USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 591 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 1 MET N :NH3+ -116:sc= 0.315 (180deg=-4!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 1.03 USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.00947) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.073 K(o=-0.073,f=-0.92) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0245) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 16 THR OG1 : rot -64:sc= 0.883 USER MOD Single : A 17 SER OG : rot -68:sc= 0.762 USER MOD Single : A 19 THR OG1 : rot 170:sc= 0.0433 USER MOD Single : A 22 ASN : amide:sc= -0.0454 K(o=-0.045,f=-2.5!) USER MOD Single : A 23 THR OG1 : rot 161:sc= 1.26 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -75:sc= 0.967 USER MOD Single : A 40 ASN :FLIP amide:sc= 0.42 F(o=-0.89,f=0.42) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.611 USER MOD Single : A 47 GLN : amide:sc= -0.171 K(o=-0.17,f=-0.79) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc=-0.00644 X(o=-0.0064,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= 0.102 (180deg=0.0632) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 53:sc= -0.0616! USER MOD Single : A 69 HIS : no HE2:sc= -3.27 X(o=-3.3,f=-3.7) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.232 -0.313 0.168 1.00 23.11 N ATOM 2 CA MET A 1 2.013 -0.340 -1.063 1.00 64.40 C ATOM 3 C MET A 1 1.330 -1.200 -2.122 1.00 13.33 C ATOM 4 O MET A 1 0.863 -0.691 -3.142 1.00 34.32 O ATOM 5 CB MET A 1 3.421 -0.873 -0.788 1.00 32.53 C ATOM 6 CG MET A 1 4.444 -0.455 -1.831 1.00 1.43 C ATOM 7 SD MET A 1 6.136 -0.531 -1.213 1.00 65.44 S ATOM 8 CE MET A 1 6.321 -2.293 -0.949 1.00 72.31 C ATOM 0 H1 MET A 1 0.903 0.657 0.349 1.00 23.11 H new ATOM 0 H2 MET A 1 0.411 -0.945 0.072 1.00 23.11 H new ATOM 0 H3 MET A 1 1.824 -0.632 0.962 1.00 23.11 H new ATOM 0 HA MET A 1 2.085 0.680 -1.440 1.00 64.40 H new ATOM 0 HB2 MET A 1 3.748 -0.523 0.191 1.00 32.53 H new ATOM 0 HB3 MET A 1 3.386 -1.961 -0.741 1.00 32.53 H new ATOM 0 HG2 MET A 1 4.351 -1.100 -2.705 1.00 1.43 H new ATOM 0 HG3 MET A 1 4.227 0.561 -2.161 1.00 1.43 H new ATOM 0 HE1 MET A 1 7.342 -2.508 -0.634 1.00 72.31 H new ATOM 0 HE2 MET A 1 5.626 -2.620 -0.176 1.00 72.31 H new ATOM 0 HE3 MET A 1 6.108 -2.824 -1.877 1.00 72.31 H new ATOM 18 N LEU A 2 1.274 -2.504 -1.874 1.00 4.44 N ATOM 19 CA LEU A 2 0.648 -3.434 -2.806 1.00 74.01 C ATOM 20 C LEU A 2 -0.693 -3.924 -2.268 1.00 23.43 C ATOM 21 O LEU A 2 -0.775 -4.438 -1.151 1.00 50.30 O ATOM 22 CB LEU A 2 1.572 -4.625 -3.068 1.00 14.33 C ATOM 23 CG LEU A 2 0.935 -5.829 -3.763 1.00 15.44 C ATOM 24 CD1 LEU A 2 1.948 -6.528 -4.654 1.00 64.33 C ATOM 25 CD2 LEU A 2 0.366 -6.798 -2.736 1.00 51.52 C ATOM 0 H LEU A 2 1.655 -2.941 -1.035 1.00 4.44 H new ATOM 0 HA LEU A 2 0.472 -2.907 -3.743 1.00 74.01 H new ATOM 0 HB2 LEU A 2 2.410 -4.282 -3.675 1.00 14.33 H new ATOM 0 HB3 LEU A 2 1.983 -4.957 -2.115 1.00 14.33 H new ATOM 0 HG LEU A 2 0.117 -5.472 -4.389 1.00 15.44 H new ATOM 0 HD11 LEU A 2 1.477 -7.382 -5.140 1.00 64.33 H new ATOM 0 HD12 LEU A 2 2.307 -5.832 -5.412 1.00 64.33 H new ATOM 0 HD13 LEU A 2 2.788 -6.872 -4.050 1.00 64.33 H new ATOM 0 HD21 LEU A 2 -0.083 -7.649 -3.248 1.00 51.52 H new ATOM 0 HD22 LEU A 2 1.166 -7.148 -2.084 1.00 51.52 H new ATOM 0 HD23 LEU A 2 -0.393 -6.292 -2.139 1.00 51.52 H new ATOM 37 N LEU A 3 -1.740 -3.765 -3.069 1.00 71.10 N ATOM 38 CA LEU A 3 -3.078 -4.194 -2.674 1.00 45.24 C ATOM 39 C LEU A 3 -3.810 -4.840 -3.846 1.00 20.22 C ATOM 40 O LEU A 3 -3.599 -4.474 -5.002 1.00 55.13 O ATOM 41 CB LEU A 3 -3.882 -3.003 -2.149 1.00 60.34 C ATOM 42 CG LEU A 3 -4.490 -2.084 -3.210 1.00 21.35 C ATOM 43 CD1 LEU A 3 -5.430 -1.077 -2.567 1.00 11.44 C ATOM 44 CD2 LEU A 3 -3.394 -1.372 -3.990 1.00 35.13 C ATOM 0 H LEU A 3 -1.689 -3.342 -3.996 1.00 71.10 H new ATOM 0 HA LEU A 3 -2.977 -4.934 -1.880 1.00 45.24 H new ATOM 0 HB2 LEU A 3 -4.688 -3.383 -1.521 1.00 60.34 H new ATOM 0 HB3 LEU A 3 -3.233 -2.406 -1.509 1.00 60.34 H new ATOM 0 HG LEU A 3 -5.065 -2.694 -3.906 1.00 21.35 H new ATOM 0 HD11 LEU A 3 -5.853 -0.431 -3.337 1.00 11.44 H new ATOM 0 HD12 LEU A 3 -6.234 -1.605 -2.054 1.00 11.44 H new ATOM 0 HD13 LEU A 3 -4.878 -0.471 -1.849 1.00 11.44 H new ATOM 0 HD21 LEU A 3 -3.845 -0.723 -4.740 1.00 35.13 H new ATOM 0 HD22 LEU A 3 -2.791 -0.773 -3.307 1.00 35.13 H new ATOM 0 HD23 LEU A 3 -2.760 -2.109 -4.482 1.00 35.13 H new ATOM 56 N LYS A 4 -4.673 -5.803 -3.539 1.00 0.32 N ATOM 57 CA LYS A 4 -5.440 -6.499 -4.565 1.00 15.33 C ATOM 58 C LYS A 4 -6.918 -6.129 -4.483 1.00 71.12 C ATOM 59 O LYS A 4 -7.605 -6.484 -3.526 1.00 33.34 O ATOM 60 CB LYS A 4 -5.274 -8.013 -4.416 1.00 44.34 C ATOM 61 CG LYS A 4 -6.224 -8.817 -5.286 1.00 65.44 C ATOM 62 CD LYS A 4 -5.932 -10.306 -5.201 1.00 32.32 C ATOM 63 CE LYS A 4 -6.796 -10.984 -4.148 1.00 2.54 C ATOM 64 NZ LYS A 4 -7.278 -12.318 -4.600 1.00 53.31 N ATOM 0 H LYS A 4 -4.859 -6.119 -2.587 1.00 0.32 H new ATOM 0 HA LYS A 4 -5.059 -6.192 -5.539 1.00 15.33 H new ATOM 0 HB2 LYS A 4 -4.248 -8.284 -4.666 1.00 44.34 H new ATOM 0 HB3 LYS A 4 -5.431 -8.286 -3.373 1.00 44.34 H new ATOM 0 HG2 LYS A 4 -7.252 -8.628 -4.975 1.00 65.44 H new ATOM 0 HG3 LYS A 4 -6.138 -8.487 -6.321 1.00 65.44 H new ATOM 0 HD2 LYS A 4 -6.109 -10.769 -6.172 1.00 32.32 H new ATOM 0 HD3 LYS A 4 -4.879 -10.458 -4.963 1.00 32.32 H new ATOM 0 HE2 LYS A 4 -6.224 -11.098 -3.227 1.00 2.54 H new ATOM 0 HE3 LYS A 4 -7.651 -10.349 -3.916 1.00 2.54 H new ATOM 0 HZ1 LYS A 4 -7.863 -12.747 -3.854 1.00 53.31 H new ATOM 0 HZ2 LYS A 4 -7.845 -12.207 -5.465 1.00 53.31 H new ATOM 0 HZ3 LYS A 4 -6.463 -12.933 -4.797 1.00 53.31 H new ATOM 78 N VAL A 5 -7.402 -5.415 -5.495 1.00 4.02 N ATOM 79 CA VAL A 5 -8.799 -5.000 -5.539 1.00 5.33 C ATOM 80 C VAL A 5 -9.582 -5.813 -6.563 1.00 44.23 C ATOM 81 O VAL A 5 -9.210 -5.879 -7.735 1.00 52.13 O ATOM 82 CB VAL A 5 -8.929 -3.503 -5.879 1.00 62.20 C ATOM 83 CG1 VAL A 5 -8.351 -2.649 -4.761 1.00 10.10 C ATOM 84 CG2 VAL A 5 -8.245 -3.197 -7.203 1.00 10.11 C ATOM 0 H VAL A 5 -6.847 -5.112 -6.295 1.00 4.02 H new ATOM 0 HA VAL A 5 -9.213 -5.177 -4.546 1.00 5.33 H new ATOM 0 HB VAL A 5 -9.987 -3.261 -5.978 1.00 62.20 H new ATOM 0 HG11 VAL A 5 -8.452 -1.595 -5.019 1.00 10.10 H new ATOM 0 HG12 VAL A 5 -8.890 -2.849 -3.835 1.00 10.10 H new ATOM 0 HG13 VAL A 5 -7.297 -2.890 -4.627 1.00 10.10 H new ATOM 0 HG21 VAL A 5 -8.346 -2.135 -7.428 1.00 10.11 H new ATOM 0 HG22 VAL A 5 -7.188 -3.454 -7.134 1.00 10.11 H new ATOM 0 HG23 VAL A 5 -8.710 -3.782 -7.996 1.00 10.11 H new ATOM 94 N LYS A 6 -10.669 -6.431 -6.114 1.00 43.22 N ATOM 95 CA LYS A 6 -11.507 -7.239 -6.991 1.00 73.13 C ATOM 96 C LYS A 6 -12.953 -6.754 -6.960 1.00 32.30 C ATOM 97 O LYS A 6 -13.558 -6.639 -5.893 1.00 61.13 O ATOM 98 CB LYS A 6 -11.443 -8.711 -6.578 1.00 62.22 C ATOM 99 CG LYS A 6 -11.686 -8.938 -5.096 1.00 71.32 C ATOM 100 CD LYS A 6 -12.836 -9.903 -4.861 1.00 71.34 C ATOM 101 CE LYS A 6 -12.448 -11.330 -5.217 1.00 23.31 C ATOM 102 NZ LYS A 6 -12.817 -12.290 -4.140 1.00 23.31 N ATOM 0 H LYS A 6 -10.990 -6.387 -5.147 1.00 43.22 H new ATOM 0 HA LYS A 6 -11.129 -7.137 -8.008 1.00 73.13 H new ATOM 0 HB2 LYS A 6 -12.183 -9.272 -7.149 1.00 62.22 H new ATOM 0 HB3 LYS A 6 -10.465 -9.112 -6.843 1.00 62.22 H new ATOM 0 HG2 LYS A 6 -10.780 -9.330 -4.634 1.00 71.32 H new ATOM 0 HG3 LYS A 6 -11.904 -7.986 -4.612 1.00 71.32 H new ATOM 0 HD2 LYS A 6 -13.142 -9.858 -3.816 1.00 71.34 H new ATOM 0 HD3 LYS A 6 -13.695 -9.599 -5.458 1.00 71.34 H new ATOM 0 HE2 LYS A 6 -12.940 -11.619 -6.146 1.00 23.31 H new ATOM 0 HE3 LYS A 6 -11.374 -11.380 -5.396 1.00 23.31 H new ATOM 0 HZ1 LYS A 6 -12.536 -13.251 -4.421 1.00 23.31 H new ATOM 0 HZ2 LYS A 6 -12.328 -12.029 -3.260 1.00 23.31 H new ATOM 0 HZ3 LYS A 6 -13.845 -12.261 -3.986 1.00 23.31 H new ATOM 116 N THR A 7 -13.504 -6.472 -8.137 1.00 21.42 N ATOM 117 CA THR A 7 -14.879 -6.001 -8.244 1.00 4.40 C ATOM 118 C THR A 7 -15.857 -7.168 -8.302 1.00 15.20 C ATOM 119 O THR A 7 -15.456 -8.321 -8.456 1.00 24.24 O ATOM 120 CB THR A 7 -15.074 -5.119 -9.492 1.00 13.23 C ATOM 121 OG1 THR A 7 -13.805 -4.814 -10.080 1.00 1.41 O ATOM 122 CG2 