USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 938 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 87 THR OG1 : rot -100:sc= -0.163 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -2 K(o=-2.2,f=-5.4) USER MOD Set 2.1: A 63 SER OG : rot 150:sc= -1.08 USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 29 ASN :FLIP amide:sc= -0.982 F(o=-5.2!,f=-0.98) USER MOD Set 4.2: A 92 TYR OH : rot 30:sc= 0 USER MOD Set 5.1: A 17 HIS : no HD1:sc= -0.0711 X(o=-0.071,f=0.091) USER MOD Set 5.2: A 20 LYS NZ :NH3+ 172:sc= 0 (180deg=0) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.0009) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -14:sc= 0.908 USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= -0.0445 (180deg=-0.31) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -173:sc= -0.105 (180deg=-0.197) USER MOD Single : A 10 ASN : amide:sc= -5.48! C(o=-5.5!,f=-10!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.654 USER MOD Single : A 22 THR OG1 : rot 52:sc= 0.163 USER MOD Single : A 25 HIS : no HE2:sc= -2.92 K(o=-2.9,f=-8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -25:sc= 0.81 USER MOD Single : A 32 THR OG1 : rot 70:sc= 0.337 USER MOD Single : A 35 MET CE :methyl 154:sc= -1.76 (180deg=-3.49!) USER MOD Single : A 37 THR OG1 : rot 110:sc= 0.0616 USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= 0.131 (180deg=0.0202) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot -170:sc= -0.535 USER MOD Single : A 57 LYS NZ :NH3+ -148:sc= -1.98! (180deg=-3.9!) USER MOD Single : A 58 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 59 THR OG1 : rot -178:sc= -1.7! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 79 LYS NZ :NH3+ 140:sc= 0.256 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -165:sc= -0.0499 (180deg=-0.275) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 86 HIS : no HE2:sc= -8.22! C(o=-8.2!,f=-15!) USER MOD Single : A 93 THR OG1 : rot -110:sc= -3.29 USER MOD Single : A 103 ASN : amide:sc= -7.41! C(o=-7.4!,f=-8.9!) USER MOD Single : A 106 TYR OH : rot 30:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.8) USER MOD Single : A 113 LYS NZ :NH3+ 169:sc= -0.0149 (180deg=-0.193) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -15.652 -17.964 21.907 1.00 0.00 N ATOM 2 CA GLY A -2 -14.346 -17.420 21.443 1.00 0.00 C ATOM 3 C GLY A -2 -14.282 -17.275 19.935 1.00 0.00 C ATOM 4 O GLY A -2 -13.423 -16.566 19.409 1.00 0.00 O ATOM 0 H1 GLY A -2 -15.691 -17.933 22.946 1.00 0.00 H new ATOM 0 H2 GLY A -2 -16.426 -17.391 21.514 1.00 0.00 H new ATOM 0 H3 GLY A -2 -15.752 -18.948 21.586 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -14.175 -16.448 21.906 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -13.543 -18.077 21.776 1.00 0.00 H new ATOM 10 N SER A -1 -15.193 -17.947 19.238 1.00 0.00 N ATOM 11 CA SER A -1 -15.237 -17.890 17.781 1.00 0.00 C ATOM 12 C SER A -1 -16.230 -16.833 17.309 1.00 0.00 C ATOM 13 O SER A -1 -17.421 -16.908 17.609 1.00 0.00 O ATOM 14 CB SER A -1 -15.618 -19.257 17.208 1.00 0.00 C ATOM 15 OG SER A -1 -14.678 -20.248 17.585 1.00 0.00 O ATOM 0 H SER A -1 -15.911 -18.537 19.659 1.00 0.00 H new ATOM 0 HA SER A -1 -14.245 -17.617 17.422 1.00 0.00 H new ATOM 0 HB2 SER A -1 -16.610 -19.539 17.561 1.00 0.00 H new ATOM 0 HB3 SER A -1 -15.672 -19.197 16.121 1.00 0.00 H new ATOM 0 HG SER A -1 -14.945 -21.112 17.208 1.00 0.00 H new ATOM 21 N HIS A 0 -15.731 -15.850 16.567 1.00 0.00 N ATOM 22 CA HIS A 0 -16.574 -14.777 16.051 1.00 0.00 C ATOM 23 C HIS A 0 -17.298 -15.217 14.782 1.00 0.00 C ATOM 24 O HIS A 0 -18.524 -15.322 14.760 1.00 0.00 O ATOM 25 CB HIS A 0 -15.734 -13.531 15.767 1.00 0.00 C ATOM 26 CG HIS A 0 -15.020 -13.002 16.972 1.00 0.00 C ATOM 27 ND1 HIS A 0 -13.684 -13.239 17.221 1.00 0.00 N ATOM 28 CD2 HIS A 0 -15.463 -12.242 18.002 1.00 0.00 C ATOM 29 CE1 HIS A 0 -13.337 -12.648 18.351 1.00 0.00 C ATOM 30 NE2 HIS A 0 -14.398 -12.036 18.844 1.00 0.00 N ATOM 0 H HIS A 0 -14.747 -15.774 16.309 1.00 0.00 H new ATOM 0 HA HIS A 0 -17.320 -14.538 16.809 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -15.001 -13.765 14.995 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -16.381 -12.750 15.367 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -16.467 -11.868 18.136 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -12.353 -12.663 18.796 1.00 0.00 H new ATOM 0 HE2 HIS A 0 -14.423 -11.497 19.710 1.00 0.00 H new ATOM 39 N MET A 1 -16.529 -15.471 13.728 1.00 0.00 N ATOM 40 CA MET A 1 -17.094 -15.901 12.454 1.00 0.00 C ATOM 41 C MET A 1 -16.331 -17.102 11.901 1.00 0.00 C ATOM 42 O MET A 1 -15.570 -17.749 12.620 1.00 0.00 O ATOM 43 CB MET A 1 -17.067 -14.750 11.446 1.00 0.00 C ATOM 44 CG MET A 1 -17.883 -13.543 11.880 1.00 0.00 C ATOM 45 SD MET A 1 -19.628 -13.932 12.114 1.00 0.00 S ATOM 46 CE MET A 1 -20.267 -12.334 12.608 1.00 0.00 C ATOM 0 H MET A 1 -15.513 -15.386 13.731 1.00 0.00 H new ATOM 0 HA MET A 1 -18.129 -16.199 12.623 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.034 -14.442 11.287 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.444 -15.108 10.488 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.475 -13.149 12.811 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.787 -12.756 11.132 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.339 -12.411 12.790 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.767 -12.008 13.520 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.085 -11.608 11.815 1.00 0.00 H new ATOM 56 N ILE A 2 -16.540 -17.395 10.621 1.00 0.00 N ATOM 57 CA ILE A 2 -15.876 -18.521 9.975 1.00 0.00 C ATOM 58 C ILE A 2 -14.478 -18.141 9.493 1.00 0.00 C ATOM 59 O ILE A 2 -13.576 -18.979 9.455 1.00 0.00 O ATOM 60 CB ILE A 2 -16.699 -19.046 8.780 1.00 0.00 C ATOM 61 CG1 ILE A 2 -16.017 -20.263 8.148 1.00 0.00 C ATOM 62 CG2 ILE A 2 -16.896 -17.946 7.747 1.00 0.00 C ATOM 63 CD1 ILE A 2 -15.933 -21.461 9.068 1.00 0.00 C ATOM 0 H ILE A 2 -17.164 -16.868 10.011 1.00 0.00 H new ATOM 0 HA ILE A 2 -15.791 -19.309 10.724 1.00 0.00 H new ATOM 0 HB ILE A 2 -17.678 -19.356 9.146 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -16.561 -20.546 7.247 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -15.010 -19.983 7.838 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -17.478 -18.332 6.911 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -17.426 -17.110 8.203 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -15.925 -17.607 7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -15.438 -22.283 8.551 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -15.363 -21.197 9.958 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -16.938 -21.768 9.359 1.00 0.00 H new ATOM 75 N ALA A 3 -14.300 -16.874 9.129 1.00 0.00 N ATOM 76 CA ALA A 3 -13.010 -16.392 8.647 1.00 0.00 C ATOM 77 C ALA A 3 -11.962 -16.359 9.765 1.00 0.00 C ATOM 78 O ALA A 3 -10.862 -16.884 9.595 1.00 0.00 O ATOM 79 CB ALA A 3 -13.156 -15.020 8.003 1.00 0.00 C ATOM 0 H ALA A 3 -15.032 -16.164 9.159 1.00 0.00 H new ATOM 0 HA ALA A 3 -12.658 -17.095 7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -12.183 -14.678 7.650 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.845 -15.085 7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -13.545 -14.313 8.736 1.00 0.00 H new ATOM 85 N PRO A 4 -12.278 -15.743 10.925 1.00 0.00 N ATOM 86 CA PRO A 4 -11.337 -15.661 12.049 1.00 0.00 C ATOM 87 C PRO A 4 -10.970 -17.037 12.596 1.00 0.00 C ATOM 88 O PRO A 4 -11.658 -18.024 12.332 1.00 0.00 O ATOM 89 CB PRO A 4 -12.095 -14.853 13.110 1.00 0.00 C ATOM 90 CG PRO A 4 -13.190 -14.165 12.369 1.00 0.00 C ATOM 91 CD PRO A 4 -13.556 -15.081 11.239 1.00 0.00 C ATOM 0 HA PRO A 4 -10.393 -15.206 11.749 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.494 -15.503 13.889 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.439 -14.134 13.600 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -14.047 -13.982 13.018 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.861 -13.195 11.996 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -14.322 -15.799 11.533 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -13.947 -14.531 10.383 1.00 0.00 H new ATOM 99 N LEU A 5 -9.883 -17.093 13.358 1.00 0.00 N ATOM 100 CA LEU A 5 -9.425 -18.347 13.945 1.00 0.00 C ATOM 101 C LEU A 5 -8.629 -18.090 15.221 1.00 0.00 C ATOM 102 O LEU A 5 -8.739 -18.836 16.194 1.00 0.00 O ATOM 103 CB LEU A 5 -8.573 -19.134 12.943 1.00 0.00 C ATOM 104 CG LEU A 5 -7.225 -18.500 12.581 1.00 0.00 C ATOM 105 CD1 LEU A 5 -6.350 -19.503 11.842 1.00 0.00 C ATOM 106 CD2 LEU A 5 -7.423 -17.249 11.740 1.00 0.00 C ATOM 0 H LEU A 5 -9.303 -16.285 13.584 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.304 -18.940 14.198 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.389 -20.128 13.351 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.150 -19.267 12.028 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.724 -18.213 13.505 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.396 -19.039 11.591 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.175 -20.371 12.478 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.851 -19.818 10.927 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.452 -16.817 11.496 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.947 -17.508 10.820 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.012 -16.523 12.301 1.00 0.00 H new ATOM 118 N SER A 6 -7.830 -17.026 15.210 1.00 0.00 N ATOM 119 CA SER A 6 -7.015 -16.668 16.366 1.00 0.00 C ATOM 120 C SER A 6 -6.618 -15.196 16.315 1.00 0.00 C ATOM 121 O SER A 6 -7.154 -14.371 17.055 1.00 0.00 O ATOM 122 CB SER A 6 -5.763 -17.545 16.427 1.00 0.00 C ATOM 123 OG SER A 6 -6.102 -18.913 16.560 1.00 0.00 O ATOM 0 H SER A 6 -7.730 -16.397 14.413 1.00 0.00 H new ATOM 0 HA SER A 6 -7.609 -16.835 17.264 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.170 -17.401 15.524 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.142 -17.238 17.268 1.00 0.00 H new ATOM 0 HG SER A 6 -7.046 -18.993 16.812 1.00 0.00 H new ATOM 129 N VAL A 7 -5.674 -14.875 15.434 1.00 0.00 N ATOM 130 CA VAL A 7 -5.200 -13.504 15.282 1.00 0.00 C ATOM 131 C VAL A 7 -4.966 -13.166 13.813 1.00 0.00 C ATOM 132 O VAL A 7 -5.337 -13.932 12.924 1.00 0.00 O ATOM 133 CB VAL A 7 -3.895 -13.269 16.068 1.00 0.00 C ATOM 134 CG1 VAL A 7 -4.120 -13.482 17.557 1.00 0.00 C ATOM 135 CG2 VAL A 7 -2.790 -14.180 15.553 1.00 0.00 C ATOM 0 H VAL A 7 -5.222 -15.547 14.814 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.977 -12.853 15.683 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.584 -12.235 15.916 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.187 -13.311 18.094 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.877 -12.784 17.914 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.457 -14.504 17.732 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.876 -14.000 16.120 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.092 -15.221 15.672 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.609 -13.973 14.498 1.00 0.00 H new ATOM 145 N LYS A 8 -4.345 -12.015 13.566 1.00 0.00 N ATOM 146 CA LYS A 8 -4.058 -11.572 12.209 1.00 0.00 C ATOM 147 C LYS A 8 -2.654 -10.997 12.139 1.00 0.00 C ATOM 148 O LYS A 8 -2.368 -9.958 12.736 1.00 0.00 O ATOM 149 CB LYS A 8 -5.067 -10.519 11.757 1.00 0.00 C ATOM 150 CG LYS A 8 -6.518 -10.909 11.997 1.00 0.00 C ATOM 151 CD LYS A 8 -6.953 -12.040 11.078 1.00 0.00 C ATOM 152 CE LYS A 8 -8.389 -12.457 11.351 1.00 0.00 C ATOM 153 NZ LYS A 8 -8.576 -12.927 12.750 1.00 0.00 N ATOM 0 H LYS A 8 -4.031 -11.372 14.293 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.133 -12.433 11.544 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.861 -9.585 12.280 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.924 -10.327 10.694 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.646 -11.214 13.036 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.160 -10.042 11.837 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.856 -11.724 10.039 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.292 -12.896 11.214 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.054 -11.615 11.160 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.674 -13.251 10.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.481 -13.433 12.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.798 -13.567 13.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.580 -12.110 13.393 1.00 0.00 H new ATOM 167 N ASP A 9 -1.785 -11.675 11.410 1.00 0.00 N ATOM 168 CA ASP A 9 -0.409 -11.239 11.265 1.00 0.00 C ATOM 169 C ASP A 9 -0.349 -9.842 10.662 1.00 0.00 C ATOM 170 O ASP A 9 -0.827 -9.614 9.551 1.00 0.00 O ATOM 171 CB ASP A 9 0.357 -12.225 10.389 1.00 0.00 C ATOM 172 CG ASP A 9 0.245 -13.652 10.887 1.00 0.00 C ATOM 173 OD1 ASP A 9 1.094 -14.065 11.705 1.00 0.00 O ATOM 174 OD2 ASP A 9 -0.692 -14.358 10.458 1.00 0.00 O ATOM 0 H ASP A 9 -2.010 -12.534 10.907 1.00 0.00 H new ATOM 0 HA ASP A 9 0.052 -11.205 12.252 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.021 -12.169 9.368 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.408 -11.937 10.356 1.00 0.00 H new ATOM 179 N ASN A 10 0.240 -8.910 11.401 1.00 0.00 N ATOM 180 CA ASN A 10 0.350 -7.536 10.949 1.00 0.00 C ATOM 181 C ASN A 10 1.775 -7.012 11.061 1.00 0.00 C ATOM 182 O ASN A 10 2.583 -7.170 10.146 1.00 0.00 O ATOM 183 CB ASN A 10 -0.597 -6.646 11.753 1.00 0.00 C ATOM 184 CG ASN A 10 -0.690 -7.024 13.216 1.00 0.00 C ATOM 185 OD1 ASN A 10 -0.552 -8.188 13.591 1.00 0.00 O ATOM 186 ND2 ASN A 10 -0.932 -6.028 14.053 1.00 0.00 N ATOM 0 H ASN A 10 0.649 -9.086 12.319 1.00 0.00 H new ATOM 0 HA ASN A 10 0.072 -7.512 9.895 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.264 -5.611 11.674 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.592 -6.695 11.310 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.011 -6.210 15.053 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.039 -5.078 13.698 1.00 0.00 H new ATOM 193 N ASP A 11 2.065 -6.383 12.190 1.00 0.00 N ATOM 194 CA ASP A 11 3.370 -5.811 12.452 1.00 0.00 C ATOM 195 C ASP A 11 4.486 -6.816 12.197 1.00 0.00 C ATOM 196 O ASP A 11 4.799 -7.650 13.046 1.00 0.00 O ATOM 197 CB ASP A 11 3.431 -5.305 13.890 1.00 0.00 C ATOM 198 CG ASP A 11 2.884 -6.312 14.884 1.00 0.00 C ATOM 199 OD1 ASP A 11 1.667 -6.271 15.160 1.00 0.00 O ATOM 200 OD2 ASP A 11 3.672 -7.142 15.385 1.00 0.00 O ATOM 0 H ASP A 11 1.397 -6.256 12.951 1.00 0.00 H new ATOM 0 HA ASP A 11 3.518 -4.977 11.766 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.464 -5.071 14.146 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.865 -4.377 13.969 1.00 0.00 H new ATOM 205 N LYS A 12 5.073 -6.730 11.011 1.00 0.00 N ATOM 206 CA LYS A 12 6.161 -7.610 10.623 1.00 0.00 C ATOM 207 C LYS A 12 7.490 -6.859 10.673 1.00 0.00 C ATOM 208 O LYS A 12 7.885 -6.200 9.712 1.00 0.00 O ATOM 209 CB LYS A 12 5.912 -8.168 9.221 1.00 0.00 C ATOM 210 CG LYS A 12 7.086 -8.947 8.656 1.00 0.00 C ATOM 211 CD LYS A 12 7.072 -10.406 9.095 1.00 0.00 C ATOM 212 CE LYS A 12 7.540 -10.573 10.533 1.00 0.00 C ATOM 213 NZ LYS A 12 7.612 -12.007 10.930 1.00 0.00 N ATOM 0 H LYS A 12 4.809 -6.052 10.296 1.00 0.00 H new ATOM 0 HA LYS A 12 6.209 -8.443 11.324 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.036 -8.817 9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.677 -7.343 8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.063 -8.896 7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.018 -8.481 8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.063 -10.805 8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.714 -10.989 8.435 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.521 -10.114 10.651 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.859 -10.045 11.