.00 0.00 C ATOM 43 CD LYS A 4 -12.477 1.998 6.072 1.00 0.00 C ATOM 44 CE LYS A 4 -12.365 3.508 5.800 1.00 0.00 C ATOM 45 NZ LYS A 4 -13.445 4.300 6.413 1.00 0.00 N ATOM 0 H LYS A 4 -14.826 -1.117 5.888 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.002 0.585 5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.348 2.371 6.044 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.899 0.995 7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.338 0.256 5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.707 1.753 4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.617 1.844 7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.534 1.522 5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.406 3.866 6.175 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.369 3.676 4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.069 5.219 6.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.202 4.452 5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.827 3.789 7.234 1.00 0.00 H new ATOM 59 N MET A 5 -15.579 0.354 2.854 1.00 0.00 N ATOM 60 CA MET A 5 -15.751 0.641 1.443 1.00 0.00 C ATOM 61 C MET A 5 -15.590 -0.706 0.740 1.00 0.00 C ATOM 62 O MET A 5 -14.469 -1.092 0.430 1.00 0.00 O ATOM 63 CB MET A 5 -14.739 1.734 1.016 1.00 0.00 C ATOM 64 CG MET A 5 -15.409 2.844 0.197 1.00 0.00 C ATOM 65 SD MET A 5 -16.180 4.142 1.188 1.00 0.00 S ATOM 66 CE MET A 5 -16.676 5.275 -0.138 1.00 0.00 C ATOM 0 H MET A 5 -14.878 -0.365 3.033 1.00 0.00 H new ATOM 0 HA MET A 5 -16.724 1.056 1.180 1.00 0.00 H new ATOM 0 HB2 MET A 5 -14.276 2.166 1.903 1.00 0.00 H new ATOM 0 HB3 MET A 5 -13.941 1.280 0.428 1.00 0.00 H new ATOM 0 HG2 MET A 5 -14.663 3.297 -0.456 1.00 0.00 H new ATOM 0 HG3 MET A 5 -16.167 2.397 -0.446 1.00 0.00 H new ATOM 0 HE1 MET A 5 -17.173 6.144 0.293 1.00 0.00 H new ATOM 0 HE2 MET A 5 -15.793 5.599 -0.689 1.00 0.00 H new ATOM 0 HE3 MET A 5 -17.360 4.765 -0.816 1.00 0.00 H new ATOM 76 N SER A 6 -16.676 -1.473 0.606 1.00 0.00 N ATOM 77 CA SER A 6 -16.617 -2.874 0.193 1.00 0.00 C ATOM 78 C SER A 6 -16.126 -3.051 -1.240 1.00 0.00 C ATOM 79 O SER A 6 -15.109 -3.699 -1.489 1.00 0.00 O ATOM 80 CB SER A 6 -17.968 -3.567 0.413 1.00 0.00 C ATOM 81 OG SER A 6 -19.080 -2.802 -0.037 1.00 0.00 O ATOM 0 H SER A 6 -17.623 -1.137 0.782 1.00 0.00 H new ATOM 0 HA SER A 6 -15.875 -3.358 0.829 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.964 -4.526 -0.105 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.089 -3.779 1.475 1.00 0.00 H new ATOM 0 HG SER A 6 -19.078 -2.767 -1.016 1.00 0.00 H new ATOM 87 N ASP A 7 -16.902 -2.497 -2.161 1.00 0.00 N ATOM 88 CA ASP A 7 -16.875 -2.695 -3.594 1.00 0.00 C ATOM 89 C ASP A 7 -17.190 -1.317 -4.142 1.00 0.00 C ATOM 90 O ASP A 7 -18.254 -0.749 -3.901 1.00 0.00 O ATOM 91 CB ASP A 7 -17.884 -3.759 -4.046 1.00 0.00 C ATOM 92 CG ASP A 7 -19.335 -3.450 -3.669 1.00 0.00 C ATOM 93 OD1 ASP A 7 -19.662 -3.471 -2.457 1.00 0.00 O ATOM 94 OD2 ASP A 7 -20.166 -3.285 -4.591 1.00 0.00 O ATOM 0 H ASP A 7 -17.632 -1.837 -1.893 1.00 0.00 H new ATOM 0 HA ASP A 7 -15.920 -3.076 -3.955 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -17.818 -3.870 -5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -17.604 -4.718 -3.610 1.00 0.00 H new ATOM 99 N VAL A 8 -16.181 -0.693 -4.734 1.00 0.00 N ATOM 100 CA VAL A 8 -16.080 0.753 -4.865 1.00 0.00 C ATOM 101 C VAL A 8 -15.578 1.080 -6.267 1.00 0.00 C ATOM 102 O VAL A 8 -15.290 2.241 -6.565 1.00 0.00 O ATOM 103 CB VAL A 8 -15.160 1.332 -3.762 1.00 0.00 C ATOM 104 CG1 VAL A 8 -15.536 2.791 -3.452 1.00 0.00 C ATOM 105 CG2 VAL A 8 -15.217 0.559 -2.435 1.00 0.00 C ATOM 0 H VAL A 8 -15.392 -1.190 -5.146 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.057 1.217 -4.731 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.152 1.250 -4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.878 3.179 -2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.428 3.394 -4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -16.569 2.835 -3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.546 1.025 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.236 0.576 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.910 -0.473 -2.602 1.00 0.00 H new ATOM 115 N LYS A 9 -15.449 0.056 -7.126 1.00 0.00 N ATOM 116 CA LYS A 9 -15.217 0.107 -8.569 1.00 0.00 C ATOM 117 C LYS A 9 -13.747 0.407 -8.846 1.00 0.00 C ATOM 118 O LYS A 9 -13.181 -0.078 -9.821 1.00 0.00 O ATOM 119 CB LYS A 9 -16.170 1.106 -9.243 1.00 0.00 C ATOM 120 CG LYS A 9 -17.635 0.869 -8.830 1.00 0.00 C ATOM 121 CD LYS A 9 -18.391 -0.037 -9.803 1.00 0.00 C ATOM 122 CE LYS A 9 -19.544 -0.738 -9.077 1.00 0.00 C ATOM 123 NZ LYS A 9 -20.498 0.197 -8.444 1.00 0.00 N ATOM 0 H LYS A 9 -15.510 -0.907 -6.796 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.438 -0.866 -9.008 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.878 2.122 -8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -16.079 1.020 -10.326 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.659 0.424 -7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -18.148 1.829 -8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -18.778 0.551 -10.635 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -17.712 -0.778 -10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -20.081 -1.367 -9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.134 -1.398 -8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -21.320 -0.333 -8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -20.032 0.685 -7.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -20.814 0.898 -9.145 1.00 0.00 H new ATOM 137 N CYS A 10 -13.114 1.172 -7.957 1.00 0.00 N ATOM 138 CA CYS A 10 -11.731 1.006 -7.593 1.00 0.00 C ATOM 139 C CYS A 10 -11.557 -0.267 -6.812 1.00 0.00 C ATOM 140 O CYS A 10 -11.562 -1.319 -7.442 1.00 0.00 O ATOM 141 CB CYS A 10 -11.210 2.273 -6.896 1.00 0.00 C ATOM 142 SG CYS A 10 -11.342 3.705 -8.001 1.00 0.00 S ATOM 0 H CYS A 10 -13.571 1.940 -7.465 1.00 0.00 H new ATOM 0 HA CYS A 10 -11.108 0.891 -8.480 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -11.781 2.455 -5.985 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.171 2.130 -6.598 1.00 0.00 H new ATOM 0 HG CYS A 10 -10.899 4.765 -7.393 1.00 0.00 H new ATOM 148 N THR A 11 -11.330 -0.197 -5.501 1.00 0.00 N ATOM 149 CA THR A 11 -10.822 -1.356 -4.798 1.00 0.00 C ATOM 150 C THR A 11 -9.498 -1.790 -5.482 1.00 0.00 C ATOM 151 O THR A 11 -8.506 -1.067 -5.328 1.00 0.00 O ATOM 152 CB THR A 11 -11.995 -2.355 -4.669 1.00 0.00 C ATOM 153 OG1 THR A 11 -13.064 -1.789 -3.922 1.00 0.00 O ATOM 154 CG2 THR A 11 -11.557 -3.667 -4.069 1.00 0.00 C ATOM 0 H THR A 11 -11.487 0.629 -4.924 1.00 0.00 H new ATOM 0 HA THR A 11 -10.508 -1.203 -3.766 1.00 0.00 H new ATOM 0 HB THR A 11 -12.352 -2.564 -5.678 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.795 -2.438 -3.854 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.413 -4.338 -3.997 1.00 0.00 H new ATOM 0 HG22 THR A 11 -10.793 -4.119 -4.702 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.148 -3.493 -3.074 1.00 0.00 H new ATOM 162 N SER A 12 -9.431 -2.866 -6.271 1.00 0.00 N ATOM 163 CA SER A 12 -8.217 -3.312 -6.951 1.00 0.00 C ATOM 164 C SER A 12 -8.091 -2.629 -8.323 1.00 0.00 C ATOM 165 O SER A 12 -8.038 -3.289 -9.363 1.00 0.00 O ATOM 166 CB SER A 12 -8.107 -4.854 -6.967 1.00 0.00 C ATOM 167 OG SER A 12 -9.315 -5.520 -6.640 1.00 0.00 O ATOM 0 H SER A 12 -10.237 -3.462 -6.457 1.00 0.00 H new ATOM 0 HA SER A 12 -7.342 -2.992 -6.386 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.783 -5.175 -7.957 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.333 -5.160 -6.264 1.00 0.00 H new ATOM 0 HG SER A 12 -9.173 -6.489 -6.671 1.00 0.00 H new ATOM 173 N VAL A 13 -8.005 -1.292 -8.319 1.00 0.00 N ATOM 174 CA VAL A 13 -7.474 -0.535 -9.453 1.00 0.00 C ATOM 175 C VAL A 13 -6.263 0.276 -8.986 1.00 0.00 C ATOM 176 O VAL A 13 -5.143 -0.173 -9.201 1.00 0.00 O ATOM 177 CB VAL A 13 -8.561 0.206 -10.268 1.00 0.00 C ATOM 178 CG1 VAL A 13 -9.759 -0.699 -10.569 1.00 0.00 C ATOM 179 CG2 VAL A 13 -9.062 1.521 -9.666 1.00 0.00 C ATOM 0 H VAL A 13 -8.300 -0.711 -7.534 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.096 -1.214 -10.217 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.043 0.474 -11.189 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.500 -0.143 -11.143 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.427 -1.562 -11.146 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.204 -1.037 -9.633 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.820 1.954 -10.318 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.494 1.330 -8.684 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.229 2.216 -9.566 1.00 0.00 H new ATOM 189 N VAL A 14 -6.453 1.383 -8.254 1.00 0.00 N ATOM 190 CA VAL A 14 -5.425 2.407 -8.053 1.00 0.00 C ATOM 191 C VAL A 14 -4.124 1.810 -7.521 1.00 0.00 C ATOM 192 O VAL A 14 -3.076 1.964 -8.135 1.00 0.00 O ATOM 193 CB VAL A 14 -5.950 3.650 -7.307 1.00 0.00 C ATOM 194 CG1 VAL A 14 -7.422 3.982 -7.597 1.00 0.00 C ATOM 195 CG2 VAL A 14 -5.736 3.513 -5.815 1.00 0.00 C ATOM 0 H VAL A 14 -7.333 1.592 -7.782 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.157 2.806 -9.031 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.365 4.486 -7.692 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.713 4.869 -7.034 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.549 4.171 -8.663 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.050 3.142 -7.300 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.114 4.402 -5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.268 2.634 -5.450 