THR A 7 -15.797 -3.829 -9.135 1.00 2.44 C ATOM 0 H THR A 7 -13.018 -6.562 -9.030 1.00 21.42 H new ATOM 0 HA THR A 7 -15.080 -5.407 -7.353 1.00 4.40 H new ATOM 0 HB THR A 7 -15.682 -5.671 -10.209 1.00 13.23 H new ATOM 0 HG1 THR A 7 -13.938 -4.255 -10.874 1.00 1.41 H new ATOM 0 HG21 THR A 7 -15.923 -3.223 -10.032 1.00 2.44 H new ATOM 0 HG22 THR A 7 -16.775 -4.064 -8.715 1.00 2.44 H new ATOM 0 HG23 THR A 7 -15.211 -3.275 -8.402 1.00 2.44 H new ATOM 130 N VAL A 8 -17.145 -6.861 -8.179 1.00 30.02 N ATOM 131 CA VAL A 8 -18.182 -7.885 -8.219 1.00 51.01 C ATOM 132 C VAL A 8 -18.270 -8.524 -9.601 1.00 14.34 C ATOM 133 O VAL A 8 -18.930 -9.547 -9.782 1.00 21.24 O ATOM 134 CB VAL A 8 -19.559 -7.304 -7.845 1.00 61.52 C ATOM 135 CG1 VAL A 8 -20.024 -6.311 -8.899 1.00 4.43 C ATOM 136 CG2 VAL A 8 -20.577 -8.421 -7.668 1.00 0.24 C ATOM 0 H VAL A 8 -17.495 -5.911 -8.051 1.00 30.02 H new ATOM 0 HA VAL A 8 -17.906 -8.645 -7.488 1.00 51.01 H new ATOM 0 HB VAL A 8 -19.465 -6.774 -6.897 1.00 61.52 H new ATOM 0 HG11 VAL A 8 -20.998 -5.911 -8.618 1.00 4.43 H new ATOM 0 HG12 VAL A 8 -19.305 -5.495 -8.973 1.00 4.43 H new ATOM 0 HG13 VAL A 8 -20.103 -6.814 -9.863 1.00 4.43 H new ATOM 0 HG21 VAL A 8 -21.544 -7.993 -7.404 1.00 0.24 H new ATOM 0 HG22 VAL A 8 -20.669 -8.980 -8.599 1.00 0.24 H new ATOM 0 HG23 VAL A 8 -20.248 -9.091 -6.874 1.00 0.24 H new ATOM 146 N SER A 9 -17.601 -7.913 -10.573 1.00 3.22 N ATOM 147 CA SER A 9 -17.606 -8.420 -11.940 1.00 41.10 C ATOM 148 C SER A 9 -16.484 -9.433 -12.148 1.00 11.20 C ATOM 149 O SER A 9 -16.170 -9.805 -13.278 1.00 14.41 O ATOM 150 CB SER A 9 -17.458 -7.267 -12.935 1.00 11.14 C ATOM 151 OG SER A 9 -18.725 -6.790 -13.355 1.00 23.13 O ATOM 0 H SER A 9 -17.049 -7.066 -10.439 1.00 3.22 H new ATOM 0 HA SER A 9 -18.560 -8.919 -12.112 1.00 41.10 H new ATOM 0 HB2 SER A 9 -16.895 -6.455 -12.475 1.00 11.14 H new ATOM 0 HB3 SER A 9 -16.886 -7.601 -13.801 1.00 11.14 H new ATOM 0 HG SER A 9 -18.603 -6.053 -13.989 1.00 23.13 H new ATOM 157 N ASN A 10 -15.883 -9.875 -11.048 1.00 34.10 N ATOM 158 CA ASN A 10 -14.796 -10.845 -11.108 1.00 44.24 C ATOM 159 C ASN A 10 -13.556 -10.232 -11.752 1.00 42.05 C ATOM 160 O ASN A 10 -12.832 -10.900 -12.491 1.00 43.43 O ATOM 161 CB ASN A 10 -15.232 -12.084 -11.893 1.00 11.31 C ATOM 162 CG ASN A 10 -14.863 -13.374 -11.187 1.00 71.43 C ATOM 163 OD1 ASN A 10 -13.924 -13.414 -10.392 1.00 13.41 O ATOM 164 ND2 ASN A 10 -15.602 -14.439 -11.477 1.00 14.13 N ATOM 0 H ASN A 10 -16.130 -9.577 -10.104 1.00 34.10 H new ATOM 0 HA ASN A 10 -14.548 -11.139 -10.088 1.00 44.24 H new ATOM 0 HB2 ASN A 10 -16.311 -12.053 -12.047 1.00 11.31 H new ATOM 0 HB3 ASN A 10 -14.769 -12.067 -12.880 1.00 11.31 H new ATOM 0 HD21 ASN A 10 -15.400 -15.336 -11.034 1.00 14.13 H new ATOM 0 HD22 ASN A 10 -16.371 -14.360 -12.142 1.00 14.13 H new ATOM 171 N LYS A 11 -13.316 -8.957 -11.467 1.00 14.43 N ATOM 172 CA LYS A 11 -12.164 -8.252 -12.015 1.00 64.44 C ATOM 173 C LYS A 11 -11.137 -7.959 -10.926 1.00 43.45 C ATOM 174 O LYS A 11 -11.192 -6.918 -10.271 1.00 52.34 O ATOM 175 CB LYS A 11 -12.606 -6.947 -12.679 1.00 54.44 C ATOM 176 CG LYS A 11 -13.346 -7.151 -13.990 1.00 71.11 C ATOM 177 CD LYS A 11 -13.549 -5.838 -14.727 1.00 3.31 C ATOM 178 CE LYS A 11 -14.581 -5.974 -15.835 1.00 51.05 C ATOM 179 NZ LYS A 11 -14.161 -6.963 -16.866 1.00 63.13 N ATOM 0 H LYS A 11 -13.906 -8.390 -10.858 1.00 14.43 H new ATOM 0 HA LYS A 11 -11.700 -8.894 -12.764 1.00 64.44 H new ATOM 0 HB2 LYS A 11 -13.249 -6.398 -11.990 1.00 54.44 H new ATOM 0 HB3 LYS A 11 -11.729 -6.326 -12.860 1.00 54.44 H new ATOM 0 HG2 LYS A 11 -12.786 -7.841 -14.621 1.00 71.11 H new ATOM 0 HG3 LYS A 11 -14.314 -7.613 -13.794 1.00 71.11 H new ATOM 0 HD2 LYS A 11 -13.869 -5.070 -14.023 1.00 3.31 H new ATOM 0 HD3 LYS A 11 -12.601 -5.507 -15.150 1.00 3.31 H new ATOM 0 HE2 LYS A 11 -15.536 -6.279 -15.407 1.00 51.05 H new ATOM 0 HE3 LYS A 11 -14.739 -5.004 -16.306 1.00 51.05 H new ATOM 0 HZ1 LYS A 11 -14.840 -6.953 -17.654 1.00 63.13 H new ATOM 0 HZ2 LYS A 11 -13.216 -6.714 -17.221 1.00 63.13 H new ATOM 0 HZ3 LYS A 11 -14.134 -7.913 -16.445 1.00 63.13 H new ATOM 193 N VAL A 12 -10.199 -8.882 -10.739 1.00 42.21 N ATOM 194 CA VAL A 12 -9.158 -8.720 -9.731 1.00 64.34 C ATOM 195 C VAL A 12 -7.910 -8.080 -10.328 1.00 44.15 C ATOM 196 O VAL A 12 -7.441 -8.484 -11.393 1.00 55.34 O ATOM 197 CB VAL A 12 -8.775 -10.071 -9.098 1.00 31.20 C ATOM 198 CG1 VAL A 12 -7.860 -9.860 -7.902 1.00 23.13 C ATOM 199 CG2 VAL A 12 -10.023 -10.843 -8.695 1.00 41.44 C ATOM 0 H VAL A 12 -10.139 -9.749 -11.272 1.00 42.21 H new ATOM 0 HA VAL A 12 -9.564 -8.067 -8.959 1.00 64.34 H new ATOM 0 HB VAL A 12 -8.234 -10.660 -9.839 1.00 31.20 H new ATOM 0 HG11 VAL A 12 -7.600 -10.825 -7.468 1.00 23.13 H new ATOM 0 HG12 VAL A 12 -6.952 -9.351 -8.224 1.00 23.13 H new ATOM 0 HG13 VAL A 12 -8.371 -9.252 -7.155 1.00 23.13 H new ATOM 0 HG21 VAL A 12 -9.734 -11.795 -8.250 1.00 41.44 H new ATOM 0 HG22 VAL A 12 -10.593 -10.261 -7.970 1.00 41.44 H new ATOM 0 HG23 VAL A 12 -10.638 -11.027 -9.576 1.00 41.44 H new ATOM 209 N ILE A 13 -7.375 -7.080 -9.636 1.00 32.04 N ATOM 210 CA ILE A 13 -6.180 -6.385 -10.097 1.00 0.32 C ATOM 211 C ILE A 13 -5.175 -6.208 -8.963 1.00 51.15 C ATOM 212 O ILE A 13 -5.453 -5.528 -7.976 1.00 21.42 O ATOM 213 CB ILE A 13 -6.524 -5.003 -10.683 1.00 43.24 C ATOM 214 CG1 ILE A 13 -7.573 -5.140 -11.788 1.00 61.35 C ATOM 215 CG2 ILE A 13 -5.269 -4.327 -11.217 1.00 74.33 C ATOM 216 CD1 ILE A 13 -7.102 -5.959 -12.970 1.00 72.01 C ATOM 0 H ILE A 13 -7.751 -6.733 -8.753 1.00 32.04 H new ATOM 0 HA ILE A 13 -5.737 -7.002 -10.879 1.00 0.32 H new ATOM 0 HB ILE A 13 -6.939 -4.381 -9.890 1.00 43.24 H new ATOM 0 HG12 ILE A 13 -8.469 -5.600 -11.372 1.00 61.35 H new ATOM 0 HG13 ILE A 13 -7.856 -4.146 -12.135 1.00 61.35 H new ATOM 0 HG21 ILE A 13 -5.528 -3.351 -11.628 1.00 74.33 H new ATOM 0 HG22 ILE A 13 -4.551 -4.200 -10.407 1.00 74.33 H new ATOM 0 HG23 ILE A 13 -4.828 -4.945 -11.999 1.00 74.33 H new ATOM 0 HD11 ILE A 13 -7.897 -6.014 -13.714 1.00 72.01 H new ATOM 0 HD12 ILE A 13 -6.223 -5.489 -13.411 1.00 72.01 H new ATOM 0 HD13 ILE A 13 -6.846 -6.965 -12.637 1.00 72.01 H new ATOM 228 N GLN A 14 -4.007 -6.823 -9.115 1.00 5.32 N ATOM 229 CA GLN A 14 -2.960 -6.732 -8.104 1.00 4.10 C ATOM 230 C GLN A 14 -1.874 -5.750 -8.532 1.00 2.15 C ATOM 231 O GLN A 14 -1.146 -5.995 -9.494 1.00 54.24 O ATOM 232 CB GLN A 14 -2.346 -8.110 -7.850 1.00 11.24 C ATOM 233 CG GLN A 14 -1.875 -8.809 -9.115 1.00 33.24 C ATOM 234 CD GLN A 14 -2.703 -10.035 -9.446 1.00 22.30 C ATOM 235 OE1 GLN A 14 -3.834 -9.926 -9.920 1.00 42.44 O ATOM 236 NE2 GLN A 14 -2.142 -11.213 -9.197 1.00 72.15 N ATOM 0 H GLN A 14 -3.762 -7.389 -9.927 1.00 5.32 H new ATOM 0 HA GLN A 14 -3.411 -6.367 -7.181 1.00 4.10 H new ATOM 0 HB2 GLN A 14 -1.502 -8.002 -7.169 1.00 11.24 H new ATOM 0 HB3 GLN A 14 -3.082 -8.740 -7.349 1.00 11.24 H new ATOM 0 HG2 GLN A 14 -1.918 -8.110 -9.950 1.00 33.24 H new ATOM 0 HG3 GLN A 14 -0.831 -9.101 -8.997 1.00 33.24 H new ATOM 0 HE21 GLN A 14 -1.202 -11.257 -8.804 1.00 72.15 H new ATOM 0 HE22 GLN A 14 -2.651 -12.073 -9.399 1.00 72.15 H new ATOM 245 N ILE A 15 -1.771 -4.639 -7.810 1.00 43.23 N ATOM 246 CA ILE A 15 -0.773 -3.621 -8.115 1.00 52.41 C ATOM 247 C ILE A 15 0.203 -3.443 -6.957 1.00 70.30 C ATOM 248 O ILE A 15 -0.137 -3.691 -5.800 1.00 12.45 O ATOM 249 CB ILE A 15 -1.431 -2.264 -8.429 1.00 72.14 C ATOM 250 CG1 ILE A 15 -2.280 -1.798 -7.245 1.00 3.53 C ATOM 251 CG2 ILE A 15 -2.280 -2.366 -9.688 1.00 44.11 C ATOM 252 CD1 ILE A 15 -3.700 -2.317 -7.277 1.00 51.43 C ATOM 0 H ILE A 15 -2.366 -4.421 -7.011 1.00 43.23 H new ATOM 0 HA ILE A 15 -0.230 -3.966 -8.995 1.00 52.41 H new ATOM 0 HB ILE A 15 -0.646 -1.528 -8.601 1.00 72.14 H new ATOM 0 HG12 ILE A 15 -1.805 -2.121 -6.319 1.00 3.53 H new ATOM 0 HG13 ILE A 15 -2.301 -0.708 -7.230 1.00 3.53 H new ATOM 0 HG21 ILE A 15 -2.738 -1.399 -9.897 1.00 44.11 H new ATOM 0 HG22 ILE A 15 -1.651 -2.658 -10.529 1.00 44.11 H new ATOM 0 HG23 ILE A 15 -3.060 -3.113 -9.541 1.00 44.11 H new ATOM 0 HD11 ILE A 15 -4.243 -1.946 -6.407 1.00 51.43 H new ATOM 0 HD12 ILE A 15 -4.193 -1.973 -8.186 1.00 51.43 