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.935 -12.078 11.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.670 -12.439 10.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.281 -12.506 10.310 1.00 0.00 H new ATOM 227 N TRP A 13 8.167 -6.964 11.810 1.00 0.00 N ATOM 228 CA TRP A 13 9.442 -6.300 12.027 1.00 0.00 C ATOM 229 C TRP A 13 10.585 -7.139 11.469 1.00 0.00 C ATOM 230 O TRP A 13 10.958 -8.155 12.055 1.00 0.00 O ATOM 231 CB TRP A 13 9.620 -6.053 13.529 1.00 0.00 C ATOM 232 CG TRP A 13 8.324 -5.705 14.213 1.00 0.00 C ATOM 233 CD1 TRP A 13 7.319 -6.569 14.545 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.888 -4.405 14.637 1.00 0.00 C ATOM 235 NE1 TRP A 13 6.279 -5.887 15.126 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.602 -4.559 15.198 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.452 -3.128 14.595 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.873 -3.484 15.706 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.730 -2.063 15.105 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.452 -2.246 15.651 1.00 0.00 C ATOM 0 H TRP A 13 7.845 -7.513 12.607 1.00 0.00 H new ATOM 0 HA TRP A 13 9.454 -5.345 11.502 1.00 0.00 H new ATOM 0 HB2 TRP A 13 10.044 -6.943 13.993 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.335 -5.244 13.679 1.00 0.00 H new ATOM 0 HD1 TRP A 13 7.340 -7.635 14.375 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.406 -6.303 15.452 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.434 -2.974 14.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.888 -3.624 16.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.159 -1.072 15.082 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.914 -1.392 16.036 1.00 0.00 H new ATOM 251 N VAL A 14 11.145 -6.710 10.332 1.00 0.00 N ATOM 252 CA VAL A 14 12.232 -7.464 9.702 1.00 0.00 C ATOM 253 C VAL A 14 13.221 -6.559 8.984 1.00 0.00 C ATOM 254 O VAL A 14 13.140 -5.336 9.064 1.00 0.00 O ATOM 255 CB VAL A 14 11.689 -8.495 8.691 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.867 -9.563 9.394 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.871 -7.806 7.610 1.00 0.00 C ATOM 0 H VAL A 14 10.870 -5.861 9.838 1.00 0.00 H new ATOM 0 HA VAL A 14 12.748 -7.977 10.513 1.00 0.00 H new ATOM 0 HB VAL A 14 12.539 -8.985 8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.495 -10.278 8.660 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.491 -10.082 10.122 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.025 -9.096 9.905 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.497 -8.550 6.907 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.030 -7.284 8.067 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.498 -7.089 7.080 1.00 0.00 H new ATOM 267 N ASP A 15 14.159 -7.194 8.289 1.00 0.00 N ATOM 268 CA ASP A 15 15.192 -6.493 7.538 1.00 0.00 C ATOM 269 C ASP A 15 14.934 -6.611 6.037 1.00 0.00 C ATOM 270 O ASP A 15 13.963 -7.245 5.621 1.00 0.00 O ATOM 271 CB ASP A 15 16.557 -7.085 7.884 1.00 0.00 C ATOM 272 CG ASP A 15 17.187 -6.430 9.096 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.753 -6.733 10.228 1.00 0.00 O ATOM 274 OD2 ASP A 15 18.115 -5.614 8.914 1.00 0.00 O ATOM 0 H ASP A 15 14.224 -8.210 8.231 1.00 0.00 H new ATOM 0 HA ASP A 15 15.175 -5.437 7.807 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.449 -8.154 8.069 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.224 -6.975 7.029 1.00 0.00 H new ATOM 279 N THR A 16 15.804 -6.007 5.227 1.00 0.00 N ATOM 280 CA THR A 16 15.645 -6.058 3.774 1.00 0.00 C ATOM 281 C THR A 16 16.790 -5.353 3.051 1.00 0.00 C ATOM 282 O THR A 16 17.746 -4.892 3.674 1.00 0.00 O ATOM 283 CB THR A 16 14.315 -5.410 3.340 1.00 0.00 C ATOM 284 OG1 THR A 16 13.925 -5.903 2.053 1.00 0.00 O ATOM 285 CG2 THR A 16 14.434 -3.894 3.288 1.00 0.00 C ATOM 0 H THR A 16 16.618 -5.482 5.548 1.00 0.00 H new ATOM 0 HA THR A 16 15.650 -7.113 3.500 1.00 0.00 H new ATOM 0 HB THR A 16 13.557 -5.673 4.078 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.079 -5.487 1.786 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.481 -3.465 2.979 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.699 -3.516 4.275 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.207 -3.614 2.572 1.00 0.00 H new ATOM 293 N HIS A 17 16.677 -5.277 1.726 1.00 0.00 N ATOM 294 CA HIS A 17 17.681 -4.617 0.900 1.00 0.00 C ATOM 295 C HIS A 17 17.054 -3.429 0.175 1.00 0.00 C ATOM 296 O HIS A 17 15.944 -3.020 0.501 1.00 0.00 O ATOM 297 CB HIS A 17 18.278 -5.598 -0.109 1.00 0.00 C ATOM 298 CG HIS A 17 18.860 -6.826 0.521 1.00 0.00 C ATOM 299 ND1 HIS A 17 20.214 -7.007 0.707 1.00 0.00 N ATOM 300 CD2 HIS A 17 18.263 -7.939 1.010 1.00 0.00 C ATOM 301 CE1 HIS A 17 20.425 -8.179 1.280 1.00 0.00 C ATOM 302 NE2 HIS A 17 19.258 -8.763 1.475 1.00 0.00 N ATOM 0 H HIS A 17 15.895 -5.668 1.201 1.00 0.00 H new ATOM 0 HA HIS A 17 18.484 -4.259 1.544 1.00 0.00 H new ATOM 0 HB2 HIS A 17 17.504 -5.895 -0.816 1.00 0.00 H new ATOM 0 HB3 HIS A 17 19.055 -5.090 -0.681 1.00 0.00 H new ATOM 0 HD2 HIS A 17 17.202 -8.141 1.030 1.00 0.00 H new ATOM 0 HE1 HIS A 17 21.389 -8.589 1.544 1.00 0.00 H new ATOM 0 HE2 HIS A 17 19.118 -9.679 1.902 1.00 0.00 H new ATOM 311 N VAL A 18 17.756 -2.884 -0.811 1.00 0.00 N ATOM 312 CA VAL A 18 17.247 -1.734 -1.554 1.00 0.00 C ATOM 313 C VAL A 18 16.359 -2.157 -2.722 1.00 0.00 C ATOM 314 O VAL A 18 16.684 -3.080 -3.467 1.00 0.00 O ATOM 315 CB VAL A 18 18.392 -0.854 -2.087 1.00 0.00 C ATOM 316 CG1 VAL A 18 17.841 0.411 -2.731 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.368 -0.512 -0.972 1.00 0.00 C ATOM 0 H VAL A 18 18.672 -3.215 -1.114 1.00 0.00 H new ATOM 0 HA VAL A 18 16.649 -1.157 -0.849 1.00 0.00 H new ATOM 0 HB VAL A 18 18.931 -1.416 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 18 18.666 1.020 -3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.187 0.142 -3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.275 0.978 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.170 0.110 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 18 18.845 0.029 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.790 -1.430 -0.563 1.00 0.00 H new ATOM 327 N GLY A 19 15.235 -1.460 -2.864 1.00 0.00 N ATOM 328 CA GLY A 19 14.297 -1.740 -3.938 1.00 0.00 C ATOM 329 C GLY A 19 13.685 -3.122 -3.859 1.00 0.00 C ATOM 330 O GLY A 19 13.059 -3.573 -4.818 1.00 0.00 O ATOM 0 H GLY A 19 14.955 -0.698 -2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.500 -0.997 -3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.809 -1.632 -4.894 1.00 0.00 H new ATOM 334 N LYS A 20 13.876 -3.806 -2.734 1.00 0.00 N ATOM 335 CA LYS A 20 13.309 -5.133 -2.554 1.00 0.00 C ATOM 336 C LYS A 20 11.791 -5.066 -2.669 1.00 0.00 C ATOM 337 O LYS A 20 11.084 -4.968 -1.666 1.00 0.00 O ATOM 338 CB LYS A 20 13.711 -5.703 -1.193 1.00 0.00 C ATOM 339 CG LYS A 20 13.976 -7.192 -1.215 1.00 0.00 C ATOM 340 CD LYS A 20 15.358 -7.465 -1.757 1.00 0.00 C ATOM 341 CE LYS A 20 15.840 -8.861 -1.399 1.00 0.00 C ATOM 342 NZ LYS A 20 17.205 -9.130 -1.927 1.00 0.00 N ATOM 0 H LYS A 20 14.416 -3.463 -1.940 1.00 0.00 H new ATOM 0 HA LYS A 20 13.696 -5.791 -3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.606 -5.188 -0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.920 -5.494 -0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.884 -7.600 -0.209 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.230 -7.693 -1.831 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.353 -7.349 -2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.056 -6.727 -1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.841 -8.978 -0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.144 -9.599 -1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.551 -10.035 -1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.172 -9.178 -2.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.847 -8.365 -1.636 1.00 0.00 H new ATOM 356 N THR A 21 11.300 -5.107 -3.903 1.00 0.00 N ATOM 357 CA THR A 21 9.869 -5.030 -4.164 1.00 0.00 C ATOM 358 C THR A 21 9.109 -6.110 -3.409 1.00 0.00 C ATOM 359 O THR A 21 9.022 -7.253 -3.857 1.00 0.00 O ATOM 360 CB THR A 21 9.559 -5.156 -5.665 1.00 0.00 C ATOM 361 OG1 THR A 21 10.507 -4.402 -6.430 1.00 0.00 O ATOM 362 CG2 THR A 21 8.152 -4.660 -5.965 1.00 0.00 C ATOM 0 H THR A 21 11.876 -5.193 -4.741 1.00 0.00 H new ATOM 0 HA THR A 21 9.543 -4.050 -3.815 1.00 0.00 H new ATOM 0 HB THR A 21 9.628 -6.208 -5.941 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.302 -4.490 -7.384 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.952 -4.757 -7.032 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.430 -5.254 -5.405 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.065 -3.613 -5.674 1.00 0.00 H new ATOM 370 N THR A 22 8.565 -5.739 -2.257 1.00 0.00 N ATOM 371 CA THR A 22 7.804 -6.669 -1.441 1.00 0.00 C ATOM 372 C THR A 22 6.319 -6.556 -1.748 1.00 0.00 C ATOM 373 O THR A 22 5.634 -5.654 -1.263 1.00 0.00 O ATOM 374 CB THR A 22 8.047 -6.432 0.064 1.00 0.00 C ATOM 375 OG1 THR A 22 9.419 -6.690 0.383 1.00 0.00 O ATOM 376 CG2 THR A 22 7.150 -7.323 0.913 1.00 0.00 C ATOM 0 H THR A 22 8.638 -4.799 -1.868 1.00 0.00 H new ATOM 0 HA THR A 22 8.146 -7.675 -1.686 1.00 0.00 H new ATOM 0 HB THR A 22 7.807 -5.392 0.285 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.997 -6.182 -0.224 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.344 -7.134 1.969 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.105 -7.105 0.691 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.358 -8.369 0.688 1.00 0.00 H new ATOM 384 N GLU A 23 5.842 -7.472 -2.582 1.00 0.00 N ATOM 385 CA GLU A 23 4.451 -7.512 -2.974 1.00 0.00 C ATOM 386 C GLU A 23 3.595 -8.067 -1.850 1.00 0.00 C ATOM 387 O GLU A 23 3.930 -9.084 -1.244 1.00 0.00 O ATOM 388 CB GLU A 23 4.307 -8.374 -4.221 1.00 0.00 C ATOM 389 CG GLU A 23 2.915 -8.349 -4.811 1.00 0.00 C ATOM 390 CD GLU A 23 2.871 -8.900 -6.223 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.085 -10.119 -6.391 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.621 -8.113 -7.160 1.00 0.00 O ATOM 0 H GLU A 23 6.414 -8.205 -3.002 1.00 0.00 H new ATOM 0 HA GLU A 23 4.111 -6.499 -3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.019 -8.033 -4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.571 -9.403 -3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.245 -8.930 -4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.543 -7.324 -4.813 1.00 0.00 H new ATOM 399 N ILE A 24 2.487 -7.393 -1.574 1.00 0.00 N ATOM 400 CA ILE A 24 1.597 -7.816 -0.508 1.00 0.00 C ATOM 401 C ILE A 24 0.139 -7.806 -0.936 1.00 0.00 C ATOM 402 O ILE A 24 -0.495 -6.754 -0.988 1.00 0.00 O ATOM 403 CB ILE A 24 1.746 -6.905 0.715 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.222 -6.750 1.087 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.943 -7.456 1.886 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.467 -5.795 2.234 1.00 0.00 C ATOM 0 H ILE A 24 2.186 -6.555 -2.072 1.00 0.00 H new ATOM 0 HA ILE A 24 1.882 -8.838 -0.259 1.00 0.00 H new ATOM 0 HB ILE A 24 1.353 -5.919 0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.625 -7.728 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.772 -6.402 0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.058 -6.799 2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.110 -7.512 1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.305 -8.452 2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.536 -5.739 2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.095 -4.805 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.946 -6.152 3.122 1.00 0.00 H new ATOM 418 N HIS A 25 -0.380 -8.984 -1.250 1.00 0.00 N ATOM 419 CA HIS A 25 -1.773 -9.123 -1.630 1.00 0.00 C ATOM 420 C HIS A 25 -2.617 -9.312 -0.378 1.00 0.00 C ATOM 421 O HIS A 25 -2.548 -10.352 0.276 1.00 0.00 O ATOM 422 CB HIS A 25 -1.971 -10.319 -2.556 1.00 0.00 C ATOM 423 CG HIS A 25 -0.838 -10.558 -3.502 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.094 -11.718 -3.505 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.335 -9.788 -4.494 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.817 -11.651 -4.458 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.691 -10.491 -5.075 1.00 0.00 N ATOM 0 H HIS A 25 0.146 -9.858 -1.248 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.079 -8.221 -2.160 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.118 -11.213 -1.950 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.885 -10.171 -3.132 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.227 -12.505 -2.870 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.677 -8.803 -4.776 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.542 -12.416 -4.693 1.00 0.00 H new ATOM 436 N LEU A 26 -3.410 -8.307 -0.050 1.00 0.00 N ATOM 437 CA LEU A 26 -4.253 -8.361 1.134 1.00 0.00 C ATOM 438 C LEU A 26 -5.710 -8.521 0.738 1.00 0.00 C ATOM 439 O LEU A 26 -6.131 -8.031 -0.303 1.00 0.00 O ATOM 440 CB LEU A 26 -4.080 -7.091 1.964 1.00 0.00 C ATOM 441 CG LEU A 26 -2.641 -6.767 2.376 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.552 -5.347 2.912 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.144 -7.759 3.417 1.00 0.00 C ATOM 0 H LEU A 26 -3.489 -7.443 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.953 -9.221 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.476 -6.249 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.687 -7.181 2.865 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.005 -6.848 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.523 -5.131 3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.867 -4.646 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.202 -5.245 3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.120 -7.511 3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.782 -7.711 4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.173 -8.767 3.002 1.00 0.00 H new ATOM 455 N LYS A 27 -6.479 -9.198 1.572 1.00 0.00 N ATOM 456 CA LYS A 27 -7.889 -9.412 1.283 1.00 0.00 C ATOM 457 C LYS A 27 -8.749 -8.420 2.050 1.00 0.00 C ATOM 458 O LYS A 27 -8.311 -7.835 3.042 1.00 0.00 O ATOM 459 CB LYS A 27 -8.300 -10.841 1.625 1.00 0.00 C ATOM 460 CG LYS A 27 -7.286 -11.884 1.180 1.00 0.00 C ATOM 461 CD LYS A 27 -7.807 -13.295 1.393 1.00 0.00 C ATOM 462 CE LYS A 27 -6.785 -14.337 0.966 1.00 0.00 C ATOM 463 NZ LYS A 27 -7.284 -15.725 1.178 1.00 0.00 N ATOM 0 H LYS A 27 -6.156 -9.607 2.449 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.043 -9.254 0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.444 -10.922 2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.261 -11.057 1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.051 -11.737 0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.358 -11.750 1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.056 -13.437 2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.728 -13.433 0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.541 -14.196 -0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.863 -14.193 1.