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.671 3.404 -5.609 1.00 0.00 H new ATOM 205 N LEU A 15 -4.189 1.049 -6.420 1.00 0.00 N ATOM 206 CA LEU A 15 -3.000 0.470 -5.815 1.00 0.00 C ATOM 207 C LEU A 15 -2.329 -0.463 -6.831 1.00 0.00 C ATOM 208 O LEU A 15 -1.109 -0.441 -7.001 1.00 0.00 O ATOM 209 CB LEU A 15 -3.351 -0.161 -4.443 1.00 0.00 C ATOM 210 CG LEU A 15 -2.118 -0.498 -3.610 1.00 0.00 C ATOM 211 CD1 LEU A 15 -2.391 -0.941 -2.183 1.00 0.00 C ATOM 212 CD2 LEU A 15 -1.271 -1.556 -4.266 1.00 0.00 C ATOM 0 H LEU A 15 -5.058 0.825 -5.936 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.254 1.229 -5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.984 0.528 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.933 -1.068 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.593 0.456 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.447 -1.155 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.913 -0.147 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.009 -1.839 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.403 -1.767 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.858 -2.466 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.938 -1.202 -5.242 1.00 0.00 H new ATOM 224 N LEU A 16 -3.132 -1.243 -7.550 1.00 0.00 N ATOM 225 CA LEU A 16 -2.662 -2.163 -8.572 1.00 0.00 C ATOM 226 C LEU A 16 -2.010 -1.451 -9.772 1.00 0.00 C ATOM 227 O LEU A 16 -1.295 -2.107 -10.524 1.00 0.00 O ATOM 228 CB LEU A 16 -3.809 -3.108 -8.997 1.00 0.00 C ATOM 229 CG LEU A 16 -3.577 -4.584 -8.621 1.00 0.00 C ATOM 230 CD1 LEU A 16 -3.478 -4.804 -7.100 1.00 0.00 C ATOM 231 CD2 LEU A 16 -4.706 -5.446 -9.187 1.00 0.00 C ATOM 0 H LEU A 16 -4.145 -1.251 -7.434 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.864 -2.764 -8.136 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.736 -2.768 -8.536 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.945 -3.036 -10.076 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.620 -4.876 -9.054 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.315 -5.862 -6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.645 -4.224 -6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.404 -4.481 -6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.537 -6.489 -8.918 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.659 -5.115 -8.774 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.728 -5.350 -10.273 1.00 0.00 H new ATOM 243 N SER A 17 -2.173 -0.134 -9.913 1.00 0.00 N ATOM 244 CA SER A 17 -1.514 0.710 -10.905 1.00 0.00 C ATOM 245 C SER A 17 -0.405 1.575 -10.272 1.00 0.00 C ATOM 246 O SER A 17 0.235 2.360 -10.971 1.00 0.00 O ATOM 247 CB SER A 17 -2.592 1.548 -11.606 1.00 0.00 C ATOM 248 OG SER A 17 -2.177 1.966 -12.895 1.00 0.00 O ATOM 0 H SER A 17 -2.799 0.396 -9.307 1.00 0.00 H new ATOM 0 HA SER A 17 -1.006 0.092 -11.645 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.509 0.964 -11.691 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.826 2.422 -10.998 1.00 0.00 H new ATOM 0 HG SER A 17 -2.888 2.495 -13.312 1.00 0.00 H new ATOM 254 N VAL A 18 -0.159 1.465 -8.961 1.00 0.00 N ATOM 255 CA VAL A 18 0.770 2.308 -8.206 1.00 0.00 C ATOM 256 C VAL A 18 1.924 1.468 -7.673 1.00 0.00 C ATOM 257 O VAL A 18 3.072 1.695 -8.049 1.00 0.00 O ATOM 258 CB VAL A 18 0.003 3.076 -7.105 1.00 0.00 C ATOM 259 CG1 VAL A 18 0.906 3.769 -6.066 1.00 0.00 C ATOM 260 CG2 VAL A 18 -0.847 4.170 -7.765 1.00 0.00 C ATOM 0 H VAL A 18 -0.617 0.763 -8.379 1.00 0.00 H new ATOM 0 HA VAL A 18 1.215 3.060 -8.858 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.590 2.328 -6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.287 4.284 -5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.521 3.023 -5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.550 4.491 -6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.393 4.719 -6.998 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.198 4.856 -8.310 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.554 3.713 -8.457 1.00 0.00 H new ATOM 270 N LEU A 19 1.658 0.530 -6.762 1.00 0.00 N ATOM 271 CA LEU A 19 2.722 -0.089 -5.980 1.00 0.00 C ATOM 272 C LEU A 19 3.224 -1.308 -6.730 1.00 0.00 C ATOM 273 O LEU A 19 4.346 -1.310 -7.238 1.00 0.00 O ATOM 274 CB LEU A 19 2.238 -0.391 -4.551 1.00 0.00 C ATOM 275 CG LEU A 19 3.302 -0.199 -3.459 1.00 0.00 C ATOM 276 CD1 LEU A 19 4.437 -1.218 -3.551 1.00 0.00 C ATOM 277 CD2 LEU A 19 3.874 1.217 -3.449 1.00 0.00 C ATOM 0 H LEU A 19 0.721 0.186 -6.551 1.00 0.00 H new ATOM 0 HA LEU A 19 3.565 0.591 -5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.387 0.252 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.879 -1.420 -4.513 1.00 0.00 H new ATOM 0 HG LEU A 19 2.779 -0.366 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.158 -1.033 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.032 -2.224 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.932 -1.125 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.621 1.302 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.338 1.429 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.072 1.932 -3.267 1.00 0.00 H new ATOM 289 N GLN A 20 2.357 -2.313 -6.878 1.00 0.00 N ATOM 290 CA GLN A 20 2.596 -3.489 -7.681 1.00 0.00 C ATOM 291 C GLN A 20 3.049 -3.153 -9.099 1.00 0.00 C ATOM 292 O GLN A 20 3.729 -3.987 -9.676 1.00 0.00 O ATOM 293 CB GLN A 20 1.324 -4.351 -7.646 1.00 0.00 C ATOM 294 CG GLN A 20 0.324 -4.210 -8.781 1.00 0.00 C ATOM 295 CD GLN A 20 0.379 -5.253 -9.909 1.00 0.00 C ATOM 296 OE1 GLN A 20 -0.635 -5.870 -10.207 1.00 0.00 O ATOM 297 NE2 GLN A 20 1.475 -5.397 -10.624 1.00 0.00 N ATOM 0 H GLN A 20 1.444 -2.319 -6.423 1.00 0.00 H new ATOM 0 HA GLN A 20 3.428 -4.055 -7.262 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.632 -5.396 -7.603 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.801 -4.134 -6.714 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.678 -4.232 -8.351 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.458 -3.225 -9.227 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.319 -4.882 -10.373 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.480 -6.024 -11.429 1.00 0.00 H new ATOM 306 N GLN A 21 2.702 -1.960 -9.614 1.00 0.00 N ATOM 307 CA GLN A 21 2.954 -1.430 -10.943 1.00 0.00 C ATOM 308 C GLN A 21 4.267 -1.974 -11.440 1.00 0.00 C ATOM 309 O GLN A 21 4.264 -2.652 -12.456 1.00 0.00 O ATOM 310 CB GLN A 21 2.958 0.108 -10.889 1.00 0.00 C ATOM 311 CG GLN A 21 3.144 0.788 -12.259 1.00 0.00 C ATOM 312 CD GLN A 21 4.542 1.343 -12.558 1.00 0.00 C ATOM 313 OE1 GLN A 21 5.355 1.629 -11.681 1.00 0.00 O ATOM 314 NE2 GLN A 21 4.853 1.539 -13.830 1.00 0.00 N ATOM 0 H GLN A 21 2.189 -1.287 -9.045 1.00 0.00 H new ATOM 0 HA GLN A 21 2.170 -1.736 -11.636 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.019 0.447 -10.452 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.756 0.435 -10.222 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.889 0.068 -13.036 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.428 1.606 -12.335 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.182 1.303 -14.561 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.764 1.926 -14.079 1.00 0.00 H new ATOM 323 N LEU A 22 5.333 -1.744 -10.668 1.00 0.00 N ATOM 324 CA LEU A 22 6.634 -2.354 -10.903 1.00 0.00 C ATOM 325 C LEU A 22 7.341 -2.840 -9.634 1.00 0.00 C ATOM 326 O LEU A 22 8.427 -3.408 -9.746 1.00 0.00 O ATOM 327 CB LEU A 22 7.527 -1.354 -11.667 1.00 0.00 C ATOM 328 CG LEU A 22 7.770 -1.719 -13.138 1.00 0.00 C ATOM 329 CD1 LEU A 22 8.389 -3.109 -13.276 1.00 0.00 C ATOM 330 CD2 LEU A 22 6.514 -1.618 -14.009 1.00 0.00 C ATOM 0 H LEU A 22 5.312 -1.124 -9.858 1.00 0.00 H new ATOM 0 HA LEU A 22 6.458 -3.252 -11.495 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.068 -0.366 -11.621 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.489 -1.282 -11.159 1.00 0.00 H new ATOM 0 HG LEU A 22 8.475 -0.974 -13.506 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.547 -3.334 -14.331 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.345 -3.135 -12.752 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.718 -3.851 -12.844 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.760 -1.890 -15.035 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.751 -2.296 -13.627 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.136 -0.596 -13.985 1.00 0.00 H new ATOM 342 N ARG A 23 6.821 -2.588 -8.424 1.00 0.00 N ATOM 343 CA ARG A 23 7.581 -2.908 -7.207 1.00 0.00 C ATOM 344 C ARG A 23 7.399 -4.377 -6.842 1.00 0.00 C ATOM 345 O ARG A 23 8.351 -5.049 -6.464 1.00 0.00 O ATOM 346 CB ARG A 23 7.174 -2.056 -5.990 1.00 0.00 C ATOM 347 CG ARG A 23 7.244 -0.520 -5.979 1.00 0.00 C ATOM 348 CD ARG A 23 7.456 0.119 -7.331 1.00 0.00 C ATOM 349 NE ARG A 23 7.793 1.545 -7.216 1.00 0.00 N ATOM 350 CZ ARG A 23 6.955 2.543 -6.906 1.00 0.00 C ATOM 351 NH1 ARG A 23 5.635 2.386 -6.943 1.00 0.00 N ATOM 352 NH2 ARG A 23 7.437 3.718 -6.529 1.00 0.00 N ATOM 0 H ARG A 23 5.902 -2.175 -8.263 1.00 0.00 H new ATOM 0 HA ARG A 23 8.622 -2.685 -7.440 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.142 -2.320 -5.760 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.785 -2.399 -5.155 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.319 -0.132 -5.552 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.054 -0.213 -5.318 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.256 -0.402 -7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.553 0.006 -7.931 1.00 0.00 H new ATOM 0 HE ARG A 23 8.765 1.801 -7.390 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.236 1.487 -7.213 