USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 682 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 80 ASN : amide:sc= -0.185 X(o=-0.43,f=-0.36) USER MOD Set 1.2: A 81 HIS : no HD1:sc= -0.242 X(o=-0.43,f=-0.36) USER MOD Set 2.1: A 58 GLN : amide:sc= 0.346 K(o=0.88,f=-4.4) USER MOD Set 2.2: A 62 TYR OH : rot -164:sc= 0.537 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -55:sc= 0.00308 USER MOD Single : A -1 MET CE :methyl 152:sc= -0.134 (180deg=-0.775) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 101:sc= 1.23 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -170:sc= 0 USER MOD Single : A 16 SER OG : rot 133:sc= 0.796 USER MOD Single : A 17 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.169) USER MOD Single : A 22 TYR OH : rot 30:sc= -0.103 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -94:sc= -0.0972 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 1:sc= 1.71 USER MOD Single : A 43 SER OG : rot 16:sc= 0.0571! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= -1.1 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 60.076 -21.752 31.167 1.00 0.00 N ATOM 2 CA GLY A -3 61.210 -20.882 31.590 1.00 0.00 C ATOM 3 C GLY A -3 61.071 -19.507 30.934 1.00 0.00 C ATOM 4 O GLY A -3 60.323 -18.664 31.398 1.00 0.00 O ATOM 0 H1 GLY A -3 60.170 -22.687 31.613 1.00 0.00 H new ATOM 0 H2 GLY A -3 59.177 -21.318 31.460 1.00 0.00 H new ATOM 0 H3 GLY A -3 60.088 -21.859 30.133 1.00 0.00 H new ATOM 0 HA2 GLY A -3 61.219 -20.780 32.675 1.00 0.00 H new ATOM 0 HA3 GLY A -3 62.158 -21.338 31.305 1.00 0.00 H new ATOM 10 N ALA A -2 61.787 -19.276 29.860 1.00 0.00 N ATOM 11 CA ALA A -2 61.710 -17.954 29.166 1.00 0.00 C ATOM 12 C ALA A -2 60.937 -18.090 27.851 1.00 0.00 C ATOM 13 O ALA A -2 60.948 -19.133 27.222 1.00 0.00 O ATOM 14 CB ALA A -2 63.164 -17.565 28.895 1.00 0.00 C ATOM 0 H ALA A -2 62.423 -19.949 29.434 1.00 0.00 H new ATOM 0 HA ALA A -2 61.191 -17.204 29.763 1.00 0.00 H new ATOM 0 HB1 ALA A -2 63.194 -16.602 28.385 1.00 0.00 H new ATOM 0 HB2 ALA A -2 63.703 -17.493 29.839 1.00 0.00 H new ATOM 0 HB3 ALA A -2 63.632 -18.323 28.267 1.00 0.00 H new ATOM 20 N MET A -1 60.267 -17.042 27.435 1.00 0.00 N ATOM 21 CA MET A -1 59.499 -17.090 26.154 1.00 0.00 C ATOM 22 C MET A -1 60.309 -16.440 25.029 1.00 0.00 C ATOM 23 O MET A -1 61.282 -15.751 25.275 1.00 0.00 O ATOM 24 CB MET A -1 58.223 -16.294 26.426 1.00 0.00 C ATOM 25 CG MET A -1 57.355 -17.044 27.438 1.00 0.00 C ATOM 26 SD MET A -1 55.766 -16.195 27.619 1.00 0.00 S ATOM 27 CE MET A -1 55.046 -16.720 26.043 1.00 0.00 C ATOM 0 H MET A -1 60.220 -16.152 27.931 1.00 0.00 H new ATOM 0 HA MET A -1 59.282 -18.111 25.840 1.00 0.00 H new ATOM 0 HB2 MET A -1 58.474 -15.305 26.810 1.00 0.00 H new ATOM 0 HB3 MET A -1 57.671 -16.145 25.498 1.00 0.00 H new ATOM 0 HG2 MET A -1 57.195 -18.070 27.106 1.00 0.00 H new ATOM 0 HG3 MET A -1 57.863 -17.096 28.401 1.00 0.00 H new ATOM 0 HE1 MET A -1 53.960 -16.754 26.132 1.00 0.00 H new ATOM 0 HE2 MET A -1 55.324 -16.012 25.262 1.00 0.00 H new ATOM 0 HE3 MET A -1 55.420 -17.711 25.784 1.00 0.00 H new ATOM 37 N ALA A 0 59.911 -16.654 23.798 1.00 0.00 N ATOM 38 CA ALA A 0 60.650 -16.050 22.647 1.00 0.00 C ATOM 39 C ALA A 0 59.938 -14.785 22.156 1.00 0.00 C ATOM 40 O ALA A 0 59.999 -14.447 20.987 1.00 0.00 O ATOM 41 CB ALA A 0 60.638 -17.128 21.562 1.00 0.00 C ATOM 0 H ALA A 0 59.104 -17.223 23.541 1.00 0.00 H new ATOM 0 HA ALA A 0 61.663 -15.753 22.919 1.00 0.00 H new ATOM 0 HB1 ALA A 0 61.163 -16.762 20.680 1.00 0.00 H new ATOM 0 HB2 ALA A 0 61.135 -18.024 21.934 1.00 0.00 H new ATOM 0 HB3 ALA A 0 59.608 -17.367 21.298 1.00 0.00 H new ATOM 47 N MET A 1 59.265 -14.085 23.039 1.00 0.00 N ATOM 48 CA MET A 1 58.558 -12.830 22.636 1.00 0.00 C ATOM 49 C MET A 1 59.149 -11.632 23.385 1.00 0.00 C ATOM 50 O MET A 1 58.819 -11.384 24.530 1.00 0.00 O ATOM 51 CB MET A 1 57.099 -13.051 23.040 1.00 0.00 C ATOM 52 CG MET A 1 56.234 -11.923 22.475 1.00 0.00 C ATOM 53 SD MET A 1 55.969 -12.196 20.703 1.00 0.00 S ATOM 54 CE MET A 1 54.172 -11.982 20.700 1.00 0.00 C ATOM 0 H MET A 1 59.176 -14.331 24.025 1.00 0.00 H new ATOM 0 HA MET A 1 58.657 -12.620 21.571 1.00 0.00 H new ATOM 0 HB2 MET A 1 56.749 -14.013 22.666 1.00 0.00 H new ATOM 0 HB3 MET A 1 57.012 -13.080 24.126 1.00 0.00 H new ATOM 0 HG2 MET A 1 55.277 -11.888 22.996 1.00 0.00 H new ATOM 0 HG3 MET A 1 56.720 -10.961 22.637 1.00 0.00 H new ATOM 0 HE1 MET A 1 53.792 -12.111 19.687 1.00 0.00 H new ATOM 0 HE2 MET A 1 53.716 -12.724 21.356 1.00 0.00 H new ATOM 0 HE3 MET A 1 53.924 -10.982 21.056 1.00 0.00 H new ATOM 64 N SER A 2 60.017 -10.888 22.743 1.00 0.00 N ATOM 65 CA SER A 2 60.651 -9.713 23.414 1.00 0.00 C ATOM 66 C SER A 2 61.102 -8.685 22.370 1.00 0.00 C ATOM 67 O SER A 2 62.104 -8.014 22.543 1.00 0.00 O ATOM 68 CB SER A 2 61.854 -10.287 24.159 1.00 0.00 C ATOM 69 OG SER A 2 62.220 -9.405 25.211 1.00 0.00 O ATOM 0 H SER A 2 60.314 -11.046 21.780 1.00 0.00 H new ATOM 0 HA SER A 2 59.963 -9.199 24.085 1.00 0.00 H new ATOM 0 HB2 SER A 2 61.611 -11.270 24.562 1.00 0.00 H new ATOM 0 HB3 SER A 2 62.691 -10.421 23.473 1.00 0.00 H new ATOM 0 HG SER A 2 62.380 -8.510 24.846 1.00 0.00 H new ATOM 75 N GLY A 3 60.370 -8.561 21.290 1.00 0.00 N ATOM 76 CA GLY A 3 60.747 -7.584 20.226 1.00 0.00 C ATOM 77 C GLY A 3 59.483 -6.972 19.619 1.00 0.00 C ATOM 78 O GLY A 3 58.711 -7.649 18.965 1.00 0.00 O ATOM 0 H GLY A 3 59.524 -9.098 21.100 1.00 0.00 H new ATOM 0 HA2 GLY A 3 61.377 -6.800 20.645 1.00 0.00 H new ATOM 0 HA3 GLY A 3 61.330 -8.082 19.451 1.00 0.00 H new ATOM 82 N GLY A 4 59.269 -5.696 19.833 1.00 0.00 N ATOM 83 CA GLY A 4 58.067 -5.018 19.260 1.00 0.00 C ATOM 84 C GLY A 4 58.494 -4.111 18.104 1.00 0.00 C ATOM 85 O GLY A 4 57.912 -4.140 17.035 1.00 0.00 O ATOM 0 H GLY A 4 59.880 -5.093 20.384 1.00 0.00 H new ATOM 0 HA2 GLY A 4 57.351 -5.761 18.908 1.00 0.00 H new ATOM 0 HA3 GLY A 4 57.566 -4.432 20.030 1.00 0.00 H new ATOM 89 N LEU A 5 59.507 -3.305 18.316 1.00 0.00 N ATOM 90 CA LEU A 5 59.989 -2.392 17.232 1.00 0.00 C ATOM 91 C LEU A 5 60.872 -3.175 16.245 1.00 0.00 C ATOM 92 O LEU A 5 61.500 -4.143 16.629 1.00 0.00 O ATOM 93 CB LEU A 5 60.813 -1.308 17.947 1.00 0.00 C ATOM 94 CG LEU A 5 59.912 -0.163 18.453 1.00 0.00 C ATOM 95 CD1 LEU A 5 59.221 0.530 17.274 1.00 0.00 C ATOM 96 CD2 LEU A 5 58.851 -0.709 19.417 1.00 0.00 C ATOM 0 H LEU A 5 60.021 -3.240 19.194 1.00 0.00 H new ATOM 0 HA LEU A 5 59.167 -1.960 16.661 1.00 0.00 H new ATOM 0 HB2 LEU A 5 61.349 -1.750 18.787 1.00 0.00 H new ATOM 0 HB3 LEU A 5 61.563 -0.909 17.264 1.00 0.00 H new ATOM 0 HG LEU A 5 60.537 0.560 18.978 1.00 0.00 H new ATOM 0 HD11 LEU A 5 58.588 1.336 17.646 1.00 0.00 H new ATOM 0 HD12 LEU A 5 59.974 0.941 16.601 1.00 0.00 H new ATOM 0 HD13 LEU A 5 58.609 -0.193 16.735 1.00 0.00 H new ATOM 0 HD21 LEU A 5 58.222 0.109 19.767 1.00 0.00 H new ATOM 0 HD22 LEU A 5 58.235 -1.445 18.901 1.00 0.00 H new ATOM 0 HD23 LEU A 5 59.341 -1.179 20.269 1.00 0.00 H new ATOM 108 N PRO A 6 60.900 -2.736 14.999 1.00 0.00 N ATOM 109 CA PRO A 6 61.722 -3.430 13.971 1.00 0.00 C ATOM 110 C PRO A 6 63.215 -3.265 14.281 1.00 0.00 C ATOM 111 O PRO A 6 63.659 -2.201 14.673 1.00 0.00 O ATOM 112 CB PRO A 6 61.357 -2.727 12.662 1.00 0.00 C ATOM 113 CG PRO A 6 60.787 -1.405 13.066 1.00 0.00 C ATOM 114 CD PRO A 6 60.185 -1.578 14.435 1.00 0.00 C ATOM 0 HA PRO A 6 61.533 -4.503 13.932 1.00 0.00 H new ATOM 0 HB2 PRO A 6 62.234 -2.599 12.027 1.00 0.00 H new ATOM 0 HB3 PRO A 6 60.633 -3.309 12.092 1.00 0.00 H new ATOM 0 HG2 PRO A 6 61.563 -0.640 13.081 1.00 0.00 H new ATOM 0 HG3 PRO A 6 60.031 -1.078 12.352 1.00 0.00 H new ATOM 0 HD2 PRO A 6 60.324 -0.687 15.047 1.00 0.00 H new ATOM 0 HD3 PRO A 6 59.112 -1.761 14.378 1.00 0.00 H new ATOM 122 N GLU A 7 63.987 -4.313 14.108 1.00 0.00 N ATOM 123 CA GLU A 7 65.456 -4.231 14.401 1.00 0.00 C ATOM 124 C GLU A 7 66.141 -3.250 13.442 1.00 0.00 C ATOM 125 O GLU A 7 66.218 -3.487 12.251 1.00 0.00 O ATOM 126 CB GLU A 7 65.994 -5.648 14.178 1.00 0.00 C ATOM 127 CG GLU A 7 65.405 -6.592 15.228 1.00 0.00 C ATOM 128 CD GLU A 7 65.994 -7.991 15.047 1.00 0.00 C ATOM 129 OE1 GLU A 7 65.582 -8.670 14.121 1.00 0.00 O ATOM 130 OE2 GLU A 7 66.847 -8.361 15.836 1.00 0.00 O ATOM 0 H GLU A 7 63.664 -5.222 13.777 1.00 0.00 H new ATOM 0 HA GLU A 7 65.646 -3.875 15.414 1.00 0.00 H new ATOM 0 HB2 GLU A 7 65.734 -5.993 13.177 1.00 0.00 H new ATOM 0 HB3 GLU A 7 67.082 -5.649 14.243 1.00 0.00 H new ATOM 0 HG2 GLU A 7 65.624 -6.221 16.229 1.00 0.00 H new ATOM 0 HG3 GLU A 7 64.320 -6.628 15.132 1.00 0.00 H new ATOM 137 N LEU A 8 66.637 -2.150 13.959 1.00 0.00 N ATOM 138 CA LEU A 8 67.347 -1.152 13.091 1.00 0.00 C ATOM 139 C LEU A 8 68.629 -1.759 12.512 1.00 0.00 C ATOM 140 O LEU A 8 69.124 -2.760 12.999 1.00 0.00 O ATOM 141 CB LEU A 8 67.695 0.018 14.021 1.00 0.00 C ATOM 142 CG LEU A 8 66.410 0.672 14.537 1.00 0.00 C ATOM 143 CD1 LEU A 8 66.752 1.657 15.656 1.00 0.00 C ATOM 144 CD2 LEU A 8 65.724 1.425 13.393 1.00 0.00 C ATOM 0 H LEU A 8 66.581 -1.899 14.946 1.00 0.00 H new ATOM 0 HA LEU A 8 66.730 -0.840 12.248 1.00 0.00 H new ATOM 0 HB2 LEU A 8 68.294 -0.338 14.859 1.00 0.00 H new ATOM 0 HB3 LEU A 8 68.298 0.752 13.487 1.00 0.00 H new ATOM 0 HG LEU A 8 65.741 -0.099 14.920 1.00 0.00 H new ATOM 0 HD11 LEU A 8 65.837 2.122 16.023 1.00 0.00 H new ATOM 0 HD12 LEU A 8 67.241 1.125 16.472 1.00 0.00 H new ATOM 0 HD13 LEU A 8 67.421 2.426 15.271 1.00 0.00 H new ATOM 0 HD21 LEU A 8 64.809 1.890 13.761 1.00 0.00 H new ATOM 0 HD22 LEU A 8 66.394 2.195 13.010 1.00 0.00 H new ATOM 0 HD23 LEU A 8 65.479 0.727 12.593 1.00 0.00 H new ATOM 156 N GLY A 9 69.165 -1.160 11.475 1.00 0.00 N ATOM 157 CA GLY A 9 70.440 -1.671 10.879 1.00 0.00 C ATOM 158 C GLY A 9 70.190 -2.852 9.927 1.00 0.00 C ATOM 159 O GLY A 9 71.117 -3.367 9.330 1.00 0.00 O ATOM 0 H GLY A 9 68.774 -0.338 11.015 1.00 0.00 H new ATOM 0 HA2 GLY A 9 70.937 -0.866 