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.558 -16.405 0.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.493 -15.869 2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.150 -15.871 0.621 1.00 0.00 H new ATOM 477 N GLY A 28 -9.977 -8.243 1.587 1.00 0.00 N ATOM 478 CA GLY A 28 -10.883 -7.309 2.226 1.00 0.00 C ATOM 479 C GLY A 28 -12.217 -7.220 1.513 1.00 0.00 C ATOM 480 O GLY A 28 -12.854 -8.239 1.247 1.00 0.00 O ATOM 0 H GLY A 28 -10.364 -8.730 0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.046 -7.614 3.260 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.422 -6.322 2.254 1.00 0.00 H new ATOM 484 N ASN A 29 -12.638 -5.996 1.200 1.00 0.00 N ATOM 485 CA ASN A 29 -13.906 -5.774 0.511 1.00 0.00 C ATOM 486 C ASN A 29 -14.102 -4.293 0.179 1.00 0.00 C ATOM 487 O ASN A 29 -14.650 -3.539 0.983 1.00 0.00 O ATOM 488 CB ASN A 29 -15.072 -6.277 1.369 1.00 0.00 C ATOM 489 CG ASN A 29 -14.947 -5.862 2.823 1.00 0.00 C ATOM 490 OD1 ASN A 29 -15.540 -4.726 3.170 1.00 0.00 O flip ATOM 491 ND2 ASN A 29 -14.327 -6.559 3.627 1.00 0.00 N flip ATOM 0 H ASN A 29 -12.119 -5.144 1.413 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.883 -6.333 -0.424 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -16.008 -5.893 0.964 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.121 -7.364 1.308 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -13.886 -7.425 3.317 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -14.254 -6.270 4.603 1.00 0.00 H new ATOM 498 N PRO A 30 -13.648 -3.853 -1.010 1.00 0.00 N ATOM 499 CA PRO A 30 -13.787 -2.455 -1.439 1.00 0.00 C ATOM 500 C PRO A 30 -15.246 -2.041 -1.592 1.00 0.00 C ATOM 501 O PRO A 30 -16.136 -2.888 -1.671 1.00 0.00 O ATOM 502 CB PRO A 30 -13.081 -2.418 -2.798 1.00 0.00 C ATOM 503 CG PRO A 30 -13.080 -3.831 -3.265 1.00 0.00 C ATOM 504 CD PRO A 30 -12.959 -4.669 -2.027 1.00 0.00 C ATOM 0 HA PRO A 30 -13.365 -1.765 -0.708 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.607 -1.770 -3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.066 -2.031 -2.706 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.996 -4.064 -3.807 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.250 -4.017 -3.946 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.431 -5.644 -2.151 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.917 -4.851 -1.762 1.00 0.00 H new ATOM 512 N THR A 31 -15.476 -0.732 -1.643 1.00 0.00 N ATOM 513 CA THR A 31 -16.816 -0.182 -1.787 1.00 0.00 C ATOM 514 C THR A 31 -17.816 -0.880 -0.868 1.00 0.00 C ATOM 515 O THR A 31 -19.010 -0.940 -1.166 1.00 0.00 O ATOM 516 CB THR A 31 -17.301 -0.295 -3.240 1.00 0.00 C ATOM 517 OG1 THR A 31 -17.682 -1.646 -3.531 1.00 0.00 O ATOM 518 CG2 THR A 31 -16.215 0.148 -4.208 1.00 0.00 C ATOM 0 H THR A 31 -14.741 -0.027 -1.586 1.00 0.00 H new ATOM 0 HA THR A 31 -16.758 0.869 -1.503 1.00 0.00 H new ATOM 0 HB THR A 31 -18.165 0.358 -3.360 1.00 0.00 H new ATOM 0 HG1 THR A 31 -17.202 -2.257 -2.933 1.00 0.00 H new ATOM 0 HG21 THR A 31 -16.581 0.059 -5.231 1.00 0.00 H new ATOM 0 HG22 THR A 31 -15.949 1.186 -4.006 1.00 0.00 H new ATOM 0 HG23 THR A 31 -15.335 -0.483 -4.082 1.00 0.00 H new ATOM 526 N THR A 32 -17.326 -1.397 0.255 1.00 0.00 N ATOM 527 CA THR A 32 -18.179 -2.089 1.212 1.00 0.00 C ATOM 528 C THR A 32 -17.883 -1.643 2.641 1.00 0.00 C ATOM 529 O THR A 32 -18.673 -0.921 3.251 1.00 0.00 O ATOM 530 CB THR A 32 -18.003 -3.617 1.113 1.00 0.00 C ATOM 531 OG1 THR A 32 -18.455 -4.080 -0.164 1.00 0.00 O ATOM 532 CG2 THR A 32 -18.774 -4.326 2.217 1.00 0.00 C ATOM 0 H THR A 32 -16.343 -1.349 0.523 1.00 0.00 H new ATOM 0 HA THR A 32 -19.209 -1.831 0.964 1.00 0.00 H new ATOM 0 HB THR A 32 -16.944 -3.846 1.229 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.832 -3.782 -0.859 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.634 -5.403 2.125 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.407 -3.994 3.188 1.00 0.00 H new ATOM 0 HG23 THR A 32 -19.834 -4.090 2.130 1.00 0.00 H new ATOM 540 N GLY A 33 -16.742 -2.076 3.169 1.00 0.00 N ATOM 541 CA GLY A 33 -16.369 -1.717 4.523 1.00 0.00 C ATOM 542 C GLY A 33 -15.223 -0.727 4.574 1.00 0.00 C ATOM 543 O GLY A 33 -15.370 0.426 4.166 1.00 0.00 O ATOM 0 H GLY A 33 -16.070 -2.669 2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.234 -1.291 5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.089 -2.618 5.069 1.00 0.00 H new ATOM 547 N TYR A 34 -14.079 -1.178 5.077 1.00 0.00 N ATOM 548 CA TYR A 34 -12.902 -0.325 5.190 1.00 0.00 C ATOM 549 C TYR A 34 -11.967 -0.526 3.997 1.00 0.00 C ATOM 550 O TYR A 34 -12.345 -1.125 2.990 1.00 0.00 O ATOM 551 CB TYR A 34 -12.150 -0.619 6.495 1.00 0.00 C ATOM 552 CG TYR A 34 -12.948 -0.348 7.757 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.202 -0.919 7.954 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.439 0.472 8.760 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.923 -0.677 9.108 1.00 0.00 C ATOM 556 CE2 TYR A 34 -13.156 0.716 9.917 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.396 0.140 10.085 1.00 0.00 C ATOM 558 OH TYR A 34 -15.113 0.381 11.235 1.00 0.00 O ATOM 0 H TYR A 34 -13.942 -2.131 5.413 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.238 0.712 5.198 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.841 -1.664 6.494 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.241 -0.018 6.519 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.618 -1.562 7.193 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.467 0.926 8.632 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.896 -1.126 9.244 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.746 1.355 10.685 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.600 0.976 11.822 1.00 0.00 H new ATOM 568 N MET A 35 -10.747 -0.018 4.125 1.00 0.00 N ATOM 569 CA MET A 35 -9.745 -0.122 3.086 1.00 0.00 C ATOM 570 C MET A 35 -8.398 -0.480 3.691 1.00 0.00 C ATOM 571 O MET A 35 -8.132 -0.186 4.853 1.00 0.00 O ATOM 572 CB MET A 35 -9.620 1.211 2.346 1.00 0.00 C ATOM 573 CG MET A 35 -8.224 1.471 1.806 1.00 0.00 C ATOM 574 SD MET A 35 -8.006 3.152 1.189 1.00 0.00 S ATOM 575 CE MET A 35 -9.079 3.133 -0.244 1.00 0.00 C ATOM 0 H MET A 35 -10.430 0.478 4.958 1.00 0.00 H new ATOM 0 HA MET A 35 -10.049 -0.902 2.389 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.330 1.228 1.520 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.897 2.021 3.021 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.495 1.282 2.594 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.014 0.765 1.002 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.419 4.146 -0.457 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.532 2.746 -1.103 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.940 2.495 -0.045 1.00 0.00 H new ATOM 585 N TRP A 36 -7.550 -1.098 2.891 1.00 0.00 N ATOM 586 CA TRP A 36 -6.222 -1.469 3.334 1.00 0.00 C ATOM 587 C TRP A 36 -5.179 -0.649 2.590 1.00 0.00 C ATOM 588 O TRP A 36 -4.819 -0.969 1.457 1.00 0.00 O ATOM 589 CB TRP A 36 -5.979 -2.952 3.101 1.00 0.00 C ATOM 590 CG TRP A 36 -6.135 -3.780 4.335 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.061 -4.759 4.562 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.343 -3.694 5.519 1.00 0.00 C ATOM 593 NE1 TRP A 36 -6.890 -5.285 5.820 1.00 0.00 N ATOM 594 CE2 TRP A 36 -5.841 -4.647 6.426 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.259 -2.903 5.897 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.290 -4.827 7.688 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.714 -3.082 7.150 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.230 -4.037 8.033 1.00 0.00 C ATOM 0 H TRP A 36 -7.760 -1.354 1.926 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.141 -1.266 4.402 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.673 -3.311 2.341 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.973 -3.090 2.705 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.816 -5.073 3.857 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.452 -6.029 6.234 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.854 -2.164 5.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.685 -5.564 8.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.875 -2.475 7.456 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.781 -4.152 9.008 1.00 0.00 H new ATOM 609 N THR A 37 -4.702 0.412 3.227 1.00 0.00 N ATOM 610 CA THR A 37 -3.712 1.284 2.602 1.00 0.00 C ATOM 611 C THR A 37 -2.689 1.775 3.634 1.00 0.00 C ATOM 612 O THR A 37 -2.613 1.232 4.736 1.00 0.00 O ATOM 613 CB THR A 37 -4.399 2.484 1.921 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.445 3.244 1.173 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.067 3.374 2.952 1.00 0.00 C ATOM 0 H THR A 37 -4.980 0.690 4.168 1.00 0.00 H new ATOM 0 HA THR A 37 -3.185 0.706 1.842 1.00 0.00 H new ATOM 0 HB THR A 37 -5.161 2.100 1.243 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.614 3.128 0.215 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.546 4.215 2.451 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.817 2.801 3.496 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.318 3.747 3.651 1.00 0.00 H new ATOM 623 N ARG A 38 -1.902 2.799 3.285 1.00 0.00 N ATOM 624 CA ARG A 38 -0.897 3.331 4.203 1.00 0.00 C ATOM 625 C ARG A 38 -1.494 4.422 5.092 1.00 0.00 C ATOM 626 O ARG A 38 -2.493 5.047 4.737 1.00 0.00 O ATOM 627 CB ARG A 38 0.311 3.870 3.429 1.00 0.00 C ATOM 628 CG ARG A 38 1.394 2.844 3.192 1.00 0.00 C ATOM 629 CD ARG A 38 2.420 3.327 2.183 1.00 0.00 C ATOM 630 NE ARG A 38 2.771 4.734 2.345 1.00 0.00 N ATOM 631 CZ ARG A 38 4.005 5.151 2.625 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.972 4.270 2.839 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.275 6.447 2.693 1.00 0.00 N ATOM 0 H ARG A 38 -1.943 3.270 2.381 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.560 2.516 4.844 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.028 4.254 2.467 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.735 4.711 3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.891 2.617 4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.944 1.917 2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.322 2.722 2.274 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.032 3.170 1.177 1.00 0.00 H new ATOM 0 HE ARG A 38 2.035 5.433 2.239 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.772 3.271 2.789 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.916 4.591 3.053 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.536 7.131 2.531 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.222 6.760 2.908 1.00 0.00 H new ATOM 647 N VAL A 39 -0.873 4.642 6.250 1.00 0.00 N ATOM 648 CA VAL A 39 -1.349 5.643 7.202 1.00 0.00 C ATOM 649 C VAL A 39 -1.072 7.064 6.721 1.00 0.00 C ATOM 650 O VAL A 39 0.046 7.391 6.328 1.00 0.00 O ATOM 651 CB VAL A 39 -0.689 5.460 8.584 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.303 6.412 9.600 1.00 0.00 C ATOM 653 CG2 VAL A 39 -0.807 4.021 9.053 1.00 0.00 C ATOM 0 H VAL A 39 -0.038 4.139 6.551 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.426 5.496 7.284 1.00 0.00 H new ATOM 0 HB VAL A 39 0.371 5.697 8.490 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.825 6.268 10.569 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.154 7.440 9.271 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.370 6.210 9.689 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.334 3.917 10.030 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.860 3.748 9.128 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.312 3.364 8.338 1.00 0.00 H new ATOM 663 N GLY A 40 -2.098 7.911 6.774 1.00 0.00 N ATOM 664 CA GLY A 40 -1.948 9.292 6.353 1.00 0.00 C ATOM 665 C GLY A 40 -1.997 9.457 4.848 1.00 0.00 C ATOM 666 O GLY A 40 -1.634 10.509 4.320 1.00 0.00 O ATOM 0 H GLY A 40 -3.032 7.664 7.102 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.737 9.892 6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.000 9.679 6.725 1.00 0.00 H new ATOM 670 N PHE A 41 -2.446 8.417 4.153 1.00 0.00 N ATOM 671 CA PHE A 41 -2.539 8.452 2.700 1.00 0.00 C ATOM 672 C PHE A 41 -3.869 7.888 2.233 1.00 0.00 C ATOM 673 O PHE A 41 -4.175 7.887 1.042 1.00 0.00 O ATOM 674 CB PHE A 41 -1.387 7.664 2.087 1.00 0.00 C ATOM 675 CG PHE A 41 -0.050 8.111 2.593 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.486 9.325 2.198 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.661 7.324 3.478 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.712 9.745 2.677 1.00 0.00 C ATOM 679 CE2 PHE A 41 1.887 7.736 3.962 1.00 0.00 C ATOM 680 CZ PHE A 41 2.414 8.949 3.561 1.00 0.00 C ATOM 0 H PHE A 41 -2.751 7.539 4.574 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.475 9.490 2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.519 6.605 2.307 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.415 7.771 1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.060 9.951 1.508 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.253 