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.022 3.165 -6.701 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.445 3.862 -6.475 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.800 4.479 -6.293 1.00 0.00 H new ATOM 366 N VAL A 24 6.152 -4.832 -6.891 1.00 0.00 N ATOM 367 CA VAL A 24 5.671 -6.127 -6.418 1.00 0.00 C ATOM 368 C VAL A 24 4.662 -6.612 -7.455 1.00 0.00 C ATOM 369 O VAL A 24 3.470 -6.694 -7.183 1.00 0.00 O ATOM 370 CB VAL A 24 5.147 -5.999 -4.958 1.00 0.00 C ATOM 371 CG1 VAL A 24 4.147 -4.852 -4.769 1.00 0.00 C ATOM 372 CG2 VAL A 24 4.520 -7.258 -4.337 1.00 0.00 C ATOM 0 H VAL A 24 5.400 -4.269 -7.288 1.00 0.00 H new ATOM 0 HA VAL A 24 6.450 -6.886 -6.342 1.00 0.00 H new ATOM 0 HB VAL A 24 6.079 -5.802 -4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.822 -4.820 -3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.624 -3.907 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.283 -5.013 -5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.195 -7.039 -3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.662 -7.569 -4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.258 -8.060 -4.317 1.00 0.00 H new ATOM 382 N GLU A 25 5.140 -6.849 -8.674 1.00 0.00 N ATOM 383 CA GLU A 25 4.321 -7.262 -9.826 1.00 0.00 C ATOM 384 C GLU A 25 3.478 -8.503 -9.489 1.00 0.00 C ATOM 385 O GLU A 25 2.338 -8.626 -9.934 1.00 0.00 O ATOM 386 CB GLU A 25 5.161 -7.418 -11.098 1.00 0.00 C ATOM 387 CG GLU A 25 4.975 -6.310 -12.154 1.00 0.00 C ATOM 388 CD GLU A 25 3.628 -6.316 -12.893 1.00 0.00 C ATOM 389 OE1 GLU A 25 2.707 -7.067 -12.500 1.00 0.00 O ATOM 390 OE2 GLU A 25 3.499 -5.559 -13.881 1.00 0.00 O ATOM 0 H GLU A 25 6.130 -6.759 -8.900 1.00 0.00 H new ATOM 0 HA GLU A 25 3.613 -6.462 -10.044 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.213 -7.454 -10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.921 -8.377 -11.556 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.097 -5.343 -11.665 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.774 -6.397 -12.891 1.00 0.00 H new ATOM 397 N SER A 26 4.018 -9.359 -8.613 1.00 0.00 N ATOM 398 CA SER A 26 3.382 -10.178 -7.578 1.00 0.00 C ATOM 399 C SER A 26 4.235 -11.413 -7.290 1.00 0.00 C ATOM 400 O SER A 26 5.089 -11.800 -8.093 1.00 0.00 O ATOM 401 CB SER A 26 1.899 -10.518 -7.840 1.00 0.00 C ATOM 402 OG SER A 26 1.659 -11.022 -9.137 1.00 0.00 O ATOM 0 H SER A 26 5.027 -9.510 -8.614 1.00 0.00 H new ATOM 0 HA SER A 26 3.341 -9.564 -6.678 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.567 -11.252 -7.106 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.297 -9.622 -7.689 1.00 0.00 H new ATOM 0 HG SER A 26 1.720 -10.292 -9.788 1.00 0.00 H new ATOM 408 N SER A 27 3.972 -12.063 -6.157 1.00 0.00 N ATOM 409 CA SER A 27 4.443 -13.414 -5.894 1.00 0.00 C ATOM 410 C SER A 27 3.240 -14.266 -5.526 1.00 0.00 C ATOM 411 O SER A 27 2.954 -15.232 -6.230 1.00 0.00 O ATOM 412 CB SER A 27 5.525 -13.455 -4.812 1.00 0.00 C ATOM 413 OG SER A 27 6.573 -12.554 -5.094 1.00 0.00 O ATOM 0 H SER A 27 3.424 -11.662 -5.396 1.00 0.00 H new ATOM 0 HA SER A 27 4.920 -13.812 -6.790 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.084 -13.211 -3.846 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.924 -14.466 -4.734 1.00 0.00 H new ATOM 0 HG SER A 27 7.247 -12.603 -4.384 1.00 0.00 H new ATOM 419 N SER A 28 2.518 -13.905 -4.459 1.00 0.00 N ATOM 420 CA SER A 28 1.494 -14.775 -3.909 1.00 0.00 C ATOM 421 C SER A 28 0.321 -14.003 -3.305 1.00 0.00 C ATOM 422 O SER A 28 0.288 -12.766 -3.276 1.00 0.00 O ATOM 423 CB SER A 28 2.181 -15.683 -2.878 1.00 0.00 C ATOM 424 OG SER A 28 2.688 -14.953 -1.780 1.00 0.00 O ATOM 0 H SER A 28 2.629 -13.019 -3.967 1.00 0.00 H new ATOM 0 HA SER A 28 1.048 -15.370 -4.706 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.470 -16.427 -2.520 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.995 -16.225 -3.359 1.00 0.00 H new ATOM 0 HG SER A 28 3.115 -15.568 -1.148 1.00 0.00 H new ATOM 430 N LYS A 29 -0.626 -14.752 -2.736 1.00 0.00 N ATOM 431 CA LYS A 29 -1.654 -14.236 -1.838 1.00 0.00 C ATOM 432 C LYS A 29 -1.078 -13.497 -0.625 1.00 0.00 C ATOM 433 O LYS A 29 -1.868 -12.874 0.090 1.00 0.00 O ATOM 434 CB LYS A 29 -2.553 -15.387 -1.347 1.00 0.00 C ATOM 435 CG LYS A 29 -3.867 -15.546 -2.119 1.00 0.00 C ATOM 436 CD LYS A 29 -3.692 -15.984 -3.573 1.00 0.00 C ATOM 437 CE LYS A 29 -5.072 -16.003 -4.239 1.00 0.00 C ATOM 438 NZ LYS A 29 -5.006 -16.462 -5.639 1.00 0.00 N ATOM 0 H LYS A 29 -0.699 -15.757 -2.892 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.233 -13.515 -2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.994 -16.320 -1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.783 -15.226 -0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.491 -16.276 -1.604 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.404 -14.597 -2.099 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.026 -15.299 -4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.234 -16.972 -3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.737 -16.656 -3.675 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.504 -15.003 -4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.961 -16.459 -6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.392 -15.824 -6.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.618 -17.427 -5.670 1.00 0.00 H new ATOM 452 N LEU A 30 0.231 -13.555 -0.348 1.00 0.00 N ATOM 453 CA LEU A 30 0.845 -12.801 0.735 1.00 0.00 C ATOM 454 C LEU A 30 0.698 -11.307 0.475 1.00 0.00 C ATOM 455 O LEU A 30 0.015 -10.630 1.238 1.00 0.00 O ATOM 456 CB LEU A 30 2.319 -13.185 0.911 1.00 0.00 C ATOM 457 CG LEU A 30 3.040 -12.274 1.918 1.00 0.00 C ATOM 458 CD1 LEU A 30 2.371 -12.276 3.296 1.00 0.00 C ATOM 459 CD2 LEU A 30 4.491 -12.727 2.021 1.00 0.00 C ATOM 0 H LEU A 30 0.889 -14.130 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 30 0.331 -13.047 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.386 -14.220 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.825 -13.130 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 30 2.986 -11.247 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.920 -11.617 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.344 -11.924 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.372 -13.288 3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.021 -12.092 2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.526 -13.762 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.966 -12.651 1.043 1.00 0.00 H new ATOM 471 N TRP A 31 1.306 -10.789 -0.600 1.00 0.00 N ATOM 472 CA TRP A 31 1.206 -9.372 -0.946 1.00 0.00 C ATOM 473 C TRP A 31 -0.263 -8.943 -0.998 1.00 0.00 C ATOM 474 O TRP A 31 -0.648 -7.881 -0.500 1.00 0.00 O ATOM 475 CB TRP A 31 1.906 -9.108 -2.292 1.00 0.00 C ATOM 476 CG TRP A 31 1.277 -8.105 -3.217 1.00 0.00 C ATOM 477 CD1 TRP A 31 1.391 -6.759 -3.146 1.00 0.00 C ATOM 478 CD2 TRP A 31 0.450 -8.368 -4.388 1.00 0.00 C ATOM 479 NE1 TRP A 31 0.761 -6.185 -4.233 1.00 0.00 N ATOM 480 CE2 TRP A 31 0.147 -7.129 -5.022 1.00 0.00 C ATOM 481 CE3 TRP A 31 -0.058 -9.539 -4.984 1.00 0.00 C ATOM 482 CZ2 TRP A 31 -0.601 -7.052 -6.205 1.00 0.00 C ATOM 483 CZ3 TRP A 31 -0.808 -9.475 -6.175 1.00 0.00 C ATOM 484 CH2 TRP A 31 -1.063 -8.237 -6.792 1.00 0.00 C ATOM 0 H TRP A 31 1.875 -11.337 -1.246 1.00 0.00 H new ATOM 0 HA TRP A 31 1.705 -8.780 -0.178 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.924 -8.780 -2.083 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.980 -10.056 -2.824 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.897 -6.217 -2.361 1.00 0.00 H new ATOM 0 HE1 TRP A 31 0.752 -5.184 -4.427 1.00 0.00 H new ATOM 0 HE3 TRP A 31 0.130 -10.497 -4.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.817 -6.095 -6.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.190 -10.383 -6.617 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.616 -8.200 -7.719 1.00 0.00 H new ATOM 495 N ALA A 32 -1.096 -9.802 -1.583 1.00 0.00 N ATOM 496 CA ALA A 32 -2.509 -9.554 -1.775 1.00 0.00 C ATOM 497 C ALA A 32 -3.256 -9.450 -0.445 1.00 0.00 C ATOM 498 O ALA A 32 -4.236 -8.707 -0.364 1.00 0.00 O ATOM 499 CB ALA A 32 -3.117 -10.649 -2.644 1.00 0.00 C ATOM 0 H ALA A 32 -0.793 -10.707 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.613 -8.594 -2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.180 -10.454 -2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.620 -10.661 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.986 -11.615 -2.157 1.00 0.00 H new ATOM 505 N GLN A 33 -2.794 -10.131 0.611 1.00 0.00 N ATOM 506 CA GLN A 33 -3.328 -9.992 1.957 1.00 0.00 C ATOM 507 C GLN A 33 -3.164 -8.570 2.501 1.00 0.00 C ATOM 508 O GLN A 33 -3.813 -8.235 3.486 1.00 0.00 O ATOM 509 CB GLN A 33 -2.675 -11.004 2.915 1.00 0.00 C ATOM 510 CG GLN A 33 -3.765 -11.763 3.670 1.00 0.00 C ATOM 511 CD GLN A 33 -3.206 -12.578 4.828 1.00 0.00 C ATOM 512 OE1 GLN A 33 -2.284 -13.375 4.651 1.00 0.00 O ATOM 513 NE2 GLN A 33 -3.768 -12.413 6.011 1.00 0.00 N ATOM 0 H GLN A 33 -2.028 -10.801 0.546 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.396 -10.201 1.895 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.052 -11.701 2.355 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.022 -10.487 3.618 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.501 -11.055 4.049 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.287 -12.426 2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.530 -11.745 6.125 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.440 -12.954 6.811 1.00 0.00 H new ATOM 522 N CYS A 34 -2.373 -7.723 1.846 1.00 0.00 N ATOM 523 CA