H new ATOM 0 HD13 ILE A 15 -3.690 -3.407 -7.261 1.00 51.43 H new ATOM 264 N THR A 16 1.419 -3.011 -7.276 1.00 61.11 N ATOM 265 CA THR A 16 2.445 -2.799 -6.263 1.00 62.50 C ATOM 266 C THR A 16 3.044 -1.402 -6.371 1.00 4.12 C ATOM 267 O THR A 16 4.258 -1.245 -6.502 1.00 22.01 O ATOM 268 CB THR A 16 3.575 -3.840 -6.381 1.00 75.32 C ATOM 269 OG1 THR A 16 4.596 -3.566 -5.416 1.00 65.14 O ATOM 270 CG2 THR A 16 4.174 -3.832 -7.779 1.00 43.42 C ATOM 0 H THR A 16 1.717 -2.801 -8.229 1.00 61.11 H new ATOM 0 HA THR A 16 1.959 -2.909 -5.294 1.00 62.50 H new ATOM 0 HB THR A 16 3.152 -4.826 -6.191 1.00 75.32 H new ATOM 0 HG1 THR A 16 5.012 -2.701 -5.616 1.00 65.14 H new ATOM 0 HG21 THR A 16 4.970 -4.575 -7.838 1.00 43.42 H new ATOM 0 HG22 THR A 16 3.400 -4.071 -8.508 1.00 43.42 H new ATOM 0 HG23 THR A 16 4.583 -2.845 -7.994 1.00 43.42 H new ATOM 278 N SER A 17 2.186 -0.389 -6.314 1.00 54.12 N ATOM 279 CA SER A 17 2.631 0.997 -6.409 1.00 35.53 C ATOM 280 C SER A 17 1.493 1.956 -6.073 1.00 3.44 C ATOM 281 O SER A 17 0.932 2.606 -6.956 1.00 35.41 O ATOM 282 CB SER A 17 3.162 1.289 -7.813 1.00 52.12 C ATOM 283 OG SER A 17 3.295 2.683 -8.028 1.00 2.52 O ATOM 0 H SER A 17 1.178 -0.502 -6.202 1.00 54.12 H new ATOM 0 HA SER A 17 3.434 1.146 -5.687 1.00 35.53 H new ATOM 0 HB2 SER A 17 4.128 0.803 -7.948 1.00 52.12 H new ATOM 0 HB3 SER A 17 2.486 0.866 -8.556 1.00 52.12 H new ATOM 0 HG SER A 17 2.407 3.096 -8.057 1.00 2.52 H new ATOM 289 N LEU A 18 1.159 2.041 -4.790 1.00 11.12 N ATOM 290 CA LEU A 18 0.088 2.922 -4.335 1.00 24.53 C ATOM 291 C LEU A 18 0.655 4.139 -3.612 1.00 2.24 C ATOM 292 O LEU A 18 1.746 4.085 -3.042 1.00 13.30 O ATOM 293 CB LEU A 18 -0.864 2.162 -3.409 1.00 53.54 C ATOM 294 CG LEU A 18 -2.254 1.865 -3.974 1.00 41.52 C ATOM 295 CD1 LEU A 18 -3.090 3.135 -4.030 1.00 62.32 C ATOM 296 CD2 LEU A 18 -2.145 1.235 -5.355 1.00 2.10 C ATOM 0 H LEU A 18 1.614 1.511 -4.046 1.00 11.12 H new ATOM 0 HA LEU A 18 -0.463 3.267 -5.210 1.00 24.53 H new ATOM 0 HB2 LEU A 18 -0.395 1.217 -3.135 1.00 53.54 H new ATOM 0 HB3 LEU A 18 -0.982 2.737 -2.491 1.00 53.54 H new ATOM 0 HG LEU A 18 -2.751 1.156 -3.311 1.00 41.52 H new ATOM 0 HD11 LEU A 18 -4.076 2.904 -4.435 1.00 62.32 H new ATOM 0 HD12 LEU A 18 -3.197 3.545 -3.026 1.00 62.32 H new ATOM 0 HD13 LEU A 18 -2.597 3.867 -4.670 1.00 62.32 H new ATOM 0 HD21 LEU A 18 -3.143 1.031 -5.741 1.00 2.10 H new ATOM 0 HD22 LEU A 18 -1.629 1.920 -6.028 1.00 2.10 H new ATOM 0 HD23 LEU A 18 -1.585 0.303 -5.286 1.00 2.10 H new ATOM 308 N THR A 19 -0.094 5.237 -3.636 1.00 45.55 N ATOM 309 CA THR A 19 0.333 6.468 -2.983 1.00 1.31 C ATOM 310 C THR A 19 0.058 6.419 -1.484 1.00 54.25 C ATOM 311 O THR A 19 -0.498 5.444 -0.977 1.00 40.54 O ATOM 312 CB THR A 19 -0.374 7.698 -3.583 1.00 75.34 C ATOM 313 OG1 THR A 19 -0.891 7.381 -4.881 1.00 24.41 O ATOM 314 CG2 THR A 19 0.582 8.876 -3.687 1.00 22.13 C ATOM 0 H THR A 19 -1.000 5.299 -4.101 1.00 45.55 H new ATOM 0 HA THR A 19 1.406 6.558 -3.151 1.00 1.31 H new ATOM 0 HB THR A 19 -1.195 7.975 -2.922 1.00 75.34 H new ATOM 0 HG1 THR A 19 -1.473 8.107 -5.187 1.00 24.41 H new ATOM 0 HG21 THR A 19 0.059 9.732 -4.113 1.00 22.13 H new ATOM 0 HG22 THR A 19 0.951 9.134 -2.694 1.00 22.13 H new ATOM 0 HG23 THR A 19 1.422 8.608 -4.328 1.00 22.13 H new ATOM 322 N ASP A 20 0.449 7.476 -0.781 1.00 33.11 N ATOM 323 CA ASP A 20 0.242 7.554 0.661 1.00 70.15 C ATOM 324 C ASP A 20 -0.585 8.783 1.025 1.00 5.22 C ATOM 325 O ASP A 20 -0.741 9.112 2.201 1.00 30.44 O ATOM 326 CB ASP A 20 1.586 7.594 1.389 1.00 64.53 C ATOM 327 CG ASP A 20 2.668 8.272 0.571 1.00 71.20 C ATOM 328 OD1 ASP A 20 3.308 7.585 -0.252 1.00 31.51 O ATOM 329 OD2 ASP A 20 2.875 9.490 0.754 1.00 30.15 O ATOM 0 H ASP A 20 0.911 8.290 -1.186 1.00 33.11 H new ATOM 0 HA ASP A 20 -0.305 6.665 0.974 1.00 70.15 H new ATOM 0 HB2 ASP A 20 1.467 8.120 2.336 1.00 64.53 H new ATOM 0 HB3 ASP A 20 1.898 6.577 1.626 1.00 64.53 H new ATOM 334 N ASP A 21 -1.110 9.459 0.009 1.00 30.14 N ATOM 335 CA ASP A 21 -1.921 10.652 0.223 1.00 44.32 C ATOM 336 C ASP A 21 -3.407 10.309 0.209 1.00 0.24 C ATOM 337 O ASP A 21 -4.151 10.695 1.110 1.00 70.11 O ATOM 338 CB ASP A 21 -1.617 11.700 -0.850 1.00 24.34 C ATOM 339 CG ASP A 21 -0.968 12.944 -0.276 1.00 23.00 C ATOM 340 OD1 ASP A 21 0.041 12.808 0.448 1.00 33.43 O ATOM 341 OD2 ASP A 21 -1.468 14.054 -0.552 1.00 43.31 O ATOM 0 H ASP A 21 -0.989 9.201 -0.970 1.00 30.14 H new ATOM 0 HA ASP A 21 -1.670 11.061 1.202 1.00 44.32 H new ATOM 0 HB2 ASP A 21 -0.960 11.265 -1.603 1.00 24.34 H new ATOM 0 HB3 ASP A 21 -2.542 11.977 -1.356 1.00 24.34 H new ATOM 346 N ASN A 22 -3.832 9.583 -0.819 1.00 71.42 N ATOM 347 CA ASN A 22 -5.230 9.189 -0.951 1.00 32.12 C ATOM 348 C ASN A 22 -5.376 7.671 -0.893 1.00 3.31 C ATOM 349 O ASN A 22 -6.280 7.147 -0.241 1.00 64.11 O ATOM 350 CB ASN A 22 -5.809 9.718 -2.264 1.00 52.34 C ATOM 351 CG ASN A 22 -6.178 11.187 -2.183 1.00 73.13 C ATOM 352 OD1 ASN A 22 -5.742 11.899 -1.279 1.00 4.10 O ATOM 353 ND2 ASN A 22 -6.987 11.647 -3.131 1.00 21.20 N ATOM 0 H ASN A 22 -3.229 9.255 -1.573 1.00 71.42 H new ATOM 0 HA ASN A 22 -5.783 9.621 -0.117 1.00 32.12 H new ATOM 0 HB2 ASN A 22 -5.082 9.572 -3.063 1.00 52.34 H new ATOM 0 HB3 ASN A 22 -6.693 9.138 -2.528 1.00 52.34 H new ATOM 0 HD21 ASN A 22 -7.271 12.627 -3.128 1.00 21.20 H new ATOM 0 HD22 ASN A 22 -7.324 11.020 -3.862 1.00 21.20 H new ATOM 360 N THR A 23 -4.479 6.970 -1.579 1.00 61.51 N ATOM 361 CA THR A 23 -4.507 5.513 -1.607 1.00 20.32 C ATOM 362 C THR A 23 -5.815 4.999 -2.198 1.00 43.13 C ATOM 363 O THR A 23 -5.883 4.666 -3.382 1.00 23.23 O ATOM 364 CB THR A 23 -4.327 4.920 -0.196 1.00 52.52 C ATOM 365 OG1 THR A 23 -3.025 5.239 0.306 1.00 22.05 O ATOM 366 CG2 THR A 23 -4.514 3.411 -0.215 1.00 62.23 C ATOM 0 H THR A 23 -3.724 7.388 -2.123 1.00 61.51 H new ATOM 0 HA THR A 23 -3.676 5.194 -2.236 1.00 20.32 H new ATOM 0 HB THR A 23 -5.084 5.355 0.457 1.00 52.52 H new ATOM 0 HG1 THR A 23 -3.018 5.144 1.281 1.00 22.05 H new ATOM 0 HG21 THR A 23 -4.382 3.015 0.792 1.00 62.23 H new ATOM 0 HG22 THR A 23 -5.517 3.173 -0.570 1.00 62.23 H new ATOM 0 HG23 THR A 23 -3.777 2.961 -0.881 1.00 62.23 H new ATOM 374 N ILE A 24 -6.851 4.938 -1.368 1.00 45.43 N ATOM 375 CA ILE A 24 -8.157 4.467 -1.811 1.00 22.11 C ATOM 376 C ILE A 24 -8.847 5.504 -2.690 1.00 43.32 C ATOM 377 O ILE A 24 -9.361 5.182 -3.761 1.00 13.14 O ATOM 378 CB ILE A 24 -9.070 4.134 -0.616 1.00 42.40 C ATOM 379 CG1 ILE A 24 -8.362 3.175 0.343 1.00 1.43 C ATOM 380 CG2 ILE A 24 -10.381 3.534 -1.102 1.00 3.40 C ATOM 381 CD1 ILE A 24 -7.688 3.871 1.505 1.00 10.12 C ATOM 0 H ILE A 24 -6.811 5.209 -0.385 1.00 45.43 H new ATOM 0 HA ILE A 24 -7.985 3.560 -2.391 1.00 22.11 H new ATOM 0 HB ILE A 24 -9.292 5.056 -0.079 1.00 42.40 H new ATOM 0 HG12 ILE A 24 -9.087 2.459 0.730 1.00 1.43 H new ATOM 0 HG13 ILE A 24 -7.616 2.605 -0.211 1.00 1.43 H new ATOM 0 HG21 ILE A 24 -11.015 3.304 -0.246 1.00 3.40 H new ATOM 0 HG22 ILE A 24 -10.890 4.248 -1.749 1.00 3.40 H new ATOM 0 HG23 ILE A 24 -10.178 2.619 -1.659 1.00 3.40 H new ATOM 0 HD11 ILE A 24 -7.207 3.130 2.143 1.00 10.12 H new ATOM 0 HD12 ILE A 24 -6.938 4.566 1.127 1.00 10.12 H new ATOM 0 HD13 ILE A 24 -8.433 4.419 2.083 1.00 10.12 H new ATOM 393 N ALA A 25 -8.852 6.752 -2.231 1.00 64.45 N ATOM 394 CA ALA A 25 -9.475 7.838 -2.978 1.00 24.41 C ATOM 395 C ALA A 25 -8.852 7.980 -4.363 1.00 33.52 C ATOM 396 O ALA A 25 -9.549 8.246 -5.341 1.00 71.44 O ATOM 397 CB ALA A 25 -9.355 9.144 -2.207 1.00 53.12 C ATOM 0 H ALA A 25 -8.432 7.035 -1.346 1.00 64.45 H new ATOM 0 HA ALA A 25 -10.531 7.599 -3.106 1.00 24.41 H new ATOM 0 HB1 ALA A 25 -9.824 9.947 -2.776 1.00 53.12 H new ATOM 0 HB2 ALA A 25 -9.853 9.044 -1.242 1.00 53.12 H new ATOM 0 HB3 ALA A 25 -8.302 9.378 -2.050 1.00 53.12 H new ATOM 403 N GLU A 26 -7.537 7.801 -4.437 1.00 30.22 N ATOM 404 CA GLU A 26 -6.822 7.911 -5.703 1.00 22.13 C ATOM 405 C GLU A 26 -7.185 6.758 -6.635 1.00 1.52 C ATOM 406 O GLU A 26 -7.350 6.948 -7.841 1.00 11.54 O ATOM 407 CB GLU A 26 -5.311 7.929 -5.461 1.00 31.03 C ATOM 408 CG GLU A 26 -4.490 7.949 -6.739 1.00 10.20 C ATOM 409 CD GLU A 26 -3.583 9.161 -6.831 1.00 20.14 