6.375 3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.121 10.693 2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.433 7.111 4.653 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.373 9.274 3.938 1.00 0.00 H new ATOM 690 N VAL A 42 -4.648 7.395 3.185 1.00 0.00 N ATOM 691 CA VAL A 42 -5.958 6.835 2.890 1.00 0.00 C ATOM 692 C VAL A 42 -6.778 7.783 2.020 1.00 0.00 C ATOM 693 O VAL A 42 -6.990 8.943 2.377 1.00 0.00 O ATOM 694 CB VAL A 42 -6.735 6.540 4.182 1.00 0.00 C ATOM 695 CG1 VAL A 42 -8.014 5.778 3.870 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.856 5.775 5.161 1.00 0.00 C ATOM 0 H VAL A 42 -4.394 7.372 4.172 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.795 5.903 2.348 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.017 7.483 4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.553 5.577 4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.641 6.375 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.766 4.835 3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.418 5.572 6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.543 4.833 4.710 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.976 6.371 5.402 1.00 0.00 H new ATOM 706 N GLY A 43 -7.239 7.281 0.879 1.00 0.00 N ATOM 707 CA GLY A 43 -8.025 8.097 -0.028 1.00 0.00 C ATOM 708 C GLY A 43 -7.166 8.779 -1.074 1.00 0.00 C ATOM 709 O GLY A 43 -7.603 8.990 -2.206 1.00 0.00 O ATOM 0 H GLY A 43 -7.082 6.323 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.770 7.473 -0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.568 8.851 0.542 1.00 0.00 H new ATOM 713 N LYS A 44 -5.942 9.126 -0.692 1.00 0.00 N ATOM 714 CA LYS A 44 -5.011 9.784 -1.594 1.00 0.00 C ATOM 715 C LYS A 44 -4.643 8.872 -2.759 1.00 0.00 C ATOM 716 O LYS A 44 -4.964 7.683 -2.756 1.00 0.00 O ATOM 717 CB LYS A 44 -3.748 10.188 -0.834 1.00 0.00 C ATOM 718 CG LYS A 44 -4.009 11.145 0.318 1.00 0.00 C ATOM 719 CD LYS A 44 -2.710 11.675 0.906 1.00 0.00 C ATOM 720 CE LYS A 44 -2.970 12.619 2.069 1.00 0.00 C ATOM 721 NZ LYS A 44 -1.704 13.142 2.653 1.00 0.00 N ATOM 0 H LYS A 44 -5.572 8.960 0.244 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.495 10.675 -1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.265 9.291 -0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.049 10.652 -1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.619 11.978 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.580 10.635 1.094 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.095 10.841 1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.145 12.195 0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.585 13.453 1.730 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.537 12.098 2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.891 14.045 3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.329 12.456 3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.007 13.291 1.895 1.00 0.00 H new ATOM 735 N ASP A 45 -3.968 9.438 -3.752 1.00 0.00 N ATOM 736 CA ASP A 45 -3.549 8.684 -4.921 1.00 0.00 C ATOM 737 C ASP A 45 -2.348 7.807 -4.591 1.00 0.00 C ATOM 738 O ASP A 45 -2.413 6.581 -4.683 1.00 0.00 O ATOM 739 CB ASP A 45 -3.201 9.644 -6.056 1.00 0.00 C ATOM 740 CG ASP A 45 -4.430 10.280 -6.674 1.00 0.00 C ATOM 741 OD1 ASP A 45 -4.980 9.700 -7.634 1.00 0.00 O ATOM 742 OD2 ASP A 45 -4.844 11.358 -6.198 1.00 0.00 O ATOM 0 H ASP A 45 -3.699 10.422 -3.768 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.370 8.039 -5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.542 10.426 -5.678 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.648 9.106 -6.826 1.00 0.00 H new ATOM 747 N VAL A 46 -1.252 8.449 -4.206 1.00 0.00 N ATOM 748 CA VAL A 46 -0.029 7.743 -3.855 1.00 0.00 C ATOM 749 C VAL A 46 0.200 7.771 -2.349 1.00 0.00 C ATOM 750 O VAL A 46 -0.073 8.771 -1.684 1.00 0.00 O ATOM 751 CB VAL A 46 1.191 8.356 -4.566 1.00 0.00 C ATOM 752 CG1 VAL A 46 1.468 9.757 -4.046 1.00 0.00 C ATOM 753 CG2 VAL A 46 2.412 7.464 -4.405 1.00 0.00 C ATOM 0 H VAL A 46 -1.187 9.464 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.146 6.710 -4.182 1.00 0.00 H new ATOM 0 HB VAL A 46 0.966 8.430 -5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.334 10.172 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.600 10.391 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.669 9.715 -2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.263 7.916 -4.915 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.643 7.350 -3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.207 6.485 -4.839 1.00 0.00 H new ATOM 763 N LEU A 47 0.698 6.663 -1.819 1.00 0.00 N ATOM 764 CA LEU A 47 0.969 6.554 -0.394 1.00 0.00 C ATOM 765 C LEU A 47 2.432 6.866 -0.114 1.00 0.00 C ATOM 766 O LEU A 47 2.756 7.671 0.758 1.00 0.00 O ATOM 767 CB LEU A 47 0.632 5.151 0.102 1.00 0.00 C ATOM 768 CG LEU A 47 -0.567 4.487 -0.579 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.720 3.050 -0.103 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.841 5.277 -0.317 1.00 0.00 C ATOM 0 H LEU A 47 0.923 5.826 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 47 0.345 7.274 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.506 4.515 -0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.440 5.199 1.174 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.389 4.477 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.577 2.592 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.182 2.488 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.874 3.039 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.681 4.787 -0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.027 5.322 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.729 6.288 -0.709 1.00 0.00 H new ATOM 782 N SER A 48 3.306 6.206 -0.864 1.00 0.00 N ATOM 783 CA SER A 48 4.745 6.391 -0.742 1.00 0.00 C ATOM 784 C SER A 48 5.142 7.865 -0.794 1.00 0.00 C ATOM 785 O SER A 48 4.299 8.744 -0.978 1.00 0.00 O ATOM 786 CB SER A 48 5.442 5.643 -1.872 1.00 0.00 C ATOM 787 OG SER A 48 5.381 6.377 -3.084 1.00 0.00 O ATOM 0 H SER A 48 3.035 5.526 -1.575 1.00 0.00 H new ATOM 0 HA SER A 48 5.051 5.999 0.228 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.483 5.462 -1.605 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.974 4.668 -2.010 1.00 0.00 H new ATOM 0 HG SER A 48 5.837 5.877 -3.793 1.00 0.00 H new ATOM 793 N ASP A 49 6.439 8.121 -0.644 1.00 0.00 N ATOM 794 CA ASP A 49 6.962 9.483 -0.673 1.00 0.00 C ATOM 795 C ASP A 49 8.416 9.504 -1.132 1.00 0.00 C ATOM 796 O ASP A 49 8.705 9.773 -2.298 1.00 0.00 O ATOM 797 CB ASP A 49 6.852 10.132 0.708 1.00 0.00 C ATOM 798 CG ASP A 49 5.425 10.494 1.068 1.00 0.00 C ATOM 799 OD1 ASP A 49 4.726 9.639 1.651 1.00 0.00 O ATOM 800 OD2 ASP A 49 5.008 11.632 0.768 1.00 0.00 O ATOM 0 H ASP A 49 7.148 7.401 -0.501 1.00 0.00 H new ATOM 0 HA ASP A 49 6.363 10.050 -1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.251 9.450 1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.469 11.030 0.734 1.00 0.00 H new ATOM 805 N GLU A 50 9.324 9.218 -0.205 1.00 0.00 N ATOM 806 CA GLU A 50 10.747 9.217 -0.504 1.00 0.00 C ATOM 807 C GLU A 50 11.450 8.020 0.129 1.00 0.00 C ATOM 808 O GLU A 50 12.411 7.485 -0.425 1.00 0.00 O ATOM 809 CB GLU A 50 11.366 10.511 0.013 1.00 0.00 C ATOM 810 CG GLU A 50 11.334 10.636 1.529 1.00 0.00 C ATOM 811 CD GLU A 50 11.979 11.914 2.024 1.00 0.00 C ATOM 812 OE1 GLU A 50 13.202 11.902 2.278 1.00 0.00 O ATOM 813 OE2 GLU A 50 11.263 12.928 2.159 1.00 0.00 O ATOM 0 H GLU A 50 9.097 8.984 0.761 1.00 0.00 H new ATOM 0 HA GLU A 50 10.873 9.144 -1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.400 10.571 -0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.837 11.358 -0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.300 10.600 1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.846 9.781 1.971 1.00 0.00 H new ATOM 820 N ILE A 51 10.964 7.607 1.293 1.00 0.00 N ATOM 821 CA ILE A 51 11.545 6.486 2.019 1.00 0.00 C ATOM 822 C ILE A 51 11.299 5.165 1.304 1.00 0.00 C ATOM 823 O ILE A 51 12.173 4.653 0.608 1.00 0.00 O ATOM 824 CB ILE A 51 10.963 6.401 3.441 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.119 7.743 4.152 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.631 5.287 4.232 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.554 8.091 4.489 1.00 0.00 C ATOM 0 H ILE A 51 10.163 8.036 1.757 1.00 0.00 H new ATOM 0 HA ILE A 51 12.620 6.662 2.070 1.00 0.00 H new ATOM 0 HB ILE A 51 9.901 6.168 3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.703 8.529 3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.533 7.727 5.071 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.204 5.246 5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.467 4.334 3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.701 5.482 4.302 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.585 9.057 4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.969 7.326 5.146 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.141 8.140 3.572 1.00 0.00 H new ATOM 839 N LEU A 52 10.113 4.607 1.504 1.00 0.00 N ATOM 840 CA LEU A 52 9.748 3.344 0.873 1.00 0.00 C ATOM 841 C LEU A 52 8.935 3.564 -0.394 1.00 0.00 C ATOM 842 O LEU A 52 7.841 4.125 -0.347 1.00 0.00 O ATOM 843 CB LEU A 52 8.942 2.479 1.843 1.00 0.00 C ATOM 844 CG LEU A 52 9.754 1.427 2.593 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.923 0.803 3.702 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.255 0.358 1.636 1.00 0.00 C ATOM 0 H LEU A 52 9.387 5.008 2.098 1.00 0.00 H new ATOM 0 HA LEU A 52 10.674 2.836 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.458 3.130 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.150 1.977 1.287 1.00 0.00 H new ATOM 0 HG LEU A 52 10.617 1.916 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.518 0.055 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.613 1.577 4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.041 0.329 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.832 -0.384 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.405 -0.127 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.888 0.817 0.876 1.00 0.00 H new ATOM 858 N GLU A 53 9.477 3.130 -1.528 1.00 0.00 N ATOM 859 CA GLU A 53 8.774 3.251 -2.791 1.00 0.00 C ATOM 860 C GLU A 53 7.576 2.320 -2.790 1.00 0.00 C ATOM 861 O GLU A 53 7.636 1.201 -3.296 1.00 0.00 O ATOM 862 CB GLU A 53 9.686 2.917 -3.961 1.00 0.00 C ATOM 863 CG GLU A 53 9.141 3.428 -5.270 1.00 0.00 C ATOM 864 CD GLU A 53 10.153 3.367 -6.398 1.00 0.00 C ATOM 865 OE1 GLU A 53 10.960 4.312 -6.522 1.00 0.00 O ATOM 866 OE2 GLU A 53 10.137 2.377 -7.158 1.00 0.00 O ATOM 0 H GLU A 53 10.397 2.694 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 53 8.442 4.283 -2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.672 3.349 -3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.817 1.837 -4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.263 2.843 -5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.810 4.459 -5.142 1.00 0.00 H new ATOM 873 N VAL A 54 6.489 2.803 -2.225 1.00 0.00 N ATOM 874 CA VAL A 54 5.272 2.016 -2.104 1.00 0.00 C ATOM 875 C VAL A 54 4.364 2.161 -3.311 1.00 0.00 C ATOM 876 O VAL A 54 3.528 3.064 -3.366 1.00 0.00 O ATOM 877 CB VAL A 54 4.475 2.401 -0.845 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.277 1.478 -0.672 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.367 2.372 0.385 1.00 0.00 C ATOM 0 H VAL A 54 6.420 3.744 -1.838 1.00 0.00 H new ATOM 0 HA VAL A 54 5.599 0.979 -2.033 1.00 0.00 H new ATOM 0 HB VAL A 54 4.105 3.419 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.724 1.764 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.626 1.560 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.622 0.449 -0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.784 2.647 1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.771 1.369 0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.186 3.079 0.257 1.00 0.00 H new ATOM 889 N VAL A 55 4.534 1.276 -4.281 1.00 0.00 N ATOM 890 CA VAL A 55 3.690 1.289 -5.458 1.00 0.00 C ATOM 891 C VAL A 55 2.368 0.620 -5.125 1.00 0.00 C ATOM 892 O VAL A 55 2.191 -0.583 -5.323 1.00 0.00 O ATOM 893 CB VAL A 55 4.331 0.561 -6.644 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.491 0.761 -7.895 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.758 1.037 -6.860 1.00 0.00 C ATOM 0 H VAL A 55 5.245 0.545 -4.274 1.00 0.00 H new ATOM 0 HA VAL A 55 3.543 2.329 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 55 4.368 -0.506 -6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.955 0.240 -8.732 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.490 0.362 -7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.424 1.825 -8.122 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.194 0.507 -7.707 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.758 2.108 -7.063 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.347 0.838 -5.965 1.00 0.00 H new ATOM 905 N CYS A 56 1.455 1.413 -4.601 1.00 0.00 N ATOM 906 CA CYS A 56 0.144 0.921 -4.205 1.00 0.00 C ATOM 907 C CYS A 56 -0.682 0.533 -5.420 1.00 0.00 C ATOM 908 O CYS A 56 -0.732 1.259 -6.413 1.00 0.00 O ATOM 909 CB CYS A 56 -0.592 1.974 -3.380 1.00 0.00 C ATOM 910 SG CYS A 56 -2.317 1.565 -3.025 1.00 0.00 S ATOM 0 H CYS A 56 1.596 2.410 -4.437 1.00 0.00 H new ATOM 0 HA CYS A 56 0.288 0.031 -3.593 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -0.063 2.116 -2.438 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.558 2.925 -3.912 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.911 2.600 -2.508 1.00 0.00 H new ATOM 916 N LYS A 57 -1.329 -0.620 -5.330 1.00 0.00 N ATOM 917 CA LYS A 57 -2.148 -1.122 -6.413 1.00 0.00 C ATOM 918 C LYS A 57 -3.443 -1.718 -5.881 1.00 0.00 C ATOM 919 O LYS A 57 -3.764 -2.878 -6.144 1.00 0.00 O ATOM 920 CB LYS A 57 -1.383 -2.175 -7.194 1.00 0.00 C ATOM 921 CG LYS A 57 -0.150 -1.636 -7.904 1.00 0.00 C ATOM 922 CD LYS A 57 0.590 -2.730 -8.659 1.00 0.00 C ATOM 923 CE LYS A 57 -0.065 -3.037 -9.998 1.00 0.00 C ATOM 924 NZ LYS A 57 -1.416 -3.644 -9.838 1.00 0.00 N ATOM 0 H LYS A 57 -1.299 -1.226 -4.510 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.395 -0.289 -7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.080 -2.971 -6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.049 -2.623 -7.932 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.445 -0.850 -8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.520 -1.181 -7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.623 -2.424 -8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.618 -3.635 -8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.148 -2.118 -10.579 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.572 -3.716 -10.