10.337 1.00 0.00 H new ATOM 0 HA3 GLY A 9 71.115 -1.983 11.676 1.00 0.00 H new ATOM 163 N SER A 10 68.956 -3.288 9.775 1.00 0.00 N ATOM 164 CA SER A 10 68.669 -4.457 8.874 1.00 0.00 C ATOM 165 C SER A 10 69.104 -4.145 7.436 1.00 0.00 C ATOM 166 O SER A 10 69.140 -2.999 7.030 1.00 0.00 O ATOM 167 CB SER A 10 67.154 -4.658 8.937 1.00 0.00 C ATOM 168 OG SER A 10 66.779 -4.988 10.267 1.00 0.00 O ATOM 0 H SER A 10 68.139 -2.886 10.234 1.00 0.00 H new ATOM 0 HA SER A 10 69.211 -5.350 9.186 1.00 0.00 H new ATOM 0 HB2 SER A 10 66.642 -3.751 8.617 1.00 0.00 H new ATOM 0 HB3 SER A 10 66.852 -5.452 8.254 1.00 0.00 H new ATOM 0 HG SER A 10 66.422 -4.192 10.713 1.00 0.00 H new ATOM 174 N LYS A 11 69.434 -5.158 6.672 1.00 0.00 N ATOM 175 CA LYS A 11 69.868 -4.926 5.257 1.00 0.00 C ATOM 176 C LYS A 11 68.645 -4.738 4.346 1.00 0.00 C ATOM 177 O LYS A 11 67.750 -5.564 4.313 1.00 0.00 O ATOM 178 CB LYS A 11 70.684 -6.172 4.864 1.00 0.00 C ATOM 179 CG LYS A 11 69.792 -7.424 4.813 1.00 0.00 C ATOM 180 CD LYS A 11 70.669 -8.668 4.654 1.00 0.00 C ATOM 181 CE LYS A 11 69.792 -9.871 4.297 1.00 0.00 C ATOM 182 NZ LYS A 11 70.534 -11.053 4.817 1.00 0.00 N ATOM 0 H LYS A 11 69.422 -6.135 6.966 1.00 0.00 H new ATOM 0 HA LYS A 11 70.466 -4.021 5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 11 71.150 -6.014 3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 11 71.490 -6.325 5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 11 69.198 -7.498 5.724 1.00 0.00 H new ATOM 0 HG3 LYS A 11 69.091 -7.351 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 11 71.413 -8.504 3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 11 71.213 -8.863 5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 11 68.806 -9.791 4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 11 69.639 -9.943 3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 69.996 -11.919 4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 71.466 -11.107 4.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 70.659 -10.960 5.845 1.00 0.00 H new ATOM 196 N ILE A 12 68.605 -3.653 3.610 1.00 0.00 N ATOM 197 CA ILE A 12 67.445 -3.398 2.699 1.00 0.00 C ATOM 198 C ILE A 12 67.939 -3.185 1.262 1.00 0.00 C ATOM 199 O ILE A 12 68.987 -2.604 1.033 1.00 0.00 O ATOM 200 CB ILE A 12 66.769 -2.128 3.243 1.00 0.00 C ATOM 201 CG1 ILE A 12 66.285 -2.379 4.678 1.00 0.00 C ATOM 202 CG2 ILE A 12 65.564 -1.762 2.365 1.00 0.00 C ATOM 203 CD1 ILE A 12 65.834 -1.059 5.308 1.00 0.00 C ATOM 0 H ILE A 12 69.327 -2.932 3.601 1.00 0.00 H new ATOM 0 HA ILE A 12 66.750 -4.237 2.672 1.00 0.00 H new ATOM 0 HB ILE A 12 67.489 -1.310 3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 12 65.461 -3.092 4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 12 67.086 -2.821 5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 12 65.089 -0.862 2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 12 65.899 -1.582 1.344 1.00 0.00 H new ATOM 0 HG23 ILE A 12 64.846 -2.582 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 12 65.491 -1.240 6.327 1.00 0.00 H new ATOM 0 HD12 ILE A 12 66.670 -0.360 5.326 1.00 0.00 H new ATOM 0 HD13 ILE A 12 65.019 -0.635 4.721 1.00 0.00 H new ATOM 215 N SER A 13 67.182 -3.659 0.302 1.00 0.00 N ATOM 216 CA SER A 13 67.503 -3.399 -1.132 1.00 0.00 C ATOM 217 C SER A 13 66.593 -2.288 -1.662 1.00 0.00 C ATOM 218 O SER A 13 65.410 -2.265 -1.386 1.00 0.00 O ATOM 219 CB SER A 13 67.221 -4.718 -1.850 1.00 0.00 C ATOM 220 OG SER A 13 67.610 -4.603 -3.212 1.00 0.00 O ATOM 0 H SER A 13 66.345 -4.222 0.456 1.00 0.00 H new ATOM 0 HA SER A 13 68.533 -3.076 -1.282 1.00 0.00 H new ATOM 0 HB2 SER A 13 67.768 -5.530 -1.371 1.00 0.00 H new ATOM 0 HB3 SER A 13 66.161 -4.963 -1.782 1.00 0.00 H new ATOM 0 HG SER A 13 67.289 -5.383 -3.711 1.00 0.00 H new ATOM 226 N LEU A 14 67.140 -1.372 -2.418 1.00 0.00 N ATOM 227 CA LEU A 14 66.389 -0.131 -2.773 1.00 0.00 C ATOM 228 C LEU A 14 66.525 0.162 -4.271 1.00 0.00 C ATOM 229 O LEU A 14 67.618 0.213 -4.799 1.00 0.00 O ATOM 230 CB LEU A 14 67.065 0.959 -1.940 1.00 0.00 C ATOM 231 CG LEU A 14 66.167 2.193 -1.859 1.00 0.00 C ATOM 232 CD1 LEU A 14 64.942 1.882 -0.998 1.00 0.00 C ATOM 233 CD2 LEU A 14 66.953 3.341 -1.224 1.00 0.00 C ATOM 0 H LEU A 14 68.081 -1.431 -2.807 1.00 0.00 H new ATOM 0 HA LEU A 14 65.320 -0.206 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 14 67.273 0.585 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 14 68.023 1.226 -2.386 1.00 0.00 H new ATOM 0 HG LEU A 14 65.842 2.475 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.303 2.764 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 14 64.384 1.058 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 14 65.264 1.603 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 14 66.319 4.226 -1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 14 67.272 3.053 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 14 67.829 3.564 -1.834 1.00 0.00 H new ATOM 245 N ILE A 15 65.422 0.356 -4.958 1.00 0.00 N ATOM 246 CA ILE A 15 65.480 0.608 -6.434 1.00 0.00 C ATOM 247 C ILE A 15 65.134 2.076 -6.722 1.00 0.00 C ATOM 248 O ILE A 15 64.058 2.544 -6.378 1.00 0.00 O ATOM 249 CB ILE A 15 64.430 -0.332 -7.051 1.00 0.00 C ATOM 250 CG1 ILE A 15 64.772 -1.791 -6.713 1.00 0.00 C ATOM 251 CG2 ILE A 15 64.416 -0.165 -8.576 1.00 0.00 C ATOM 252 CD1 ILE A 15 63.590 -2.693 -7.074 1.00 0.00 C ATOM 0 H ILE A 15 64.483 0.350 -4.559 1.00 0.00 H new ATOM 0 HA ILE A 15 66.471 0.423 -6.849 1.00 0.00 H new ATOM 0 HB ILE A 15 63.451 -0.081 -6.643 1.00 0.00 H new ATOM 0 HG12 ILE A 15 65.661 -2.103 -7.261 1.00 0.00 H new ATOM 0 HG13 ILE A 15 65.003 -1.884 -5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 15 63.671 -0.833 -9.008 1.00 0.00 H new ATOM 0 HG22 ILE A 15 64.168 0.866 -8.827 1.00 0.00 H new ATOM 0 HG23 ILE A 15 65.399 -0.410 -8.978 1.00 0.00 H new ATOM 0 HD11 ILE A 15 63.835 -3.727 -6.833 1.00 0.00 H new ATOM 0 HD12 ILE A 15 62.712 -2.387 -6.506 1.00 0.00 H new ATOM 0 HD13 ILE A 15 63.380 -2.608 -8.140 1.00 0.00 H new ATOM 264 N SER A 16 66.043 2.793 -7.346 1.00 0.00 N ATOM 265 CA SER A 16 65.799 4.239 -7.649 1.00 0.00 C ATOM 266 C SER A 16 65.233 4.421 -9.064 1.00 0.00 C ATOM 267 O SER A 16 65.422 3.580 -9.930 1.00 0.00 O ATOM 268 CB SER A 16 67.177 4.891 -7.551 1.00 0.00 C ATOM 269 OG SER A 16 67.763 4.570 -6.296 1.00 0.00 O ATOM 0 H SER A 16 66.946 2.435 -7.659 1.00 0.00 H new ATOM 0 HA SER A 16 65.072 4.678 -6.965 1.00 0.00 H new ATOM 0 HB2 SER A 16 67.815 4.542 -8.363 1.00 0.00 H new ATOM 0 HB3 SER A 16 67.088 5.972 -7.658 1.00 0.00 H new ATOM 0 HG SER A 16 68.687 4.274 -6.433 1.00 0.00 H new ATOM 275 N LYS A 17 64.562 5.532 -9.300 1.00 0.00 N ATOM 276 CA LYS A 17 63.835 5.758 -10.602 1.00 0.00 C ATOM 277 C LYS A 17 64.748 5.610 -11.829 1.00 0.00 C ATOM 278 O LYS A 17 64.271 5.558 -12.949 1.00 0.00 O ATOM 279 CB LYS A 17 63.312 7.194 -10.520 1.00 0.00 C ATOM 280 CG LYS A 17 62.063 7.234 -9.638 1.00 0.00 C ATOM 281 CD LYS A 17 61.463 8.641 -9.664 1.00 0.00 C ATOM 282 CE LYS A 17 60.193 8.672 -8.812 1.00 0.00 C ATOM 283 NZ LYS A 17 59.134 8.083 -9.679 1.00 0.00 N ATOM 0 H LYS A 17 64.486 6.303 -8.636 1.00 0.00 H new ATOM 0 HA LYS A 17 63.047 5.016 -10.729 1.00 0.00 H new ATOM 0 HB2 LYS A 17 64.081 7.849 -10.110 1.00 0.00 H new ATOM 0 HB3 LYS A 17 63.077 7.564 -11.518 1.00 0.00 H new ATOM 0 HG2 LYS A 17 61.331 6.509 -9.993 1.00 0.00 H new ATOM 0 HG3 LYS A 17 62.318 6.955 -8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 17 62.186 9.363 -9.284 1.00 0.00 H new ATOM 0 HD3 LYS A 17 61.233 8.930 -10.689 1.00 0.00 H new ATOM 0 HE2 LYS A 17 60.318 8.096 -7.895 1.00 0.00 H new ATOM 0 HE3 LYS A 17 59.940 9.690 -8.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 58.384 8.786 -9.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 59.547 7.806 -10.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 58.730 7.245 -9.213 1.00 0.00 H new ATOM 297 N ALA A 18 66.045 5.544 -11.641 1.00 0.00 N ATOM 298 CA ALA A 18 66.971 5.382 -12.803 1.00 0.00 C ATOM 299 C ALA A 18 67.216 3.895 -13.090 1.00 0.00 C ATOM 300 O ALA A 18 68.191 3.536 -13.721 1.00 0.00 O ATOM 301 CB ALA A 18 68.273 6.061 -12.368 1.00 0.00 C ATOM 0 H ALA A 18 66.501 5.596 -10.730 1.00 0.00 H new ATOM 0 HA ALA A 18 66.564 5.818 -13.715 1.00 0.00 H new ATOM 0 HB1 ALA A 18 69.008 5.985 -13.169 1.00 0.00 H new ATOM 0 HB2 ALA A 18 68.080 7.111 -12.150 1.00 0.00 H new ATOM 0 HB3 ALA A 18 68.659 5.570 -11.475 1.00 0.00 H new ATOM 307 N ASP A 19 66.334 3.026 -12.628 1.00 0.00 N ATOM 308 CA ASP A 19 66.557 1.545 -12.752 1.00 0.00 C ATOM 309 C ASP A 19 67.914 1.173 -12.150 1.00 0.00 C ATOM 310 O ASP A 19 68.590 0.275 -12.620 1.00 0.00 O ATOM 311 CB ASP A 19 66.509 1.223 -14.253 1.00 0.00 C ATOM 312 CG ASP A 19 65.109 1.516 -14.800 1.00 0.00 C ATOM 313 OD1 ASP A 19 64.147 1.225 -14.108 1.00 0.00 O ATOM 314 OD2 ASP A 19 65.023 2.027 -15.904 1.00 0.00 O ATOM 0 H ASP A 19 65.462 3.286 -12.167 1.00 0.00 H new ATOM 0 HA ASP A 19 65.800 0.974 -12.215 1.00 0.00 H new ATOM 0 HB2 ASP A 19 67.250 1.818 -14.786 1.00 0.00 H new ATOM 0 HB3 ASP A 19 66.763 0.176 -14.418 1.00 0.00 H new ATOM 319 N ILE A 20 68.307 1.868 -11.110 1.00 0.00 N ATOM 320 CA ILE A 20 69.603 1.551 -10.434 1.00 0.00 C ATOM 321 C ILE A 20 69.321 0.777 -9.149 1.00 0.00 C ATOM 322 O ILE A 20 68.364 1.060 -8.452 1.00 0.00 O ATOM 323 CB ILE A 20 70.259 2.902 -10.103 1.00 0.00 C ATOM 324 CG1 ILE A 20 70.392 3.757 -11.370 1.00 0.00 C ATOM 325 CG2 ILE A 20 71.655 2.653 -9.517 1.00 0.00 C ATOM 326 CD1 ILE A 20 70.874 5.163 -10.997 1.00 0.00 C ATOM 0 H ILE A 20 67.785 2.642 -10.700 1.00 0.00 H new ATOM 0 HA ILE A 20 70.253 0.944 -11.064 1.00 0.00 H new ATOM 0 HB ILE A 20 69.636 3.431 -9.382 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.095 3.293 -12.061 1.00 0.00 H new ATOM 0 HG13 ILE A 20 69.432 3.816 -11.883 1.00 0.00 H new ATOM 0 HG21 ILE A 20 72.126 3.607 -9.280 