C ATOM 410 OE1 GLU A 26 -4.065 10.283 -6.569 1.00 1.11 O ATOM 411 OE2 GLU A 26 -2.392 8.988 -7.164 1.00 32.41 O ATOM 0 H GLU A 26 -6.946 7.579 -3.636 1.00 30.22 H new ATOM 0 HA GLU A 26 -7.118 8.846 -6.178 1.00 22.13 H new ATOM 0 HB2 GLU A 26 -5.058 8.804 -4.863 1.00 31.03 H new ATOM 0 HB3 GLU A 26 -5.035 7.052 -4.875 1.00 31.03 H new ATOM 0 HG2 GLU A 26 -3.886 7.043 -6.793 1.00 10.20 H new ATOM 0 HG3 GLU A 26 -5.161 7.936 -7.598 1.00 10.20 H new ATOM 418 N LEU A 27 -7.307 5.563 -6.068 1.00 50.30 N ATOM 419 CA LEU A 27 -7.650 4.379 -6.847 1.00 70.51 C ATOM 420 C LEU A 27 -9.067 4.483 -7.402 1.00 11.03 C ATOM 421 O LEU A 27 -9.298 4.264 -8.591 1.00 42.42 O ATOM 422 CB LEU A 27 -7.519 3.122 -5.985 1.00 62.41 C ATOM 423 CG LEU A 27 -6.477 2.100 -6.442 1.00 4.30 C ATOM 424 CD1 LEU A 27 -6.344 0.980 -5.422 1.00 74.11 C ATOM 425 CD2 LEU A 27 -6.843 1.540 -7.809 1.00 23.45 C ATOM 0 H LEU A 27 -7.174 5.388 -5.072 1.00 50.30 H new ATOM 0 HA LEU A 27 -6.956 4.312 -7.685 1.00 70.51 H new ATOM 0 HB2 LEU A 27 -7.277 3.427 -4.967 1.00 62.41 H new ATOM 0 HB3 LEU A 27 -8.490 2.629 -5.947 1.00 62.41 H new ATOM 0 HG LEU A 27 -5.514 2.604 -6.524 1.00 4.30 H new ATOM 0 HD11 LEU A 27 -5.598 0.263 -5.764 1.00 74.11 H new ATOM 0 HD12 LEU A 27 -6.034 1.396 -4.463 1.00 74.11 H new ATOM 0 HD13 LEU A 27 -7.304 0.478 -5.306 1.00 74.11 H new ATOM 0 HD21 LEU A 27 -6.091 0.815 -8.118 1.00 23.45 H new ATOM 0 HD22 LEU A 27 -7.816 1.052 -7.754 1.00 23.45 H new ATOM 0 HD23 LEU A 27 -6.885 2.352 -8.535 1.00 23.45 H new ATOM 437 N LYS A 28 -10.014 4.821 -6.532 1.00 64.35 N ATOM 438 CA LYS A 28 -11.408 4.958 -6.935 1.00 14.35 C ATOM 439 C LYS A 28 -11.582 6.118 -7.910 1.00 44.01 C ATOM 440 O LYS A 28 -12.343 6.024 -8.872 1.00 11.42 O ATOM 441 CB LYS A 28 -12.296 5.174 -5.706 1.00 43.24 C ATOM 442 CG LYS A 28 -12.014 6.474 -4.973 1.00 45.23 C ATOM 443 CD LYS A 28 -12.830 6.582 -3.696 1.00 45.40 C ATOM 444 CE LYS A 28 -14.319 6.674 -3.992 1.00 44.41 C ATOM 445 NZ LYS A 28 -15.017 7.587 -3.045 1.00 50.22 N ATOM 0 H LYS A 28 -9.841 5.005 -5.544 1.00 64.35 H new ATOM 0 HA LYS A 28 -11.707 4.037 -7.436 1.00 14.35 H new ATOM 0 HB2 LYS A 28 -13.341 5.161 -6.016 1.00 43.24 H new ATOM 0 HB3 LYS A 28 -12.158 4.341 -5.017 1.00 43.24 H new ATOM 0 HG2 LYS A 28 -10.952 6.535 -4.734 1.00 45.23 H new ATOM 0 HG3 LYS A 28 -12.243 7.317 -5.625 1.00 45.23 H new ATOM 0 HD2 LYS A 28 -12.636 5.715 -3.065 1.00 45.40 H new ATOM 0 HD3 LYS A 28 -12.515 7.461 -3.135 1.00 45.40 H new ATOM 0 HE2 LYS A 28 -14.465 7.028 -5.012 1.00 44.41 H new ATOM 0 HE3 LYS A 28 -14.763 5.680 -3.933 1.00 44.41 H new ATOM 0 HZ1 LYS A 28 -16.030 7.623 -3.280 1.00 50.22 H new ATOM 0 HZ2 LYS A 28 -14.899 7.236 -2.073 1.00 50.22 H new ATOM 0 HZ3 LYS A 28 -14.611 8.541 -3.120 1.00 50.22 H new ATOM 459 N GLY A 29 -10.868 7.211 -7.656 1.00 71.01 N ATOM 460 CA GLY A 29 -10.957 8.372 -8.522 1.00 5.32 C ATOM 461 C GLY A 29 -10.376 8.115 -9.898 1.00 50.02 C ATOM 462 O GLY A 29 -10.857 8.655 -10.894 1.00 50.35 O ATOM 0 H GLY A 29 -10.230 7.313 -6.867 1.00 71.01 H new ATOM 0 HA2 GLY A 29 -12.001 8.668 -8.621 1.00 5.32 H new ATOM 0 HA3 GLY A 29 -10.432 9.208 -8.059 1.00 5.32 H new ATOM 466 N LYS A 30 -9.337 7.288 -9.955 1.00 53.54 N ATOM 467 CA LYS A 30 -8.689 6.960 -11.219 1.00 41.04 C ATOM 468 C LYS A 30 -9.564 6.030 -12.054 1.00 24.10 C ATOM 469 O LYS A 30 -9.608 6.137 -13.280 1.00 53.52 O ATOM 470 CB LYS A 30 -7.329 6.306 -10.964 1.00 32.21 C ATOM 471 CG LYS A 30 -6.230 7.299 -10.628 1.00 61.24 C ATOM 472 CD LYS A 30 -5.236 7.436 -11.769 1.00 44.41 C ATOM 473 CE LYS A 30 -3.867 7.871 -11.266 1.00 54.15 C ATOM 474 NZ LYS A 30 -2.819 7.724 -12.314 1.00 32.41 N ATOM 0 H LYS A 30 -8.926 6.833 -9.140 1.00 53.54 H new ATOM 0 HA LYS A 30 -8.541 7.886 -11.774 1.00 41.04 H new ATOM 0 HB2 LYS A 30 -7.426 5.593 -10.145 1.00 32.21 H new ATOM 0 HB3 LYS A 30 -7.037 5.739 -11.848 1.00 32.21 H new ATOM 0 HG2 LYS A 30 -6.671 8.272 -10.410 1.00 61.24 H new ATOM 0 HG3 LYS A 30 -5.709 6.976 -9.727 1.00 61.24 H new ATOM 0 HD2 LYS A 30 -5.147 6.484 -12.292 1.00 44.41 H new ATOM 0 HD3 LYS A 30 -5.607 8.163 -12.491 1.00 44.41 H new ATOM 0 HE2 LYS A 30 -3.913 8.911 -10.941 1.00 54.15 H new ATOM 0 HE3 LYS A 30 -3.595 7.276 -10.394 1.00 54.15 H new ATOM 0 HZ1 LYS A 30 -1.901 8.030 -11.933 1.00 32.41 H new ATOM 0 HZ2 LYS A 30 -2.757 6.728 -12.606 1.00 32.41 H new ATOM 0 HZ3 LYS A 30 -3.066 8.311 -13.136 1.00 32.41 H new ATOM 488 N LEU A 31 -10.258 5.118 -11.383 1.00 14.34 N ATOM 489 CA LEU A 31 -11.134 4.170 -12.063 1.00 22.15 C ATOM 490 C LEU A 31 -12.352 4.877 -12.648 1.00 71.41 C ATOM 491 O LEU A 31 -12.753 4.607 -13.780 1.00 3.31 O ATOM 492 CB LEU A 31 -11.582 3.074 -11.094 1.00 13.54 C ATOM 493 CG LEU A 31 -11.984 1.742 -11.727 1.00 34.14 C ATOM 494 CD1 LEU A 31 -11.965 0.631 -10.689 1.00 32.44 C ATOM 495 CD2 LEU A 31 -13.359 1.850 -12.369 1.00 55.23 C ATOM 0 H LEU A 31 -10.231 5.015 -10.369 1.00 14.34 H new ATOM 0 HA LEU A 31 -10.573 3.717 -12.880 1.00 22.15 H new ATOM 0 HB2 LEU A 31 -10.773 2.888 -10.388 1.00 13.54 H new ATOM 0 HB3 LEU A 31 -12.428 3.450 -10.518 1.00 13.54 H new ATOM 0 HG LEU A 31 -11.260 1.498 -12.504 1.00 34.14 H new ATOM 0 HD11 LEU A 31 -12.254 -0.310 -11.158 1.00 32.44 H new ATOM 0 HD12 LEU A 31 -10.961 0.537 -10.275 1.00 32.44 H new ATOM 0 HD13 LEU A 31 -12.666 0.868 -9.889 1.00 32.44 H new ATOM 0 HD21 LEU A 31 -13.629 0.892 -12.815 1.00 55.23 H new ATOM 0 HD22 LEU A 31 -14.095 2.117 -11.610 1.00 55.23 H new ATOM 0 HD23 LEU A 31 -13.340 2.618 -13.143 1.00 55.23 H new ATOM 507 N GLU A 32 -12.935 5.783 -11.870 1.00 10.13 N ATOM 508 CA GLU A 32 -14.107 6.529 -12.313 1.00 2.43 C ATOM 509 C GLU A 32 -13.747 7.485 -13.446 1.00 45.15 C ATOM 510 O GLU A 32 -14.508 7.649 -14.399 1.00 14.34 O ATOM 511 CB GLU A 32 -14.713 7.311 -11.145 1.00 43.02 C ATOM 512 CG GLU A 32 -13.760 8.324 -10.531 1.00 75.53 C ATOM 513 CD GLU A 32 -14.360 9.038 -9.336 1.00 53.41 C ATOM 514 OE1 GLU A 32 -14.654 8.364 -8.327 1.00 1.42 O ATOM 515 OE2 GLU A 32 -14.536 10.273 -9.411 1.00 24.35 O ATOM 0 H GLU A 32 -12.615 6.018 -10.930 1.00 10.13 H new ATOM 0 HA GLU A 32 -14.842 5.814 -12.683 1.00 2.43 H new ATOM 0 HB2 GLU A 32 -15.607 7.829 -11.491 1.00 43.02 H new ATOM 0 HB3 GLU A 32 -15.030 6.609 -10.374 1.00 43.02 H new ATOM 0 HG2 GLU A 32 -12.845 7.817 -10.225 1.00 75.53 H new ATOM 0 HG3 GLU A 32 -13.481 9.059 -11.286 1.00 75.53 H new ATOM 522 N GLU A 33 -12.580 8.113 -13.335 1.00 70.02 N ATOM 523 CA GLU A 33 -12.120 9.053 -14.350 1.00 44.31 C ATOM 524 C GLU A 33 -11.798 8.331 -15.655 1.00 55.04 C ATOM 525 O GLU A 33 -12.015 8.866 -16.743 1.00 22.13 O ATOM 526 CB GLU A 33 -10.884 9.808 -13.855 1.00 11.12 C ATOM 527 CG GLU A 33 -10.668 11.143 -14.547 1.00 52.14 C ATOM 528 CD GLU A 33 -11.519 12.251 -13.957 1.00 60.12 C ATOM 529 OE1 GLU A 33 -12.721 12.317 -14.288 1.00 32.31 O ATOM 530 OE2 GLU A 33 -10.982 13.052 -13.164 1.00 4.01 O ATOM 0 H GLU A 33 -11.937 7.988 -12.553 1.00 70.02 H new ATOM 0 HA GLU A 33 -12.923 9.766 -14.538 1.00 44.31 H new ATOM 0 HB2 GLU A 33 -10.977 9.975 -12.782 1.00 11.12 H new ATOM 0 HB3 GLU A 33 -10.003 9.184 -14.005 1.00 11.12 H new ATOM 0 HG2 GLU A 33 -9.616 11.420 -14.474 1.00 52.14 H new ATOM 0 HG3 GLU A 33 -10.897 11.039 -15.608 1.00 52.14 H new ATOM 537 N SER A 34 -11.280 7.113 -15.539 1.00 33.44 N ATOM 538 CA SER A 34 -10.925 6.318 -16.708 1.00 62.24 C ATOM 539 C SER A 34 -12.163 5.982 -17.534 1.00 12.11 C ATOM 540 O SER A 34 -12.154 6.093 -18.759 1.00 45.53 O ATOM 541 CB SER A 34 -10.219 5.030 -16.281 1.00 24.23 C ATOM 542 OG SER A 34 -11.145 4.084 -15.776 1.00 21.24 O ATOM 0 H SER A 34 -11.097 6.655 -14.646 1.00 33.44 H new ATOM 0 HA SER A 34 -10.247 6.908 -17.325 1.00 62.24 H new ATOM 0 HB2 SER A 34 -9.687 4.604 -17.132 1.00 24.23 H new ATOM 0 HB3 SER A 34 -9.473 5.256 -15.519 1.00 24.23 H new ATOM 0 HG SER A 34 -11.422 4.347 -14.873 1.00 21.24 H new ATOM 548 N GLU A 35 -13.228 5.571 -16.852 1.00 24.30 N ATOM 549 CA GLU A 35 -14.474 5.218 -17.522 1.00 63.21 C ATOM 550 C GLU A 35 -15.335 6.456 -17.757 1.00 65.32 C ATOM 551 O GLU A 35 -16.376 6.386 -18.408 1.00 14.32 O ATOM 552 CB GLU A 35 -15.251 4.192 -16.694 1.00 51.24 C ATOM 553 CG GLU A 35 -14.758 2.766 -16.874 1.00 15.02 C ATOM 554 CD GLU A 35 -15.416 2.065 -18.046 1.00 74.33 C ATOM 555 OE1 GLU A 35 -15.287 2.564 -19.184 1.00 20.22 O ATOM 556 OE2 GLU A 35 -16.060 1.018 -17.827 1.00 34.22 O ATOM 0 H GLU A 35 -13.253 5.474 -15.837 1.00 24.30 H new ATOM 0 HA GLU A 35 -14.226 4.781 -18.489 1.00 63.21 H new ATOM 0 HB2 GLU A 35 -15.182 4.461 -15.640 1.00 51.24 H new ATOM 0 HB3 GLU A 35 -16.305 4.240 -16.967 1.00 51.24 H new ATOM 0 HG2 GLU A 35 -13.678 2.775 -17.021 1.00 15.02 H new ATOM 0 HG3 GLU A 35 -14.951 2.201 -15.962 1.00 15.02 H new ATOM 563 N GLY A 36 -14.890 7.589 -17.221 1.00 75.24 N ATOM 564 CA GLY A 36 -15.632 8.826 -17.383 1.00 24.03 C ATOM 565 C GLY A 36 -16.629 9.054 -16.265 1.00 11.35 C ATOM 566 O GLY A 36 -16.746 10.165 -15.745 1.00 71.24 O ATOM 0 H GLY A 36 -14.030 7.672 -16.678 1.00 75.24 H new ATOM 0 HA2 GLY A 36 -14.934 9.663 -17.420 1.00 24.03 H new ATOM 0 HA3 GLY A 36 -16.159 8.808 -18.337 1.00 24.03 H new ATOM 570 N ILE A 37 -17.351 8.002 -15.894 1.00 1.12 N ATOM 571 CA ILE A 37 -18.344 8.094 -14.831 1.00 22.25 C ATOM 572 C ILE A 37 -18.300 6.864 -13.930 1.00 5.34 C ATOM 573 O ILE A 37 -17.876 5.782 -14.335 1.00 25.20 O ATOM 574 CB ILE A 37 -19.766 8.248 -15.400 1.00 73.14 C ATOM 575 CG1 ILE A 37 -20.009 7.222 -16.510 1.00 4.33 C ATOM 576 CG2 ILE A 37 -19.977 9.661 -15.923 1.00 14.14 C ATOM 577 CD1 ILE A 37 -21.460 7.108 -16.920 1.00 70.13 C ATOM 0 H ILE A 37 -17.267 7.076 -16.314 1.00 1.12 H new ATOM 0 HA ILE A 37 -18.098 8.980 -14.246 1.00 22.25 H new ATOM 0 HB ILE A 37 -20.483 8.066 -14.599 1.00 73.14 H new ATOM 0 HG12 ILE A 37 -19.414 7.494 -17.382 1.00 4.33 H new ATOM 0 HG13 ILE A 37 -19.657 6.246 -16.175 1.00 4.33 H new ATOM 0 HG21 ILE A 37 -20.987 9.754 -16.322 1.00 14.14 H new ATOM 0 HG22 ILE A 37 -19.841 10.374 -15.110 1.00 14.14 H new ATOM 0 HG23 ILE A 37 -19.254 9.869 -16.712 1.00 14.14 H new ATOM 0 HD11 ILE A 37 -21.557 6.363 -17.710 1.00 70.13 H new ATOM 0 HD12 ILE A 37 -22.058 6.806 -16.060 1.00 70.13 H new ATOM 0 HD13 ILE A 37 -21.812 8.073 -17.286 1.00 70.13 H new ATOM 589 N PRO A 38 -18.749 7.032 -12.677 1.00 54.02 N ATOM 590 CA PRO A 38 -18.774 5.946 -11.693 1.00 2.13 C ATOM 591 C PRO A 38 -19.814 4.883 -12.028 1.00 61.34 C ATOM 592 O PRO A 38 -20.923 5.199 -12.458 1.00 23.43 O ATOM 593 CB PRO A 38 -19.139 6.658 -10.388 1.00 11.30 C ATOM 594 CG PRO A 38 -19.880 7.878 -10.817 1.00 32.44 C ATOM 595 CD PRO A 38 -19.269 8.295 -12.126 1.00 33.42 C ATOM 0 HA PRO A 38 -17.825 5.412 -11.652 1.00 2.13 H new ATOM 0 HB2 PRO A 38 -19.755 6.024 -9.750 1.00 11.30 H new ATOM 0 HB3 PRO A 38 -18.248 6.917 -9.815 1.00 11.30 H new ATOM 0 HG2 PRO A 38 -20.943 7.668 -10.932 1.00 32.44 H new ATOM 0 HG3 PRO A 38 -19.790 8.671 -10.074 1.00 32.44 H new ATOM 0 HD2 PRO A 38 -20.007 8.748 -12.788 1.00 33.42 H new ATOM 0 HD3 PRO A 38 -18.475 9.028 -11.984 1.00 33.42 H new ATOM 603 N GLY A 39 -19.448 3.620 -11.829 1.00 73.13 N ATOM 604 CA GLY A 39 -20.362 2.529 -12.116 1.00 4.21 C ATOM 605 C GLY A 39 -21.714 2.717 -11.457 1.00 23.21 C ATOM 606 O GLY A 39 -22.751 2.523 -12.088 1.00 55.35 O ATOM 0 H GLY A 39 -18.536 3.333 -11.474 1.00 73.13 H new ATOM 0 HA2 GLY A 39 -20.495 2.445 -13.195 1.00 4.21 H new ATOM 0 HA3 GLY A 39 -19.922 1.592 -11.775 1.00 4.21 H new ATOM 610 N ASN A 40 -21.702 3.094 -10.182 1.00 61.54 N ATOM 611 CA ASN A 40 -22.937 3.305 -9.436 1.00 52.15 C ATOM 612 C ASN A 40 -22.641 3.642 -7.978 1.00 52.12 C ATOM 613 O ASN A 40 -22.864 4.768 -7.533 1.00 70.43 O ATOM 614 CB ASN A 40 -23.824 2.061 -9.514 1.00 62.41 C ATOM 615 CG ASN A 40 -25.197 2.364 -10.082 1.00 61.51 C ATOM 616 OD1 ASN A 40 -26.184 2.498 -9.204 1.00 62.52 O flip ATOM 617 ND2 ASN A 40 -25.368 2.476 -11.296 1.00 21.12 N flip ATOM 0 H ASN A 40 -20.851 3.259 -9.645 1.00 61.54 H new ATOM 0 HA ASN A 40 -23.464 4.147 -9.885 1.00 52.15 H new ATOM 0 HB2 ASN A 40 -23.336 1.308 -10.133 1.00 62.41 H new ATOM 0 HB3 ASN A 40 -23.933 1.633 -8.518 1.00 62.41 H new ATOM 0 HD21 ASN A 40 -24.580 2.365 -11.934 1.00 21.12 H new ATOM 0 HD22 ASN A 40 -26.297 2.680 -11.663 1.00 21.12 H new ATOM 624 N MET A 41 -22.137 2.659 -7.240 1.00 32.41 N ATOM 625 CA MET A 41 -21.809 2.852 -5.832 1.00 62.42 C ATOM 626 C MET A 41 -20.301 2.972 -5.637 1.00 63.23 C ATOM 627 O MET A 41 -19.830 3.815 -4.874 1.00 3.23 O ATOM 628 CB MET A 41 -22.352 1.691 -4.996 1.00 41.20 C ATOM 629 CG MET A 41 -23.756 1.930 -4.464 1.00 4.40 C ATOM 630 SD MET A 41 -24.337 0.587 -3.411 1.00 14.41 S ATOM 631 CE MET A 41 -26.082 0.977 -3.298 1.00 1.43 C ATOM 0 H MET A 41 -21.947 1.721 -7.593 1.00 32.41 H new ATOM 0 HA MET A 41 -22.276 3.779 -5.500 1.00 62.42 H new ATOM 0 HB2 MET A 41 -22.351 0.786 -5.603 1.00 41.20 H new ATOM 0 HB3 MET A 41 -21.680 1.513 -4.157 1.00 41.20 H new ATOM 0 HG2 MET A 41 -23.773 2.862 -3.900 1.00 4.40 H new ATOM 0 HG3 MET A 41 -24.442 2.052 -5.302 1.00 4.40 H new ATOM 0 HE1 MET A 41 -26.581 0.234 -2.676 1.00 1.43 H new ATOM 0 HE2 MET A 41 -26.206 1.964 -2.853 1.00 1.43 H new ATOM 0 HE3 MET A 41 -26.522 0.970 -4.295 1.00 1.43 H new ATOM 641 N ILE A 42 -19.549 2.124 -6.332 1.00 35.24 N ATOM 642 CA ILE A 42 -18.095 2.137 -6.235 1.00 31.34 C ATOM 643 C ILE A 42 -17.641 2.126 -4.779 1.00 31.41 C ATOM 644 O ILE A 42 -16.881 2.993 -4.348 1.00 53.34 O ATOM 645 CB ILE A 42 -17.495 3.368 -6.938 1.00 42.05 C ATOM 646 CG1 ILE A 42 -18.149 3.570 -8.307 1.00 32.03 C ATOM 647 CG2 ILE A 42 -15.988 3.213 -7.083 1.00 53.15 C ATOM 648 CD1 ILE A 42 -18.006 2.378 -9.227 1.00 33.22 C ATOM 0 H ILE A 42 -19.923 1.420 -6.968 1.00 35.24 H new ATOM 0 HA ILE A 42 -17.738 1.235 -6.732 1.00 31.34 H new ATOM 0 HB ILE A 42 -17.693 4.249 -6.328 1.00 42.05 H new ATOM 0 HG12 ILE A 42 -19.208 3.785 -8.166 1.00 32.03 H new ATOM 0 HG13 ILE A 42 -17.707 4.444 -8.786 1.00 32.03 H new ATOM 0 HG21 ILE A 42 -15.578 4.091 -7.582 1.00 53.15 H new ATOM 0 HG22 ILE A 42 -15.536 3.112 -6.096 1.00 53.15 H new ATOM 0 HG23 ILE A 42 -15.769 2.324 -7.675 1.00 53.15 H new ATOM 0 HD11 ILE A 42 -18.493 2.592 -10.178 1.00 33.22 H new ATOM 0 HD12 ILE A 42 -16.949 2.175 -9.398 1.00 33.22 H new ATOM 0 HD13 ILE A 42 -18.473 1.506 -8.769 1.00 33.22 H new ATOM 660 N ARG A 43 -18.110 1.136 -4.026 1.00 15.10 N ATOM 661 CA ARG A 43 -17.752 1.011 -2.618 1.00 53.23 C ATOM 662 C ARG A 43 -17.130 -0.353 -2.335 1.00 5.43 C ATOM 663 O ARG A 43 -17.723 -1.391 -2.628 1.00 61.35 O ATOM 664 CB ARG A 43 -18.986 1.214 -1.736 1.00 63.13 C ATOM 665 CG ARG A 43 -18.800 2.275 -0.664 1.00 22.22 C ATOM 666 CD ARG A 43 -20.059 2.449 0.171 1.00 3.32 C ATOM 667 NE ARG A 43 -20.993 3.392 -0.438 1.00 11.12 N ATOM 668 CZ ARG A 43 -22.204 3.643 0.047 1.00 52.13 C ATOM 669 NH1 ARG A 43 -22.625 3.025 1.141 1.00 32.33 N ATOM 670 NH2 ARG A 43 -22.997 4.515 -0.564 1.00 21.41 N ATOM 0 H ARG A 43 -18.739 0.409 -4.367 1.00 15.10 H new ATOM 0 HA ARG A 43 -17.017 1.782 -2.386 1.00 53.23 H new ATOM 0 HB2 ARG A 43 -19.831 1.491 -2.366 1.00 63.13 H new ATOM 0 HB3 ARG A 43 -19.241 0.268 -1.259 1.00 63.13 H new ATOM 0 HG2 ARG A 43 -17.968 1.998 -0.017 1.00 22.22 H new ATOM 0 HG3 ARG A 43 -18.538 3.224 -1.131 1.00 22.22 H new ATOM 0 HD2 ARG A 43 -20.548 1.483 0.295 1.00 3.32 H new ATOM 0 HD3 ARG A 43 -19.788 2.799 1.167 1.00 3.32 H new ATOM 0 HE ARG A 43 -20.700 3.885 -1.282 1.00 11.12 H new ATOM 0 HH11 ARG A 43 -22.019 2.354 1.613 1.00 32.33 H new ATOM 0 HH12 ARG A 43 -23.555 3.220 1.511 1.00 32.33 H new ATOM 0 HH21 ARG A 43 -22.677 4.993 -1.406 1.00 21.41 H new ATOM 0 HH22 ARG A 43 -23.927 4.707 -0.191 1.00 21.41 H new ATOM 684 N LEU A 44 -15.931 -0.342 -1.763 1.00 24.22 N ATOM 685 CA LEU A 44 -15.226 -1.578 -1.440 1.00 33.25 C ATOM 686 C LEU A 44 -15.261 -1.848 0.061 1.00 2.04 C ATOM 687 O LEU A 44 -15.421 -0.929 0.865 1.00 50.14 O ATOM 688 CB LEU A 44 -13.777 -1.504 -1.923 1.00 2.33 C ATOM 689 CG LEU A 44 -12.946 -0.343 -1.375 1.00 44.13 C ATOM 690 CD1 LEU A 44 -11.484 -0.745 -1.250 1.00 34.34 C ATOM 691 CD2 LEU A 44 -13.089 0.882 -2.266 1.00 45.35 C ATOM 0 H LEU A 44 -15.427 0.509 -1.513 1.00 24.22 H new ATOM 0 HA LEU A 44 -15.730 -2.399 -1.950 1.00 33.25 H new ATOM 0 HB2 LEU A 44 -13.279 -2.437 -1.660 1.00 