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.596 -4.302 -10.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.460 -4.160 -8.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.136 -2.894 -9.843 1.00 0.00 H new ATOM 938 N TYR A 58 -4.161 -0.924 -5.104 1.00 0.00 N ATOM 939 CA TYR A 58 -5.439 -1.353 -4.551 1.00 0.00 C ATOM 940 C TYR A 58 -6.321 -1.859 -5.687 1.00 0.00 C ATOM 941 O TYR A 58 -6.743 -1.087 -6.546 1.00 0.00 O ATOM 942 CB TYR A 58 -6.117 -0.186 -3.810 1.00 0.00 C ATOM 943 CG TYR A 58 -7.390 -0.540 -3.057 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.311 -1.462 -3.559 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.676 0.070 -1.840 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.473 -1.762 -2.876 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.838 -0.228 -1.152 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.733 -1.140 -1.675 1.00 0.00 C ATOM 949 OH TYR A 58 -10.886 -1.433 -0.986 1.00 0.00 O ATOM 0 H TYR A 58 -3.882 0.021 -4.841 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.281 -2.157 -3.833 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.403 0.236 -3.103 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.349 0.595 -4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.110 -1.951 -4.501 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.981 0.786 -1.427 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.172 -2.479 -3.280 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.045 0.252 -0.207 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.915 -0.909 -0.159 1.00 0.00 H new ATOM 959 N THR A 59 -6.588 -3.159 -5.685 1.00 0.00 N ATOM 960 CA THR A 59 -7.410 -3.774 -6.718 1.00 0.00 C ATOM 961 C THR A 59 -8.838 -4.002 -6.235 1.00 0.00 C ATOM 962 O THR A 59 -9.100 -4.917 -5.458 1.00 0.00 O ATOM 963 CB THR A 59 -6.809 -5.115 -7.166 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.800 -5.531 -6.238 1.00 0.00 O ATOM 965 CG2 THR A 59 -6.206 -4.999 -8.556 1.00 0.00 C ATOM 0 H THR A 59 -6.246 -3.809 -4.977 1.00 0.00 H new ATOM 0 HA THR A 59 -7.432 -3.084 -7.562 1.00 0.00 H new ATOM 0 HB THR A 59 -7.608 -5.856 -7.194 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.399 -6.371 -6.545 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.787 -5.961 -8.852 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.980 -4.707 -9.265 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.418 -4.246 -8.549 1.00 0.00 H new ATOM 973 N PRO A 60 -9.782 -3.158 -6.688 1.00 0.00 N ATOM 974 CA PRO A 60 -11.183 -3.241 -6.318 1.00 0.00 C ATOM 975 C PRO A 60 -12.053 -3.851 -7.410 1.00 0.00 C ATOM 976 O PRO A 60 -13.275 -3.914 -7.282 1.00 0.00 O ATOM 977 CB PRO A 60 -11.512 -1.767 -6.158 1.00 0.00 C ATOM 978 CG PRO A 60 -10.733 -1.104 -7.256 1.00 0.00 C ATOM 979 CD PRO A 60 -9.565 -2.011 -7.576 1.00 0.00 C ATOM 0 HA PRO A 60 -11.362 -3.872 -5.447 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.582 -1.583 -6.259 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.216 -1.395 -5.177 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.358 -0.954 -8.136 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.383 -0.121 -6.942 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.561 -2.308 -8.625 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.610 -1.524 -7.379 1.00 0.00 H new ATOM 987 N THR A 61 -11.413 -4.297 -8.479 1.00 0.00 N ATOM 988 CA THR A 61 -12.130 -4.878 -9.607 1.00 0.00 C ATOM 989 C THR A 61 -11.669 -6.310 -9.884 1.00 0.00 C ATOM 990 O THR A 61 -10.476 -6.602 -9.834 1.00 0.00 O ATOM 991 CB THR A 61 -11.931 -4.038 -10.883 1.00 0.00 C ATOM 992 OG1 THR A 61 -11.670 -2.673 -10.533 1.00 0.00 O ATOM 993 CG2 THR A 61 -13.159 -4.103 -11.779 1.00 0.00 C ATOM 0 H THR A 61 -10.400 -4.269 -8.591 1.00 0.00 H new ATOM 0 HA THR A 61 -13.186 -4.887 -9.338 1.00 0.00 H new ATOM 0 HB THR A 61 -11.081 -4.449 -11.428 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.543 -2.145 -11.349 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.990 -3.501 -12.672 1.00 0.00 H new ATOM 0 HG22 THR A 61 -13.344 -5.137 -12.068 1.00 0.00 H new ATOM 0 HG23 THR A 61 -14.024 -3.717 -11.239 1.00 0.00 H new ATOM 1001 N PRO A 62 -12.614 -7.223 -10.180 1.00 0.00 N ATOM 1002 CA PRO A 62 -12.296 -8.623 -10.468 1.00 0.00 C ATOM 1003 C PRO A 62 -11.796 -8.820 -11.896 1.00 0.00 C ATOM 1004 O PRO A 62 -11.845 -7.900 -12.713 1.00 0.00 O ATOM 1005 CB PRO A 62 -13.635 -9.326 -10.269 1.00 0.00 C ATOM 1006 CG PRO A 62 -14.654 -8.300 -10.624 1.00 0.00 C ATOM 1007 CD PRO A 62 -14.065 -6.965 -10.250 1.00 0.00 C ATOM 0 HA PRO A 62 -11.496 -9.005 -9.833 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -13.719 -10.206 -10.907 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.756 -9.665 -9.240 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -14.887 -8.337 -11.688 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -15.586 -8.477 -10.087 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.300 -6.203 -10.993 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -14.454 -6.610 -9.296 1.00 0.00 H new ATOM 1015 N SER A 63 -11.316 -10.024 -12.190 1.00 0.00 N ATOM 1016 CA SER A 63 -10.808 -10.342 -13.519 1.00 0.00 C ATOM 1017 C SER A 63 -10.648 -11.849 -13.696 1.00 0.00 C ATOM 1018 O SER A 63 -10.744 -12.610 -12.732 1.00 0.00 O ATOM 1019 CB SER A 63 -9.466 -9.645 -13.754 1.00 0.00 C ATOM 1020 OG SER A 63 -8.979 -9.901 -15.060 1.00 0.00 O ATOM 0 H SER A 63 -11.268 -10.796 -11.525 1.00 0.00 H new ATOM 0 HA SER A 63 -11.531 -9.983 -14.252 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.581 -8.571 -13.610 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.740 -9.990 -13.018 1.00 0.00 H new ATOM 0 HG SER A 63 -8.444 -9.139 -15.365 1.00 0.00 H new ATOM 1026 N SER A 64 -10.406 -12.272 -14.932 1.00 0.00 N ATOM 1027 CA SER A 64 -10.233 -13.688 -15.237 1.00 0.00 C ATOM 1028 C SER A 64 -8.819 -13.970 -15.733 1.00 0.00 C ATOM 1029 O SER A 64 -8.525 -15.066 -16.212 1.00 0.00 O ATOM 1030 CB SER A 64 -11.252 -14.131 -16.289 1.00 0.00 C ATOM 1031 OG SER A 64 -11.096 -13.400 -17.492 1.00 0.00 O ATOM 0 H SER A 64 -10.325 -11.654 -15.740 1.00 0.00 H new ATOM 0 HA SER A 64 -10.396 -14.254 -14.320 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.133 -15.196 -16.489 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.262 -13.990 -15.903 1.00 0.00 H new ATOM 0 HG SER A 64 -11.758 -13.704 -18.148 1.00 0.00 H new ATOM 1037 N THR A 65 -7.945 -12.975 -15.614 1.00 0.00 N ATOM 1038 CA THR A 65 -6.561 -13.115 -16.050 1.00 0.00 C ATOM 1039 C THR A 65 -5.839 -14.205 -15.260 1.00 0.00 C ATOM 1040 O THR A 65 -6.225 -14.522 -14.134 1.00 0.00 O ATOM 1041 CB THR A 65 -5.789 -11.790 -15.897 1.00 0.00 C ATOM 1042 OG1 THR A 65 -5.843 -11.344 -14.537 1.00 0.00 O ATOM 1043 CG2 THR A 65 -6.367 -10.719 -16.811 1.00 0.00 C ATOM 0 H THR A 65 -8.172 -12.062 -15.219 1.00 0.00 H new ATOM 0 HA THR A 65 -6.589 -13.394 -17.103 1.00 0.00 H new ATOM 0 HB THR A 65 -4.751 -11.966 -16.179 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.348 -10.503 -14.449 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.806 -9.793 -16.686 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.297 -11.049 -17.848 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.413 -10.548 -16.555 1.00 0.00 H new ATOM 1051 N PRO A 66 -4.778 -14.795 -15.842 1.00 0.00 N ATOM 1052 CA PRO A 66 -3.998 -15.854 -15.188 1.00 0.00 C ATOM 1053 C PRO A 66 -3.072 -15.313 -14.111 1.00 0.00 C ATOM 1054 O PRO A 66 -2.177 -16.008 -13.631 1.00 0.00 O ATOM 1055 CB PRO A 66 -3.187 -16.436 -16.340 1.00 0.00 C ATOM 1056 CG PRO A 66 -2.970 -15.269 -17.236 1.00 0.00 C ATOM 1057 CD PRO A 66 -4.251 -14.484 -17.187 1.00 0.00 C ATOM 0 HA PRO A 66 -4.633 -16.577 -14.676 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.243 -16.857 -15.994 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.726 -17.236 -16.847 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.127 -14.666 -16.899 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.745 -15.591 -18.253 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.075 -13.416 -17.315 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.942 -14.790 -17.972 1.00 0.00 H new ATOM 1065 N MET A 67 -3.302 -14.067 -13.739 1.00 0.00 N ATOM 1066 CA MET A 67 -2.502 -13.403 -12.719 1.00 0.00 C ATOM 1067 C MET A 67 -3.354 -13.063 -11.502 1.00 0.00 C ATOM 1068 O MET A 67 -3.813 -11.930 -11.348 1.00 0.00 O ATOM 1069 CB MET A 67 -1.861 -12.134 -13.283 1.00 0.00 C ATOM 1070 CG MET A 67 -0.942 -12.390 -14.467 1.00 0.00 C ATOM 1071 SD MET A 67 -0.204 -10.878 -15.115 1.00 0.00 S ATOM 1072 CE MET A 67 0.787 -11.532 -16.455 1.00 0.00 C ATOM 0 H MET A 67 -4.044 -13.487 -14.131 1.00 0.00 H new ATOM 0 HA MET A 67 -1.712 -14.087 -12.409 1.00 0.00 H new ATOM 0 HB2 MET A 67 -2.648 -11.444 -13.587 1.00 0.00 H new ATOM 0 HB3 MET A 67 -1.293 -11.642 -12.493 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.150 -13.076 -14.165 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.506 -12.883 -15.259 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.307 -10.715 -16.955 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.517 -12.237 -16.057 1.00 0.00 H new ATOM 0 HE3 MET A 67 0.141 -12.042 -17.170 1.00 0.00 H new ATOM 1082 N VAL A 68 -3.569 -14.056 -10.647 1.00 0.00 N ATOM 1083 CA VAL A 68 -4.366 -13.874 -9.439 1.00 0.00 C ATOM 1084 C VAL A 68 -3.845 -12.706 -8.607 1.00 0.00 C ATOM 1085 O VAL A 68 -2.672 -12.666 -8.237 1.00 0.00 O ATOM 1086 CB VAL A 68 -4.369 -15.148 -8.572 1.00 0.00 C ATOM 1087 CG1 VAL A 68 -5.302 -14.984 -7.381 1.00 0.00 C ATOM 1088 CG2 VAL A 68 -4.761 -16.360 -9.403 1.00 0.00 C ATOM 0 H VAL A 68 -3.201 -14.999 -10.769 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.385 -13.660 -9.761 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.360 -15.308 -8.193 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.290 -15.894 -6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.970 -14.144 -6.772 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.315 -14.797 -7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.757 -17.250 -8.773 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.759 -16.211 -9.815 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.048 -16.489 -10.217 1.00 0.00 H new ATOM 1098 N GLY A 69 -4.730 -11.758 -8.316 1.00 0.00 N ATOM 1099 CA GLY A 69 -4.350 -10.598 -7.529 1.00 0.00 C ATOM 1100 C GLY A 69 -5.059 -9.338 -7.984 1.00 0.00 C ATOM 1101 O GLY A 69 -4.487 -8.249 -7.952 1.00 0.00 O ATOM 0 H GLY A 69 -5.706 -11.772 -8.612 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.579 -10.783 -6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.272 -10.451 -7.599 1.00 0.00 H new ATOM 1105 N VAL A 70 -6.308 -9.493 -8.407 1.00 0.00 N ATOM 1106 CA VAL A 70 -7.104 -8.373 -8.875 1.00 0.00 C ATOM 1107 C VAL A 70 -8.595 -8.681 -8.769 1.00 0.00 C ATOM 1108 O VAL A 70 -9.194 -9.251 -9.681 1.00 0.00 O ATOM 1109 CB VAL A 70 -6.747 -8.011 -10.330 1.00 0.00 C ATOM 1110 CG1 VAL A 70 -6.747 -9.251 -11.212 1.00 0.00 C ATOM 1111 CG2 VAL A 70 -7.693 -6.951 -10.881 1.00 0.00 C ATOM 0 H VAL A 70 -6.791 -10.391 -8.434 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.876 -7.519 -8.237 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.740 -7.593 -10.333 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.492 -8.971 -12.234 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.012 -9.964 -10.838 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.736 -9.708 -11.197 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.417 -6.716 -11.909 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.715 -7.328 -10.857 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.624 -6.050 -10.272 1.00 0.00 H new ATOM 1121 N GLY A 71 -9.190 -8.313 -7.639 1.00 0.00 N ATOM 1122 CA GLY A 71 -10.599 -8.555 -7.439 1.00 0.00 C ATOM 1123 C GLY A 71 -11.059 -8.270 -6.026 1.00 0.00 C ATOM 1124 O GLY A 71 -11.710 -9.106 -5.398 1.00 0.00 O ATOM 0 H GLY A 71 -8.718 -7.852 -6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -11.169 -7.936 -8.131 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.821 -9.594 -7.684 1.00 0.00 H new ATOM 1128 N GLY A 72 -10.722 -7.090 -5.523 1.00 0.00 N ATOM 1129 CA GLY A 72 -11.130 -6.718 -4.186 1.00 0.00 C ATOM 1130 C GLY A 72 -10.013 -6.808 -3.173 1.00 0.00 C ATOM 1131 O GLY A 72 -10.265 -6.831 -1.969 1.00 0.00 O ATOM 0 H GLY A 72 -10.174 -6.386 -6.017 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.515 -5.699 -4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.950 -7.364 -3.871 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.776 -6.861 -3.651 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.636 -6.945 -2.753 1.00 0.00 C ATOM 1137 C ILE A 73 -6.814 -5.666 -2.780 1.00 0.00 C ATOM 1138 O ILE A 73 -7.242 -4.645 -3.319 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.708 -8.134 -3.068 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -6.026 -7.971 -4.421 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.463 -9.446 -3.004 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.677 -8.655 -4.475 1.00 0.00 C ATOM 0 H ILE A 73 -8.540 -6.847 -4.643 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.060 -7.095 -1.760 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.930 -8.149 -2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.669 -8.380 -5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.901 -6.910 -4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.784 -10.268 -3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.875 -9.580 -2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.274 -9.435 -3.732 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.234 -8.508 -5.460 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.022 -8.228 -3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.802 -9.722 -4.289 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.630 -5.735 -2.188 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.734 -4.594 -2.121 1.00 0.00 C ATOM 1156 C TYR A 74 -3.305 -5.025 -2.434 1.00 0.00 C ATOM 1157 O TYR A 74 -2.662 -5.687 -1.621 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.802 -3.972 -0.723 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.178 -4.047 -0.088 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.618 -5.211 0.532 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.034 -2.957 -0.107 