1.00 0.00 H new ATOM 0 HG22 ILE A 20 71.567 2.056 -8.609 1.00 0.00 H new ATOM 0 HG23 ILE A 20 72.265 2.118 -10.245 1.00 0.00 H new ATOM 0 HD11 ILE A 20 70.967 5.767 -11.900 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.155 5.627 -10.322 1.00 0.00 H new ATOM 0 HD13 ILE A 20 71.844 5.096 -10.503 1.00 0.00 H new ATOM 338 N ARG A 21 70.140 -0.189 -8.829 1.00 0.00 N ATOM 339 CA ARG A 21 69.926 -0.963 -7.573 1.00 0.00 C ATOM 340 C ARG A 21 70.960 -0.552 -6.522 1.00 0.00 C ATOM 341 O ARG A 21 72.152 -0.686 -6.723 1.00 0.00 O ATOM 342 CB ARG A 21 70.112 -2.428 -7.971 1.00 0.00 C ATOM 343 CG ARG A 21 69.667 -3.330 -6.819 1.00 0.00 C ATOM 344 CD ARG A 21 69.866 -4.798 -7.212 1.00 0.00 C ATOM 345 NE ARG A 21 69.230 -5.594 -6.113 1.00 0.00 N ATOM 346 CZ ARG A 21 68.907 -6.863 -6.280 1.00 0.00 C ATOM 347 NH1 ARG A 21 69.137 -7.491 -7.411 1.00 0.00 N ATOM 348 NH2 ARG A 21 68.347 -7.511 -5.295 1.00 0.00 N ATOM 0 H ARG A 21 70.947 -0.475 -9.383 1.00 0.00 H new ATOM 0 HA ARG A 21 68.943 -0.785 -7.138 1.00 0.00 H new ATOM 0 HB2 ARG A 21 69.530 -2.649 -8.866 1.00 0.00 H new ATOM 0 HB3 ARG A 21 71.157 -2.620 -8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 21 70.242 -3.102 -5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 21 68.619 -3.145 -6.582 1.00 0.00 H new ATOM 0 HD2 ARG A 21 69.400 -5.014 -8.174 1.00 0.00 H new ATOM 0 HD3 ARG A 21 70.925 -5.039 -7.309 1.00 0.00 H new ATOM 0 HE ARG A 21 69.043 -5.145 -5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 21 69.576 -6.997 -8.188 1.00 0.00 H new ATOM 0 HH12 ARG A 21 68.877 -8.472 -7.512 1.00 0.00 H new ATOM 0 HH21 ARG A 21 68.164 -7.036 -4.411 1.00 0.00 H new ATOM 0 HH22 ARG A 21 68.092 -8.492 -5.410 1.00 0.00 H new ATOM 362 N TYR A 22 70.497 -0.051 -5.404 1.00 0.00 N ATOM 363 CA TYR A 22 71.408 0.256 -4.264 1.00 0.00 C ATOM 364 C TYR A 22 71.068 -0.664 -3.093 1.00 0.00 C ATOM 365 O TYR A 22 69.931 -1.053 -2.920 1.00 0.00 O ATOM 366 CB TYR A 22 71.113 1.709 -3.886 1.00 0.00 C ATOM 367 CG TYR A 22 71.475 2.720 -4.954 1.00 0.00 C ATOM 368 CD1 TYR A 22 72.769 3.293 -4.970 1.00 0.00 C ATOM 369 CD2 TYR A 22 70.517 3.102 -5.929 1.00 0.00 C ATOM 370 CE1 TYR A 22 73.108 4.247 -5.959 1.00 0.00 C ATOM 371 CE2 TYR A 22 70.858 4.057 -6.921 1.00 0.00 C ATOM 372 CZ TYR A 22 72.153 4.629 -6.934 1.00 0.00 C ATOM 373 OH TYR A 22 72.485 5.559 -7.898 1.00 0.00 O ATOM 0 H TYR A 22 69.514 0.160 -5.233 1.00 0.00 H new ATOM 0 HA TYR A 22 72.458 0.111 -4.519 1.00 0.00 H new ATOM 0 HB2 TYR A 22 70.051 1.804 -3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 22 71.658 1.952 -2.974 1.00 0.00 H new ATOM 0 HD1 TYR A 22 73.498 3.002 -4.228 1.00 0.00 H new ATOM 0 HD2 TYR A 22 69.529 2.666 -5.916 1.00 0.00 H new ATOM 0 HE1 TYR A 22 74.095 4.684 -5.971 1.00 0.00 H new ATOM 0 HE2 TYR A 22 70.131 4.347 -7.665 1.00 0.00 H new ATOM 0 HH TYR A 22 73.444 5.503 -8.090 1.00 0.00 H new ATOM 383 N GLU A 23 72.037 -1.016 -2.290 1.00 0.00 N ATOM 384 CA GLU A 23 71.743 -1.823 -1.067 1.00 0.00 C ATOM 385 C GLU A 23 72.596 -1.319 0.093 1.00 0.00 C ATOM 386 O GLU A 23 73.750 -0.991 -0.088 1.00 0.00 O ATOM 387 CB GLU A 23 72.131 -3.256 -1.437 1.00 0.00 C ATOM 388 CG GLU A 23 71.682 -4.212 -0.330 1.00 0.00 C ATOM 389 CD GLU A 23 72.181 -5.626 -0.638 1.00 0.00 C ATOM 390 OE1 GLU A 23 73.328 -5.756 -1.035 1.00 0.00 O ATOM 391 OE2 GLU A 23 71.408 -6.555 -0.471 1.00 0.00 O ATOM 0 H GLU A 23 73.020 -0.780 -2.427 1.00 0.00 H new ATOM 0 HA GLU A 23 70.700 -1.755 -0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 23 71.668 -3.536 -2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 23 73.210 -3.327 -1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 23 72.072 -3.879 0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 23 70.595 -4.208 -0.251 1.00 0.00 H new ATOM 398 N GLY A 24 72.042 -1.259 1.279 1.00 0.00 N ATOM 399 CA GLY A 24 72.807 -0.675 2.424 1.00 0.00 C ATOM 400 C GLY A 24 72.096 -0.960 3.748 1.00 0.00 C ATOM 401 O GLY A 24 70.998 -1.485 3.775 1.00 0.00 O ATOM 0 H GLY A 24 71.102 -1.586 1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 24 73.813 -1.094 2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 24 72.913 0.401 2.286 1.00 0.00 H new ATOM 405 N ARG A 25 72.729 -0.616 4.847 1.00 0.00 N ATOM 406 CA ARG A 25 72.103 -0.839 6.190 1.00 0.00 C ATOM 407 C ARG A 25 71.178 0.329 6.550 1.00 0.00 C ATOM 408 O ARG A 25 71.535 1.481 6.392 1.00 0.00 O ATOM 409 CB ARG A 25 73.276 -0.907 7.171 1.00 0.00 C ATOM 410 CG ARG A 25 74.120 -2.150 6.881 1.00 0.00 C ATOM 411 CD ARG A 25 73.455 -3.378 7.510 1.00 0.00 C ATOM 412 NE ARG A 25 73.746 -3.270 8.975 1.00 0.00 N ATOM 413 CZ ARG A 25 74.935 -3.566 9.467 1.00 0.00 C ATOM 414 NH1 ARG A 25 75.925 -3.953 8.695 1.00 0.00 N ATOM 415 NH2 ARG A 25 75.133 -3.467 10.753 1.00 0.00 N ATOM 0 H ARG A 25 73.655 -0.189 4.870 1.00 0.00 H new ATOM 0 HA ARG A 25 71.496 -1.744 6.211 1.00 0.00 H new ATOM 0 HB2 ARG A 25 73.889 -0.010 7.082 1.00 0.00 H new ATOM 0 HB3 ARG A 25 72.905 -0.939 8.195 1.00 0.00 H new ATOM 0 HG2 ARG A 25 74.222 -2.290 5.805 1.00 0.00 H new ATOM 0 HG3 ARG A 25 75.125 -2.022 7.283 1.00 0.00 H new ATOM 0 HD2 ARG A 25 72.382 -3.386 7.321 1.00 0.00 H new ATOM 0 HD3 ARG A 25 73.859 -4.301 7.095 1.00 0.00 H new ATOM 0 HE ARG A 25 73.008 -2.960 9.608 1.00 0.00 H new ATOM 0 HH11 ARG A 25 75.786 -4.031 7.688 1.00 0.00 H new ATOM 0 HH12 ARG A 25 76.833 -4.175 9.103 1.00 0.00 H new ATOM 0 HH21 ARG A 25 74.374 -3.164 11.364 1.00 0.00 H new ATOM 0 HH22 ARG A 25 76.046 -3.692 11.147 1.00 0.00 H new ATOM 429 N LEU A 26 69.993 0.036 7.034 1.00 0.00 N ATOM 430 CA LEU A 26 69.073 1.128 7.497 1.00 0.00 C ATOM 431 C LEU A 26 69.652 1.836 8.726 1.00 0.00 C ATOM 432 O LEU A 26 69.855 1.228 9.761 1.00 0.00 O ATOM 433 CB LEU A 26 67.780 0.404 7.887 1.00 0.00 C ATOM 434 CG LEU A 26 66.682 1.429 8.191 1.00 0.00 C ATOM 435 CD1 LEU A 26 66.235 2.105 6.892 1.00 0.00 C ATOM 436 CD2 LEU A 26 65.487 0.720 8.832 1.00 0.00 C ATOM 0 H LEU A 26 69.623 -0.910 7.129 1.00 0.00 H new ATOM 0 HA LEU A 26 68.922 1.886 6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 26 67.462 -0.253 7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 26 67.954 -0.226 8.760 1.00 0.00 H new ATOM 0 HG LEU A 26 67.071 2.182 8.876 1.00 0.00 H new ATOM 0 HD11 LEU A 26 65.454 2.833 7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 26 67.085 2.611 6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 26 65.847 1.353 6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 26 64.705 1.448 9.049 1.00 0.00 H new ATOM 0 HD22 LEU A 26 65.101 -0.034 8.146 1.00 0.00 H new ATOM 0 HD23 LEU A 26 65.803 0.240 9.758 1.00 0.00 H new ATOM 448 N TYR A 27 69.918 3.116 8.618 1.00 0.00 N ATOM 449 CA TYR A 27 70.470 3.872 9.782 1.00 0.00 C ATOM 450 C TYR A 27 69.356 4.648 10.492 1.00 0.00 C ATOM 451 O TYR A 27 69.209 4.567 11.697 1.00 0.00 O ATOM 452 CB TYR A 27 71.498 4.833 9.184 1.00 0.00 C ATOM 453 CG TYR A 27 72.312 5.566 10.225 1.00 0.00 C ATOM 454 CD1 TYR A 27 72.973 4.843 11.248 1.00 0.00 C ATOM 455 CD2 TYR A 27 72.413 6.977 10.178 1.00 0.00 C ATOM 456 CE1 TYR A 27 73.734 5.531 12.224 1.00 0.00 C ATOM 457 CE2 TYR A 27 73.174 7.665 11.154 1.00 0.00 C ATOM 458 CZ TYR A 27 73.834 6.943 12.177 1.00 0.00 C ATOM 459 OH TYR A 27 74.575 7.613 13.128 1.00 0.00 O ATOM 0 H TYR A 27 69.776 3.668 7.772 1.00 0.00 H new ATOM 0 HA TYR A 27 70.916 3.211 10.525 1.00 0.00 H new ATOM 0 HB2 TYR A 27 72.172 4.274 8.534 1.00 0.00 H new ATOM 0 HB3 TYR A 27 70.982 5.561 8.558 1.00 0.00 H new ATOM 0 HD1 TYR A 27 72.897 3.766 11.284 1.00 0.00 H new ATOM 0 HD2 TYR A 27 71.910 7.529 9.398 1.00 0.00 H new ATOM 0 HE1 TYR A 27 74.238 4.979 13.004 1.00 0.00 H new ATOM 0 HE2 TYR A 27 73.251 8.742 11.118 1.00 0.00 H new ATOM 0 HH TYR A 27 74.541 8.576 12.950 1.00 0.00 H new ATOM 469 N THR A 28 68.573 5.397 9.750 1.00 0.00 N ATOM 470 CA THR A 28 67.483 6.212 10.379 1.00 0.00 C ATOM 471 C THR A 28 66.357 6.463 9.371 1.00 0.00 C ATOM 472 O THR A 28 66.572 6.450 8.174 1.00 0.00 O ATOM 473 CB THR A 28 68.143 7.534 10.783 1.00 0.00 C ATOM 474 OG1 THR A 28 68.949 8.008 9.712 1.00 0.00 O ATOM 475 CG2 THR A 28 69.012 7.324 12.023 1.00 0.00 C ATOM 0 H THR A 28 68.642 5.479 8.736 1.00 0.00 H new ATOM 0 HA THR A 28 67.038 5.704 11.235 1.00 0.00 H new ATOM 0 HB THR A 28 67.369 8.267 11.009 1.00 0.00 H new ATOM 0 HG1 THR A 28 69.874 7.712 9.843 1.00 0.00 H new ATOM 0 HG21 THR A 28 69.478 8.268 12.305 1.00 0.00 H new ATOM 0 HG22 THR A 28 68.392 6.966 12.845 1.00 0.00 H new ATOM 0 HG23 THR A 28 69.786 6.588 11.805 1.00 0.00 H new ATOM 483 N VAL A 29 65.159 6.696 9.855 1.00 0.00 N ATOM 484 CA VAL A 29 64.000 6.929 8.939 1.00 0.00 C ATOM 485 C VAL A 29 63.073 8.008 9.525 1.00 0.00 C ATOM 486 O VAL A 29 62.902 8.101 10.727 1.00 0.00 O ATOM 487 CB VAL A 29 63.292 5.565 8.830 1.00 0.00 C ATOM 488 CG1 VAL A 29 62.760 5.126 10.201 1.00 0.00 C ATOM 489 CG2 VAL A 29 62.126 5.662 7.837 1.00 0.00 C ATOM 0 H VAL A 29 64.935 6.735 10.849 1.00 0.00 H new ATOM 0 HA VAL A 29 64.306 7.291 7.957 1.00 0.00 H new ATOM 0 HB VAL A 29 64.012 4.827 8.477 1.00 0.00 H new ATOM 0 HG11 VAL A 29 62.263 4.161 10.106 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.590 5.039 10.903 1.00 0.00 H new ATOM 0 HG13 VAL A 29 62.049 5.866 10.569 1.00 0.00 H new ATOM 0 HG21 VAL A 29 61.629 4.695 7.764 1.00 0.00 H new ATOM 0 HG22 VAL A 29 61.414 6.411 8.184 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.506 5.950 6.857 1.00 0.00 H new ATOM 499 N ASP A 30 62.479 8.820 8.681 1.00 0.00 N ATOM 500 CA ASP A 30 61.520 9.855 9.169 1.00 0.00 C ATOM 501 C ASP A 30 60.209 9.759 8.368 1.00 0.00 C ATOM 502 O ASP A 30 60.154 10.224 7.245 1.00 0.00 O ATOM 503 CB ASP A 30 62.215 11.195 8.907 1.00 0.00 C ATOM 504 CG ASP A 30 61.751 12.224 9.939 1.00 0.00 C ATOM 505 OD1 ASP A 30 62.384 12.318 10.978 1.00 0.00 O ATOM 506 OD2 ASP A 30 60.771 12.898 9.674 1.00 0.00 O ATOM 0 H ASP A 30 62.620 