2.33 H new ATOM 0 HB3 LEU A 44 -13.780 -1.440 -3.011 1.00 2.33 H new ATOM 0 HG LEU A 44 -13.319 -0.092 -0.382 1.00 44.13 H new ATOM 0 HD11 LEU A 44 -10.908 0.094 -0.859 1.00 34.34 H new ATOM 0 HD12 LEU A 44 -11.397 -1.593 -0.571 1.00 34.34 H new ATOM 0 HD13 LEU A 44 -11.098 -1.024 -2.231 1.00 34.34 H new ATOM 0 HD21 LEU A 44 -12.491 1.698 -1.861 1.00 45.35 H new ATOM 0 HD22 LEU A 44 -12.743 0.643 -3.272 1.00 45.35 H new ATOM 0 HD23 LEU A 44 -14.136 1.184 -2.305 1.00 45.35 H new ATOM 703 N VAL A 45 -15.107 -3.115 0.433 1.00 12.14 N ATOM 704 CA VAL A 45 -15.117 -3.506 1.838 1.00 53.20 C ATOM 705 C VAL A 45 -13.752 -4.026 2.274 1.00 41.44 C ATOM 706 O VAL A 45 -13.264 -5.029 1.754 1.00 24.52 O ATOM 707 CB VAL A 45 -16.178 -4.589 2.112 1.00 42.25 C ATOM 708 CG1 VAL A 45 -16.297 -4.854 3.604 1.00 34.25 C ATOM 709 CG2 VAL A 45 -17.520 -4.179 1.525 1.00 35.13 C ATOM 0 H VAL A 45 -14.974 -3.888 -0.219 1.00 12.14 H new ATOM 0 HA VAL A 45 -15.363 -2.613 2.413 1.00 53.20 H new ATOM 0 HB VAL A 45 -15.863 -5.513 1.628 1.00 42.25 H new ATOM 0 HG11 VAL A 45 -17.051 -5.622 3.778 1.00 34.25 H new ATOM 0 HG12 VAL A 45 -15.336 -5.194 3.991 1.00 34.25 H new ATOM 0 HG13 VAL A 45 -16.589 -3.936 4.114 1.00 34.25 H new ATOM 0 HG21 VAL A 45 -18.258 -4.955 1.727 1.00 35.13 H new ATOM 0 HG22 VAL A 45 -17.845 -3.242 1.978 1.00 35.13 H new ATOM 0 HG23 VAL A 45 -17.420 -4.045 0.448 1.00 35.13 H new ATOM 719 N TYR A 46 -13.141 -3.336 3.230 1.00 24.34 N ATOM 720 CA TYR A 46 -11.830 -3.727 3.735 1.00 23.04 C ATOM 721 C TYR A 46 -11.954 -4.444 5.076 1.00 1.35 C ATOM 722 O TYR A 46 -12.383 -3.856 6.069 1.00 52.44 O ATOM 723 CB TYR A 46 -10.930 -2.499 3.882 1.00 3.12 C ATOM 724 CG TYR A 46 -9.511 -2.729 3.413 1.00 3.43 C ATOM 725 CD1 TYR A 46 -8.831 -3.896 3.739 1.00 72.21 C ATOM 726 CD2 TYR A 46 -8.849 -1.778 2.646 1.00 71.12 C ATOM 727 CE1 TYR A 46 -7.534 -4.110 3.313 1.00 34.24 C ATOM 728 CE2 TYR A 46 -7.553 -1.984 2.215 1.00 60.33 C ATOM 729 CZ TYR A 46 -6.900 -3.152 2.551 1.00 2.42 C ATOM 730 OH TYR A 46 -5.608 -3.360 2.125 1.00 72.11 O ATOM 0 H TYR A 46 -13.532 -2.503 3.671 1.00 24.34 H new ATOM 0 HA TYR A 46 -11.382 -4.414 3.017 1.00 23.04 H new ATOM 0 HB2 TYR A 46 -11.361 -1.673 3.317 1.00 3.12 H new ATOM 0 HB3 TYR A 46 -10.913 -2.194 4.928 1.00 3.12 H new ATOM 0 HD1 TYR A 46 -9.325 -4.649 4.336 1.00 72.21 H new ATOM 0 HD2 TYR A 46 -9.357 -0.862 2.382 1.00 71.12 H new ATOM 0 HE1 TYR A 46 -7.020 -5.023 3.576 1.00 34.24 H new ATOM 0 HE2 TYR A 46 -7.054 -1.235 1.618 1.00 60.33 H new ATOM 0 HH TYR A 46 -5.309 -2.590 1.598 1.00 72.11 H new ATOM 740 N GLN A 47 -11.574 -5.717 5.097 1.00 71.22 N ATOM 741 CA GLN A 47 -11.643 -6.515 6.315 1.00 2.03 C ATOM 742 C GLN A 47 -13.056 -6.513 6.888 1.00 11.15 C ATOM 743 O GLN A 47 -13.244 -6.532 8.104 1.00 22.12 O ATOM 744 CB GLN A 47 -10.657 -5.981 7.356 1.00 41.11 C ATOM 745 CG GLN A 47 -9.864 -7.071 8.059 1.00 72.02 C ATOM 746 CD GLN A 47 -9.712 -6.816 9.545 1.00 4.52 C ATOM 747 OE1 GLN A 47 -10.644 -6.359 10.207 1.00 31.13 O ATOM 748 NE2 GLN A 47 -8.532 -7.109 10.079 1.00 63.53 N ATOM 0 H GLN A 47 -11.215 -6.218 4.284 1.00 71.22 H new ATOM 0 HA GLN A 47 -11.375 -7.541 6.063 1.00 2.03 H new ATOM 0 HB2 GLN A 47 -9.963 -5.295 6.869 1.00 41.11 H new ATOM 0 HB3 GLN A 47 -11.205 -5.404 8.101 1.00 41.11 H new ATOM 0 HG2 GLN A 47 -10.359 -8.030 7.908 1.00 72.02 H new ATOM 0 HG3 GLN A 47 -8.876 -7.147 7.604 1.00 72.02 H new ATOM 0 HE21 GLN A 47 -7.787 -7.486 9.494 1.00 63.53 H new ATOM 0 HE22 GLN A 47 -8.371 -6.957 11.075 1.00 63.53 H new ATOM 757 N GLY A 48 -14.048 -6.489 6.004 1.00 74.03 N ATOM 758 CA GLY A 48 -15.432 -6.484 6.441 1.00 72.31 C ATOM 759 C GLY A 48 -15.911 -5.101 6.834 1.00 53.11 C ATOM 760 O GLY A 48 -17.049 -4.931 7.273 1.00 2.31 O ATOM 0 H GLY A 48 -13.918 -6.473 4.992 1.00 74.03 H new ATOM 0 HA2 GLY A 48 -16.064 -6.870 5.641 1.00 72.31 H new ATOM 0 HA3 GLY A 48 -15.544 -7.159 7.290 1.00 72.31 H new ATOM 764 N LYS A 49 -15.041 -4.109 6.678 1.00 53.20 N ATOM 765 CA LYS A 49 -15.380 -2.732 7.020 1.00 73.52 C ATOM 766 C LYS A 49 -15.685 -1.920 5.766 1.00 53.34 C ATOM 767 O LYS A 49 -15.205 -2.238 4.678 1.00 52.41 O ATOM 768 CB LYS A 49 -14.234 -2.081 7.796 1.00 2.14 C ATOM 769 CG LYS A 49 -14.603 -1.699 9.219 1.00 22.35 C ATOM 770 CD LYS A 49 -14.875 -2.926 10.073 1.00 21.42 C ATOM 771 CE LYS A 49 -13.600 -3.711 10.343 1.00 34.51 C ATOM 772 NZ LYS A 49 -13.749 -4.626 11.509 1.00 4.11 N ATOM 0 H LYS A 49 -14.095 -4.233 6.317 1.00 53.20 H new ATOM 0 HA LYS A 49 -16.272 -2.748 7.647 1.00 73.52 H new ATOM 0 HB2 LYS A 49 -13.387 -2.767 7.821 1.00 2.14 H new ATOM 0 HB3 LYS A 49 -13.906 -1.189 7.263 1.00 2.14 H new ATOM 0 HG2 LYS A 49 -13.794 -1.118 9.662 1.00 22.35 H new ATOM 0 HG3 LYS A 49 -15.486 -1.059 9.208 1.00 22.35 H new ATOM 0 HD2 LYS A 49 -15.323 -2.620 11.019 1.00 21.42 H new ATOM 0 HD3 LYS A 49 -15.599 -3.567 9.570 1.00 21.42 H new ATOM 0 HE2 LYS A 49 -13.336 -4.290 9.458 1.00 34.51 H new ATOM 0 HE3 LYS A 49 -12.779 -3.018 10.527 1.00 34.51 H new ATOM 0 HZ1 LYS A 49 -12.859 -5.143 11.661 1.00 4.11 H new ATOM 0 HZ2 LYS A 49 -13.976 -4.071 12.359 1.00 4.11 H new ATOM 0 HZ3 LYS A 49 -14.516 -5.304 11.323 1.00 4.11 H new ATOM 786 N GLN A 50 -16.484 -0.870 5.926 1.00 14.10 N ATOM 787 CA GLN A 50 -16.852 -0.012 4.806 1.00 43.22 C ATOM 788 C GLN A 50 -16.203 1.362 4.937 1.00 11.30 C ATOM 789 O GLN A 50 -15.805 1.771 6.029 1.00 60.23 O ATOM 790 CB GLN A 50 -18.372 0.134 4.725 1.00 13.52 C ATOM 791 CG GLN A 50 -19.119 -1.179 4.889 1.00 34.23 C ATOM 792 CD GLN A 50 -20.437 -1.199 4.140 1.00 12.42 C ATOM 793 OE1 GLN A 50 -20.725 -2.133 3.391 1.00 11.43 O ATOM 794 NE2 GLN A 50 -21.247 -0.165 4.339 1.00 44.23 N ATOM 0 H GLN A 50 -16.889 -0.593 6.820 1.00 14.10 H new ATOM 0 HA GLN A 50 -16.490 -0.479 3.890 1.00 43.22 H new ATOM 0 HB2 GLN A 50 -18.703 0.830 5.496 1.00 13.52 H new ATOM 0 HB3 GLN A 50 -18.636 0.575 3.764 1.00 13.52 H new ATOM 0 HG2 GLN A 50 -18.491 -1.996 4.534 1.00 34.23 H new ATOM 0 HG3 GLN A 50 -19.305 -1.357 5.948 1.00 34.23 H new ATOM 0 HE21 GLN A 50 -20.968 0.587 4.969 1.00 44.23 H new ATOM 0 HE22 GLN A 50 -22.148 -0.124 3.862 1.00 44.23 H new ATOM 803 N LEU A 51 -16.099 2.071 3.818 1.00 13.14 N ATOM 804 CA LEU A 51 -15.498 3.400 3.808 1.00 53.31 C ATOM 805 C LEU A 51 -14.029 3.337 4.213 1.00 32.15 C ATOM 806 O LEU A 51 -13.707 3.167 5.389 1.00 53.41 O ATOM 807 CB LEU A 51 -16.260 4.333 4.751 1.00 3.40 C ATOM 808 CG LEU A 51 -17.782 4.186 4.756 1.00 3.33 C ATOM 809 CD1 LEU A 51 -18.397 5.041 5.854 1.00 62.13 C ATOM 810 CD2 LEU A 51 -18.359 4.562 3.399 1.00 24.41 C ATOM 0 H LEU A 51 -16.423 1.748 2.906 1.00 13.14 H new ATOM 0 HA LEU A 51 -15.559 3.791 2.793 1.00 53.31 H new ATOM 0 HB2 LEU A 51 -15.896 4.168 5.765 1.00 3.40 H new ATOM 0 HB3 LEU A 51 -16.015 5.362 4.488 1.00 3.40 H new ATOM 0 HG LEU A 51 -18.026 3.143 4.956 1.00 3.33 H new ATOM 0 HD11 LEU A 51 -19.481 4.924 5.842 1.00 62.13 H new ATOM 0 HD12 LEU A 51 -18.008 4.725 6.822 1.00 62.13 H new ATOM 0 HD13 LEU A 51 -18.143 6.088 5.685 1.00 62.13 H new ATOM 0 HD21 LEU A 51 -19.443 4.451 3.421 1.00 24.41 H new ATOM 0 HD22 LEU A 51 -18.105 5.597 3.169 1.00 24.41 H new ATOM 0 HD23 LEU A 51 -17.943 3.908 2.633 1.00 24.41 H new ATOM 822 N GLU A 52 -13.143 3.476 3.232 1.00 11.33 N ATOM 823 CA GLU A 52 -11.708 3.436 3.489 1.00 52.15 C ATOM 824 C GLU A 52 -11.034 4.718 3.008 1.00 65.32 C ATOM 825 O GLU A 52 -9.826 4.896 3.172 1.00 34.40 O ATOM 826 CB GLU A 52 -11.078 2.225 2.798 1.00 70.04 C ATOM 827 CG GLU A 52 -11.756 0.909 3.139 1.00 71.33 C ATOM 828 CD GLU A 52 -11.499 0.473 4.568 1.00 3.12 C ATOM 829 OE1 GLU A 52 -10.365 0.668 5.054 1.00 41.35 O ATOM 830 OE2 GLU A 52 -12.432 -0.063 5.201 1.00 32.15 O ATOM 0 H GLU A 52 -13.393 3.617 2.253 1.00 11.33 H new ATOM 0 HA GLU A 52 -11.559 3.349 4.565 1.00 52.15 H new ATOM 0 HB2 GLU A 52 -11.114 2.374 1.719 1.00 70.04 H new ATOM 0 HB3 GLU A 52 -10.026 2.165 3.077 1.00 70.04 H new ATOM 0 HG2 GLU A 52 -12.830 1.006 2.980 1.00 71.33 H new ATOM 0 HG3 GLU A 52 -11.402 0.135 2.458 1.00 71.33 H new ATOM 837 N ASP A 53 -11.821 5.607 2.413 1.00 34.42 N ATOM 838 CA ASP A 53 -11.302 6.872 1.909 1.00 