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.869 -5.285 1.112 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.288 -3.025 0.475 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.698 -4.189 1.082 1.00 0.00 C ATOM 1165 OH TYR A 74 -9.945 -4.257 1.660 1.00 0.00 O ATOM 0 H TYR A 74 -5.267 -6.578 -1.744 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.042 -3.854 -2.860 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.085 -4.476 -0.075 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.496 -2.928 -0.784 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.969 -6.074 0.561 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.718 -2.041 -0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.194 -6.199 1.587 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.943 -2.166 0.453 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.403 -3.397 1.552 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.813 -4.655 -3.615 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.459 -5.017 -4.021 1.00 0.00 C ATOM 1177 C VAL A 75 -0.479 -3.902 -3.684 1.00 0.00 C ATOM 1178 O VAL A 75 -0.386 -2.904 -4.398 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.384 -5.327 -5.529 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.054 -5.581 -5.958 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -2.265 -6.517 -5.874 1.00 0.00 C ATOM 0 H VAL A 75 -3.330 -4.108 -4.303 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.187 -5.916 -3.469 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.752 -4.458 -6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.082 -5.798 -7.026 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.657 -4.697 -5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.454 -6.431 -5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.199 -6.721 -6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.930 -7.392 -5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.299 -6.293 -5.610 1.00 0.00 H new ATOM 1191 N VAL A 76 0.253 -4.078 -2.592 1.00 0.00 N ATOM 1192 CA VAL A 76 1.216 -3.076 -2.150 1.00 0.00 C ATOM 1193 C VAL A 76 2.657 -3.501 -2.434 1.00 0.00 C ATOM 1194 O VAL A 76 3.127 -4.516 -1.919 1.00 0.00 O ATOM 1195 CB VAL A 76 1.071 -2.796 -0.641 1.00 0.00 C ATOM 1196 CG1 VAL A 76 1.975 -1.649 -0.217 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.379 -2.498 -0.286 1.00 0.00 C ATOM 0 H VAL A 76 0.199 -4.904 -1.996 1.00 0.00 H new ATOM 0 HA VAL A 76 0.999 -2.170 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 76 1.378 -3.690 -0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.857 -1.468 0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.013 -1.906 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.704 -0.749 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.459 -2.303 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.717 -1.623 -0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.001 -3.355 -0.546 1.00 0.00 H new ATOM 1207 N LEU A 77 3.350 -2.717 -3.262 1.00 0.00 N ATOM 1208 CA LEU A 77 4.747 -2.991 -3.591 1.00 0.00 C ATOM 1209 C LEU A 77 5.652 -2.031 -2.839 1.00 0.00 C ATOM 1210 O LEU A 77 5.731 -0.851 -3.173 1.00 0.00 O ATOM 1211 CB LEU A 77 4.998 -2.856 -5.094 1.00 0.00 C ATOM 1212 CG LEU A 77 4.321 -3.920 -5.961 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.580 -3.650 -7.435 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.810 -5.308 -5.577 1.00 0.00 C ATOM 0 H LEU A 77 2.966 -1.888 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 77 4.968 -4.016 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.655 -1.873 -5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.073 -2.893 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 77 3.246 -3.874 -5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.091 -4.416 -8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.182 -2.671 -7.701 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.653 -3.669 -7.625 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.319 -6.053 -6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.889 -5.367 -5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.573 -5.501 -4.531 1.00 0.00 H new ATOM 1226 N VAL A 78 6.340 -2.536 -1.828 1.00 0.00 N ATOM 1227 CA VAL A 78 7.223 -1.700 -1.033 1.00 0.00 C ATOM 1228 C VAL A 78 8.671 -1.849 -1.492 1.00 0.00 C ATOM 1229 O VAL A 78 9.323 -2.856 -1.215 1.00 0.00 O ATOM 1230 CB VAL A 78 7.110 -2.029 0.466 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.680 -0.794 1.252 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.140 -3.177 0.697 1.00 0.00 C ATOM 0 H VAL A 78 6.305 -3.514 -1.540 1.00 0.00 H new ATOM 0 HA VAL A 78 6.911 -0.666 -1.180 1.00 0.00 H new ATOM 0 HB VAL A 78 8.092 -2.340 0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.605 -1.044 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.417 -0.002 1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.710 -0.452 0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.077 -3.391 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.154 -2.901 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.493 -4.063 0.169 1.00 0.00 H new ATOM 1242 N LYS A 79 9.160 -0.834 -2.198 1.00 0.00 N ATOM 1243 CA LYS A 79 10.521 -0.836 -2.722 1.00 0.00 C ATOM 1244 C LYS A 79 11.410 0.154 -1.972 1.00 0.00 C ATOM 1245 O LYS A 79 11.369 1.352 -2.236 1.00 0.00 O ATOM 1246 CB LYS A 79 10.507 -0.487 -4.211 1.00 0.00 C ATOM 1247 CG LYS A 79 10.387 -1.701 -5.118 1.00 0.00 C ATOM 1248 CD LYS A 79 10.472 -1.313 -6.586 1.00 0.00 C ATOM 1249 CE LYS A 79 9.250 -0.525 -7.028 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.325 -0.141 -8.465 1.00 0.00 N ATOM 0 H LYS A 79 8.628 0.007 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 79 10.932 -1.836 -2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.675 0.189 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.421 0.052 -4.458 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.179 -2.412 -4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.439 -2.205 -4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.370 -0.718 -6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.566 -2.212 -7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.353 -1.121 -6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.157 0.373 -6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.387 -0.247 -8.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.634 0.849 -8.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.006 -0.757 -8.954 1.00 0.00 H new ATOM 1264 N PRO A 80 12.232 -0.337 -1.029 1.00 0.00 N ATOM 1265 CA PRO A 80 13.133 0.514 -0.246 1.00 0.00 C ATOM 1266 C PRO A 80 13.900 1.510 -1.113 1.00 0.00 C ATOM 1267 O PRO A 80 14.933 1.180 -1.695 1.00 0.00 O ATOM 1268 CB PRO A 80 14.087 -0.488 0.400 1.00 0.00 C ATOM 1269 CG PRO A 80 13.288 -1.740 0.521 1.00 0.00 C ATOM 1270 CD PRO A 80 12.347 -1.758 -0.651 1.00 0.00 C ATOM 0 HA PRO A 80 12.592 1.131 0.471 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.975 -0.642 -0.213 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.428 -0.139 1.375 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.936 -2.617 0.512 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.737 -1.760 1.461 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.740 -2.360 -1.471 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.379 -2.180 -0.381 1.00 0.00 H new ATOM 1278 N ARG A 81 13.377 2.731 -1.198 1.00 0.00 N ATOM 1279 CA ARG A 81 13.998 3.783 -1.994 1.00 0.00 C ATOM 1280 C ARG A 81 15.316 4.238 -1.374 1.00 0.00 C ATOM 1281 O ARG A 81 16.256 4.597 -2.083 1.00 0.00 O ATOM 1282 CB ARG A 81 13.048 4.973 -2.120 1.00 0.00 C ATOM 1283 CG ARG A 81 12.534 5.198 -3.531 1.00 0.00 C ATOM 1284 CD ARG A 81 11.490 6.299 -3.568 1.00 0.00 C ATOM 1285 NE ARG A 81 10.968 6.516 -4.913 1.00 0.00 N ATOM 1286 CZ ARG A 81 9.874 7.226 -5.176 1.00 0.00 C ATOM 1287 NH1 ARG A 81 9.188 7.783 -4.187 1.00 0.00 N ATOM 1288 NH2 ARG A 81 9.465 7.379 -6.428 1.00 0.00 N ATOM 0 H ARG A 81 12.521 3.016 -0.722 1.00 0.00 H new ATOM 0 HA ARG A 81 14.207 3.378 -2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.199 4.821 -1.454 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.561 5.873 -1.782 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.365 5.460 -4.186 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.104 4.273 -3.916 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.669 6.042 -2.898 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.927 7.225 -3.196 1.00 0.00 H new ATOM 0 HE ARG A 81 11.471 6.099 -5.697 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.499 7.667 -3.222 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.350 8.327 -4.391 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.989 6.952 -7.192 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.626 7.924 -6.627 1.00 0.00 H new ATOM 1302 N LYS A 82 15.376 4.219 -0.046 1.00 0.00 N ATOM 1303 CA LYS A 82 16.576 4.635 0.671 1.00 0.00 C ATOM 1304 C LYS A 82 17.139 3.487 1.503 1.00 0.00 C ATOM 1305 O LYS A 82 16.609 2.376 1.486 1.00 0.00 O ATOM 1306 CB LYS A 82 16.263 5.829 1.576 1.00 0.00 C ATOM 1307 CG LYS A 82 15.641 7.006 0.842 1.00 0.00 C ATOM 1308 CD LYS A 82 15.459 8.203 1.762 1.00 0.00 C ATOM 1309 CE LYS A 82 14.855 9.385 1.022 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.708 9.823 -0.118 1.00 0.00 N ATOM 0 H LYS A 82 14.608 3.920 0.555 1.00 0.00 H new ATOM 0 HA LYS A 82 17.326 4.928 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.586 5.506 2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.183 6.159 2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.273 7.286 -0.000 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.675 6.711 0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.815 7.927 2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.423 8.490 2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.866 9.114 0.652 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.720 10.216 1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.406 10.766 -0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.702 9.861 0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.612 9.147 -0.903 1.00 0.00 H new ATOM 1324 N ARG A 83 18.220 3.763 2.227 1.00 0.00 N ATOM 1325 CA ARG A 83 18.853 2.758 3.073 1.00 0.00 C ATOM 1326 C ARG A 83 18.848 3.198 4.532 1.00 0.00 C ATOM 1327 O ARG A 83 19.397 4.245 4.874 1.00 0.00 O ATOM 1328 CB ARG A 83 20.289 2.517 2.611 1.00 0.00 C ATOM 1329 CG ARG A 83 20.402 2.163 1.140 1.00 0.00 C ATOM 1330 CD ARG A 83 21.850 2.153 0.692 1.00 0.00 C ATOM 1331 NE ARG A 83 22.601 1.052 1.288 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.929 0.969 1.266 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.646 1.918 0.681 1.00 0.00 N ATOM 1334 NH2 ARG A 83 24.539 -0.065 1.830 1.00 0.00 N ATOM 0 H ARG A 83 18.676 4.675 2.244 1.00 0.00 H new ATOM 0 HA ARG A 83 18.285 1.831 2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.880 3.412 2.807 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.723 1.712 3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.956 1.184 0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.839 2.882 0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 83 21.893 2.074 -0.394 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.319 3.099 0.962 1.00 0.00 H new ATOM 0 HE ARG A 83 22.079 0.305 1.747 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.180 2.714 0.246 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.664 1.852 0.666 1.00 0.00 H new ATOM 0 HH21 ARG A 83 23.990 -0.797 2.281 1.00 0.00 H new ATOM 0 HH22 ARG A 83 25.557 -0.128 1.813 1.00 0.00 H new ATOM 1348 N GLY A 84 18.225 2.395 5.390 1.00 0.00 N ATOM 1349 CA GLY A 84 18.166 2.728 6.802 1.00 0.00 C ATOM 1350 C GLY A 84 16.859 2.310 7.445 1.00 0.00 C ATOM 1351 O GLY A 84 16.502 1.133 7.434 1.00 0.00 O ATOM 0 H GLY A 84 17.762 1.523 5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.993 2.243 7.321 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.299 3.803 6.924 1.00 0.00 H new ATOM 1355 N HIS A 85 16.142 3.279 8.009 1.00 0.00 N ATOM 1356 CA HIS A 85 14.869 3.004 8.662 1.00 0.00 C ATOM 1357 C HIS A 85 13.709 3.148 7.685 1.00 0.00 C ATOM 1358 O HIS A 85 13.417 4.242 7.202 1.00 0.00 O ATOM 1359 CB HIS A 85 14.663 3.938 9.852 1.00 0.00 C ATOM 1360 CG HIS A 85 13.407 3.666 10.618 1.00 0.00 C ATOM 1361 ND1 HIS A 85 12.270 4.439 10.499 1.00 0.00 N ATOM 1362 CD2 HIS A 85 13.109 2.701 11.520 1.00 0.00 C ATOM 1363 CE1 HIS A 85 11.330 3.961 11.295 1.00 0.00 C ATOM 1364 NE2 HIS A 85 11.813 2.906 11.925 1.00 0.00 N ATOM 0 H HIS A 85 16.422 4.260 8.026 1.00 0.00 H new ATOM 0 HA HIS A 85 14.895 1.974 9.019 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.516 3.848 10.525 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.645 4.968 9.496 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.769 1.916 11.858 1.00 0.00 H new ATOM 0 HE1 HIS A 85 10.335 4.365 11.411 1.00 0.00 H new ATOM 0 HE2 HIS A 85 11.306 2.336 12.602 1.00 0.00 H new ATOM 1373 N HIS A 86 13.055 2.030 7.406 1.00 0.00 N ATOM 1374 CA HIS A 86 11.920 2.003 6.492 1.00 0.00 C ATOM 1375 C HIS A 86 10.800 1.148 7.071 1.00 0.00 C ATOM 1376 O HIS A 86 11.059 0.203 7.817 1.00 0.00 O ATOM 1377 CB HIS A 86 12.339 1.451 5.128 1.00 0.00 C ATOM 1378 CG HIS A 86 13.415 2.244 4.458 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.612 2.558 5.066 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.472 2.786 3.218 1.00 0.00 C ATOM 1381 CE1 HIS A 86 15.356 3.262 4.232 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.687 3.411 3.104 1.00 0.00 N ATOM 0 H HIS A 86 13.293 1.121 7.803 1.00 0.00 H new ATOM 0 HA HIS A 86 11.561 3.024 6.361 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.682 0.424 5.253 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.466 1.419 4.476 1.00 0.00 H new ATOM 0 HD1 HIS A 86 14.881 2.289 6.012 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.704 2.735 2.461 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.343 3.649 4.438 1.00 0.00 H new ATOM 1391 N THR A 87 9.557 1.472 6.725 1.00 0.00 N ATOM 1392 CA THR A 87 8.417 0.721 7.233 1.00 0.00 C ATOM 1393 C THR A 87 7.164 0.939 6.388 1.00 0.00 C ATOM 1394 O THR A 87 6.997 1.986 5.762 1.00 0.00 O ATOM 1395 CB THR A 87 8.105 1.112 8.688 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.252 0.894 9.516 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.933 0.307 9.218 1.00 0.00 C ATOM 0 H THR A 87 9.317 2.242 6.101 1.00 0.00 H new ATOM 0 HA THR A 87 8.695 -0.332 7.183 1.00 0.00 H new ATOM 0 HB THR A 87 7.843 2.170 8.708 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.152 