CYS A 34 -2.222 -6.314 2.153 1.00 0.00 C ATOM 524 C CYS A 34 -2.774 -5.448 1.025 1.00 0.00 C ATOM 525 O CYS A 34 -3.307 -4.363 1.273 1.00 0.00 O ATOM 526 CB CYS A 34 -0.742 -6.091 2.473 1.00 0.00 C ATOM 527 SG CYS A 34 -0.544 -5.117 3.982 1.00 0.00 S ATOM 0 H CYS A 34 -1.799 -8.018 1.056 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.808 -6.012 3.021 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.243 -7.053 2.589 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.259 -5.580 1.640 1.00 0.00 H new ATOM 0 HG CYS A 34 0.722 -4.948 4.226 1.00 0.00 H new ATOM 533 N VAL A 35 -2.786 -5.958 -0.208 1.00 0.00 N ATOM 534 CA VAL A 35 -3.488 -5.297 -1.288 1.00 0.00 C ATOM 535 C VAL A 35 -5.014 -5.295 -1.058 1.00 0.00 C ATOM 536 O VAL A 35 -5.681 -4.463 -1.665 1.00 0.00 O ATOM 537 CB VAL A 35 -3.036 -5.870 -2.657 1.00 0.00 C ATOM 538 CG1 VAL A 35 -4.078 -6.708 -3.414 1.00 0.00 C ATOM 539 CG2 VAL A 35 -2.572 -4.728 -3.564 1.00 0.00 C ATOM 0 H VAL A 35 -2.317 -6.824 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.216 -4.242 -1.304 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.229 -6.560 -2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.652 -7.055 -4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.365 -7.567 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.958 -6.097 -3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.255 -5.133 -4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.394 -4.029 -3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.736 -4.208 -3.096 1.00 0.00 H new ATOM 549 N GLN A 36 -5.586 -6.131 -0.181 1.00 0.00 N ATOM 550 CA GLN A 36 -6.981 -5.992 0.256 1.00 0.00 C ATOM 551 C GLN A 36 -7.183 -4.669 1.015 1.00 0.00 C ATOM 552 O GLN A 36 -7.769 -3.729 0.478 1.00 0.00 O ATOM 553 CB GLN A 36 -7.477 -7.211 1.062 1.00 0.00 C ATOM 554 CG GLN A 36 -6.500 -7.757 2.119 1.00 0.00 C ATOM 555 CD GLN A 36 -7.144 -8.383 3.358 1.00 0.00 C ATOM 556 OE1 GLN A 36 -8.293 -8.133 3.718 1.00 0.00 O ATOM 557 NE2 GLN A 36 -6.371 -9.157 4.094 1.00 0.00 N ATOM 0 H GLN A 36 -5.097 -6.919 0.244 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.601 -5.961 -0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.407 -6.939 1.560 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.713 -8.014 0.363 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.863 -8.505 1.646 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.851 -6.943 2.442 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.419 -9.362 3.792 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.725 -9.551 4.966 1.00 0.00 H new ATOM 566 N LEU A 37 -6.672 -4.585 2.249 1.00 0.00 N ATOM 567 CA LEU A 37 -6.938 -3.570 3.260 1.00 0.00 C ATOM 568 C LEU A 37 -6.711 -2.153 2.761 1.00 0.00 C ATOM 569 O LEU A 37 -7.392 -1.243 3.223 1.00 0.00 O ATOM 570 CB LEU A 37 -6.073 -3.850 4.513 1.00 0.00 C ATOM 571 CG LEU A 37 -6.851 -4.136 5.810 1.00 0.00 C ATOM 572 CD1 LEU A 37 -7.638 -2.921 6.302 1.00 0.00 C ATOM 573 CD2 LEU A 37 -7.794 -5.337 5.681 1.00 0.00 C ATOM 0 H LEU A 37 -6.010 -5.283 2.587 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.996 -3.636 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.427 -4.702 4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.423 -2.992 4.683 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.087 -4.377 6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.168 -3.178 7.219 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.951 -2.098 6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.357 -2.620 5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.316 -5.492 6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.521 -5.146 4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.217 -6.228 5.435 1.00 0.00 H new ATOM 585 N HIS A 38 -5.836 -1.948 1.771 1.00 0.00 N ATOM 586 CA HIS A 38 -5.684 -0.638 1.150 1.00 0.00 C ATOM 587 C HIS A 38 -7.024 -0.019 0.732 1.00 0.00 C ATOM 588 O HIS A 38 -7.133 1.200 0.746 1.00 0.00 O ATOM 589 CB HIS A 38 -4.732 -0.699 -0.037 1.00 0.00 C ATOM 590 CG HIS A 38 -5.420 -0.708 -1.392 1.00 0.00 C ATOM 591 ND1 HIS A 38 -5.797 -1.813 -2.116 1.00 0.00 N ATOM 592 CD2 HIS A 38 -5.758 0.388 -2.135 1.00 0.00 C ATOM 593 CE1 HIS A 38 -6.320 -1.389 -3.276 1.00 0.00 C ATOM 594 NE2 HIS A 38 -6.402 -0.049 -3.273 1.00 0.00 N ATOM 0 H HIS A 38 -5.227 -2.671 1.388 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.255 0.013 1.912 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.058 0.156 0.009 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.117 -1.595 0.051 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.697 -2.785 -1.823 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.556 1.417 -1.876 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.629 -2.029 -4.090 1.00 0.00 H new ATOM 603 N ASN A 39 -7.999 -0.833 0.307 1.00 0.00 N ATOM 604 CA ASN A 39 -9.308 -0.395 -0.178 1.00 0.00 C ATOM 605 C ASN A 39 -10.157 0.194 0.953 1.00 0.00 C ATOM 606 O ASN A 39 -10.913 1.143 0.749 1.00 0.00 O ATOM 607 CB ASN A 39 -10.016 -1.587 -0.835 1.00 0.00 C ATOM 608 CG ASN A 39 -11.460 -1.340 -1.247 1.00 0.00 C ATOM 609 OD1 ASN A 39 -12.256 -2.266 -1.225 1.00 0.00 O ATOM 610 ND2 ASN A 39 -11.810 -0.179 -1.776 1.00 0.00 N ATOM 0 H ASN A 39 -7.892 -1.847 0.292 1.00 0.00 H new ATOM 0 HA ASN A 39 -9.169 0.398 -0.913 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.449 -1.883 -1.718 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.992 -2.429 -0.143 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.745 -0.057 -2.166 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.145 0.594 -1.794 1.00 0.00 H new ATOM 617 N ASP A 40 -9.983 -0.302 2.171 1.00 0.00 N ATOM 618 CA ASP A 40 -10.535 0.272 3.377 1.00 0.00 C ATOM 619 C ASP A 40 -9.798 1.599 3.633 1.00 0.00 C ATOM 620 O ASP A 40 -10.432 2.650 3.744 1.00 0.00 O ATOM 621 CB ASP A 40 -10.375 -0.770 4.509 1.00 0.00 C ATOM 622 CG ASP A 40 -11.574 -1.701 4.714 1.00 0.00 C ATOM 623 OD1 ASP A 40 -12.476 -1.784 3.851 1.00 0.00 O ATOM 624 OD2 ASP A 40 -11.562 -2.409 5.748 1.00 0.00 O ATOM 0 H ASP A 40 -9.434 -1.144 2.345 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.598 0.502 3.307 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.495 -1.378 4.299 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.182 -0.242 5.443 1.00 0.00 H new ATOM 629 N ILE A 41 -8.460 1.565 3.659 1.00 0.00 N ATOM 630 CA ILE A 41 -7.544 2.649 3.995 1.00 0.00 C ATOM 631 C ILE A 41 -7.814 3.973 3.265 1.00 0.00 C ATOM 632 O ILE A 41 -7.471 4.992 3.849 1.00 0.00 O ATOM 633 CB ILE A 41 -6.070 2.160 3.854 1.00 0.00 C ATOM 634 CG1 ILE A 41 -5.736 1.028 4.862 1.00 0.00 C ATOM 635 CG2 ILE A 41 -5.015 3.259 4.001 1.00 0.00 C ATOM 636 CD1 ILE A 41 -5.537 1.469 6.318 1.00 0.00 C ATOM 0 H ILE A 41 -7.956 0.709 3.427 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.729 2.904 5.038 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.020 1.790 2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.539 0.291 4.832 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.829 0.525 4.527 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.021 2.826 3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.170 4.017 3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.102 3.717 4.986 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.309 0.599 6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.712 2.179 6.373 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.449 1.942 6.683 1.00 0.00 H new ATOM 648 N LEU A 42 -8.456 4.050 2.086 1.00 0.00 N ATOM 649 CA LEU A 42 -8.681 5.343 1.430 1.00 0.00 C ATOM 650 C LEU A 42 -9.526 6.300 2.270 1.00 0.00 C ATOM 651 O LEU A 42 -9.460 7.501 2.029 1.00 0.00 O ATOM 652 CB LEU A 42 -9.340 5.253 0.045 1.00 0.00 C ATOM 653 CG LEU A 42 -8.679 4.440 -1.073 1.00 0.00 C ATOM 654 CD1 LEU A 42 -7.155 4.548 -1.103 1.00 0.00 C ATOM 655 CD2 LEU A 42 -9.113 2.982 -0.994 1.00 0.00 C ATOM 0 H LEU A 42 -8.822 3.245 1.578 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.667 5.727 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.342 4.848 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.458 6.272 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.024 4.878 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.764 3.944 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.867 5.589 -1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.746 4.188 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.636 2.416 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.818 2.566 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.196 2.918 -1.101 1.00 0.00 H new ATOM 667 N LEU A 43 -10.281 5.815 3.259 1.00 0.00 N ATOM 668 CA LEU A 43 -11.033 6.655 4.194 1.00 0.00 C ATOM 669 C LEU A 43 -10.531 6.428 5.604 1.00 0.00 C ATOM 670 O LEU A 43 -11.315 6.297 6.547 1.00 0.00 O ATOM 671 CB LEU A 43 -12.548 6.474 3.982 1.00 0.00 C ATOM 672 CG LEU A 43 -13.231 7.704 3.371 1.00 0.00 C ATOM 673 CD1 LEU A 43 -12.501 8.201 2.127 1.00 0.00 C ATOM 674 CD2 LEU A 43 -14.662 7.296 3.024 1.00 0.00 C ATOM 0 H LEU A 43 -10.388 4.816 3.435 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.859 7.713 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.716 5.615 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.016 6.246 4.940 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.217 8.528 4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.018 9.073 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.479 8.474 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.484 7.412 1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.186 8.145 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.643 