43.35 C ATOM 839 C ASP A 53 -10.562 7.632 3.005 1.00 21.12 C ATOM 840 O ASP A 53 -9.511 8.224 2.762 1.00 20.10 O ATOM 841 CB ASP A 53 -12.440 7.731 1.355 1.00 41.01 C ATOM 842 CG ASP A 53 -12.103 8.340 0.008 1.00 12.10 C ATOM 843 OD1 ASP A 53 -11.553 7.617 -0.848 1.00 44.44 O ATOM 844 OD2 ASP A 53 -12.390 9.540 -0.189 1.00 65.23 O ATOM 0 H ASP A 53 -12.822 5.474 2.268 1.00 34.42 H new ATOM 0 HA ASP A 53 -10.599 6.653 1.106 1.00 43.35 H new ATOM 0 HB2 ASP A 53 -13.339 7.121 1.260 1.00 41.01 H new ATOM 0 HB3 ASP A 53 -12.668 8.527 2.064 1.00 41.01 H new ATOM 849 N GLU A 54 -11.119 7.611 4.212 1.00 31.20 N ATOM 850 CA GLU A 54 -10.512 8.300 5.345 1.00 33.50 C ATOM 851 C GLU A 54 -9.195 7.639 5.741 1.00 31.35 C ATOM 852 O GLU A 54 -8.346 8.257 6.384 1.00 65.44 O ATOM 853 CB GLU A 54 -11.471 8.308 6.538 1.00 45.11 C ATOM 854 CG GLU A 54 -11.741 9.697 7.091 1.00 12.12 C ATOM 855 CD GLU A 54 -12.692 10.496 6.221 1.00 2.53 C ATOM 856 OE1 GLU A 54 -13.552 9.879 5.559 1.00 45.55 O ATOM 857 OE2 GLU A 54 -12.576 11.740 6.204 1.00 64.10 O ATOM 0 H GLU A 54 -11.989 7.125 4.430 1.00 31.20 H new ATOM 0 HA GLU A 54 -10.307 9.328 5.046 1.00 33.50 H new ATOM 0 HB2 GLU A 54 -12.416 7.856 6.237 1.00 45.11 H new ATOM 0 HB3 GLU A 54 -11.057 7.684 7.331 1.00 45.11 H new ATOM 0 HG2 GLU A 54 -12.158 9.610 8.094 1.00 12.12 H new ATOM 0 HG3 GLU A 54 -10.799 10.237 7.184 1.00 12.12 H new ATOM 864 N LYS A 55 -9.033 6.378 5.355 1.00 64.03 N ATOM 865 CA LYS A 55 -7.820 5.631 5.668 1.00 50.32 C ATOM 866 C LYS A 55 -6.845 5.661 4.495 1.00 3.34 C ATOM 867 O LYS A 55 -6.184 4.665 4.199 1.00 15.25 O ATOM 868 CB LYS A 55 -8.165 4.183 6.021 1.00 72.21 C ATOM 869 CG LYS A 55 -8.618 3.999 7.459 1.00 23.40 C ATOM 870 CD LYS A 55 -10.064 4.425 7.648 1.00 42.34 C ATOM 871 CE LYS A 55 -10.819 3.455 8.543 1.00 71.33 C ATOM 872 NZ LYS A 55 -12.263 3.380 8.186 1.00 41.11 N ATOM 0 H LYS A 55 -9.727 5.851 4.824 1.00 64.03 H new ATOM 0 HA LYS A 55 -7.343 6.104 6.527 1.00 50.32 H new ATOM 0 HB2 LYS A 55 -8.952 3.833 5.353 1.00 72.21 H new ATOM 0 HB3 LYS A 55 -7.292 3.556 5.841 1.00 72.21 H new ATOM 0 HG2 LYS A 55 -8.506 2.953 7.746 1.00 23.40 H new ATOM 0 HG3 LYS A 55 -7.977 4.582 8.121 1.00 23.40 H new ATOM 0 HD2 LYS A 55 -10.096 5.424 8.084 1.00 42.34 H new ATOM 0 HD3 LYS A 55 -10.557 4.485 6.677 1.00 42.34 H new ATOM 0 HE2 LYS A 55 -10.373 2.464 8.462 1.00 71.33 H new ATOM 0 HE3 LYS A 55 -10.718 3.766 9.583 1.00 71.33 H new ATOM 0 HZ1 LYS A 55 -12.688 2.542 8.632 1.00 41.11 H new ATOM 0 HZ2 LYS A 55 -12.749 4.236 8.523 1.00 41.11 H new ATOM 0 HZ3 LYS A 55 -12.362 3.310 7.153 1.00 41.11 H new ATOM 886 N ARG A 56 -6.758 6.810 3.833 1.00 52.13 N ATOM 887 CA ARG A 56 -5.863 6.969 2.693 1.00 0.10 C ATOM 888 C ARG A 56 -4.463 6.461 3.026 1.00 33.11 C ATOM 889 O ARG A 56 -4.088 5.350 2.648 1.00 11.21 O ATOM 890 CB ARG A 56 -5.797 8.438 2.270 1.00 23.15 C ATOM 891 CG ARG A 56 -5.961 9.412 3.426 1.00 74.04 C ATOM 892 CD ARG A 56 -7.358 10.014 3.452 1.00 23.10 C ATOM 893 NE ARG A 56 -7.338 11.425 3.828 1.00 54.04 N ATOM 894 CZ ARG A 56 -7.121 11.853 5.066 1.00 34.03 C ATOM 895 NH1 ARG A 56 -6.906 10.983 6.043 1.00 11.25 N ATOM 896 NH2 ARG A 56 -7.119 13.154 5.329 1.00 32.54 N ATOM 0 H ARG A 56 -7.296 7.644 4.066 1.00 52.13 H new ATOM 0 HA ARG A 56 -6.259 6.378 1.867 1.00 0.10 H new ATOM 0 HB2 ARG A 56 -4.840 8.624 1.782 1.00 23.15 H new ATOM 0 HB3 ARG A 56 -6.575 8.630 1.531 1.00 23.15 H new ATOM 0 HG2 ARG A 56 -5.768 8.897 4.367 1.00 74.04 H new ATOM 0 HG3 ARG A 56 -5.222 10.208 3.340 1.00 74.04 H new ATOM 0 HD2 ARG A 56 -7.817 9.907 2.469 1.00 23.10 H new ATOM 0 HD3 ARG A 56 -7.979 9.460 4.156 1.00 23.10 H new ATOM 0 HE ARG A 56 -7.500 12.120 3.099 1.00 54.04 H new ATOM 0 HH11 ARG A 56 -6.907 9.983 5.844 1.00 11.25 H new ATOM 0 HH12 ARG A 56 -6.740 11.314 6.993 1.00 11.25 H new ATOM 0 HH21 ARG A 56 -7.284 13.826 4.580 1.00 32.54 H new ATOM 0 HH22 ARG A 56 -6.952 13.482 6.280 1.00 32.54 H new ATOM 910 N LEU A 57 -3.695 7.281 3.735 1.00 32.30 N ATOM 911 CA LEU A 57 -2.336 6.915 4.119 1.00 11.00 C ATOM 912 C LEU A 57 -2.339 5.700 5.041 1.00 71.21 C ATOM 913 O LEU A 57 -1.440 4.860 4.983 1.00 54.34 O ATOM 914 CB LEU A 57 -1.646 8.092 4.810 1.00 12.34 C ATOM 915 CG LEU A 57 -0.117 8.070 4.807 1.00 13.41 C ATOM 916 CD1 LEU A 57 0.437 9.452 5.117 1.00 0.22 C ATOM 917 CD2 LEU A 57 0.404 7.048 5.807 1.00 54.12 C ATOM 0 H LEU A 57 -3.990 8.203 4.056 1.00 32.30 H new ATOM 0 HA LEU A 57 -1.785 6.659 3.214 1.00 11.00 H new ATOM 0 HB2 LEU A 57 -1.977 9.013 4.331 1.00 12.34 H new ATOM 0 HB3 LEU A 57 -1.987 8.130 5.845 1.00 12.34 H new ATOM 0 HG LEU A 57 0.221 7.780 3.812 1.00 13.41 H new ATOM 0 HD11 LEU A 57 1.526 9.417 5.111 1.00 0.22 H new ATOM 0 HD12 LEU A 57 0.092 10.160 4.363 1.00 0.22 H new ATOM 0 HD13 LEU A 57 0.090 9.771 6.100 1.00 0.22 H new ATOM 0 HD21 LEU A 57 1.494 7.046 5.791 1.00 54.12 H new ATOM 0 HD22 LEU A 57 0.056 7.307 6.807 1.00 54.12 H new ATOM 0 HD23 LEU A 57 0.036 6.057 5.540 1.00 54.12 H new ATOM 929 N LYS A 58 -3.357 5.611 5.891 1.00 63.24 N ATOM 930 CA LYS A 58 -3.480 4.497 6.823 1.00 32.22 C ATOM 931 C LYS A 58 -3.520 3.166 6.079 1.00 61.00 C ATOM 932 O LYS A 58 -3.153 2.126 6.627 1.00 51.30 O ATOM 933 CB LYS A 58 -4.742 4.655 7.675 1.00 40.04 C ATOM 934 CG LYS A 58 -4.459 4.814 9.158 1.00 23.23 C ATOM 935 CD LYS A 58 -5.020 3.652 9.961 1.00 54.13 C ATOM 936 CE LYS A 58 -4.087 3.255 11.094 1.00 32.31 C ATOM 937 NZ LYS A 58 -3.200 2.122 10.711 1.00 60.23 N ATOM 0 H LYS A 58 -4.109 6.298 5.953 1.00 63.24 H new ATOM 0 HA LYS A 58 -2.606 4.503 7.474 1.00 32.22 H new ATOM 0 HB2 LYS A 58 -5.300 5.524 7.325 1.00 40.04 H new ATOM 0 HB3 LYS A 58 -5.381 3.785 7.527 1.00 40.04 H new ATOM 0 HG2 LYS A 58 -3.383 4.882 9.319 1.00 23.23 H new ATOM 0 HG3 LYS A 58 -4.895 5.747 9.514 1.00 23.23 H new ATOM 0 HD2 LYS A 58 -5.993 3.926 10.369 1.00 54.13 H new ATOM 0 HD3 LYS A 58 -5.180 2.797 9.303 1.00 54.13 H new ATOM 0 HE2 LYS A 58 -3.478 4.112 11.380 1.00 32.31 H new ATOM 0 HE3 LYS A 58 -4.675 2.976 11.968 1.00 32.31 H new ATOM 0 HZ1 LYS A 58 -2.579 1.881 11.510 1.00 60.23 H new ATOM 0 HZ2 LYS A 58 -3.780 1.296 10.462 1.00 60.23 H new ATOM 0 HZ3 LYS A 58 -2.620 2.397 9.893 1.00 60.23 H new ATOM 951 N ASP A 59 -3.966 3.206 4.828 1.00 4.02 N ATOM 952 CA ASP A 59 -4.051 2.003 4.008 1.00 45.31 C ATOM 953 C ASP A 59 -2.698 1.675 3.383 1.00 31.02 C ATOM 954 O ASP A 59 -2.474 0.559 2.913 1.00 14.12 O ATOM 955 CB ASP A 59 -5.103 2.181 2.912 1.00 23.22 C ATOM 956 CG ASP A 59 -6.458 1.637 3.318 1.00 74.43 C ATOM 957 OD1 ASP A 59 -6.795 1.717 4.517 1.00 0.54 O ATOM 958 OD2 ASP A 59 -7.182 1.129 2.436 1.00 55.04 O ATOM 0 H ASP A 59 -4.274 4.058 4.360 1.00 4.02 H new ATOM 0 HA ASP A 59 -4.345 1.174 4.652 1.00 45.31 H new ATOM 0 HB2 ASP A 59 -5.197 3.240 2.671 1.00 23.22 H new ATOM 0 HB3 ASP A 59 -4.769 1.676 2.006 1.00 23.22 H new ATOM 963 N TYR A 60 -1.800 2.654 3.381 1.00 72.13 N ATOM 964 CA TYR A 60 -0.471 2.470 2.811 1.00 41.34 C ATOM 965 C TYR A 60 0.409 1.636 3.737 1.00 52.11 C ATOM 966 O TYR A 60 1.387 1.030 3.301 1.00 31.20 O ATOM 967 CB TYR A 60 0.187 3.826 2.549 1.00 14.42 C ATOM 968 CG TYR A 60 1.586 3.722 1.987 1.00 42.44 C ATOM 969 CD1 TYR A 60 1.800 3.611 0.618 1.00 12.53 C ATOM 970 CD2 TYR A 60 2.695 3.736 2.824 1.00 62.03 C ATOM 971 CE1 TYR A 60 3.077 3.515 0.100 1.00 12.42 C ATOM 972 CE2 TYR A 60 3.976 3.642 2.314 1.00 31.13 C ATOM 973 CZ TYR A 60 4.161 3.531 0.952 1.00 5.30 C ATOM 974 OH TYR A 60 5.435 3.437 0.440 1.00 41.23 O ATOM 0 H TYR A 60 -1.968 3.583 3.768 1.00 72.13 H new ATOM 0 HA TYR A 60 -0.580 1.938 1.866 1.00 41.34 H new ATOM 0 HB2 TYR A 60 -0.433 4.393 1.855 1.00 14.42 H new ATOM 0 HB3 TYR A 60 0.220 4.390 3.481 1.00 14.42 H new ATOM 0 HD1 TYR A 60 0.953 3.600 -0.052 1.00 12.53 H new ATOM 0 HD2 TYR A 60 2.554 3.822 3.891 1.00 62.03 H new ATOM 0 HE1 TYR A 60 3.225 3.428 -0.966 1.00 12.42 H new ATOM 0 HE2 TYR A 60 4.827 3.655 2.978 1.00 31.13 H new ATOM 0 HH TYR A 60 6.085 3.464 1.173 1.00 41.23 H new ATOM 984 N GLN A 61 0.052 1.611 5.017 1.00 72.11 N ATOM 985 CA GLN A 61 0.808 0.852 6.006 1.00 61.54 C ATOM 986 C GLN A 61 0.515 -0.640 5.887 1.00 34.40 C