0.046 9.997 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.728 0.598 10.248 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.053 0.499 8.605 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.175 -0.755 9.182 1.00 0.00 H new ATOM 1405 N LEU A 88 6.283 -0.061 6.388 1.00 0.00 N ATOM 1406 CA LEU A 88 5.037 0.012 5.641 1.00 0.00 C ATOM 1407 C LEU A 88 3.853 -0.167 6.581 1.00 0.00 C ATOM 1408 O LEU A 88 3.189 -1.204 6.582 1.00 0.00 O ATOM 1409 CB LEU A 88 4.991 -1.047 4.542 1.00 0.00 C ATOM 1410 CG LEU A 88 3.729 -1.013 3.679 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.672 0.279 2.881 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.675 -2.217 2.755 1.00 0.00 C ATOM 0 H LEU A 88 6.414 -0.933 6.901 1.00 0.00 H new ATOM 0 HA LEU A 88 4.981 0.994 5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.860 -0.920 3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.075 -2.032 5.001 1.00 0.00 H new ATOM 0 HG LEU A 88 2.860 -1.054 4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.769 0.290 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.659 1.128 3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.547 0.346 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.769 -2.172 2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.547 -2.214 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.670 -3.131 3.349 1.00 0.00 H new ATOM 1424 N GLU A 89 3.610 0.850 7.388 1.00 0.00 N ATOM 1425 CA GLU A 89 2.515 0.829 8.345 1.00 0.00 C ATOM 1426 C GLU A 89 1.177 0.927 7.630 1.00 0.00 C ATOM 1427 O GLU A 89 0.793 1.993 7.145 1.00 0.00 O ATOM 1428 CB GLU A 89 2.669 1.978 9.331 1.00 0.00 C ATOM 1429 CG GLU A 89 3.177 3.238 8.669 1.00 0.00 C ATOM 1430 CD GLU A 89 3.139 4.445 9.584 1.00 0.00 C ATOM 1431 OE1 GLU A 89 2.046 5.023 9.761 1.00 0.00 O ATOM 1432 OE2 GLU A 89 4.202 4.814 10.125 1.00 0.00 O ATOM 0 H GLU A 89 4.161 1.708 7.400 1.00 0.00 H new ATOM 0 HA GLU A 89 2.545 -0.115 8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.707 2.180 9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.357 1.684 10.124 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.201 3.077 8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.578 3.443 7.782 1.00 0.00 H new ATOM 1439 N LEU A 90 0.476 -0.192 7.561 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.820 -0.244 6.903 1.00 0.00 C ATOM 1441 C LEU A 90 -1.944 -0.363 7.918 1.00 0.00 C ATOM 1442 O LEU A 90 -1.747 -0.862 9.028 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.872 -1.416 5.921 1.00 0.00 C ATOM 1444 CG LEU A 90 0.262 -1.453 4.894 1.00 0.00 C ATOM 1445 CD1 LEU A 90 -0.050 -2.453 3.791 1.00 0.00 C ATOM 1446 CD2 LEU A 90 0.502 -0.068 4.312 1.00 0.00 C ATOM 0 H LEU A 90 0.784 -1.081 7.954 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.955 0.687 6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.858 -2.346 6.489 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.823 -1.382 5.389 1.00 0.00 H new ATOM 0 HG LEU A 90 1.173 -1.773 5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.767 -2.466 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.168 -3.447 4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.973 -2.164 3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.312 -0.115 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.406 0.283 3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.773 0.621 5.112 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.128 0.093 7.525 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.292 0.047 8.397 1.00 0.00 C ATOM 1460 C VAL A 91 -5.575 -0.208 7.612 1.00 0.00 C ATOM 1461 O VAL A 91 -5.633 0.001 6.392 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.465 1.366 9.177 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -3.979 1.213 10.610 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -3.756 2.514 8.466 1.00 0.00 C ATOM 0 H VAL A 91 -3.306 0.499 6.606 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.117 -0.775 9.091 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.527 1.607 9.212 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.111 2.156 11.141 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.554 0.432 11.108 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.923 0.941 10.609 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.892 3.434 9.035 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.692 2.291 8.386 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.176 2.639 7.468 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.598 -0.668 8.331 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.909 -0.930 7.752 1.00 0.00 C ATOM 1476 C TYR A 92 -8.853 0.198 8.157 1.00 0.00 C ATOM 1477 O TYR A 92 -9.516 0.122 9.190 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.440 -2.282 8.243 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.516 -2.893 7.367 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.429 -2.846 5.981 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.615 -3.530 7.932 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.405 -3.413 5.184 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.594 -4.101 7.143 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.485 -4.040 5.769 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.458 -4.607 4.979 1.00 0.00 O ATOM 0 H TYR A 92 -6.539 -0.868 9.329 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.837 -0.971 6.665 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.607 -2.981 8.313 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.837 -2.157 9.250 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.584 -2.358 5.519 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.705 -3.579 9.007 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.322 -3.365 4.108 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.441 -4.593 7.599 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.060 -4.910 4.136 1.00 0.00 H new ATOM 1495 N THR A 93 -8.894 1.251 7.344 1.00 0.00 N ATOM 1496 CA THR A 93 -9.714 2.423 7.644 1.00 0.00 C ATOM 1497 C THR A 93 -10.759 2.715 6.576 1.00 0.00 C ATOM 1498 O THR A 93 -10.726 2.160 5.486 1.00 0.00 O ATOM 1499 CB THR A 93 -8.830 3.667 7.767 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.633 4.814 8.063 1.00 0.00 O ATOM 1501 CG2 THR A 93 -8.072 3.895 6.472 1.00 0.00 C ATOM 0 H THR A 93 -8.369 1.317 6.472 1.00 0.00 H new ATOM 0 HA THR A 93 -10.225 2.194 8.579 1.00 0.00 H new ATOM 0 HB THR A 93 -8.118 3.512 8.577 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.652 5.410 7.285 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.446 4.782 6.568 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.445 3.029 6.260 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.780 4.038 5.656 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.672 3.624 6.902 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.718 4.034 5.977 1.00 0.00 C ATOM 1511 C ARG A 94 -12.359 5.380 5.347 1.00 0.00 C ATOM 1512 O ARG A 94 -12.604 6.430 5.941 1.00 0.00 O ATOM 1513 CB ARG A 94 -14.061 4.144 6.699 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.532 2.838 7.317 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.895 2.992 7.974 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.916 3.414 7.021 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.185 3.639 7.351 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.585 3.483 8.606 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -19.054 4.021 6.425 1.00 0.00 N ATOM 0 H ARG A 94 -11.707 4.093 7.807 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.802 3.280 5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.982 4.898 7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.815 4.495 5.994 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.583 2.068 6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.806 2.502 8.057 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.189 2.044 8.425 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.828 3.722 8.781 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.641 3.544 6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.919 3.190 9.321 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.559 3.656 8.856 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.750 4.142 5.459 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.027 4.193 6.679 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.757 5.368 4.143 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.360 6.590 3.437 1.00 0.00 C ATOM 1535 C PRO A 95 -12.467 7.638 3.415 1.00 0.00 C ATOM 1536 O PRO A 95 -12.201 8.840 3.452 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.055 6.107 2.009 1.00 0.00 C ATOM 1538 CG PRO A 95 -11.496 4.678 1.959 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.413 4.173 3.366 1.00 0.00 C ATOM 0 HA PRO A 95 -10.515 7.077 3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.588 6.707 1.271 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.992 6.196 1.785 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.513 4.596 1.574 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.856 4.095 1.296 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.110 3.355 3.547 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.417 3.803 3.608 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.707 7.172 3.356 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.859 8.048 3.325 1.00 0.00 C ATOM 1549 C PHE A 96 -15.043 8.778 4.654 1.00 0.00 C ATOM 1550 O PHE A 96 -15.457 9.937 4.683 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.099 7.222 2.999 1.00 0.00 C ATOM 1552 CG PHE A 96 -16.042 6.564 1.649 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.333 5.387 1.468 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.694 7.124 0.563 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.276 4.780 0.228 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -16.640 6.522 -0.680 1.00 0.00 C ATOM 1557 CZ PHE A 96 -15.930 5.348 -0.848 1.00 0.00 C ATOM 0 H PHE A 96 -13.937 6.179 3.329 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.703 8.806 2.557 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.227 6.455 3.763 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.977 7.866 3.044 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.819 4.939 2.306 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.251 8.041 0.689 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.721 3.863 0.100 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -17.152 6.969 -1.519 1.00 0.00 H new ATOM 0 HZ PHE A 96 -15.887 4.876 -1.818 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.732 8.095 5.753 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.867 8.683 7.083 1.00 0.00 C ATOM 1569 C GLU A 97 -13.509 9.087 7.653 1.00 0.00 C ATOM 1570 O GLU A 97 -13.130 10.258 7.611 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.554 7.697 8.032 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.943 7.279 7.575 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.898 8.450 7.463 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.567 8.768 8.470 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -17.980 9.049 6.370 1.00 0.00 O ATOM 0 H GLU A 97 -14.385 7.136 5.749 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.479 9.580 6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.931 6.808 8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.627 8.149 9.021 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.869 6.782 6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.348 6.551 8.277 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.783 8.108 8.184 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.478 8.373 8.764 1.00 0.00 C ATOM 1584 C GLY A 98 -10.879 7.142 9.401 1.00 0.00 C ATOM 1585 O GLY A 98 -11.491 6.074 9.405 1.00 0.00 O ATOM 0 H GLY A 98 -13.076 7.132 8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.806 8.743 7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.567 9.161 9.512 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.683 7.294 9.949 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.989 6.182 10.577 1.00 0.00 C ATOM 1591 C ILE A 99 -9.187 6.176 12.085 1.00 0.00 C ATOM 1592 O ILE A 99 -9.352 7.226 12.708 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.490 6.221 10.253 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.285 6.621 8.789 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.860 4.866 10.541 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.846 6.936 8.444 1.00 0.00 C ATOM 0 H ILE A 99 -9.173 8.177 9.971 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.419 5.266 10.172 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.003 6.964 10.884 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.635 5.812 8.147 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.902 7.492 8.569 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.796 4.903 10.308 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.993 4.620 11.594 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.340 4.104 9.927 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.776 7.211 7.392 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.497 7.765 9.060 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.227 6.059 8.632 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.170 4.981 12.663 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.360 4.814 14.094 1.00 0.00 C ATOM 1610 C LYS A 100 -8.342 3.833 14.668 1.00 0.00 C ATOM 1611 O LYS A 100 -7.716 3.074 13.930 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.778 4.313 14.353 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.849 5.197 13.734 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.224 4.557 13.822 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.890 4.485 12.457 1.00 0.00 C ATOM 1616 NZ LYS A 100 -15.234 3.847 12.527 1.00 0.00 N ATOM 0 H LYS A 100 -9.025 4.108 12.155 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.213 5.775 14.587 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.877 3.302 13.957 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.944 4.252 15.429 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.863 6.162 14.242 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.603 5.390 12.690 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.134 3.554 14.238 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.851 5.130 14.505 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.986 5.490 12.047 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.256 3.921 11.