8.807 7.671 1.00 0.00 H new ATOM 0 HA ASP A 30 61.267 9.732 10.222 1.00 0.00 H new ATOM 0 HB2 ASP A 30 63.297 11.072 8.962 1.00 0.00 H new ATOM 0 HB3 ASP A 30 61.985 11.545 7.901 1.00 0.00 H new ATOM 511 N PRO A 31 59.191 9.159 8.964 1.00 0.00 N ATOM 512 CA PRO A 31 57.919 8.914 8.227 1.00 0.00 C ATOM 513 C PRO A 31 57.266 10.238 7.812 1.00 0.00 C ATOM 514 O PRO A 31 56.719 10.355 6.730 1.00 0.00 O ATOM 515 CB PRO A 31 57.040 8.162 9.230 1.00 0.00 C ATOM 516 CG PRO A 31 57.651 8.419 10.569 1.00 0.00 C ATOM 517 CD PRO A 31 59.118 8.662 10.348 1.00 0.00 C ATOM 0 HA PRO A 31 58.072 8.352 7.306 1.00 0.00 H new ATOM 0 HB2 PRO A 31 56.011 8.518 9.194 1.00 0.00 H new ATOM 0 HB3 PRO A 31 57.016 7.095 9.008 1.00 0.00 H new ATOM 0 HG2 PRO A 31 57.185 9.282 11.045 1.00 0.00 H new ATOM 0 HG3 PRO A 31 57.497 7.568 11.232 1.00 0.00 H new ATOM 0 HD2 PRO A 31 59.513 9.391 11.055 1.00 0.00 H new ATOM 0 HD3 PRO A 31 59.698 7.748 10.475 1.00 0.00 H new ATOM 525 N GLN A 32 57.332 11.239 8.652 1.00 0.00 N ATOM 526 CA GLN A 32 56.540 12.485 8.397 1.00 0.00 C ATOM 527 C GLN A 32 57.262 13.369 7.375 1.00 0.00 C ATOM 528 O GLN A 32 56.638 14.134 6.662 1.00 0.00 O ATOM 529 CB GLN A 32 56.423 13.190 9.750 1.00 0.00 C ATOM 530 CG GLN A 32 55.578 12.339 10.701 1.00 0.00 C ATOM 531 CD GLN A 32 55.491 13.025 12.066 1.00 0.00 C ATOM 532 OE1 GLN A 32 56.439 13.641 12.513 1.00 0.00 O ATOM 533 NE2 GLN A 32 54.384 12.944 12.753 1.00 0.00 N ATOM 0 H GLN A 32 57.897 11.250 9.501 1.00 0.00 H new ATOM 0 HA GLN A 32 55.555 12.265 7.984 1.00 0.00 H new ATOM 0 HB2 GLN A 32 57.414 13.352 10.174 1.00 0.00 H new ATOM 0 HB3 GLN A 32 55.967 14.172 9.622 1.00 0.00 H new ATOM 0 HG2 GLN A 32 54.579 12.199 10.289 1.00 0.00 H new ATOM 0 HG3 GLN A 32 56.020 11.348 10.808 1.00 0.00 H new ATOM 0 HE21 GLN A 32 53.588 12.427 12.379 1.00 0.00 H new ATOM 0 HE22 GLN A 32 54.315 13.397 13.664 1.00 0.00 H new ATOM 542 N GLU A 33 58.567 13.272 7.299 1.00 0.00 N ATOM 543 CA GLU A 33 59.314 13.994 6.223 1.00 0.00 C ATOM 544 C GLU A 33 59.412 13.143 4.943 1.00 0.00 C ATOM 545 O GLU A 33 60.025 13.555 3.976 1.00 0.00 O ATOM 546 CB GLU A 33 60.708 14.244 6.802 1.00 0.00 C ATOM 547 CG GLU A 33 60.613 15.269 7.934 1.00 0.00 C ATOM 548 CD GLU A 33 62.018 15.605 8.440 1.00 0.00 C ATOM 549 OE1 GLU A 33 62.573 14.798 9.167 1.00 0.00 O ATOM 550 OE2 GLU A 33 62.515 16.663 8.089 1.00 0.00 O ATOM 0 H GLU A 33 59.146 12.724 7.935 1.00 0.00 H new ATOM 0 HA GLU A 33 58.810 14.918 5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 33 61.131 13.312 7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.377 14.608 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 33 60.117 16.173 7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 33 60.007 14.872 8.748 1.00 0.00 H new ATOM 557 N CYS A 34 58.814 11.960 4.921 1.00 0.00 N ATOM 558 CA CYS A 34 58.937 11.046 3.731 1.00 0.00 C ATOM 559 C CYS A 34 60.405 10.883 3.300 1.00 0.00 C ATOM 560 O CYS A 34 60.715 10.854 2.122 1.00 0.00 O ATOM 561 CB CYS A 34 58.121 11.718 2.623 1.00 0.00 C ATOM 562 SG CYS A 34 56.355 11.481 2.944 1.00 0.00 S ATOM 0 H CYS A 34 58.244 11.592 5.683 1.00 0.00 H new ATOM 0 HA CYS A 34 58.575 10.043 3.958 1.00 0.00 H new ATOM 0 HB2 CYS A 34 58.354 12.782 2.580 1.00 0.00 H new ATOM 0 HB3 CYS A 34 58.385 11.294 1.654 1.00 0.00 H new ATOM 0 HG CYS A 34 55.663 12.054 2.004 1.00 0.00 H new ATOM 568 N THR A 35 61.309 10.775 4.248 1.00 0.00 N ATOM 569 CA THR A 35 62.762 10.732 3.898 1.00 0.00 C ATOM 570 C THR A 35 63.472 9.643 4.702 1.00 0.00 C ATOM 571 O THR A 35 63.051 9.291 5.786 1.00 0.00 O ATOM 572 CB THR A 35 63.309 12.115 4.268 1.00 0.00 C ATOM 573 OG1 THR A 35 62.801 12.505 5.537 1.00 0.00 O ATOM 574 CG2 THR A 35 62.888 13.135 3.208 1.00 0.00 C ATOM 0 H THR A 35 61.101 10.715 5.245 1.00 0.00 H new ATOM 0 HA THR A 35 62.920 10.502 2.844 1.00 0.00 H new ATOM 0 HB THR A 35 64.397 12.073 4.314 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.153 13.389 5.773 1.00 0.00 H new ATOM 0 HG21 THR A 35 63.278 14.118 3.473 1.00 0.00 H new ATOM 0 HG22 THR A 35 63.285 12.837 2.238 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.800 13.178 3.157 1.00 0.00 H new ATOM 582 N ILE A 36 64.546 9.110 4.175 1.00 0.00 N ATOM 583 CA ILE A 36 65.313 8.062 4.917 1.00 0.00 C ATOM 584 C ILE A 36 66.817 8.245 4.682 1.00 0.00 C ATOM 585 O ILE A 36 67.230 8.908 3.750 1.00 0.00 O ATOM 586 CB ILE A 36 64.826 6.713 4.356 1.00 0.00 C ATOM 587 CG1 ILE A 36 65.051 6.652 2.836 1.00 0.00 C ATOM 588 CG2 ILE A 36 63.334 6.542 4.655 1.00 0.00 C ATOM 589 CD1 ILE A 36 64.846 5.217 2.345 1.00 0.00 C ATOM 0 H ILE A 36 64.926 9.356 3.261 1.00 0.00 H new ATOM 0 HA ILE A 36 65.152 8.121 5.993 1.00 0.00 H new ATOM 0 HB ILE A 36 65.392 5.911 4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.359 7.323 2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 36 66.058 6.990 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.990 5.587 4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 36 63.174 6.565 5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 36 62.774 7.352 4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.006 5.175 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.556 4.557 2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.830 4.896 2.574 1.00 0.00 H new ATOM 601 N ALA A 37 67.632 7.659 5.523 1.00 0.00 N ATOM 602 CA ALA A 37 69.109 7.712 5.308 1.00 0.00 C ATOM 603 C ALA A 37 69.718 6.333 5.564 1.00 0.00 C ATOM 604 O ALA A 37 69.489 5.727 6.597 1.00 0.00 O ATOM 605 CB ALA A 37 69.635 8.732 6.320 1.00 0.00 C ATOM 0 H ALA A 37 67.336 7.144 6.352 1.00 0.00 H new ATOM 0 HA ALA A 37 69.368 7.996 4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 37 70.716 8.822 6.218 1.00 0.00 H new ATOM 0 HB2 ALA A 37 69.172 9.701 6.134 1.00 0.00 H new ATOM 0 HB3 ALA A 37 69.392 8.401 7.330 1.00 0.00 H new ATOM 611 N LEU A 38 70.490 5.839 4.628 1.00 0.00 N ATOM 612 CA LEU A 38 71.091 4.481 4.774 1.00 0.00 C ATOM 613 C LEU A 38 72.597 4.609 4.993 1.00 0.00 C ATOM 614 O LEU A 38 73.226 5.514 4.477 1.00 0.00 O ATOM 615 CB LEU A 38 70.803 3.766 3.449 1.00 0.00 C ATOM 616 CG LEU A 38 69.291 3.625 3.242 1.00 0.00 C ATOM 617 CD1 LEU A 38 69.017 3.105 1.830 1.00 0.00 C ATOM 618 CD2 LEU A 38 68.721 2.639 4.266 1.00 0.00 C ATOM 0 H LEU A 38 70.730 6.324 3.763 1.00 0.00 H new ATOM 0 HA LEU A 38 70.681 3.934 5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.240 4.326 2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.271 2.782 3.449 1.00 0.00 H new ATOM 0 HG LEU A 38 68.816 4.598 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 38 67.942 3.004 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 38 69.420 3.806 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 38 69.494 2.133 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 38 67.646 2.540 4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 38 69.196 1.666 4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 38 68.915 3.008 5.273 1.00 0.00 H new ATOM 630 N SER A 39 73.179 3.713 5.750 1.00 0.00 N ATOM 631 CA SER A 39 74.641 3.803 6.034 1.00 0.00 C ATOM 632 C SER A 39 75.338 2.564 5.480 1.00 0.00 C ATOM 633 O SER A 39 74.740 1.510 5.386 1.00 0.00 O ATOM 634 CB SER A 39 74.750 3.851 7.557 1.00 0.00 C ATOM 635 OG SER A 39 74.277 2.626 8.102 1.00 0.00 O ATOM 0 H SER A 39 72.702 2.922 6.184 1.00 0.00 H new ATOM 0 HA SER A 39 75.109 4.674 5.575 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.785 4.018 7.854 1.00 0.00 H new ATOM 0 HB3 SER A 39 74.168 4.685 7.948 1.00 0.00 H new ATOM 0 HG SER A 39 74.348 2.654 9.079 1.00 0.00 H new ATOM 641 N SER A 40 76.597 2.685 5.115 1.00 0.00 N ATOM 642 CA SER A 40 77.318 1.568 4.413 1.00 0.00 C ATOM 643 C SER A 40 76.443 0.990 3.289 1.00 0.00 C ATOM 644 O SER A 40 75.727 0.021 3.472 1.00 0.00 O ATOM 645 CB SER A 40 77.626 0.522 5.495 1.00 0.00 C ATOM 646 OG SER A 40 76.450 -0.205 5.827 1.00 0.00 O ATOM 0 H SER A 40 77.162 3.519 5.275 1.00 0.00 H new ATOM 0 HA SER A 40 78.237 1.908 3.936 1.00 0.00 H new ATOM 0 HB2 SER A 40 78.397 -0.162 5.140 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.021 1.014 6.384 1.00 0.00 H new ATOM 0 HG SER A 40 75.705 0.108 5.273 1.00 0.00 H new ATOM 652 N VAL A 41 76.498 1.604 2.132 1.00 0.00 N ATOM 653 CA VAL A 41 75.659 1.149 0.982 1.00 0.00 C ATOM 654 C VAL A 41 76.513 1.098 -0.296 1.00 0.00 C ATOM 655 O VAL A 41 77.461 1.846 -0.447 1.00 0.00 O ATOM 656 CB VAL A 41 74.524 2.187 0.881 1.00 0.00 C ATOM 657 CG1 VAL A 41 75.097 3.568 0.552 1.00 0.00 C ATOM 658 CG2 VAL A 41 73.528 1.777 -0.213 1.00 0.00 C ATOM 0 H VAL A 41 77.094 2.408 1.935 1.00 0.00 H new ATOM 0 HA VAL A 41 75.255 0.146 1.117 1.00 0.00 H new ATOM 0 HB VAL A 41 74.010 2.230 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 41 74.285 4.292 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 41 75.788 3.872 1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 41 75.626 3.525 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 41 72.731 2.518 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 41 74.044 1.718 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 41 73.101 0.804 0.030 1.00 0.00 H new ATOM 668 N ARG A 42 76.180 0.220 -1.208 1.00 0.00 N ATOM 669 CA ARG A 42 76.941 0.125 -2.492 1.00 0.00 C ATOM 670 C ARG A 42 75.966 0.055 -3.674 1.00 0.00 C ATOM 671 O ARG A 42 74.844 -0.395 -3.531 1.00 0.00 O ATOM 672 CB ARG A 42 77.772 -1.165 -2.384 1.00 0.00 C ATOM 673 CG ARG A 42 76.857 -2.381 -2.176 1.00 0.00 C ATOM 674 CD ARG A 42 77.712 -3.636 -1.967 1.00 0.00 C ATOM 675 NE ARG A 42 78.116 -4.075 -3.343 1.00 0.00 N ATOM 676 CZ ARG A 42 79.110 -4.922 -3.529 1.00 0.00 C ATOM 677 NH1 ARG A 42 79.791 -5.421 -2.522 1.00 0.00 N ATOM 678 NH2 ARG A 42 79.425 -5.275 -4.746 1.00 0.00 N ATOM 0 H ARG A 42 75.408 -0.440 -1.118 1.00 0.00 H new ATOM 0 HA ARG A 42 77.580 0.992 -2.659 1.00 0.00 H new ATOM 0 HB2 ARG A 42 78.364 -1.299 -3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 42 78.473 -1.084 -1.553 1.00 0.00 H new ATOM 0 HG2 ARG A 42 76.212 -2.220 -1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 42 76.206 -2.512 -3.041 1.00 0.00 H new ATOM 0 HD2 ARG A 42 78.585 -3.419 -1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 42 77.147 -4.416 -1.456 1.00 0.00 H new ATOM 0 HE ARG A 42 77.612 -3.711 -4.152 1.00 0.00 H new ATOM 0 HH11 ARG A 42 79.556 -5.155 -1.566 1.00 0.00 H new ATOM 0 HH12 ARG A 42 80.555 -6.074 -2.697 1.00 0.00 H new ATOM 0 HH21 ARG A 42 78.905 -4.897 -5.538 1.00 0.00 H new ATOM 0 HH22 ARG A 42 80.191 -5.929 -4.905 1.00 0.00 H new ATOM 692 N SER A 43 76.387 0.500 -4.835 1.00 0.00 N ATOM 693 CA SER A 43 75.502 0.436 -6.039 1.00 0.00 C ATOM 694 C SER A 43 76.039 -0.605 -7.025 1.00 0.00 C ATOM 695 O SER A 43 77.236 -0.716 -7.227 1.00 0.00 O ATOM 696 CB SER A 43 75.560 1.839 -6.645 1.00 0.00 C ATOM 697 OG SER A 43 76.859 2.070 -7.176 1.00 0.00 O ATOM 0 H SER A 43 77.308 0.906 -4.999 1.00 0.00 H new ATOM 0 HA SER A 43 74.481 0.144 -5.794 1.00 0.00 H new ATOM 0 HB2 SER A 43 74.811 1.939 -7.430 1.00 0.00 H new ATOM 0 HB3 SER A 43 75.327 2.585 -5.885 1.00 0.00 H new ATOM 0 HG SER A 43 77.333 1.217 -7.264 1.00 0.00 H new ATOM 703 N PHE A 44 75.165 -1.366 -7.639 1.00 0.00 N ATOM 704 CA PHE A 44 75.630 -2.484 -8.522 1.00 0.00 C ATOM 705 C PHE A 44 75.980 -1.966 -9.921 1.00 0.00 C ATOM 706 O PHE A 44 76.936 -2.415 -10.528 1.00 0.00 O ATOM 707 CB PHE A 44 74.454 -3.459 -8.592 1.00 0.00 C ATOM 708 CG PHE A 44 74.225 -4.221 -7.307 1.00 0.00 C ATOM 709 CD1 PHE A 44 75.013 -5.360 -7.010 1.00 0.00 C ATOM 710 CD2 PHE A 44 73.223 -3.798 -6.400 1.00 0.00 C ATOM 711 CE1 PHE A 44 74.800 -6.075 -5.807 1.00 0.00 C ATOM 712 CE2 PHE A 44 73.010 -4.513 -5.197 1.00 0.00 C ATOM 713 CZ PHE A 44 73.798 -5.651 -4.900 1.00 0.00 C ATOM 0 H PHE A 44 74.153 -1.262 -7.568 1.00 0.00 H new ATOM 0 HA PHE A 44 76.531 -2.957 -8.131 1.00 0.00 H new ATOM 0 HB2 PHE A 44 73.549 -2.906 -8.844 1.00 0.00 H new ATOM 0 HB3 PHE A 44 74.629 -4.169 -9.400 1.00 0.00 H new ATOM 0 HD1 PHE A 44 75.777 -5.683 -7.702 1.00 0.00 H new ATOM 0 HD2 PHE A 44 72.621 -2.930 -6.626 1.00 0.00 H new ATOM 0 HE1 PHE A 44 75.401 -6.943 -5.581 1.00 0.00 H new ATOM 0 HE2 PHE A 44 72.246 -4.190 -4.505 1.00 0.00 H new ATOM 0 HZ PHE A 44 73.635 -6.196 -3.982 1.00 0.00 H new ATOM 723 N GLY A 45 75.218 -1.030 -10.439 1.00 0.00 N ATOM 724 CA GLY A 45 75.554 -0.441 -11.768 1.00 0.00 C ATOM 725 C GLY A 45 74.380 0.386 -12.294 1.00 0.00 C ATOM 726 O GLY A 45 73.286 0.338 -11.764 1.00 0.00 O ATOM 0 H GLY A 45 74.380 -0.652 -9.997 1.00 0.00 H new ATOM 0 HA2 GLY A 45 76.440 0.187 -11.681 1.00 0.00 H new ATOM 0 HA3 GLY A 45 75.794 -1.235 -12.475 1.00 0.00 H new ATOM 730 N THR A 46 74.611 1.146 -13.336 1.00 0.00 N ATOM 731 CA THR A 46 73.501 1.904 -14.000 1.00 0.00 C ATOM 732 C THR A 46 73.318 1.450 -15.460 1.00 0.00 C ATOM 733 O THR A 46 72.543 2.033 -16.193 1.00 0.00 O ATOM 734 CB THR A 46 73.920 3.382 -13.950 1.00 0.00 C ATOM 735 OG1 THR A 46 75.334 3.492 -14.058 1.00 0.00 O ATOM 736 CG2 THR A 46 73.453 4.011 -12.632 1.00 0.00 C ATOM 0 H THR A 46 75.530 1.276 -13.760 1.00 0.00 H new ATOM 0 HA THR A 46 72.549 1.733 -13.497 1.00 0.00 H new ATOM 0 HB THR A 46 73.457 3.909 -14.784 1.00 0.00 H new ATOM 0 HG1 THR A 46 75.592 4.437 -14.027 1.00 0.00 H new ATOM 0 HG21 THR A 46 73.753 5.059 -12.602 1.00 0.00 H new ATOM 0 HG22 THR A 46 72.368 3.942 -12.560 1.00 0.00 H new ATOM 0 HG23 THR A 46 73.906 3.480 -11.795 1.00 0.00 H new ATOM 744 N GLU A 47 74.024 0.417 -15.882 1.00 0.00 N ATOM 745 CA GLU A 47 74.110 0.064 -17.342 1.00 0.00 C ATOM 746 C GLU A 47 72.727 0.017 -18.014 1.00 0.00 C ATOM 747 O GLU A 47 72.610 0.224 -19.208 1.00 0.00 O ATOM 748 CB GLU A 47 74.760 -1.324 -17.379 1.00 0.00 C ATOM 749 CG GLU A 47 75.134 -1.679 -18.820 1.00 0.00 C ATOM 750 CD GLU A 47 75.661 -3.115 -18.876 1.00 0.00 C ATOM 751 OE1 GLU A 47 75.069 -3.970 -18.237 1.00 0.00 O ATOM 752 OE2 GLU A 47 76.649 -3.336 -19.558 1.00 0.00 O ATOM 0 H GLU A 47 74.550 -0.203 -15.266 1.00 0.00 H new ATOM 0 HA GLU A 47 74.680 0.816 -17.888 1.00 0.00 H new ATOM 0 HB2 GLU A 47 75.649 -1.337 -16.748 1.00 0.00 H new ATOM 0 HB3 GLU A 47 74.073 -2.069 -16.977 1.00 0.00 H new ATOM 0 HG2 GLU A 47 74.264 -1.575 -19.468 1.00 0.00 H new ATOM 0 HG3 GLU A 47 75.892 -0.988 -19.190 1.00 0.00 H new ATOM 759 N ASP A 48 71.686 -0.253 -17.263 1.00 0.00 N ATOM 760 CA ASP A 48 70.315 -0.308 -17.869 1.00 0.00 C ATOM 761 C ASP A 48 69.892 1.084 -18.360 1.00 0.00 C ATOM 762 O ASP A 48 69.614 1.279 -19.530 1.00 0.00 O ATOM 763 CB ASP A 48 69.388 -0.782 -16.746 1.00 0.00 C ATOM 764 CG ASP A 48 69.738 -2.222 -16.361 1.00 0.00 C ATOM 765 OD1 ASP A 48 69.979 -3.014 -17.257 1.00 0.00 O ATOM 766 OD2 ASP A 48 69.758 -2.508 -15.174 1.00 0.00 O ATOM 0 H ASP A 48 71.724 -0.437 -16.261 1.00 0.00 H new ATOM 0 HA ASP A 48 70.280 -0.975 -18.730 1.00 0.00 H new ATOM 0 HB2 ASP A 48 69.488 -0.129 -15.879 1.00 0.00 H new ATOM 0 HB3 ASP A 48 68.349 -0.724 -17.070 1.00 0.00 H new ATOM 771 N ARG A 49 69.843 2.046 -17.472 1.00 0.00 N ATOM 772 CA ARG A 49 69.501 3.448 -17.881 1.00 0.00 C ATOM 773 C ARG A 49 70.768 4.277 -18.153 1.00 0.00 C ATOM 774 O ARG A 49 70.696 5.481 -18.316 1.00 0.00 O ATOM 775 CB ARG A 49 68.728 4.030 -16.698 1.00 0.00 C ATOM 776 CG ARG A 49 67.272 3.563 -16.756 1.00 0.00 C ATOM 777 CD ARG A 49 66.547 4.288 -17.895 1.00 0.00 C ATOM 778 NE ARG A 49 65.097 3.953 -17.724 1.00 0.00 N ATOM 779 CZ ARG A 49 64.227 4.143 -18.698 1.00 0.00 C ATOM 780 NH1 ARG A 49 64.590 4.636 -19.861 1.00 0.00 N ATOM 781 NH2 ARG A 49 62.974 3.833 -18.501 1.00 0.00 N ATOM 0 H ARG A 49 70.026 1.922 -16.476 1.00 0.00 H new ATOM 0 HA ARG A 49 68.922 3.464 -18.804 1.00 0.00 H new ATOM 0 HB2 ARG A 49 69.185 3.713 -15.761 1.00 0.00 H new ATOM 0 HB3 ARG A 49 68.772 5.119 -16.722 1.00 0.00 H new ATOM 0 HG2 ARG A 49 67.231 2.485 -16.913 1.00 0.00 H new ATOM 0 HG3 ARG A 49 66.776 3.767 -15.807 1.00 0.00 H new ATOM 0 HD2 ARG A 49 66.710 5.364 -17.842 1.00 0.00 H new ATOM 0 HD3 ARG A 49 66.914 3.958 -18.867 1.00 0.00 H new ATOM 0 HE ARG A 49 64.775 3.570 -16.835 1.00 0.00 H new ATOM 0 HH11 ARG A 49 65.566 4.882 -20.028 1.00 0.00 H new ATOM 0 HH12 ARG A 49 63.896 4.772 -20.596 1.00 0.00 H new ATOM 0 HH21 ARG A 49 62.679 3.449 -17.603 1.00 0.00 H new ATOM 0 HH22 ARG A 49 62.291 3.975 -19.245 1.00 0.00 H new ATOM 795 N ASP A 50 71.923 3.649 -18.205 1.00 0.00 N ATOM 796 CA ASP A 50 73.210 4.423 -18.264 1.00 0.00 C ATOM 797 C ASP A 50 73.249 5.347 -19.492 1.00 0.00 C ATOM 798 O ASP A 50 72.381 5.304 -20.344 1.00 0.00 O ATOM 799 CB ASP A 50 74.329 3.368 -18.350 1.00 0.00 C ATOM 800 CG ASP A 50 74.184 2.508 -19.622 1.00 0.00 C ATOM 801 OD1 ASP A 50 73.172 2.627 -20.296 1.00 0.00 O ATOM 802 OD2 ASP A 50 75.096 1.746 -19.897 1.00 0.00 O ATOM 0 H ASP A 50 72.030 2.635 -18.209 1.00 0.00 H new ATOM 0 HA ASP A 50 73.322 5.065 -17.390 1.00 0.00 H new ATOM 0 HB2 ASP A 50 75.300 3.863 -18.350 1.00 0.00 H new ATOM 0 HB3 ASP A 50 74.298 2.727 -17.469 1.00 0.00 H new ATOM 807 N THR A 51 74.259 6.177 -19.573 1.00 0.00 N ATOM 808 CA THR A 51 74.443 7.045 -20.775 1.00 0.00 C ATOM 809 C THR A 51 75.060 6.229 -21.912 1.00 0.00 C ATOM 810 O THR A 51 75.583 5.152 -21.695 1.00 0.00 O ATOM 811 CB THR A 51 75.396 8.159 -20.333 1.00 0.00 C ATOM 812 OG1 THR A 51 74.937 8.715 -19.110 1.00 0.00 O ATOM 813 CG2 THR A 51 75.443 9.249 -21.406 1.00 0.00 C ATOM 0 H THR A 51 74.970 6.291 -18.851 1.00 0.00 H new ATOM 0 HA THR A 51 73.499 7.450 -21.141 1.00 0.00 H new ATOM 0 HB THR A 51 76.396 7.748 -20.193 1.00 0.00 H new ATOM 0 HG1 THR A 51 75.547 9.427 -18.825 1.00 0.00 H new ATOM 0 HG21 THR A 51 76.122 10.041 -21.090 1.00 0.00 H new ATOM 0 HG22 THR A 51 75.796 8.821 -22.344 1.00 0.00 H new ATOM 0 HG23 THR A 51 74.444 9.662 -21.549 1.00 0.00 H new ATOM 821 N GLN A 52 75.003 6.735 -23.120 1.00 0.00 N ATOM 822 CA GLN A 52 75.581 5.979 -24.280 1.00 0.00 C ATOM 823 C GLN A 52 77.120 6.096 -24.313 1.00 0.00 C ATOM 824 O GLN A 52 77.758 5.592 -25.217 1.00 0.00 O ATOM 825 CB GLN A 52 74.950 6.606 -25.537 1.00 0.00 C ATOM 826 CG GLN A 52 75.398 8.066 -25.704 1.00 0.00 C ATOM 827 CD GLN A 52 74.462 8.777 -26.683 1.00 0.00 C ATOM 828 OE1 GLN A 52 73.342 9.104 -26.341 1.00 0.00 O ATOM 829 NE2 GLN A 52 74.875 9.031 -27.894 1.00 0.00 N ATOM 0 H GLN A 52 74.584 7.635 -23.354 1.00 0.00 H new ATOM 0 HA GLN A 52 75.363 4.913 -24.210 1.00 0.00 H new ATOM 0 HB2 GLN A 52 75.235 6.031 -26.418 1.00 0.00 H new ATOM 0 HB3 GLN A 52 73.863 6.561 -25.465 1.00 0.00 H new ATOM 0 HG2 GLN A 52 75.387 8.574 -24.740 1.00 0.00 H new ATOM 0 HG3 GLN A 52 76.423 8.103 -26.072 1.00 0.00 H new ATOM 0 HE21 GLN A 52 75.815 8.757 -28.180 1.00 0.00 H new ATOM 0 HE22 GLN A 52 74.258 9.504 -28.554 1.00 0.00 H new ATOM 838 N PHE A 53 77.714 6.756 -23.341 1.00 0.00 N ATOM 839 CA PHE A 53 79.200 6.721 -23.202 1.00 0.00 C ATOM 840 C PHE A 53 79.591 5.691 -22.139 1.00 0.00 C ATOM 841 O PHE A 53 78.763 5.246 -21.365 1.00 0.00 O ATOM 842 CB PHE A 53 79.592 8.131 -22.762 1.00 0.00 C ATOM 843 CG PHE A 53 79.714 9.111 -23.907 1.00 0.00 C ATOM 844 CD1 PHE A 53 78.638 9.284 -24.812 1.00 0.00 C ATOM 845 CD2 PHE A 53 80.906 9.857 -24.074 1.00 0.00 C ATOM 846 CE1 PHE A 53 78.755 10.202 -25.884 1.00 0.00 C ATOM 847 CE2 PHE A 53 81.023 10.775 -25.146 1.00 0.00 C ATOM 848 CZ PHE A 53 79.947 10.947 -26.051 1.00 0.00 C ATOM 0 H PHE A 53 77.229 7.316 -22.640 1.00 0.00 H new ATOM 0 HA PHE A 53 79.703 6.437 -24.126 1.00 0.00 H new ATOM 0 HB2 PHE A 53 78.849 8.502 -22.055 1.00 0.00 H new ATOM 0 HB3 PHE A 53 80.543 8.086 -22.231 1.00 0.00 H new ATOM 0 HD1 PHE A 53 77.728 8.716 -24.684 1.00 0.00 H new ATOM 0 HD2 PHE A 53 81.726 9.726 -23.384 1.00 0.00 H new ATOM 0 HE1 PHE A 53 77.935 10.334 -26.574 1.00 0.00 H new ATOM 0 HE2 PHE A 53 81.932 11.344 -25.273 1.00 0.00 H new ATOM 0 HZ PHE A 53 80.036 11.647 -26.869 1.00 0.00 H new ATOM 858 N GLN A 54 80.845 5.311 -22.094 1.00 0.00 N ATOM 859 CA GLN A 54 81.278 4.238 -21.139 1.00 0.00 C ATOM 860 C GLN A 54 81.171 4.734 -19.692 1.00 0.00 C ATOM 861 O GLN A 54 81.566 5.841 -19.377 1.00 0.00 O ATOM 862 CB GLN A 54 82.738 3.940 -21.493 1.00 0.00 C ATOM 863 CG GLN A 54 82.812 3.326 -22.893 1.00 0.00 C ATOM 864 CD GLN A 54 84.274 3.075 -23.271 1.00 0.00 C ATOM 865 OE1 GLN A 54 85.152 3.826 -22.891 1.00 0.00 O ATOM 866 NE2 GLN A 54 84.575 2.042 -24.010 1.00 0.00 N ATOM 0 H GLN A 54 81.589 5.696 -22.676 1.00 0.00 H new ATOM 0 HA GLN A 54 80.652 3.349 -21.219 1.00 0.00 H new ATOM 0 HB2 GLN A 54 83.326 4.857 -21.456 1.00 0.00 H new ATOM 0 HB3 GLN A 54 83.168 3.256 -20.762 1.00 0.00 H new ATOM 0 HG2 GLN A 54 82.254 2.390 -22.920 1.00 0.00 H new ATOM 0 HG3 GLN A 54 82.349 3.995 -23.619 1.00 0.00 H new ATOM 0 HE21 GLN A 54 83.839 1.412 -24.329 1.00 0.00 H new ATOM 0 HE22 GLN A 54 85.546 1.865 -24.268 1.00 0.00 H new ATOM 875 N ILE A 55 80.638 3.915 -18.814 1.00 0.00 N ATOM 876 CA ILE A 55 80.554 4.298 -17.368 1.00 0.00 C ATOM 877 C ILE A 55 81.450 3.371 -16.538 1.00 0.00 C ATOM 878 O ILE A 55 81.418 2.165 -16.696 1.00 0.00 O ATOM 879 CB ILE A 55 79.074 4.121 -16.972 1.00 0.00 C ATOM 880 CG1 ILE A 55 78.156 4.930 -17.915 1.00 0.00 C ATOM 881 CG2 ILE A 55 78.865 4.595 -15.529 1.00 0.00 C ATOM 882 CD1 ILE A 55 78.545 6.418 -17.917 1.00 0.00 C ATOM 0 H ILE A 55 80.257 2.996 -19.038 1.00 0.00 H new ATOM 0 HA ILE A 55 80.889 5.320 -17.193 1.00 0.00 H new ATOM 0 HB ILE A 55 78.819 3.065 -17.054 1.00 0.00 H new ATOM 0 HG12 ILE A 55 78.225 4.531 -18.927 1.00 0.00 H new ATOM 0 HG13 ILE A 55 77.118 4.822 -17.600 1.00 0.00 H new ATOM 0 HG21 ILE A 55 77.818 4.469 -15.252 1.00 0.00 H new ATOM 0 HG22 ILE A 55 79.491 4.006 -14.858 1.00 0.00 H new ATOM 0 HG23 ILE A 55 79.137 5.648 -15.449 1.00 0.00 H new ATOM 0 HD11 ILE A 55 77.884 6.966 -18.588 1.00 0.00 H new ATOM 0 HD12 ILE A 55 78.452 6.820 -16.908 1.00 0.00 H new ATOM 0 HD13 ILE A 55 79.576 6.524 -18.256 1.00 0.00 H new ATOM 894 N ALA A 56 82.245 3.930 -15.658 1.00 0.00 N ATOM 895 CA ALA A 56 83.177 3.090 -14.842 1.00 0.00 C ATOM 896 C ALA A 56 82.479 2.626 -13.550 1.00 0.00 C ATOM 897 O ALA A 56 81.797 3.410 -12.917 1.00 0.00 O ATOM 898 CB ALA A 56 84.357 4.005 -14.513 1.00 0.00 C ATOM 0 H ALA A 56 82.289 4.931 -15.470 1.00 0.00 H new ATOM 0 HA ALA A 56 83.495 2.193 -15.374 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.085 3.458 -13.914 1.00 0.00 H new ATOM 0 HB2 ALA A 56 84.826 4.341 -15.438 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.002 4.869 -13.952 1.00 0.00 H new ATOM 904 N PRO A 57 82.667 1.366 -13.190 1.00 0.00 N ATOM 905 CA PRO A 57 82.040 0.837 -11.949 1.00 0.00 C ATOM 906 C PRO A 57 82.703 1.457 -10.714 1.00 0.00 C ATOM 907 O PRO A 57 83.889 1.730 -10.711 1.00 0.00 O ATOM 908 CB PRO A 57 82.303 -0.667 -12.012 1.00 0.00 C ATOM 909 CG PRO A 57 83.480 -0.823 -12.918 1.00 0.00 C ATOM 910 CD PRO A 57 83.458 0.333 -13.882 1.00 0.00 C ATOM 0 HA PRO A 57 80.977 1.069 -11.877 1.00 0.00 H new ATOM 0 HB2 PRO A 57 82.512 -1.072 -11.022 1.00 0.00 H new ATOM 0 HB3 PRO A 57 81.436 -1.202 -12.398 1.00 0.00 H new ATOM 0 HG2 PRO A 57 84.408 -0.829 -12.346 1.00 0.00 H new ATOM 0 HG3 PRO A 57 83.430 -1.771 -13.453 1.00 0.00 H new ATOM 0 HD2 PRO A 57 84.465 0.685 -14.104 1.00 0.00 H new ATOM 0 HD3 PRO A 57 83.002 0.051 -14.831 1.00 0.00 H new ATOM 918 N GLN A 58 81.943 1.678 -9.669 1.00 0.00 N ATOM 919 CA GLN A 58 82.523 2.259 -8.420 1.00 0.00 C ATOM 920 C GLN A 58 82.767 1.155 -7.387 1.00 0.00 C ATOM 921 O GLN A 58 81.838 0.531 -6.905 1.00 0.00 O ATOM 922 CB GLN A 58 81.470 3.245 -7.913 1.00 0.00 C ATOM 923 CG GLN A 58 81.364 4.425 -8.883 1.00 0.00 C ATOM 924 CD GLN A 58 80.267 5.381 -8.410 1.00 0.00 C ATOM 925 OE1 GLN A 58 79.243 4.953 -7.917 1.00 0.00 O ATOM 926 NE2 GLN A 58 80.440 6.667 -8.543 1.00 0.00 N ATOM 0 H GLN A 58 80.943 1.480 -9.628 1.00 0.00 H new ATOM 0 HA GLN A 58 83.482 2.745 -8.598 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.504 2.747 -7.823 1.00 0.00 H new ATOM 0 HB3 GLN A 58 81.739 3.601 -6.919 1.00 0.00 H new ATOM 0 HG2 GLN A 58 82.318 4.949 -8.939 1.00 0.00 H new ATOM 0 HG3 GLN A 58 81.139 4.065 -9.887 1.00 0.00 H new ATOM 0 HE21 GLN A 58 81.300 7.026 -8.957 1.00 0.00 H new ATOM 0 HE22 GLN A 58 79.715 7.314 -8.233 1.00 0.00 H new ATOM 935 N SER A 59 84.009 0.913 -7.047 1.00 0.00 N ATOM 936 CA SER A 59 84.328 -0.148 -6.040 1.00 0.00 C ATOM 937 C SER A 59 84.226 0.418 -4.620 1.00 0.00 C ATOM 938 O SER A 59 83.857 -0.279 -3.693 1.00 0.00 O ATOM 939 CB SER A 59 85.764 -0.576 -6.345 1.00 0.00 C ATOM 940 OG SER A 59 85.853 -0.986 -7.703 1.00 0.00 O ATOM 0 H SER A 59 84.818 1.406 -7.424 1.00 0.00 H new ATOM 0 HA SER A 59 83.635 -0.987 -6.098 1.00 0.00 H new ATOM 0 HB2 SER A 59 86.450 0.250 -6.157 1.00 0.00 H new ATOM 0 HB3 SER A 59 86.060 -1.392 -5.686 1.00 0.00 H new ATOM 0 HG SER A 59 86.773 -1.259 -7.903 1.00 0.00 H new ATOM 946 N GLN A 60 84.553 1.678 -4.448 1.00 0.00 N ATOM 947 CA GLN A 60 84.497 2.301 -3.082 1.00 0.00 C ATOM 948 C GLN A 60 83.062 2.287 -2.542 1.00 0.00 C ATOM 949 O GLN A 60 82.110 2.453 -3.283 1.00 0.00 O ATOM 950 CB GLN A 60 84.978 3.743 -3.273 1.00 0.00 C ATOM 951 CG GLN A 60 85.196 4.395 -1.907 1.00 0.00 C ATOM 952 CD GLN A 60 85.582 5.863 -2.097 1.00 0.00 C ATOM 953 OE1 GLN A 60 84.816 6.641 -2.631 1.00 0.00 O ATOM 954 NE2 GLN A 60 86.748 6.277 -1.682 1.00 0.00 N ATOM 0 H GLN A 60 84.857 2.304 -5.194 1.00 0.00 H new ATOM 0 HA GLN A 60 85.112 1.757 -2.365 1.00 0.00 H new ATOM 0 HB2 GLN A 60 85.906 3.755 -3.845 1.00 0.00 H new ATOM 0 HB3 GLN A 60 84.243 4.310 -3.845 1.00 0.00 H new ATOM 0 HG2 GLN A 60 84.288 4.321 -1.308 1.00 0.00 H new ATOM 0 HG3 GLN A 60 85.980 3.869 -1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 60 87.391 5.624 -1.234 1.00 0.00 H new ATOM 0 HE22 GLN A 60 87.016 7.253 -1.806 1.00 0.00 H new ATOM 963 N ILE A 61 82.906 2.088 -1.256 1.00 0.00 N ATOM 964 CA ILE A 61 81.538 2.053 -0.649 1.00 0.00 C ATOM 965 C ILE A 61 81.196 3.426 -0.059 1.00 0.00 C ATOM 966 O ILE A 61 82.069 4.155 0.376 1.00 0.00 O ATOM 967 CB ILE A 61 81.612 0.989 0.462 1.00 0.00 C ATOM 968 CG1 ILE A 61 82.085 -0.366 -0.114 1.00 0.00 C ATOM 969 CG2 ILE A 61 80.229 0.811 1.102 1.00 0.00 C ATOM 970 CD1 ILE A 61 81.156 -0.840 -1.243 1.00 0.00 C ATOM 0 H ILE A 61 83.672 1.947 -0.597 1.00 0.00 H new ATOM 0 HA ILE A 61 80.766 1.815 -1.381 1.00 0.00 H new ATOM 0 HB ILE A 61 82.327 1.324 1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.103 -0.269 -0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 61 82.110 -1.113 0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 61 80.286 0.057 1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 61 79.902 1.758 1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 61 79.515 0.491 0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 61 81.512 -1.795 -1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 61 80.144 -0.960 -0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 61 81.152 -0.102 -2.045 1.00 0.00 H new ATOM 982 N TYR A 62 79.933 3.779 -0.042 1.00 0.00 N ATOM 983 CA TYR A 62 79.526 5.109 0.509 1.00 0.00 C ATOM 984 C TYR A 62 79.132 4.973 1.982 1.00 0.00 C ATOM 985 O TYR A 62 78.172 4.303 2.313 1.00 0.00 O ATOM 986 CB TYR A 62 78.321 5.533 -0.329 1.00 0.00 C ATOM 987 CG TYR A 62 78.648 5.764 -1.785 1.00 0.00 C ATOM 988 CD1 TYR A 62 79.354 6.928 -2.176 1.00 0.00 C ATOM 989 CD2 TYR A 62 78.249 4.817 -2.759 1.00 0.00 C ATOM 990 CE1 TYR A 62 79.660 7.146 -3.541 1.00 0.00 C ATOM 991 CE2 TYR A 62 78.556 5.034 -4.125 1.00 0.00 C ATOM 992 CZ TYR A 62 79.261 6.199 -4.515 1.00 0.00 C ATOM 993 OH TYR A 62 79.560 6.410 -5.846 1.00 0.00 O ATOM 0 H TYR A 62 79.166 3.202 -0.387 1.00 0.00 H new ATOM 0 HA TYR A 62 80.334 5.840 0.462 1.00 0.00 H new ATOM 0 HB2 TYR A 62 77.550 4.766 -0.256 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.901 6.448 0.090 1.00 0.00 H new ATOM 0 HD1 TYR A 62 79.659 7.650 -1.433 1.00 0.00 H new ATOM 0 HD2 TYR A 62 77.711 3.929 -2.461 1.00 0.00 H new ATOM 0 HE1 TYR A 62 80.197 8.034 -3.839 1.00 0.00 H new ATOM 0 HE2 TYR A 62 78.253 4.312 -4.868 1.00 0.00 H new ATOM 0 HH TYR A 62 79.011 5.819 -6.402 1.00 0.00 H new ATOM 1003 N ASP A 63 79.874 5.602 2.865 1.00 0.00 N ATOM 1004 CA ASP A 63 79.538 5.559 4.333 1.00 0.00 C ATOM 1005 C ASP A 63 78.069 5.940 4.595 1.00 0.00 C ATOM 1006 O ASP A 63 77.403 5.335 5.415 1.00 0.00 O ATOM 1007 CB ASP A 63 80.480 6.583 4.995 1.00 0.00 C ATOM 1008 CG ASP A 63 80.267 7.979 4.393 1.00 0.00 C ATOM 1009 OD1 ASP A 63 80.935 8.291 3.421 1.00 0.00 O ATOM 1010 OD2 ASP A 63 79.441 8.709 4.916 1.00 0.00 O ATOM 0 H ASP A 63 80.704 6.148 2.633 1.00 0.00 H new ATOM 0 HA ASP A 63 79.666 4.553 4.734 1.00 0.00 H new ATOM 0 HB2 ASP A 63 80.297 6.612 6.069 1.00 0.00 H new ATOM 0 HB3 ASP A 63 81.516 6.275 4.856 1.00 0.00 H new ATOM 1015 N TYR A 64 77.571 6.936 3.903 1.00 0.00 N ATOM 1016 CA TYR A 64 76.190 7.440 4.185 1.00 0.00 C ATOM 1017 C TYR A 64 75.591 8.079 2.930 1.00 0.00 C ATOM 1018 O TYR A 64 76.214 8.904 2.288 1.00 0.00 O ATOM 1019 CB TYR A 64 76.375 8.493 5.282 1.00 0.00 C ATOM 1020 CG TYR A 64 75.084 8.952 5.928 1.00 0.00 C ATOM 1021 CD1 TYR A 64 74.113 9.657 5.169 1.00 0.00 C ATOM 1022 CD2 TYR A 64 74.850 8.689 7.299 1.00 0.00 C ATOM 1023 CE1 TYR A 64 72.915 10.094 5.783 1.00 0.00 C ATOM 1024 CE2 TYR A 64 73.651 9.126 7.911 1.00 0.00 C ATOM 1025 CZ TYR A 64 72.684 9.830 7.154 1.00 0.00 C ATOM 1026 OH TYR A 64 71.515 10.256 7.751 1.00 0.00 O ATOM 0 H TYR A 64 78.062 7.423 3.153 1.00 0.00 H new ATOM 0 HA TYR A 64 75.513 6.642 4.489 1.00 0.00 H new ATOM 0 HB2 TYR A 64 77.029 8.087 6.053 1.00 0.00 H new ATOM 0 HB3 TYR A 64 76.883 9.359 4.857 1.00 0.00 H new ATOM 0 HD1 TYR A 64 74.289 9.860 4.123 1.00 0.00 H new ATOM 0 HD2 TYR A 64 75.588 8.154 7.879 1.00 0.00 H new ATOM 0 HE1 TYR A 64 72.177 