6.473 2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.180 6.979 3.929 1.00 0.00 H new ATOM 686 N ALA A 44 -9.208 6.359 5.733 1.00 0.00 N ATOM 687 CA ALA A 44 -8.568 6.120 7.024 1.00 0.00 C ATOM 688 C ALA A 44 -8.724 7.368 7.889 1.00 0.00 C ATOM 689 O ALA A 44 -9.386 7.333 8.932 1.00 0.00 O ATOM 690 CB ALA A 44 -7.104 5.719 6.836 1.00 0.00 C ATOM 0 H ALA A 44 -8.556 6.466 4.956 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.051 5.287 7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.646 5.546 7.810 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.050 4.807 6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.571 6.519 6.322 1.00 0.00 H new ATOM 696 N LYS A 45 -8.147 8.483 7.438 1.00 0.00 N ATOM 697 CA LYS A 45 -8.087 9.715 8.209 1.00 0.00 C ATOM 698 C LYS A 45 -8.588 10.888 7.393 1.00 0.00 C ATOM 699 O LYS A 45 -9.582 11.514 7.756 1.00 0.00 O ATOM 700 CB LYS A 45 -6.669 9.885 8.777 1.00 0.00 C ATOM 701 CG LYS A 45 -6.563 11.080 9.734 1.00 0.00 C ATOM 702 CD LYS A 45 -7.210 10.829 11.102 1.00 0.00 C ATOM 703 CE LYS A 45 -7.619 12.165 11.731 1.00 0.00 C ATOM 704 NZ LYS A 45 -8.424 11.963 12.951 1.00 0.00 N ATOM 0 H LYS A 45 -7.707 8.552 6.521 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.761 9.668 9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.379 8.975 9.302 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.965 10.017 7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.511 11.327 9.878 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.034 11.948 9.272 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.083 10.186 10.990 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.511 10.307 11.756 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.727 12.743 11.974 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.190 12.749 11.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.684 12.887 13.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.287 11.433 12.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.869 11.427 13.648 1.00 0.00 H new ATOM 718 N ASP A 46 -7.930 11.171 6.290 1.00 0.00 N ATOM 719 CA ASP A 46 -8.352 12.163 5.309 1.00 0.00 C ATOM 720 C ASP A 46 -7.778 11.737 3.971 1.00 0.00 C ATOM 721 O ASP A 46 -6.893 10.878 3.965 1.00 0.00 O ATOM 722 CB ASP A 46 -7.834 13.559 5.682 1.00 0.00 C ATOM 723 CG ASP A 46 -8.805 14.640 5.218 1.00 0.00 C ATOM 724 OD1 ASP A 46 -9.442 14.491 4.159 1.00 0.00 O ATOM 725 OD2 ASP A 46 -8.984 15.644 5.945 1.00 0.00 O ATOM 0 H ASP A 46 -7.058 10.706 6.038 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.440 12.219 5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.699 13.625 6.762 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.857 13.722 5.228 1.00 0.00 H new ATOM 730 N THR A 47 -8.235 12.327 2.868 1.00 0.00 N ATOM 731 CA THR A 47 -7.943 11.900 1.508 1.00 0.00 C ATOM 732 C THR A 47 -6.440 11.706 1.269 1.00 0.00 C ATOM 733 O THR A 47 -6.066 10.739 0.600 1.00 0.00 O ATOM 734 CB THR A 47 -8.588 12.910 0.539 1.00 0.00 C ATOM 735 OG1 THR A 47 -9.965 13.042 0.845 1.00 0.00 O ATOM 736 CG2 THR A 47 -8.495 12.493 -0.930 1.00 0.00 C ATOM 0 H THR A 47 -8.842 13.146 2.902 1.00 0.00 H new ATOM 0 HA THR A 47 -8.375 10.915 1.328 1.00 0.00 H new ATOM 0 HB THR A 47 -8.038 13.842 0.668 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.376 13.685 0.231 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.969 13.251 -1.554 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.447 12.393 -1.214 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.002 11.538 -1.070 1.00 0.00 H new ATOM 744 N THR A 48 -5.586 12.565 1.834 1.00 0.00 N ATOM 745 CA THR A 48 -4.148 12.385 1.729 1.00 0.00 C ATOM 746 C THR A 48 -3.703 11.228 2.628 1.00 0.00 C ATOM 747 O THR A 48 -3.295 10.189 2.114 1.00 0.00 O ATOM 748 CB THR A 48 -3.433 13.716 2.018 1.00 0.00 C ATOM 749 OG1 THR A 48 -3.769 14.631 0.992 1.00 0.00 O ATOM 750 CG2 THR A 48 -1.912 13.564 2.058 1.00 0.00 C ATOM 0 H THR A 48 -5.871 13.387 2.366 1.00 0.00 H new ATOM 0 HA THR A 48 -3.867 12.105 0.714 1.00 0.00 H new ATOM 0 HB THR A 48 -3.756 14.068 2.998 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.324 15.488 1.159 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.455 14.532 2.265 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.637 12.858 2.842 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.558 13.194 1.096 1.00 0.00 H new ATOM 758 N GLU A 49 -3.755 11.396 3.954 1.00 0.00 N ATOM 759 CA GLU A 49 -3.051 10.531 4.907 1.00 0.00 C ATOM 760 C GLU A 49 -3.527 9.071 4.830 1.00 0.00 C ATOM 761 O GLU A 49 -2.809 8.136 5.184 1.00 0.00 O ATOM 762 CB GLU A 49 -3.242 11.065 6.329 1.00 0.00 C ATOM 763 CG GLU A 49 -2.739 12.507 6.500 1.00 0.00 C ATOM 764 CD GLU A 49 -2.690 12.910 7.975 1.00 0.00 C ATOM 765 OE1 GLU A 49 -3.611 12.538 8.738 1.00 0.00 O ATOM 766 OE2 GLU A 49 -1.711 13.566 8.395 1.00 0.00 O ATOM 0 H GLU A 49 -4.291 12.141 4.399 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.994 10.544 4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.300 11.022 6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.715 10.417 7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.745 12.602 6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.393 13.189 5.956 1.00 0.00 H new ATOM 773 N ALA A 50 -4.756 8.871 4.362 1.00 0.00 N ATOM 774 CA ALA A 50 -5.353 7.632 3.933 1.00 0.00 C ATOM 775 C ALA A 50 -4.538 6.964 2.835 1.00 0.00 C ATOM 776 O ALA A 50 -3.870 5.968 3.099 1.00 0.00 O ATOM 777 CB ALA A 50 -6.764 7.961 3.452 1.00 0.00 C ATOM 0 H ALA A 50 -5.409 9.649 4.269 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.382 6.921 4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.256 7.048 3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.334 8.401 4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.711 8.670 2.625 1.00 0.00 H new ATOM 783 N PHE A 51 -4.617 7.487 1.609 1.00 0.00 N ATOM 784 CA PHE A 51 -3.884 6.954 0.465 1.00 0.00 C ATOM 785 C PHE A 51 -2.408 6.797 0.824 1.00 0.00 C ATOM 786 O PHE A 51 -1.800 5.791 0.468 1.00 0.00 O ATOM 787 CB PHE A 51 -4.047 7.850 -0.786 1.00 0.00 C ATOM 788 CG PHE A 51 -2.731 8.277 -1.447 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.017 7.365 -2.248 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.128 9.513 -1.134 1.00 0.00 C ATOM 791 CE1 PHE A 51 -0.741 7.671 -2.740 1.00 0.00 C ATOM 792 CE2 PHE A 51 -0.833 9.814 -1.604 1.00 0.00 C ATOM 793 CZ PHE A 51 -0.138 8.889 -2.408 1.00 0.00 C ATOM 0 H PHE A 51 -5.195 8.297 1.384 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.301 5.977 0.221 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.650 7.317 -1.521 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.603 8.744 -0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.462 6.411 -2.488 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.661 10.233 -0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.224 6.967 -3.375 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.373 10.756 -1.347 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.855 9.119 -2.766 1.00 0.00 H new ATOM 803 N GLU A 52 -1.847 7.761 1.548 1.00 0.00 N ATOM 804 CA GLU A 52 -0.471 7.721 1.983 1.00 0.00 C ATOM 805 C GLU A 52 -0.207 6.430 2.752 1.00 0.00 C ATOM 806 O GLU A 52 0.693 5.676 2.381 1.00 0.00 O ATOM 807 CB GLU A 52 -0.168 8.981 2.800 1.00 0.00 C ATOM 808 CG GLU A 52 0.100 10.160 1.852 1.00 0.00 C ATOM 809 CD GLU A 52 0.706 11.382 2.539 1.00 0.00 C ATOM 810 OE1 GLU A 52 0.414 11.649 3.723 1.00 0.00 O ATOM 811 OE2 GLU A 52 1.435 12.134 1.848 1.00 0.00 O ATOM 0 H GLU A 52 -2.348 8.597 1.848 1.00 0.00 H new ATOM 0 HA GLU A 52 0.205 7.716 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.008 9.212 3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.698 8.812 3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.772 9.831 1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.836 10.450 1.376 1.00 0.00 H new ATOM 818 N LYS A 53 -1.041 6.094 3.746 1.00 0.00 N ATOM 819 CA LYS A 53 -0.834 4.855 4.486 1.00 0.00 C ATOM 820 C LYS A 53 -1.092 3.624 3.626 1.00 0.00 C ATOM 821 O LYS A 53 -0.501 2.579 3.885 1.00 0.00 O ATOM 822 CB LYS A 53 -1.588 4.831 5.826 1.00 0.00 C ATOM 823 CG LYS A 53 -0.781 4.065 6.896 1.00 0.00 C ATOM 824 CD LYS A 53 0.397 4.911 7.414 1.00 0.00 C ATOM 825 CE LYS A 53 1.555 4.075 7.977 1.00 0.00 C ATOM 826 NZ LYS A 53 2.825 4.837 7.960 1.00 0.00 N ATOM 0 H LYS A 53 -1.842 6.649 4.046 1.00 0.00 H new ATOM 0 HA LYS A 53 0.223 4.820 4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.771 5.851 6.164 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.562 4.360 5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.434 3.799 7.727 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.405 3.133 6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.771 5.533 6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.035 5.585 8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.324 3.771 8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.667 3.163 7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.539 4.334 8.