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.654 3.817 11.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -15.140 2.879 12.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.848 4.399 13.160 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.160 3.842 15.998 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.218 2.945 16.672 1.00 0.00 C ATOM 1632 C PRO A 101 -7.630 1.486 16.532 1.00 0.00 C ATOM 1633 O PRO A 101 -6.786 0.596 16.419 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.285 3.382 18.138 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.593 4.085 18.274 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.860 4.724 16.945 1.00 0.00 C ATOM 0 HA PRO A 101 -6.216 3.008 16.248 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.227 2.524 18.808 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.455 4.041 18.391 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.386 3.385 18.537 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.553 4.833 19.066 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.928 4.777 16.731 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.476 5.743 16.904 1.00 0.00 H new ATOM 1644 N GLU A 102 -8.937 1.252 16.540 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.478 -0.096 16.408 1.00 0.00 C ATOM 1646 C GLU A 102 -9.171 -0.676 15.032 1.00 0.00 C ATOM 1647 O GLU A 102 -9.131 -1.895 14.857 1.00 0.00 O ATOM 1648 CB GLU A 102 -10.984 -0.086 16.646 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.706 0.912 15.772 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.204 0.929 16.010 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -13.920 0.163 15.332 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -13.659 1.706 16.876 1.00 0.00 O ATOM 0 H GLU A 102 -9.644 1.981 16.637 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.002 -0.726 17.159 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.384 -1.083 16.459 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.181 0.145 17.693 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.302 1.908 15.956 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.512 0.678 14.725 1.00 0.00 H new ATOM 1659 N ASN A 103 -8.960 0.206 14.056 1.00 0.00 N ATOM 1660 CA ASN A 103 -8.652 -0.217 12.690 1.00 0.00 C ATOM 1661 C ASN A 103 -7.548 -1.266 12.673 1.00 0.00 C ATOM 1662 O ASN A 103 -6.550 -1.144 13.383 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.233 0.985 11.844 1.00 0.00 C ATOM 1664 CG ASN A 103 -9.381 1.934 11.554 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -9.323 2.723 10.613 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -10.441 1.857 12.353 1.00 0.00 N ATOM 0 H ASN A 103 -8.997 1.217 14.185 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.554 -0.660 12.268 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.442 1.528 12.361 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -7.814 0.631 10.902 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.244 2.466 12.195 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.451 1.189 13.124 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.739 -2.302 11.859 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.764 -3.373 11.738 1.00 0.00 C ATOM 1675 C GLU A 104 -5.381 -2.805 11.453 1.00 0.00 C ATOM 1676 O GLU A 104 -5.249 -1.704 10.920 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.182 -4.333 10.625 1.00 0.00 C ATOM 1678 CG GLU A 104 -6.666 -5.745 10.817 1.00 0.00 C ATOM 1679 CD GLU A 104 -7.392 -6.757 9.952 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -8.586 -7.014 10.213 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -6.768 -7.293 9.013 1.00 0.00 O ATOM 0 H GLU A 104 -8.565 -2.419 11.273 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.724 -3.919 12.681 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.270 -4.357 10.567 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.821 -3.949 9.671 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.601 -5.773 10.585 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.772 -6.027 11.865 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.354 -3.563 11.809 1.00 0.00 N ATOM 1689 CA ARG A 105 -2.979 -3.123 11.604 1.00 0.00 C ATOM 1690 C ARG A 105 -2.221 -4.084 10.696 1.00 0.00 C ATOM 1691 O ARG A 105 -2.630 -5.227 10.503 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.256 -3.012 12.953 1.00 0.00 C ATOM 1693 CG ARG A 105 -0.877 -2.377 12.861 1.00 0.00 C ATOM 1694 CD ARG A 105 -0.900 -0.944 13.360 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.306 -0.859 14.760 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.133 0.222 15.515 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -0.561 1.306 15.005 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -1.531 0.221 16.779 1.00 0.00 N ATOM 0 H ARG A 105 -4.445 -4.483 12.240 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.008 -2.146 11.122 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.870 -2.426 13.637 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.159 -4.008 13.385 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.166 -2.958 13.448 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.531 -2.400 11.828 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.090 -0.503 13.242 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.585 -0.358 12.748 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.748 -1.675 15.183 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.253 1.311 14.033 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -0.429 2.134 15.586 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -1.971 -0.610 17.174 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.397 1.051 17.356 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.143 -3.580 10.106 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.270 -4.368 9.247 1.00 0.00 C ATOM 1714 C TYR A 106 0.954 -3.535 8.898 1.00 0.00 C ATOM 1715 O TYR A 106 1.131 -3.092 7.763 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.001 -4.840 7.988 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.185 -5.770 7.117 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.133 -7.133 7.382 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.534 -5.287 6.031 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.612 -7.987 6.590 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.279 -6.134 5.235 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.316 -7.482 5.518 1.00 0.00 C ATOM 1723 OH TYR A 106 2.059 -8.328 4.728 1.00 0.00 O ATOM 0 H TYR A 106 -0.850 -2.609 10.211 1.00 0.00 H new ATOM 0 HA TYR A 106 0.044 -5.266 9.779 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.920 -5.347 8.282 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.291 -3.969 7.400 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.684 -7.532 8.221 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.510 -4.231 5.806 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.642 -9.044 6.810 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.831 -5.741 4.394 1.00 0.00 H new ATOM 0 HH TYR A 106 1.646 -9.217 4.722 1.00 0.00 H new ATOM 1733 N THR A 107 1.784 -3.308 9.909 1.00 0.00 N ATOM 1734 CA THR A 107 2.989 -2.508 9.761 1.00 0.00 C ATOM 1735 C THR A 107 4.191 -3.372 9.399 1.00 0.00 C ATOM 1736 O THR A 107 4.772 -4.037 10.256 1.00 0.00 O ATOM 1737 CB THR A 107 3.286 -1.739 11.063 1.00 0.00 C ATOM 1738 OG1 THR A 107 2.100 -1.080 11.522 1.00 0.00 O ATOM 1739 CG2 THR A 107 4.383 -0.713 10.851 1.00 0.00 C ATOM 0 H THR A 107 1.640 -3.673 10.851 1.00 0.00 H new ATOM 0 HA THR A 107 2.814 -1.801 8.950 1.00 0.00 H new ATOM 0 HB THR A 107 3.621 -2.457 11.811 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.295 -0.595 12.351 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.573 -0.185 11.785 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.294 -1.216 10.527 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.072 0.000 10.088 1.00 0.00 H new ATOM 1747 N LEU A 108 4.560 -3.356 8.122 1.00 0.00 N ATOM 1748 CA LEU A 108 5.692 -4.140 7.645 1.00 0.00 C ATOM 1749 C LEU A 108 6.996 -3.361 7.776 1.00 0.00 C ATOM 1750 O LEU A 108 7.358 -2.581 6.896 1.00 0.00 O ATOM 1751 CB LEU A 108 5.481 -4.556 6.186 1.00 0.00 C ATOM 1752 CG LEU A 108 6.669 -5.269 5.533 1.00 0.00 C ATOM 1753 CD1 LEU A 108 7.112 -6.458 6.371 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.314 -5.712 4.123 1.00 0.00 C ATOM 0 H LEU A 108 4.091 -2.809 7.400 1.00 0.00 H new ATOM 0 HA LEU A 108 5.760 -5.034 8.265 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.611 -5.211 6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.246 -3.666 5.602 1.00 0.00 H new ATOM 0 HG LEU A 108 7.500 -4.566 5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.957 -6.949 5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.410 -6.114 7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.287 -7.164 6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.169 -6.217 3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.467 -6.397 4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.051 -4.841 3.523 1.00 0.00 H new ATOM 1766 N HIS A 109 7.697 -3.577 8.884 1.00 0.00 N ATOM 1767 CA HIS A 109 8.964 -2.902 9.126 1.00 0.00 C ATOM 1768 C HIS A 109 10.081 -3.548 8.316 1.00 0.00 C ATOM 1769 O HIS A 109 10.073 -4.756 8.078 1.00 0.00 O ATOM 1770 CB HIS A 109 9.301 -2.918 10.611 1.00 0.00 C ATOM 1771 CG HIS A 109 8.666 -1.804 11.379 1.00 0.00 C ATOM 1772 ND1 HIS A 109 9.350 -0.674 11.776 1.00 0.00 N ATOM 1773 CD2 HIS A 109 7.399 -1.651 11.827 1.00 0.00 C ATOM 1774 CE1 HIS A 109 8.530 0.126 12.435 1.00 0.00 C ATOM 1775 NE2 HIS A 109 7.341 -0.443 12.479 1.00 0.00 N ATOM 0 H HIS A 109 7.409 -4.214 9.627 1.00 0.00 H new ATOM 0 HA HIS A 109 8.867 -1.865 8.806 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.983 -3.870 11.037 1.00 0.00 H new ATOM 0 HB3 HIS A 109 10.383 -2.860 10.731 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.585 -2.348 11.697 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.789 1.082 12.864 1.00 0.00 H new ATOM 0 HE2 HIS A 109 6.512 -0.050 12.925 1.00 0.00 H new ATOM 1784 N LEU A 110 11.045 -2.732 7.911 1.00 0.00 N ATOM 1785 CA LEU A 110 12.162 -3.199 7.098 1.00 0.00 C ATOM 1786 C LEU A 110 13.447 -2.447 7.427 1.00 0.00 C ATOM 1787 O LEU A 110 13.587 -1.270 7.095 1.00 0.00 O ATOM 1788 CB LEU A 110 11.850 -3.009 5.610 1.00 0.00 C ATOM 1789 CG LEU A 110 10.650 -3.796 5.077 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.364 -3.406 3.635 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.897 -5.293 5.186 1.00 0.00 C ATOM 0 H LEU A 110 11.076 -1.737 8.134 1.00 0.00 H new ATOM 0 HA LEU A 110 12.305 -4.256 7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.676 -1.949 5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.731 -3.292 5.034 1.00 0.00 H new ATOM 0 HG LEU A 110 9.779 -3.551 5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.508 -3.973 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.142 -2.340 3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.236 -3.625 3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.032 -5.833 4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.779 -5.560 4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.057 -5.560 6.231 1.00 0.00 H new ATOM 1803 N ASN A 111 14.380 -3.126 8.082 1.00 0.00 N ATOM 1804 CA ASN A 111 15.661 -2.523 8.413 1.00 0.00 C ATOM 1805 C ASN A 111 16.588 -2.662 7.215 1.00 0.00 C ATOM 1806 O ASN A 111 17.554 -3.426 7.239 1.00 0.00 O ATOM 1807 CB ASN A 111 16.271 -3.189 9.647 1.00 0.00 C ATOM 1808 CG ASN A 111 17.624 -2.609 10.012 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.889 -1.429 9.782 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.489 -3.440 10.582 1.00 0.00 N ATOM 0 H ASN A 111 14.273 -4.091 8.393 1.00 0.00 H new ATOM 0 HA ASN A 111 15.518 -1.468 8.646 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.591 -3.075 10.491 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.375 -4.259 9.464 1.00 0.00 H new ATOM 0 HD21 ASN A 111 19.416 -3.108 10.848 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.226 -4.411 10.754 1.00 0.00 H new ATOM 1817 N VAL A 112 16.265 -1.918 6.163 1.00 0.00 N ATOM 1818 CA VAL A 112 17.023 -1.954 4.918 1.00 0.00 C ATOM 1819 C VAL A 112 18.527 -1.896 5.167 1.00 0.00 C ATOM 1820 O VAL A 112 18.991 -1.210 6.078 1.00 0.00 O ATOM 1821 CB VAL A 112 16.625 -0.793 3.988 1.00 0.00 C ATOM 1822 CG1 VAL A 112 17.055 -1.085 2.563 1.00 0.00 C ATOM 1823 CG2 VAL A 112 15.128 -0.534 4.055 1.00 0.00 C ATOM 0 H VAL A 112 15.473 -1.275 6.149 1.00 0.00 H new ATOM 0 HA VAL A 112 16.782 -2.903 4.438 1.00 0.00 H new ATOM 0 HB VAL A 112 17.138 0.107 4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.766 -0.255 1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 112 18.137 -1.212 2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.571 -1.998 2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.871 0.290 3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.590 -1.430 3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.849 -0.276 5.077 1.00 0.00 H new ATOM 1833 N LYS A 113 19.280 -2.623 4.347 1.00 0.00 N ATOM 1834 CA LYS A 113 20.731 -2.660 4.467 1.00 0.00 C ATOM 1835 C LYS A 113 21.368 -1.471 3.753 1.00 0.00 C ATOM 1836 O LYS A 113 21.646 -1.588 2.541 1.00 0.00 O ATOM 1837 CB LYS A 113 21.268 -3.969 3.888 1.00 0.00 C ATOM 1838 CG LYS A 113 20.785 -5.202 4.631 1.00 0.00 C ATOM 1839 CD LYS A 113 21.389 -5.285 6.024 1.00 0.00 C ATOM 1840 CE LYS A 113 20.873 -6.495 6.783 1.00 0.00 C ATOM 1841 NZ LYS A 113 21.219 -7.771 6.099 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.585 -0.433 4.414 1.00 0.00 O ATOM 0 H LYS A 113 18.906 -3.196 3.590 1.00 0.00 H new ATOM 0 HA LYS A 113 20.990 -2.601 5.524 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.970 -4.044 2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.358 -3.946 3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.698 -5.181 4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 113 21.048 -6.096 4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.475 -5.338 5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 113 21.152 -4.378 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 113 21.292 -6.498 7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 113 19.791 -6.422 6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 21.017 -8.570 6.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 20.652 -7.865 5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 22.230 -7.770 5.854 1.00 0.00 H new TER 1856 LYS A 113