10.629 5.205 1.00 0.00 H new ATOM 0 HE2 TYR A 64 73.474 8.922 8.957 1.00 0.00 H new ATOM 0 HH TYR A 64 71.515 9.992 8.695 1.00 0.00 H new ATOM 1036 N ILE A 65 74.386 7.701 2.579 1.00 0.00 N ATOM 1037 CA ILE A 65 73.664 8.403 1.468 1.00 0.00 C ATOM 1038 C ILE A 65 72.252 8.793 1.927 1.00 0.00 C ATOM 1039 O ILE A 65 71.513 7.978 2.449 1.00 0.00 O ATOM 1040 CB ILE A 65 73.611 7.399 0.302 1.00 0.00 C ATOM 1041 CG1 ILE A 65 75.043 7.063 -0.147 1.00 0.00 C ATOM 1042 CG2 ILE A 65 72.840 8.014 -0.878 1.00 0.00 C ATOM 1043 CD1 ILE A 65 75.015 6.011 -1.263 1.00 0.00 C ATOM 0 H ILE A 65 73.869 6.936 3.013 1.00 0.00 H new ATOM 0 HA ILE A 65 74.166 9.323 1.168 1.00 0.00 H new ATOM 0 HB ILE A 65 73.105 6.491 0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 65 75.542 7.965 -0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 65 75.619 6.690 0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 65 72.805 7.300 -1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 65 71.825 8.255 -0.563 1.00 0.00 H new ATOM 0 HG23 ILE A 65 73.343 8.923 -1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 65 76.035 5.782 -1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 65 74.534 5.104 -0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 65 74.456 6.399 -2.115 1.00 0.00 H new ATOM 1055 N LEU A 66 71.884 10.037 1.733 1.00 0.00 N ATOM 1056 CA LEU A 66 70.497 10.483 2.069 1.00 0.00 C ATOM 1057 C LEU A 66 69.585 10.313 0.850 1.00 0.00 C ATOM 1058 O LEU A 66 69.963 10.630 -0.263 1.00 0.00 O ATOM 1059 CB LEU A 66 70.630 11.964 2.440 1.00 0.00 C ATOM 1060 CG LEU A 66 69.295 12.481 2.983 1.00 0.00 C ATOM 1061 CD1 LEU A 66 69.046 11.896 4.374 1.00 0.00 C ATOM 1062 CD2 LEU A 66 69.343 14.008 3.075 1.00 0.00 C ATOM 0 H LEU A 66 72.489 10.766 1.354 1.00 0.00 H new ATOM 0 HA LEU A 66 70.060 9.902 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.412 12.093 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.927 12.543 1.565 1.00 0.00 H new ATOM 0 HG LEU A 66 68.489 12.179 2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.095 12.265 4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 66 69.014 10.808 4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.851 12.197 5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 66 68.394 14.379 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 66 70.149 14.307 3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.520 14.427 2.084 1.00 0.00 H new ATOM 1074 N PHE A 67 68.389 9.815 1.056 1.00 0.00 N ATOM 1075 CA PHE A 67 67.478 9.532 -0.096 1.00 0.00 C ATOM 1076 C PHE A 67 66.059 10.024 0.210 1.00 0.00 C ATOM 1077 O PHE A 67 65.508 9.734 1.254 1.00 0.00 O ATOM 1078 CB PHE A 67 67.494 8.009 -0.244 1.00 0.00 C ATOM 1079 CG PHE A 67 68.578 7.489 -1.161 1.00 0.00 C ATOM 1080 CD1 PHE A 67 68.805 8.104 -2.417 1.00 0.00 C ATOM 1081 CD2 PHE A 67 69.353 6.370 -0.772 1.00 0.00 C ATOM 1082 CE1 PHE A 67 69.804 7.600 -3.280 1.00 0.00 C ATOM 1083 CE2 PHE A 67 70.357 5.868 -1.634 1.00 0.00 C ATOM 1084 CZ PHE A 67 70.583 6.483 -2.890 1.00 0.00 C ATOM 0 H PHE A 67 68.005 9.592 1.974 1.00 0.00 H new ATOM 0 HA PHE A 67 67.798 10.038 -1.007 1.00 0.00 H new ATOM 0 HB2 PHE A 67 67.620 7.560 0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 67 66.525 7.681 -0.622 1.00 0.00 H new ATOM 0 HD1 PHE A 67 68.215 8.958 -2.715 1.00 0.00 H new ATOM 0 HD2 PHE A 67 69.178 5.899 0.184 1.00 0.00 H new ATOM 0 HE1 PHE A 67 69.974 8.067 -4.239 1.00 0.00 H new ATOM 0 HE2 PHE A 67 70.950 5.017 -1.334 1.00 0.00 H new ATOM 0 HZ PHE A 67 71.348 6.101 -3.549 1.00 0.00 H new ATOM 1094 N ARG A 68 65.472 10.766 -0.697 1.00 0.00 N ATOM 1095 CA ARG A 68 64.039 11.165 -0.536 1.00 0.00 C ATOM 1096 C ARG A 68 63.122 10.136 -1.209 1.00 0.00 C ATOM 1097 O ARG A 68 63.475 9.534 -2.208 1.00 0.00 O ATOM 1098 CB ARG A 68 63.919 12.524 -1.233 1.00 0.00 C ATOM 1099 CG ARG A 68 64.736 13.568 -0.469 1.00 0.00 C ATOM 1100 CD ARG A 68 64.562 14.939 -1.133 1.00 0.00 C ATOM 1101 NE ARG A 68 65.554 15.836 -0.456 1.00 0.00 N ATOM 1102 CZ ARG A 68 65.922 16.984 -0.994 1.00 0.00 C ATOM 1103 NH1 ARG A 68 65.432 17.398 -2.140 1.00 0.00 N ATOM 1104 NH2 ARG A 68 66.793 17.728 -0.369 1.00 0.00 N ATOM 0 H ARG A 68 65.924 11.113 -1.543 1.00 0.00 H new ATOM 0 HA ARG A 68 63.744 11.218 0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 68 64.275 12.450 -2.260 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.874 12.829 -1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 68 64.410 13.611 0.570 1.00 0.00 H new ATOM 0 HG3 ARG A 68 65.789 13.287 -0.461 1.00 0.00 H new ATOM 0 HD2 ARG A 68 64.750 14.883 -2.205 1.00 0.00 H new ATOM 0 HD3 ARG A 68 63.545 15.311 -1.007 1.00 0.00 H new ATOM 0 HE ARG A 68 65.953 15.553 0.439 1.00 0.00 H new ATOM 0 HH11 ARG A 68 64.749 16.828 -2.638 1.00 0.00 H new ATOM 0 HH12 ARG A 68 65.735 18.290 -2.532 1.00 0.00 H new ATOM 0 HH21 ARG A 68 67.180 17.420 0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 68 67.087 18.618 -0.773 1.00 0.00 H new ATOM 1118 N GLY A 69 61.945 9.932 -0.666 1.00 0.00 N ATOM 1119 CA GLY A 69 60.982 8.958 -1.275 1.00 0.00 C ATOM 1120 C GLY A 69 60.649 9.361 -2.720 1.00 0.00 C ATOM 1121 O GLY A 69 60.290 8.528 -3.532 1.00 0.00 O ATOM 0 H GLY A 69 61.608 10.400 0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 69 61.411 7.956 -1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.068 8.922 -0.682 1.00 0.00 H new ATOM 1125 N SER A 70 60.765 10.629 -3.044 1.00 0.00 N ATOM 1126 CA SER A 70 60.417 11.094 -4.426 1.00 0.00 C ATOM 1127 C SER A 70 61.385 10.505 -5.462 1.00 0.00 C ATOM 1128 O SER A 70 60.982 10.129 -6.546 1.00 0.00 O ATOM 1129 CB SER A 70 60.546 12.618 -4.386 1.00 0.00 C ATOM 1130 OG SER A 70 59.726 13.131 -3.344 1.00 0.00 O ATOM 0 H SER A 70 61.086 11.361 -2.411 1.00 0.00 H new ATOM 0 HA SER A 70 59.416 10.774 -4.715 1.00 0.00 H new ATOM 0 HB2 SER A 70 61.585 12.902 -4.220 1.00 0.00 H new ATOM 0 HB3 SER A 70 60.247 13.045 -5.343 1.00 0.00 H new ATOM 0 HG SER A 70 59.807 14.107 -3.314 1.00 0.00 H new ATOM 1136 N ASP A 71 62.653 10.423 -5.135 1.00 0.00 N ATOM 1137 CA ASP A 71 63.663 9.961 -6.143 1.00 0.00 C ATOM 1138 C ASP A 71 63.701 8.430 -6.223 1.00 0.00 C ATOM 1139 O ASP A 71 63.951 7.869 -7.274 1.00 0.00 O ATOM 1140 CB ASP A 71 65.016 10.533 -5.679 1.00 0.00 C ATOM 1141 CG ASP A 71 65.384 10.001 -4.289 1.00 0.00 C ATOM 1142 OD1 ASP A 71 65.678 8.823 -4.186 1.00 0.00 O ATOM 1143 OD2 ASP A 71 65.371 10.784 -3.355 1.00 0.00 O ATOM 0 H ASP A 71 63.032 10.655 -4.217 1.00 0.00 H new ATOM 0 HA ASP A 71 63.413 10.308 -7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 71 65.794 10.264 -6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 71 64.967 11.622 -5.655 1.00 0.00 H new ATOM 1148 N ILE A 72 63.457 7.751 -5.126 1.00 0.00 N ATOM 1149 CA ILE A 72 63.424 6.254 -5.162 1.00 0.00 C ATOM 1150 C ILE A 72 61.975 5.754 -5.094 1.00 0.00 C ATOM 1151 O ILE A 72 61.150 6.296 -4.382 1.00 0.00 O ATOM 1152 CB ILE A 72 64.276 5.816 -3.956 1.00 0.00 C ATOM 1153 CG1 ILE A 72 65.756 5.923 -4.349 1.00 0.00 C ATOM 1154 CG2 ILE A 72 63.968 4.365 -3.554 1.00 0.00 C ATOM 1155 CD1 ILE A 72 66.605 6.192 -3.112 1.00 0.00 C ATOM 0 H ILE A 72 63.280 8.167 -4.212 1.00 0.00 H new ATOM 0 HA ILE A 72 63.824 5.832 -6.084 1.00 0.00 H new ATOM 0 HB ILE A 72 64.046 6.460 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 72 66.081 5.000 -4.830 1.00 0.00 H new ATOM 0 HG13 ILE A 72 65.891 6.725 -5.075 1.00 0.00 H new ATOM 0 HG21 ILE A 72 64.585 4.085 -2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 72 62.915 4.278 -3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 72 64.185 3.702 -4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 72 67.654 6.266 -3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 72 66.288 7.127 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 72 66.481 5.375 -2.401 1.00 0.00 H new ATOM 1167 N LYS A 73 61.674 4.715 -5.837 1.00 0.00 N ATOM 1168 CA LYS A 73 60.250 4.341 -6.078 1.00 0.00 C ATOM 1169 C LYS A 73 59.856 3.081 -5.298 1.00 0.00 C ATOM 1170 O LYS A 73 58.688 2.880 -5.012 1.00 0.00 O ATOM 1171 CB LYS A 73 60.162 4.083 -7.582 1.00 0.00 C ATOM 1172 CG LYS A 73 58.694 3.964 -7.996 1.00 0.00 C ATOM 1173 CD LYS A 73 58.607 3.652 -9.491 1.00 0.00 C ATOM 1174 CE LYS A 73 57.147 3.727 -9.944 1.00 0.00 C ATOM 1175 NZ LYS A 73 57.173 3.352 -11.386 1.00 0.00 N ATOM 0 H LYS A 73 62.360 4.109 -6.288 1.00 0.00 H new ATOM 0 HA LYS A 73 59.571 5.126 -5.745 1.00 0.00 H new ATOM 0 HB2 LYS A 73 60.640 4.895 -8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 73 60.698 3.168 -7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 73 58.206 3.177 -7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 73 58.167 4.893 -7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 73 59.211 4.361 -10.057 1.00 0.00 H new ATOM 0 HD3 LYS A 73 59.010 2.659 -9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 73 56.520 3.045 -9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 73 56.741 4.729 -9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 56.207 3.380 -11.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 57.772 4.022 -11.