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.161 4.930 6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.668 5.783 8.363 1.00 0.00 H new ATOM 840 N MET A 54 -1.929 3.725 2.586 1.00 0.00 N ATOM 841 CA MET A 54 -2.089 2.671 1.585 1.00 0.00 C ATOM 842 C MET A 54 -0.748 2.315 0.939 1.00 0.00 C ATOM 843 O MET A 54 -0.524 1.153 0.591 1.00 0.00 O ATOM 844 CB MET A 54 -3.196 3.030 0.572 1.00 0.00 C ATOM 845 CG MET A 54 -2.942 2.562 -0.876 1.00 0.00 C ATOM 846 SD MET A 54 -2.452 3.729 -2.158 1.00 0.00 S ATOM 847 CE MET A 54 -4.073 4.339 -2.679 1.00 0.00 C ATOM 0 H MET A 54 -2.514 4.543 2.417 1.00 0.00 H new ATOM 0 HA MET A 54 -2.427 1.762 2.082 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.135 2.597 0.917 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.326 4.112 0.569 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.170 1.794 -0.832 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.856 2.076 -1.219 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.968 4.906 -3.604 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.743 3.495 -2.844 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.486 4.984 -1.903 1.00 0.00 H new ATOM 857 N VAL A 55 0.124 3.288 0.727 1.00 0.00 N ATOM 858 CA VAL A 55 1.468 3.026 0.252 1.00 0.00 C ATOM 859 C VAL A 55 2.283 2.342 1.367 1.00 0.00 C ATOM 860 O VAL A 55 2.941 1.338 1.077 1.00 0.00 O ATOM 861 CB VAL A 55 2.090 4.322 -0.308 1.00 0.00 C ATOM 862 CG1 VAL A 55 3.303 4.017 -1.189 1.00 0.00 C ATOM 863 CG2 VAL A 55 1.109 5.136 -1.173 1.00 0.00 C ATOM 0 H VAL A 55 -0.081 4.276 0.879 1.00 0.00 H new ATOM 0 HA VAL A 55 1.462 2.326 -0.583 1.00 0.00 H new ATOM 0 HB VAL A 55 2.371 4.902 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.720 4.949 -1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.058 3.495 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.996 3.389 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.605 6.035 -1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.784 4.532 -2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.243 5.417 -0.574 1.00 0.00 H new ATOM 873 N SER A 56 2.201 2.785 2.630 1.00 0.00 N ATOM 874 CA SER A 56 3.129 2.329 3.664 1.00 0.00 C ATOM 875 C SER A 56 2.991 0.856 4.014 1.00 0.00 C ATOM 876 O SER A 56 4.004 0.176 4.153 1.00 0.00 O ATOM 877 CB SER A 56 3.058 3.154 4.953 1.00 0.00 C ATOM 878 OG SER A 56 2.478 4.417 4.761 1.00 0.00 O ATOM 0 H SER A 56 1.504 3.455 2.955 1.00 0.00 H new ATOM 0 HA SER A 56 4.105 2.479 3.203 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.483 2.605 5.699 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.064 3.279 5.355 1.00 0.00 H new ATOM 0 HG SER A 56 2.741 4.768 3.885 1.00 0.00 H new ATOM 884 N LEU A 57 1.759 0.341 4.105 1.00 0.00 N ATOM 885 CA LEU A 57 1.511 -1.097 4.236 1.00 0.00 C ATOM 886 C LEU A 57 2.336 -1.857 3.218 1.00 0.00 C ATOM 887 O LEU A 57 3.071 -2.759 3.598 1.00 0.00 O ATOM 888 CB LEU A 57 0.041 -1.531 4.076 1.00 0.00 C ATOM 889 CG LEU A 57 -0.894 -0.597 3.291 1.00 0.00 C ATOM 890 CD1 LEU A 57 -1.663 -1.340 2.188 1.00 0.00 C ATOM 891 CD2 LEU A 57 -1.929 -0.014 4.254 1.00 0.00 C ATOM 0 H LEU A 57 0.911 0.907 4.090 1.00 0.00 H new ATOM 0 HA LEU A 57 1.795 -1.332 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.029 -2.506 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.379 -1.668 5.072 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.276 0.174 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.310 -0.639 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.956 -1.780 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.269 -2.128 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.599 0.651 3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.506 -0.823 4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.421 0.546 5.039 1.00 0.00 H new ATOM 903 N LEU A 58 2.203 -1.531 1.931 1.00 0.00 N ATOM 904 CA LEU A 58 2.915 -2.321 0.938 1.00 0.00 C ATOM 905 C LEU A 58 4.426 -2.113 0.991 1.00 0.00 C ATOM 906 O LEU A 58 5.142 -3.079 0.738 1.00 0.00 O ATOM 907 CB LEU A 58 2.335 -2.186 -0.472 1.00 0.00 C ATOM 908 CG LEU A 58 1.672 -3.500 -0.923 1.00 0.00 C ATOM 909 CD1 LEU A 58 0.398 -3.869 -0.150 1.00 0.00 C ATOM 910 CD2 LEU A 58 1.323 -3.361 -2.401 1.00 0.00 C ATOM 0 H LEU A 58 1.637 -0.764 1.568 1.00 0.00 H new ATOM 0 HA LEU A 58 2.750 -3.362 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.602 -1.379 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.127 -1.915 -1.171 1.00 0.00 H new ATOM 0 HG LEU A 58 2.386 -4.300 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.001 -4.808 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.634 -3.981 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.345 -3.081 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.850 -4.279 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.637 -2.525 -2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.232 -3.180 -2.974 1.00 0.00 H new ATOM 922 N SER A 59 4.907 -0.926 1.371 1.00 0.00 N ATOM 923 CA SER A 59 6.328 -0.694 1.616 1.00 0.00 C ATOM 924 C SER A 59 6.859 -1.703 2.630 1.00 0.00 C ATOM 925 O SER A 59 7.795 -2.456 2.347 1.00 0.00 O ATOM 926 CB SER A 59 6.550 0.765 2.051 1.00 0.00 C ATOM 927 OG SER A 59 7.892 1.002 2.418 1.00 0.00 O ATOM 0 H SER A 59 4.322 -0.103 1.516 1.00 0.00 H new ATOM 0 HA SER A 59 6.895 -0.845 0.697 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.272 1.434 1.236 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.896 0.998 2.892 1.00 0.00 H new ATOM 0 HG SER A 59 8.398 1.300 1.634 1.00 0.00 H new ATOM 933 N VAL A 60 6.224 -1.758 3.793 1.00 0.00 N ATOM 934 CA VAL A 60 6.711 -2.538 4.927 1.00 0.00 C ATOM 935 C VAL A 60 6.451 -4.039 4.701 1.00 0.00 C ATOM 936 O VAL A 60 7.191 -4.889 5.199 1.00 0.00 O ATOM 937 CB VAL A 60 6.153 -1.937 6.240 1.00 0.00 C ATOM 938 CG1 VAL A 60 4.685 -2.281 6.520 1.00 0.00 C ATOM 939 CG2 VAL A 60 7.008 -2.319 7.453 1.00 0.00 C ATOM 0 H VAL A 60 5.353 -1.261 3.979 1.00 0.00 H new ATOM 0 HA VAL A 60 7.795 -2.472 5.022 1.00 0.00 H new ATOM 0 HB VAL A 60 6.202 -0.860 6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.376 -1.820 7.458 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.062 -1.905 5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.572 -3.363 6.593 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.581 -1.877 8.353 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.028 -3.404 7.557 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.024 -1.949 7.313 1.00 0.00 H new ATOM 949 N LEU A 61 5.453 -4.390 3.888 1.00 0.00 N ATOM 950 CA LEU A 61 5.110 -5.750 3.492 1.00 0.00 C ATOM 951 C LEU A 61 6.136 -6.325 2.528 1.00 0.00 C ATOM 952 O LEU A 61 6.391 -7.526 2.607 1.00 0.00 O ATOM 953 CB LEU A 61 3.687 -5.704 2.918 1.00 0.00 C ATOM 954 CG LEU A 61 3.118 -6.793 1.996 1.00 0.00 C ATOM 955 CD1 LEU A 61 3.746 -6.723 0.597 1.00 0.00 C ATOM 956 CD2 LEU A 61 3.134 -8.203 2.590 1.00 0.00 C ATOM 0 H LEU A 61 4.834 -3.696 3.469 1.00 0.00 H new ATOM 0 HA LEU A 61 5.130 -6.428 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.012 -5.638 3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.604 -4.764 2.373 1.00 0.00 H new ATOM 0 HG LEU A 61 2.056 -6.569 1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.323 -7.506 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.538 -5.750 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.824 -6.863 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.714 -8.906 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.160 -8.489 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.539 -8.220 3.503 1.00 0.00 H new ATOM 968 N LEU A 62 6.780 -5.526 1.660 1.00 0.00 N ATOM 969 CA LEU A 62 7.720 -6.060 0.677 1.00 0.00 C ATOM 970 C LEU A 62 8.807 -6.876 1.374 1.00 0.00 C ATOM 971 O LEU A 62 9.274 -7.860 0.812 1.00 0.00 O ATOM 972 CB LEU A 62 8.352 -4.953 -0.188 1.00 0.00 C ATOM 973 CG LEU A 62 7.860 -4.965 -1.651 1.00 0.00 C ATOM 974 CD1 LEU A 62 6.541 -4.200 -1.801 1.00 0.00 C ATOM 975 CD2 LEU A 62 8.899 -4.320 -2.569 1.00 0.00 C ATOM 0 H LEU A 62 6.663 -4.513 1.624 1.00 0.00 H new ATOM 0 HA LEU A 62 7.155 -6.709 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.128 -3.983 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.436 -5.066 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 62 7.706 -6.007 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.221 -4.227 -2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.778 -4.663 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.684 -3.165 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.537 -4.337 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.067 -3.288 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.835 -4.875 -2.505 1.00 0.00 H new ATOM 987 N SER A 63 9.147 -6.512 2.615 1.00 0.00 N ATOM 988 CA SER A 63 10.140 -7.165 3.451 1.00 0.00 C ATOM 989 C SER A 63 9.843 -8.668 3.531 1.00 0.00 C ATOM 990 O SER A 63 10.625 -9.495 3.057 1.00 0.00 O ATOM 991 CB SER A 63 10.107 -6.485 4.826 1.00 0.00 C ATOM 992 OG SER A 63 10.875 -7.147 5.800 1.00 0.00 O ATOM 0 H SER A 63 8.712 -5.715 3.079 1.00 0.00 H new ATOM 0 HA SER A 63 11.143 -7.068 3.035 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.468 -5.462 4.725 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.074 -6.426 5.168 1.00 0.00 H new ATOM 0 HG SER A 63 10.813 -6.663 6.650 1.00 0.00 H new ATOM 998 N MET A 64 8.693 -9.024 4.104 1.00 0.00 N ATOM 999 CA MET A 64 8.283 -10.414 4.266 1.00 0.00 C ATOM 1000 C MET A 64 7.960 -11.062 2.925 1.00 0.00 C ATOM 1001 O MET A 64 8.064 -12.283 2.792 1.00 0.00 O ATOM 1002 CB MET A 64 7.078 -10.530 5.202 1.00 0.00 C ATOM 1003 CG MET A 64 5.799 -9.865 4.669 1.00 0.00 C ATOM 1004 SD MET A 64 4.350 -10.068 5.756 1.00 0.00 S ATOM 1005 CE MET A 64 4.398 -11.846 6.116 1.00 0.00 C ATOM 0 H MET A 64 8.019 -8.352 4.469 1.00 0.00 H new ATOM 0 HA MET A 64 9.125 -10.944 4.711 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.876 -11.585 5.386 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.334 -10.082 6.162 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.987 -8.801 4.527 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.566 -10.282 3.689 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.400 -12.189 6.387 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.741 -12.387 5.234 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.083 -12.031 6.944 1.00 0.00 H new ATOM 1015 N GLN A 65 7.583 -10.248 1.934 1.00 0.00 N ATOM 1016 CA GLN A 65 7.275 -10.702 0.590 1.00 0.00 C ATOM 1017 C GLN A 65 8.535 -11.223 -0.123 1.00 0.00 C ATOM 1018 O GLN A 65 8.439 -11.747 -1.235 1.00 0.00 O ATOM 1019 CB GLN A 65 6.643 -9.552 -0.218 1.00 0.00 C ATOM 1020 CG GLN A 65 5.245 -9.808 -0.797 1.00 0.00 C ATOM 1021 CD GLN A 65 5.149 -10.737 -2.012 1.00 0.00 C ATOM 1022 OE1 GLN A 65 4.222 -11.543 -2.098 1.00 0.00 O ATOM 1023 NE2 GLN A 65 6.009 -10.578 -3.007 1.00 0.00 N ATOM 0 H GLN A 65 7.484 -9.240 2.054 1.00 0.00 H new ATOM 0 HA GLN A 65 6.565 -11.526 0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.590 -8.673 0.424 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.313 -9.305 -1.041 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.622 -10.223 -0.005 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.812 -8.846 -1.072 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.771 -9.906 -2.920 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.909 -11.128 -3.860 1.00 0.00 H new ATOM 1032 N GLY A 66 9.726 -11.030 0.451 1.00 0.00 N ATOM 1033 CA GLY A 66 10.995 -11.404 -0.149 1.00 0.00 C ATOM 1034 C GLY A 66 11.812 -10.187 -0.558 1.00 0.00 C ATOM 1035 O GLY A 66 12.473 -10.233 -1.594 1.00 0.00 O ATOM 0 H GLY A 66 9.829 -10.598 1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.568 -12.004 0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.813 -12.029 -1.023 1.00 0.00 H new ATOM 1039 N ALA A 67 11.765 -9.101 0.218 1.00 0.00 N ATOM 1040 CA ALA A 67 12.738 -8.021 0.122 1.00 0.00 C ATOM 1041 C ALA A 67 13.667 -8.097 1.334 1.00 0.00 C ATOM 1042 O ALA A 67 13.313 -8.697 2.351 1.00 0.00 O ATOM 1043 CB ALA A 67 12.038 -6.664 0.013 1.00 0.00 C ATOM 0 H ALA A 67 11.049 -8.950 0.929 1.00 0.00 H new ATOM 0 HA ALA A 67 13.334 -8.131 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.785 -5.874 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.409 -6.649 -0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.420 -6.501 0.896 1.00 0.00 H new ATOM 1049 N VAL A 68 14.868 -7.541 1.245 1.00 0.00 N ATOM 1050 CA VAL A 68 15.676 -7.151 2.394 1.00 0.00 C ATOM 1051 C VAL A 68 15.959 -5.653 2.277 1.00 0.00 C ATOM 1052 O VAL A 68 15.612 -4.878 3.171 1.00 0.00 O ATOM 1053 CB VAL A 68 16.886 -8.096 2.579 1.00 0.00 C ATOM 1054 CG1 VAL A 68 17.936 -8.028 1.467 1.00 0.00 C ATOM 1055 CG2 VAL A 68 17.561 -7.872 3.938 1.00 0.00 C ATOM 0 H VAL A 68 15.318 -7.344 0.351 1.00 0.00 H new ATOM 0 HA VAL A 68 15.151 -7.279 3.341 1.00 0.00 H new ATOM 0 HB VAL A 68 16.457 -9.097 2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.744 -8.726 1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.476 -8.293 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.337 -7.016 1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.408 -8.550 4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.911 -6.842 4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.844 -8.064 4.736 1.00 0.00 H new ATOM 1065 N ASP A 69 16.444 -5.209 1.119 1.00 0.00 N ATOM 1066 CA ASP A 69 16.922 -3.851 0.869 1.00 0.00 C ATOM 1067 C ASP A 69 15.820 -3.013 0.233 1.00 0.00 C ATOM 1068 O ASP A 69 16.051 -2.228 -0.687 1.00 0.00 O ATOM 1069 CB ASP A 69 18.163 -3.893 -0.032 1.00 0.00 C ATOM 1070 CG ASP A 69 19.331 -4.639 0.610 1.00 0.00 C ATOM 1071 OD1 ASP A 69 19.560 -4.426 1.822 1.00 0.00 O ATOM 1072 OD2 ASP A 69 19.954 -5.480 -0.083 1.00 0.00 O ATOM 0 H ASP A 69 16.518 -5.809 0.297 1.00 0.00 H new ATOM 0 HA ASP A 69 17.197 -3.389 1.817 1.00 0.00 H new ATOM 0 HB2 ASP A 69 17.906 -4.373 -0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 69 18.472 -2.874 -0.266 1.00 0.00 H new ATOM 1077 N ILE A 70 14.600 -3.161 0.738 1.00 0.00 N ATOM 1078 CA ILE A 70 13.553 -2.183 0.518 1.00 0.00 C ATOM 1079 C ILE A 70 13.324 -1.457 1.829 1.00 0.00 C ATOM 1080 O ILE A 70 13.456 -0.251 1.803 1.00 0.00 O ATOM 1081 CB ILE A 70 12.320 -2.812 -0.159 1.00 0.00 C ATOM 1082 CG1 ILE A 70 12.340 -2.571 -1.686 1.00 0.00 C ATOM 1083 CG2 ILE A 70 10.965 -2.372 0.419 1.00 0.00 C ATOM 1084 CD1 ILE A 70 13.241 -3.556 -2.439 1.00 0.00 C ATOM 0 H ILE A 70 14.315 -3.958 1.307 1.00 0.00 H new ATOM 0 HA ILE A 70 13.841 -1.423 -0.208 1.00 0.00 H new ATOM 0 HB ILE A 70 12.405 -3.877 0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.324 -2.648 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.680 -1.554 -1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.160 -2.868 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.914 -2.643 1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.859 -1.292 0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.211 -3.334 -3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 70 14.265 -3.462 -2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.888 -4.574 -2.271 1.00 0.00 H new ATOM 1096 N ASN A 71 13.043 -2.129 2.955 1.00 0.00 N ATOM 1097 CA ASN A 71 12.513 -1.501 4.173 1.00 0.00 C ATOM 1098 C ASN A 71 13.115 -0.119 4.457 1.00 0.00 C ATOM 1099 O ASN A 71 12.416 0.884 4.314 1.00 0.00 O ATOM 1100 CB ASN A 71 12.607 -2.445 5.387 1.00 0.00 C ATOM 1101 CG ASN A 71 11.767 -1.950 6.563 1.00 0.00 C ATOM 1102 OD1 ASN A 71 11.338 -0.805 6.620 1.00 0.00 O ATOM 1103 ND2 ASN A 71 11.497 -2.805 7.532 1.00 0.00 N ATOM 0 H ASN A 71 13.179 -3.136 3.046 1.00 0.00 H new ATOM 0 HA ASN A 71 11.455 -1.320 3.986 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.274 -3.442 5.098 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.648 -2.534 5.697 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.931 -2.511 8.328 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.854 -3.759 7.485 1.00 0.00 H new ATOM 1110 N ARG A 72 14.405 -0.026 4.799 1.00 0.00 N ATOM 1111 CA ARG A 72 15.006 1.268 5.145 1.00 0.00 C ATOM 1112 C ARG A 72 15.333 2.117 3.938 1.00 0.00 C ATOM 1113 O ARG A 72 15.312 3.346 4.004 1.00 0.00 O ATOM 1114 CB ARG A 72 16.253 1.067 5.981 1.00 0.00 C ATOM 1115 CG ARG A 72 15.958 0.448 7.358 1.00 0.00 C ATOM 1116 CD ARG A 72 14.542 0.702 7.886 1.00 0.00 C ATOM 1117 NE ARG A 72 14.273 0.248 9.252 1.00 0.00 N ATOM 1118 CZ ARG A 72 13.887 -0.996 9.541 1.00 0.00 C ATOM 1119 NH1 ARG A 72 14.336 -2.018 8.817 1.00 0.00 N ATOM 1120 NH2 ARG A 72 13.033 -1.210 10.529 1.00 0.00 N ATOM 0 H ARG A 72 15.045 -0.819 4.844 1.00 0.00 H new ATOM 0 HA ARG A 72 14.254 1.808 5.720 1.00 0.00 H new ATOM 0 HB2 ARG A 72 16.947 0.423 5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.750 2.027 6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.121 -0.628 7.300 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.675 0.841 8.079 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.344 1.773 7.835 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.833 0.214 7.217 1.00 0.00 H new ATOM 0 HE ARG A 72 14.386 0.913 10.017 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.976 -1.851 8.040 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.040 -2.969 9.039 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.670 -0.424 11.069 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.737 -2.161 10.751 1.00 0.00 H new ATOM 1134 N LEU A 73 15.587 1.473 2.810 1.00 0.00 N ATOM 1135 CA LEU A 73 15.741 2.142 1.536 1.00 0.00 C ATOM 1136 C LEU A 73 14.409 2.760 1.100 1.00 0.00 C ATOM 1137 O LEU A 73 14.386 3.549 0.153 1.00 0.00 O ATOM 1138 CB LEU A 73 16.281 1.153 0.491 1.00 0.00 C ATOM 1139 CG LEU A 73 17.695 0.635 0.830 1.00 0.00 C ATOM 1140 CD1 LEU A 73 17.703 -0.469 1.904 1.00 0.00 C ATOM 1141 CD2 LEU A 73 18.417 0.162 -0.435 1.00 0.00 C ATOM 0 H LEU A 73 15.692 0.460 2.757 1.00 0.00 H new ATOM 0 HA LEU A 73 16.462 2.953 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 73 15.599 0.307 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 73 16.301 1.638 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 73 18.234 1.481 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 73 18.729 -0.786 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.267 -0.083 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.119 -1.320 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 73 19.412 -0.199 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 73 17.849 -0.645 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 73 18.505 0.992 -1.136 1.00 0.00 H new ATOM 1153 N CYS A 74 13.301 2.446 1.777 1.00 0.00 N ATOM 1154 CA CYS A 74 11.973 2.877 1.449 1.00 0.00 C ATOM 1155 C CYS A 74 11.552 3.829 2.560 1.00 0.00 C ATOM 1156 O CYS A 74 10.900 4.802 2.233 1.00 0.00 O ATOM 1157 CB CYS A 74 11.029 1.680 1.237 1.00 0.00 C ATOM 1158 SG CYS A 74 9.694 2.173 0.105 1.00 0.00 S ATOM 0 H CYS A 74 13.326 1.854 2.607 1.00 0.00 H new ATOM 0 HA CYS A 74 11.931 3.403 0.495 1.00 0.00 H new ATOM 0 HB2 CYS A 74 11.580 0.835 0.824 1.00 0.00 H new ATOM 0 HB3 CYS A 74 10.613 1.355 2.191 1.00 0.00 H new ATOM 0 HG CYS A 74 9.414 3.430 0.285 1.00 0.00 H new ATOM 1164 N GLU A 75 11.997 3.652 3.818 1.00 0.00 N ATOM 1165 CA GLU A 75 11.808 4.632 4.892 1.00 0.00 C ATOM 1166 C GLU A 75 12.257 6.023 4.449 1.00 0.00 C ATOM 1167 O GLU A 75 11.584 6.996 4.733 1.00 0.00 O ATOM 1168 CB GLU A 75 12.462 4.205 6.214 1.00 0.00 C ATOM 1169 CG GLU A 75 11.699 3.045 6.883 1.00 0.00 C ATOM 1170 CD GLU A 75 11.524 3.250 8.391 1.00 0.00 C ATOM 1171 OE1 GLU A 75 12.438 2.883 9.163 1.00 0.00 O ATOM 1172 OE2 GLU A 75 10.459 3.765 8.809 1.00 0.00 O ATOM 0 H GLU A 75 12.501 2.817 4.115 1.00 0.00 H new ATOM 0 HA GLU A 75 10.738 4.677 5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 75 13.493 3.903 6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.497 5.056 6.894 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.719 2.943 6.417 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.235 2.112 6.706 1.00 0.00 H new ATOM 1179 N GLU A 76 13.301 6.136 3.639 1.00 0.00 N ATOM 1180 CA GLU A 76 13.652 7.427 3.032 1.00 0.00 C ATOM 1181 C GLU A 76 12.543 7.855 2.064 1.00 0.00 C ATOM 1182 O GLU A 76 11.961 8.935 2.139 1.00 0.00 O ATOM 1183 CB GLU A 76 14.985 7.315 2.284 1.00 0.00 C ATOM 1184 CG GLU A 76 16.133 8.011 3.021 1.00 0.00 C ATOM 1185 CD GLU A 76 17.446 7.904 2.245 1.00 0.00 C ATOM 1186 OE1 GLU A 76 17.523 7.097 1.290 1.00 0.00 O ATOM 1187 OE2 GLU A 76 18.395 8.666 2.547 1.00 0.00 O ATOM 0 H GLU A 76 13.917 5.364 3.385 1.00 0.00 H new ATOM 0 HA GLU A 76 13.755 8.175 3.818 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.232 6.263 2.145 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.878 7.751 1.291 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.884 9.061 3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 76 16.256 7.566 4.008 1.00 0.00 H new ATOM 1194 N MET A 77 12.236 6.959 1.142 1.00 0.00 N ATOM 1195 CA MET A 77 11.191 7.028 0.139 1.00 0.00 C ATOM 1196 C MET A 77 9.767 7.205 0.680 1.00 0.00 C ATOM 1197 O MET A 77 8.824 7.101 -0.111 1.00 0.00 O ATOM 1198 CB MET A 77 11.334 5.830 -0.805 1.00 0.00 C ATOM 1199 CG MET A 77 11.255 6.310 -2.248 1.00 0.00 C ATOM 1200 SD MET A 77 12.049 5.173 -3.397 1.00 0.00 S ATOM 1201 CE MET A 77 12.779 6.420 -4.466 1.00 0.00 C ATOM 0 H MET A 77 12.760 6.087 1.071 1.00 0.00 H new ATOM 0 HA MET A 77 11.340 7.954 -0.416 1.00 0.00 H new ATOM 0 HB2 MET A 77 12.285 5.326 -0.629 1.00 0.00 H new ATOM 0 HB3 MET A 77 10.547 5.102 -0.609 1.00 0.00 H new ATOM 0 HG2 MET A 77 10.209 6.435 -2.529 1.00 0.00 H new ATOM 0 HG3 MET A 77 11.726 7.290 -2.328 1.00 0.00 H new ATOM 0 HE1 MET A 77 13.332 5.932 -5.269 1.00 0.00 H new ATOM 0 HE2 MET A 77 11.991 7.040 -4.893 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.457 7.045 -3.885 1.00 0.00 H new ATOM 1211 N LEU A 78 9.562 7.338 1.993 1.00 0.00 N ATOM 1212 CA LEU A 78 8.263 7.544 2.606 1.00 0.00 C ATOM 1213 C LEU A 78 8.354 8.550 3.769 1.00 0.00 C ATOM 1214 O LEU A 78 7.673 9.571 3.768 1.00 0.00 O ATOM 1215 CB LEU A 78 7.654 6.178 2.924 1.00 0.00 C ATOM 1216 CG LEU A 78 8.336 5.399 4.049 1.00 0.00 C ATOM 1217 CD1 LEU A 78 7.547 5.655 5.326 1.00 0.00 C ATOM 1218 CD2 LEU A 78 8.492 3.906 3.706 1.00 0.00 C ATOM 0 H LEU A 78 10.322 7.303 2.672 1.00 0.00 H new ATOM 0 HA LEU A 78 7.562 8.026 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.606 6.319 3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.676 5.570 2.019 1.00 0.00 H new ATOM 0 HG LEU A 78 9.360 5.745 4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.007 5.113 6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.548 6.722 5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.520 5.313 5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.981 3.392 4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.509 3.467 3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.097 3.801 2.805 1.00 0.00 H new ATOM 1230 N ASP A 79 9.244 8.341 4.730 1.00 0.00 N ATOM 1231 CA ASP A 79 9.442 9.232 5.881 1.00 0.00 C ATOM 1232 C ASP A 79 10.102 10.541 5.456 1.00 0.00 C ATOM 1233 O ASP A 79 9.818 11.593 6.005 1.00 0.00 O ATOM 1234 CB ASP A 79 10.292 8.574 6.977 1.00 0.00 C ATOM 1235 CG ASP A 79 10.377 9.436 8.235 1.00 0.00 C ATOM 1236 OD1 ASP A 79 9.371 9.531 8.974 1.00 0.00 O ATOM 1237 OD2 ASP A 79 11.457 10.008 8.497 1.00 0.00 O ATOM 0 H ASP A 79 9.865 7.532 4.737 1.00 0.00 H new ATOM 0 HA ASP A 79 8.451 9.439 6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.866 7.603 7.231 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.296 8.391 6.595 1.00 0.00 H new ATOM 1242 N ASN A 80 10.939 10.547 4.426 1.00 0.00 N ATOM 1243 CA ASN A 80 11.643 11.765 4.015 1.00 0.00 C ATOM 1244 C ASN A 80 10.884 12.523 2.925 1.00 0.00 C ATOM 1245 O ASN A 80 11.368 13.541 2.427 1.00 0.00 O ATOM 1246 CB ASN A 80 13.014 11.356 3.527 1.00 0.00 C ATOM 1247 CG ASN A 80 14.097 12.411 3.686 1.00 0.00 C ATOM 1248 OD1 ASN A 80 14.666 12.558 4.760 1.00 0.00 O ATOM 1249 ND2 ASN A 80 14.485 13.096 2.624 1.00 0.00 N ATOM 0 H ASN A 80 11.150 9.726 3.858 1.00 0.00 H new ATOM 0 HA ASN A 80 11.721 12.445 4.863 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.321 10.459 4.064 1.00 0.00 H new ATOM 0 HB3 ASN A 80 12.942 11.087 2.473 1.00 0.00 H new ATOM 0 HD21 ASN A 80 15.263 13.752 2.696 1.00 0.00 H new ATOM 0 HD22 ASN A 80 14.007 12.969 1.732 1.00 0.00 H new ATOM 1256 N ARG A 81 9.707 12.025 2.513 1.00 0.00 N ATOM 1257 CA ARG A 81 8.721 12.813 1.794 1.00 0.00 C ATOM 1258 C ARG A 81 8.249 13.946 2.698 1.00 0.00 C ATOM 1259 O ARG A 81 8.301 15.115 2.326 1.00 0.00 O ATOM 1260 CB ARG A 81 7.489 11.978 1.423 1.00 0.00 C ATOM 1261 CG ARG A 81 7.496 11.424 0.006 1.00 0.00 C ATOM 1262 CD ARG A 81 8.430 10.225 -0.070 1.00 0.00 C ATOM 1263 NE ARG A 81 8.164 9.464 -1.300 1.00 0.00 N ATOM 1264 CZ ARG A 81 8.297 9.867 -2.570 1.00 0.00 C ATOM 1265 NH1 ARG A 81 8.967 10.973 -2.893 1.00 0.00 N ATOM 1266 NH2 ARG A 81 7.747 9.152 -3.538 1.00 0.00 N ATOM 0 H ARG A 81 9.422 11.059 2.675 1.00 0.00 H new ATOM 0 HA ARG A 81 9.189 13.183 0.882 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.407 11.146 2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.598 12.593 1.553 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.487 11.131 -0.285 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.819 12.194 -0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.467 10.559 -0.055 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.288 9.586 0.802 1.00 0.00 H new ATOM 0 HE ARG A 81 7.836 8.507 -1.169 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.397 11.540 -2.163 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.050 11.252 -3.871 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.228 8.303 -3.313 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.842 9.450 -4.509 1.00 0.00 H new ATOM 1280 N ALA A 82 7.649 13.541 3.817 1.00 0.00 N ATOM 1281 CA ALA A 82 6.742 14.339 4.624 1.00 0.00 C ATOM 1282 C ALA A 82 6.549 13.695 6.002 1.00 0.00 C ATOM 1283 O ALA A 82 5.567 14.014 6.668 1.00 0.00 O ATOM 1284 CB ALA A 82 5.389 14.434 3.894 1.00 0.00 C ATOM 0 H ALA A 82 7.792 12.606 4.198 1.00 0.00 H new ATOM 0 HA ALA A 82 7.159 15.336 4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.696 15.031 4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.532 14.905 2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.979 13.433 3.755 1.00 0.00 H new ATOM 1290 N THR A 83 7.412 12.747 6.398 1.00 0.00 N ATOM 1291 CA THR A 83 7.333 12.041 7.680 1.00 0.00 C ATOM 1292 C THR A 83 5.971 11.359 7.942 1.00 0.00 C ATOM 1293 O THR A 83 5.604 11.114 9.091 1.00 0.00 O ATOM 1294 CB THR A 83 7.923 12.929 8.807 1.00 0.00 C ATOM 1295 OG1 THR A 83 7.411 14.250 8.847 1.00 0.00 O ATOM 1296 CG2 THR A 83 9.431 13.099 8.606 1.00 0.00 C ATOM 0 H THR A 83 8.199 12.446 5.823 1.00 0.00 H new ATOM 0 HA THR A 83 7.975 11.161 7.649 1.00 0.00 H new ATOM 0 HB THR A 83 7.653 12.408 9.726 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.831 14.741 9.584 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.836 13.724 9.402 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.914 12.122 8.630 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.619 13.572 7.642 1.00 0.00 H new ATOM 1304 N LEU A 84 5.246 10.999 6.872 1.00 0.00 N ATOM 1305 CA LEU A 84 3.845 10.540 6.909 1.00 0.00 C ATOM 1306 C LEU A 84 3.549 9.339 6.006 1.00 0.00 C ATOM 1307 O LEU A 84 2.570 8.632 6.243 1.00 0.00 O ATOM 1308 CB LEU A 84 2.940 11.698 6.437 1.00 0.00 C ATOM 1309 CG LEU A 84 1.675 11.983 7.271 1.00 0.00 C ATOM 1310 CD1 LEU A 84 0.665 10.833 7.271 1.00 0.00 C ATOM 1311 CD2 LEU A 84 2.000 12.389 8.715 1.00 0.00 C ATOM 0 H LEU A 84 5.629 11.019 5.927 1.00 0.00 H new ATOM 0 HA LEU A 84 3.655 10.231 7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.540 12.608 6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.631 11.490 5.413 1.00 0.00 H new ATOM 0 HG LEU A 84 1.206 12.829 6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.198 11.107 7.878 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.341 10.633 6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.131 9.939 7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.073 12.578 9.257 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.549 11.585 9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.609 13.293 8.711 1.00 0.00 H new ATOM 1323 N GLN A 85 4.323 9.195 4.932 1.00 0.00 N ATOM 1324 CA GLN A 85 3.961 8.426 3.742 1.00 0.00 C ATOM 1325 C GLN A 85 4.062 6.907 3.951 1.00 0.00 C ATOM 1326 O GLN A 85 4.025 6.202 2.921 1.00 0.00 O ATOM 1327 CB GLN A 85 4.820 8.924 2.553 1.00 0.00 C ATOM 1328 CG GLN A 85 4.074 9.363 1.288 1.00 0.00 C ATOM 1329 CD GLN A 85 3.597 8.228 0.391 1.00 0.00 C ATOM 1330 OE1 GLN A 85 2.648 7.437 0.836 1.00 0.00 O flip ATOM 1331 NE2 GLN A 85 4.103 8.003 -0.708 1.00 0.00 N flip ATOM 0 H GLN A 85 5.247 9.623 4.863 1.00 0.00 H new ATOM 0 HA GLN A 85 2.908 8.597 3.521 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.422 9.764 2.899 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.512 8.128 2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.211 9.959 1.583 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.728 10.014 0.707 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.841 8.611 -1.064 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.784 7.209 -1.263 1.00 0.00 H new TER 1340 GLN A 85