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 57.558 2.391 -11.488 1.00 0.00 H new ATOM 1189 N ASP A 74 60.797 2.231 -4.945 1.00 0.00 N ATOM 1190 CA ASP A 74 60.405 0.954 -4.260 1.00 0.00 C ATOM 1191 C ASP A 74 61.509 0.465 -3.317 1.00 0.00 C ATOM 1192 O ASP A 74 62.681 0.522 -3.630 1.00 0.00 O ATOM 1193 CB ASP A 74 60.171 -0.049 -5.390 1.00 0.00 C ATOM 1194 CG ASP A 74 59.515 -1.312 -4.826 1.00 0.00 C ATOM 1195 OD1 ASP A 74 60.244 -2.211 -4.437 1.00 0.00 O ATOM 1196 OD2 ASP A 74 58.297 -1.357 -4.791 1.00 0.00 O ATOM 0 H ASP A 74 61.797 2.362 -5.097 1.00 0.00 H new ATOM 0 HA ASP A 74 59.519 1.087 -3.640 1.00 0.00 H new ATOM 0 HB2 ASP A 74 59.534 0.393 -6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 74 61.117 -0.301 -5.868 1.00 0.00 H new ATOM 1201 N ILE A 75 61.120 -0.020 -2.158 1.00 0.00 N ATOM 1202 CA ILE A 75 62.113 -0.554 -1.178 1.00 0.00 C ATOM 1203 C ILE A 75 61.627 -1.903 -0.617 1.00 0.00 C ATOM 1204 O ILE A 75 60.444 -2.103 -0.409 1.00 0.00 O ATOM 1205 CB ILE A 75 62.197 0.516 -0.073 1.00 0.00 C ATOM 1206 CG1 ILE A 75 63.249 0.105 0.964 1.00 0.00 C ATOM 1207 CG2 ILE A 75 60.839 0.682 0.621 1.00 0.00 C ATOM 1208 CD1 ILE A 75 63.588 1.305 1.851 1.00 0.00 C ATOM 0 H ILE A 75 60.148 -0.067 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 75 63.089 -0.739 -1.627 1.00 0.00 H new ATOM 0 HB ILE A 75 62.479 1.465 -0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 75 62.872 -0.716 1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 75 64.147 -0.256 0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 75 60.918 1.442 1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 75 60.091 0.988 -0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 75 60.541 -0.266 1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 75 64.336 1.013 2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 75 63.982 2.113 1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 75 62.688 1.645 2.363 1.00 0.00 H new ATOM 1220 N ARG A 76 62.533 -2.819 -0.373 1.00 0.00 N ATOM 1221 CA ARG A 76 62.140 -4.153 0.181 1.00 0.00 C ATOM 1222 C ARG A 76 63.198 -4.641 1.176 1.00 0.00 C ATOM 1223 O ARG A 76 64.373 -4.690 0.867 1.00 0.00 O ATOM 1224 CB ARG A 76 62.074 -5.091 -1.029 1.00 0.00 C ATOM 1225 CG ARG A 76 60.752 -4.892 -1.775 1.00 0.00 C ATOM 1226 CD ARG A 76 59.615 -5.564 -0.996 1.00 0.00 C ATOM 1227 NE ARG A 76 59.897 -7.034 -1.072 1.00 0.00 N ATOM 1228 CZ ARG A 76 59.320 -7.889 -0.248 1.00 0.00 C ATOM 1229 NH1 ARG A 76 58.470 -7.493 0.672 1.00 0.00 N ATOM 1230 NH2 ARG A 76 59.600 -9.160 -0.351 1.00 0.00 N ATOM 0 H ARG A 76 63.533 -2.699 -0.535 1.00 0.00 H new ATOM 0 HA ARG A 76 61.190 -4.112 0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 76 62.912 -4.894 -1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 76 62.164 -6.127 -0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 76 60.546 -3.828 -1.893 1.00 0.00 H new ATOM 0 HG3 ARG A 76 60.821 -5.317 -2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 76 59.591 -5.221 0.038 1.00 0.00 H new ATOM 0 HD3 ARG A 76 58.645 -5.327 -1.433 1.00 0.00 H new ATOM 0 HE ARG A 76 60.549 -7.381 -1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 76 58.241 -6.503 0.763 1.00 0.00 H new ATOM 0 HH12 ARG A 76 58.039 -8.175 1.296 1.00 0.00 H new ATOM 0 HH21 ARG A 76 60.257 -9.481 -1.062 1.00 0.00 H new ATOM 0 HH22 ARG A 76 59.161 -9.832 0.279 1.00 0.00 H new ATOM 1244 N VAL A 77 62.786 -4.999 2.370 1.00 0.00 N ATOM 1245 CA VAL A 77 63.764 -5.490 3.393 1.00 0.00 C ATOM 1246 C VAL A 77 63.971 -7.007 3.253 1.00 0.00 C ATOM 1247 O VAL A 77 63.057 -7.735 2.910 1.00 0.00 O ATOM 1248 CB VAL A 77 63.145 -5.123 4.760 1.00 0.00 C ATOM 1249 CG1 VAL A 77 61.804 -5.845 4.970 1.00 0.00 C ATOM 1250 CG2 VAL A 77 64.111 -5.517 5.882 1.00 0.00 C ATOM 0 H VAL A 77 61.815 -4.972 2.680 1.00 0.00 H new ATOM 0 HA VAL A 77 64.749 -5.038 3.274 1.00 0.00 H new ATOM 0 HB VAL A 77 62.968 -4.048 4.778 1.00 0.00 H new ATOM 0 HG11 VAL A 77 61.390 -5.569 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 77 61.108 -5.556 4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 77 61.962 -6.923 4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 77 63.674 -5.258 6.846 1.00 0.00 H new ATOM 0 HG22 VAL A 77 64.295 -6.591 5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 77 65.053 -4.983 5.755 1.00 0.00 H new ATOM 1260 N VAL A 78 65.167 -7.480 3.513 1.00 0.00 N ATOM 1261 CA VAL A 78 65.441 -8.948 3.409 1.00 0.00 C ATOM 1262 C VAL A 78 65.349 -9.593 4.798 1.00 0.00 C ATOM 1263 O VAL A 78 65.895 -9.088 5.761 1.00 0.00 O ATOM 1264 CB VAL A 78 66.870 -9.056 2.851 1.00 0.00 C ATOM 1265 CG1 VAL A 78 67.246 -10.531 2.664 1.00 0.00 C ATOM 1266 CG2 VAL A 78 66.955 -8.346 1.495 1.00 0.00 C ATOM 0 H VAL A 78 65.966 -6.911 3.793 1.00 0.00 H new ATOM 0 HA VAL A 78 64.723 -9.461 2.769 1.00 0.00 H new ATOM 0 HB VAL A 78 67.558 -8.587 3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 78 68.259 -10.601 2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 78 67.195 -11.044 3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 78 66.551 -10.998 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 78 67.970 -8.426 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 78 66.260 -8.812 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 78 66.696 -7.294 1.618 1.00 0.00 H new ATOM 1276 N ASN A 79 64.662 -10.705 4.902 1.00 0.00 N ATOM 1277 CA ASN A 79 64.534 -11.400 6.221 1.00 0.00 C ATOM 1278 C ASN A 79 65.038 -12.843 6.110 1.00 0.00 C ATOM 1279 O ASN A 79 64.555 -13.614 5.301 1.00 0.00 O ATOM 1280 CB ASN A 79 63.038 -11.377 6.538 1.00 0.00 C ATOM 1281 CG ASN A 79 62.587 -9.935 6.781 1.00 0.00 C ATOM 1282 OD1 ASN A 79 63.226 -9.202 7.510 1.00 0.00 O ATOM 1283 ND2 ASN A 79 61.508 -9.494 6.196 1.00 0.00 N ATOM 0 H ASN A 79 64.183 -11.163 4.127 1.00 0.00 H new ATOM 0 HA ASN A 79 65.123 -10.917 7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 79 62.474 -11.811 5.712 1.00 0.00 H new ATOM 0 HB3 ASN A 79 62.833 -11.986 7.418 1.00 0.00 H new ATOM 0 HD21 ASN A 79 61.200 -8.534 6.350 1.00 0.00 H new ATOM 0 HD22 ASN A 79 60.972 -10.109 5.584 1.00 0.00 H new ATOM 1290 N ASN A 80 66.006 -13.208 6.918 1.00 0.00 N ATOM 1291 CA ASN A 80 66.542 -14.608 6.876 1.00 0.00 C ATOM 1292 C ASN A 80 65.464 -15.604 7.319 1.00 0.00 C ATOM 1293 O ASN A 80 65.367 -16.697 6.792 1.00 0.00 O ATOM 1294 CB ASN A 80 67.719 -14.625 7.857 1.00 0.00 C ATOM 1295 CG ASN A 80 68.545 -15.894 7.642 1.00 0.00 C ATOM 1296 OD1 ASN A 80 68.903 -16.218 6.526 1.00 0.00 O ATOM 1297 ND2 ASN A 80 68.866 -16.631 8.669 1.00 0.00 N ATOM 0 H ASN A 80 66.448 -12.597 7.605 1.00 0.00 H new ATOM 0 HA ASN A 80 66.849 -14.895 5.870 1.00 0.00 H new ATOM 0 HB2 ASN A 80 68.342 -13.743 7.709 1.00 0.00 H new ATOM 0 HB3 ASN A 80 67.352 -14.587 8.883 1.00 0.00 H new ATOM 0 HD21 ASN A 80 69.417 -17.479 8.536 1.00 0.00 H new ATOM 0 HD22 ASN A 80 68.566 -16.360 9.605 1.00 0.00 H new ATOM 1304 N HIS A 81 64.658 -15.228 8.282 1.00 0.00 N ATOM 1305 CA HIS A 81 63.566 -16.133 8.756 1.00 0.00 C ATOM 1306 C HIS A 81 62.200 -15.529 8.421 1.00 0.00 C ATOM 1307 O HIS A 81 61.942 -14.370 8.695 1.00 0.00 O ATOM 1308 CB HIS A 81 63.755 -16.222 10.270 1.00 0.00 C ATOM 1309 CG HIS A 81 65.010 -16.946 10.677 1.00 0.00 C ATOM 1310 ND1 HIS A 81 65.009 -18.290 11.020 1.00 0.00 N ATOM 1311 CD2 HIS A 81 66.312 -16.529 10.798 1.00 0.00 C ATOM 1312 CE1 HIS A 81 66.274 -18.629 11.330 1.00 0.00 C ATOM 1313 NE2 HIS A 81 67.109 -17.593 11.212 1.00 0.00 N ATOM 0 H HIS A 81 64.710 -14.329 8.762 1.00 0.00 H new ATOM 0 HA HIS A 81 63.606 -17.114 8.282 1.00 0.00 H new ATOM 0 HB2 HIS A 81 63.775 -15.214 10.685 1.00 0.00 H new ATOM 0 HB3 HIS A 81 62.895 -16.729 10.706 1.00 0.00 H new ATOM 0 HD2 HIS A 81 66.665 -15.527 10.602 1.00 0.00 H new ATOM 0 HE1 HIS A 81 66.577 -19.619 11.637 1.00 0.00 H new ATOM 0 HE2 HIS A 81 68.114 -17.583 11.387 1.00 0.00 H new ATOM 1321 N THR A 82 61.325 -16.308 7.831 1.00 0.00 N ATOM 1322 CA THR A 82 59.969 -15.791 7.469 1.00 0.00 C ATOM 1323 C THR A 82 58.885 -16.705 8.047 1.00 0.00 C ATOM 1324 O THR A 82 59.004 -17.916 8.016 1.00 0.00 O ATOM 1325 CB THR A 82 59.934 -15.814 5.939 1.00 0.00 C ATOM 1326 OG1 THR A 82 61.084 -15.154 5.432 1.00 0.00 O ATOM 1327 CG2 THR A 82 58.675 -15.100 5.444 1.00 0.00 C ATOM 0 H THR A 82 61.493 -17.283 7.584 1.00 0.00 H new ATOM 0 HA THR A 82 59.786 -14.792 7.865 1.00 0.00 H new ATOM 0 HB THR A 82 59.923 -16.847 5.591 1.00 0.00 H new ATOM 0 HG1 THR A 82 61.065 -15.169 4.452 1.00 0.00 H new ATOM 0 HG21 THR A 82 58.652 -15.117 4.354 1.00 0.00 H new ATOM 0 HG22 THR A 82 57.792 -15.607 5.834 1.00 0.00 H new ATOM 0 HG23 THR A 82 58.683 -14.067 5.790 1.00 0.00 H new ATOM 1335 N LEU A 83 57.831 -16.129 8.573 1.00 0.00 N ATOM 1336 CA LEU A 83 56.723 -16.952 9.149 1.00 0.00 C ATOM 1337 C LEU A 83 55.376 -16.523 8.548 1.00 0.00 C ATOM 1338 O LEU A 83 55.261 -15.426 8.033 1.00 0.00 O ATOM 1339 CB LEU A 83 56.756 -16.664 10.651 1.00 0.00 C ATOM 1340 CG LEU A 83 57.942 -17.392 11.285 1.00 0.00 C ATOM 1341 CD1 LEU A 83 58.237 -16.787 12.658 1.00 0.00 C ATOM 1342 CD2 LEU A 83 57.602 -18.876 11.445 1.00 0.00 C ATOM 0 H LEU A 83 57.691 -15.120 8.628 1.00 0.00 H new ATOM 0 HA LEU A 83 56.842 -18.014 8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 83 56.840 -15.591 10.824 1.00 0.00 H new ATOM 0 HB3 LEU A 83 55.825 -16.990 11.115 1.00 0.00 H new ATOM 0 HG LEU A 83 58.818 -17.286 10.645 1.00 0.00 H new ATOM 0 HD11 LEU A 83 59.082 -17.306 13.110 1.00 0.00 H new ATOM 0 HD12 LEU A 83 58.478 -15.730 12.546 1.00 0.00 H new ATOM 0 HD13 LEU A 83 57.361 -16.894 13.298 1.00 0.00 H new ATOM 0 HD21 LEU A 83 58.447 -19.396 11.897 1.00 0.00 H new ATOM 0 HD22 LEU A 83 56.726 -18.982 12.085 1.00 0.00 H new ATOM 0 HD23 LEU A 83 57.391 -19.308 10.467 1.00 0.00 H new ATOM 1354 N PRO A 84 54.393 -17.399 8.629 1.00 0.00 N ATOM 1355 CA PRO A 84 53.047 -17.081 8.081 1.00 0.00 C ATOM 1356 C PRO A 84 52.382 -15.977 8.911 1.00 0.00 C ATOM 1357 O PRO A 84 53.086 -15.321 9.661 1.00 0.00 O ATOM 1358 CB PRO A 84 52.275 -18.396 8.205 1.00 0.00 C ATOM 1359 CG PRO A 84 52.997 -19.182 9.253 1.00 0.00 C ATOM 1360 CD PRO A 84 54.437 -18.745 9.226 1.00 0.00 C ATOM 1361 OXT PRO A 84 51.182 -15.807 8.780 1.00 0.00 O ATOM 0 HA PRO A 84 53.082 -16.715 7.055 1.00 0.00 H new ATOM 0 HB2 PRO A 84 51.239 -18.218 8.492 1.00 0.00 H new ATOM 0 HB3 PRO A 84 52.256 -18.931 7.256 1.00 0.00 H new ATOM 0 HG2 PRO A 84 52.560 -19.005 10.236 1.00 0.00 H new ATOM 0 HG3 PRO A 84 52.916 -20.251 9.056 1.00 0.00 H new ATOM 0 HD2 PRO A 84 54.866 -18.723 10.228 1.00 0.00 H new ATOM 0 HD3 PRO A 84 55.049 -19.424 8.633 1.00 0.00 H new TER 1369 PRO A 84