ATOM 987 O GLN A 61 1.135 -1.460 6.563 1.00 65.43 O ATOM 988 CB GLN A 61 0.476 1.338 7.417 1.00 15.21 C ATOM 989 CG GLN A 61 1.475 0.883 8.469 1.00 53.54 C ATOM 990 CD GLN A 61 1.589 1.857 9.625 1.00 42.43 C ATOM 991 OE1 GLN A 61 2.680 2.325 9.952 1.00 23.32 O ATOM 992 NE2 GLN A 61 0.460 2.169 10.250 1.00 2.43 N ATOM 0 H GLN A 61 -0.756 2.107 5.393 1.00 72.11 H new ATOM 0 HA GLN A 61 1.869 1.012 5.815 1.00 61.54 H new ATOM 0 HB2 GLN A 61 0.433 2.427 7.416 1.00 15.21 H new ATOM 0 HB3 GLN A 61 -0.516 0.980 7.691 1.00 15.21 H new ATOM 0 HG2 GLN A 61 1.176 -0.094 8.850 1.00 53.54 H new ATOM 0 HG3 GLN A 61 2.454 0.759 8.006 1.00 53.54 H new ATOM 0 HE21 GLN A 61 -0.422 1.757 9.945 1.00 2.43 H new ATOM 0 HE22 GLN A 61 0.475 2.820 11.035 1.00 2.43 H new ATOM 1001 N MET A 62 -0.436 -0.985 5.024 1.00 1.33 N ATOM 1002 CA MET A 62 -0.811 -2.379 4.817 1.00 2.31 C ATOM 1003 C MET A 62 0.133 -3.054 3.827 1.00 72.10 C ATOM 1004 O MET A 62 0.911 -3.933 4.197 1.00 31.05 O ATOM 1005 CB MET A 62 -2.252 -2.472 4.311 1.00 4.30 C ATOM 1006 CG MET A 62 -3.218 -1.566 5.058 1.00 64.24 C ATOM 1007 SD MET A 62 -3.278 -1.921 6.824 1.00 31.44 S ATOM 1008 CE MET A 62 -4.998 -1.573 7.181 1.00 34.10 C ATOM 0 H MET A 62 -0.960 -0.318 4.457 1.00 1.33 H new ATOM 0 HA MET A 62 -0.736 -2.896 5.774 1.00 2.31 H new ATOM 0 HB2 MET A 62 -2.274 -2.217 3.251 1.00 4.30 H new ATOM 0 HB3 MET A 62 -2.593 -3.504 4.398 1.00 4.30 H new ATOM 0 HG2 MET A 62 -2.924 -0.527 4.910 1.00 64.24 H new ATOM 0 HG3 MET A 62 -4.216 -1.678 4.635 1.00 64.24 H new ATOM 0 HE1 MET A 62 -5.192 -1.747 8.239 1.00 34.10 H new ATOM 0 HE2 MET A 62 -5.217 -0.533 6.938 1.00 34.10 H new ATOM 0 HE3 MET A 62 -5.633 -2.227 6.583 1.00 34.10 H new ATOM 1018 N SER A 63 0.058 -2.638 2.567 1.00 41.21 N ATOM 1019 CA SER A 63 0.903 -3.206 1.523 1.00 50.11 C ATOM 1020 C SER A 63 0.713 -4.717 1.433 1.00 40.04 C ATOM 1021 O SER A 63 1.599 -5.439 0.976 1.00 1.32 O ATOM 1022 CB SER A 63 2.373 -2.881 1.794 1.00 41.52 C ATOM 1023 OG SER A 63 2.524 -1.550 2.257 1.00 50.32 O ATOM 0 H SER A 63 -0.579 -1.910 2.244 1.00 41.21 H new ATOM 0 HA SER A 63 0.610 -2.763 0.571 1.00 50.11 H new ATOM 0 HB2 SER A 63 2.771 -3.574 2.535 1.00 41.52 H new ATOM 0 HB3 SER A 63 2.954 -3.020 0.882 1.00 41.52 H new ATOM 0 HG SER A 63 3.472 -1.368 2.425 1.00 50.32 H new ATOM 1029 N ALA A 64 -0.450 -5.188 1.871 1.00 24.14 N ATOM 1030 CA ALA A 64 -0.758 -6.612 1.839 1.00 70.31 C ATOM 1031 C ALA A 64 -2.160 -6.883 2.375 1.00 4.02 C ATOM 1032 O ALA A 64 -2.372 -7.825 3.138 1.00 42.40 O ATOM 1033 CB ALA A 64 0.275 -7.394 2.637 1.00 73.30 C ATOM 0 H ALA A 64 -1.194 -4.604 2.252 1.00 24.14 H new ATOM 0 HA ALA A 64 -0.724 -6.942 0.801 1.00 70.31 H new ATOM 0 HB1 ALA A 64 0.032 -8.456 2.604 1.00 73.30 H new ATOM 0 HB2 ALA A 64 1.264 -7.234 2.207 1.00 73.30 H new ATOM 0 HB3 ALA A 64 0.270 -7.052 3.672 1.00 73.30 H new ATOM 1039 N GLY A 65 -3.114 -6.050 1.971 1.00 10.25 N ATOM 1040 CA GLY A 65 -4.483 -6.216 2.422 1.00 34.15 C ATOM 1041 C GLY A 65 -5.450 -6.430 1.275 1.00 40.45 C ATOM 1042 O GLY A 65 -5.556 -5.592 0.379 1.00 4.13 O ATOM 0 H GLY A 65 -2.963 -5.263 1.340 1.00 10.25 H new ATOM 0 HA2 GLY A 65 -4.537 -7.066 3.102 1.00 34.15 H new ATOM 0 HA3 GLY A 65 -4.785 -5.335 2.988 1.00 34.15 H new ATOM 1046 N ALA A 66 -6.156 -7.555 1.299 1.00 32.23 N ATOM 1047 CA ALA A 66 -7.119 -7.876 0.253 1.00 61.10 C ATOM 1048 C ALA A 66 -8.239 -6.843 0.202 1.00 13.02 C ATOM 1049 O ALA A 66 -8.783 -6.449 1.235 1.00 61.23 O ATOM 1050 CB ALA A 66 -7.692 -9.269 0.472 1.00 1.50 C ATOM 0 H ALA A 66 -6.079 -8.260 2.032 1.00 32.23 H new ATOM 0 HA ALA A 66 -6.598 -7.856 -0.704 1.00 61.10 H new ATOM 0 HB1 ALA A 66 -8.410 -9.495 -0.317 1.00 1.50 H new ATOM 0 HB2 ALA A 66 -6.885 -10.002 0.450 1.00 1.50 H new ATOM 0 HB3 ALA A 66 -8.192 -9.309 1.440 1.00 1.50 H new ATOM 1056 N THR A 67 -8.581 -6.406 -1.006 1.00 43.21 N ATOM 1057 CA THR A 67 -9.635 -5.417 -1.191 1.00 51.23 C ATOM 1058 C THR A 67 -10.718 -5.936 -2.130 1.00 65.44 C ATOM 1059 O THR A 67 -10.424 -6.597 -3.127 1.00 40.23 O ATOM 1060 CB THR A 67 -9.075 -4.097 -1.753 1.00 5.51 C ATOM 1061 OG1 THR A 67 -7.689 -4.252 -2.080 1.00 30.25 O ATOM 1062 CG2 THR A 67 -9.240 -2.967 -0.747 1.00 61.23 C ATOM 0 H THR A 67 -8.143 -6.722 -1.871 1.00 43.21 H new ATOM 0 HA THR A 67 -10.068 -5.230 -0.208 1.00 51.23 H new ATOM 0 HB THR A 67 -9.635 -3.845 -2.654 1.00 5.51 H new ATOM 0 HG1 THR A 67 -7.577 -5.026 -2.670 1.00 30.25 H new ATOM 0 HG21 THR A 67 -8.837 -2.045 -1.166 1.00 61.23 H new ATOM 0 HG22 THR A 67 -10.298 -2.832 -0.522 1.00 61.23 H new ATOM 0 HG23 THR A 67 -8.703 -3.214 0.169 1.00 61.23 H new ATOM 1070 N PHE A 68 -11.970 -5.634 -1.807 1.00 13.23 N ATOM 1071 CA PHE A 68 -13.098 -6.071 -2.622 1.00 45.01 C ATOM 1072 C PHE A 68 -14.020 -4.900 -2.947 1.00 52.12 C ATOM 1073 O PHE A 68 -14.664 -4.338 -2.061 1.00 13.31 O ATOM 1074 CB PHE A 68 -13.882 -7.168 -1.899 1.00 52.32 C ATOM 1075 CG PHE A 68 -15.257 -7.391 -2.461 1.00 51.23 C ATOM 1076 CD1 PHE A 68 -15.424 -7.841 -3.761 1.00 50.41 C ATOM 1077 CD2 PHE A 68 -16.383 -7.150 -1.690 1.00 23.01 C ATOM 1078 CE1 PHE A 68 -16.688 -8.047 -4.281 1.00 62.33 C ATOM 1079 CE2 PHE A 68 -17.649 -7.355 -2.205 1.00 22.35 C ATOM 1080 CZ PHE A 68 -17.802 -7.803 -3.502 1.00 63.31 C ATOM 0 H PHE A 68 -12.230 -5.088 -0.986 1.00 13.23 H new ATOM 0 HA PHE A 68 -12.706 -6.471 -3.557 1.00 45.01 H new ATOM 0 HB2 PHE A 68 -13.320 -8.101 -1.953 1.00 52.32 H new ATOM 0 HB3 PHE A 68 -13.967 -6.908 -0.844 1.00 52.32 H new ATOM 0 HD1 PHE A 68 -14.556 -8.033 -4.375 1.00 50.41 H new ATOM 0 HD2 PHE A 68 -16.270 -6.798 -0.675 1.00 23.01 H new ATOM 0 HE1 PHE A 68 -16.804 -8.398 -5.296 1.00 62.33 H new ATOM 0 HE2 PHE A 68 -18.518 -7.165 -1.593 1.00 22.35 H new ATOM 0 HZ PHE A 68 -18.791 -7.962 -3.906 1.00 63.31 H new ATOM 1090 N HIS A 69 -14.078 -4.537 -4.225 1.00 13.03 N ATOM 1091 CA HIS A 69 -14.922 -3.433 -4.668 1.00 42.31 C ATOM 1092 C HIS A 69 -16.313 -3.931 -5.049 1.00 1.43 C ATOM 1093 O HIS A 69 -16.465 -5.028 -5.585 1.00 4.14 O ATOM 1094 CB HIS A 69 -14.280 -2.719 -5.858 1.00 2.30 C ATOM 1095 CG HIS A 69 -13.052 -1.940 -5.498 1.00 62.50 C ATOM 1096 ND1 HIS A 69 -12.796 -0.674 -5.979 1.00 1.45 N ATOM 1097 CD2 HIS A 69 -12.007 -2.256 -4.698 1.00 3.12 C ATOM 1098 CE1 HIS A 69 -11.646 -0.244 -5.491 1.00 22.11 C ATOM 1099 NE2 HIS A 69 -11.147 -1.185 -4.710 1.00 63.42 N ATOM 0 H HIS A 69 -13.551 -4.991 -4.971 1.00 13.03 H new ATOM 0 HA HIS A 69 -15.021 -2.729 -3.841 1.00 42.31 H new ATOM 0 HB2 HIS A 69 -14.022 -3.457 -6.618 1.00 2.30 H new ATOM 0 HB3 HIS A 69 -15.011 -2.044 -6.304 1.00 2.30 H new ATOM 0 HD1 HIS A 69 -13.400 -0.151 -6.613 1.00 1.45 H new ATOM 0 HD2 HIS A 69 -11.874 -3.178 -4.152 1.00 3.12 H new ATOM 0 HE1 HIS A 69 -11.191 0.714 -5.696 1.00 22.11 H new ATOM 1107 N MET A 70 -17.325 -3.116 -4.767 1.00 60.51 N ATOM 1108 CA MET A 70 -18.703 -3.475 -5.081 1.00 14.25 C ATOM 1109 C MET A 70 -19.385 -2.368 -5.878 1.00 40.42 C ATOM 1110 O MET A 70 -19.360 -1.201 -5.486 1.00 14.01 O ATOM 1111 CB MET A 70 -19.486 -3.749 -3.795 1.00 74.42 C ATOM 1112 CG MET A 70 -20.969 -3.994 -4.027 1.00 43.20 C ATOM 1113 SD MET A 70 -21.617 -5.339 -3.017 1.00 31.13 S ATOM 1114 CE MET A 70 -23.349 -5.301 -3.474 1.00 24.35 C ATOM 0 H MET A 70 -17.217 -2.204 -4.322 1.00 60.51 H new ATOM 0 HA MET A 70 -18.687 -4.380 -5.689 1.00 14.25 H new ATOM 0 HB2 MET A 70 -19.056 -4.617 -3.296 1.00 74.42 H new ATOM 0 HB3 MET A 70 -19.367 -2.902 -3.119 1.00 74.42 H new ATOM 0 HG2 MET A 70 -21.523 -3.081 -3.808 1.00 43.20 H new ATOM 0 HG3 MET A 70 -21.135 -4.223 -5.080 1.00 43.20 H new ATOM 0 HE1 MET A 70 -23.886 -6.078 -2.930 1.00 24.35 H new ATOM 0 HE2 MET A 70 -23.770 -4.327 -3.225 1.00 24.35 H new ATOM 0 HE3 MET A 70 -23.446 -5.475 -4.546 1.00 24.35 H new ATOM 1124 N VAL A 71 -19.993 -2.741 -7.000 1.00 43.41 N ATOM 1125 CA VAL A 71 -20.682 -1.779 -7.852 1.00 64.15 C ATOM 1126 C VAL A 71 -22.009 -2.339 -8.352 1.00 23.33 C ATOM 1127 O VAL A 71 -22.039 -3.266 -9.162 1.00 5.21 O ATOM 1128 CB VAL A 71 -19.817 -1.382 -9.063 1.00 44.34 C ATOM 1129 CG1 VAL A 71 -19.310 -2.620 -9.787 1.00 43.10 C ATOM 1130 CG2 VAL A 71 -20.603 -0.486 -10.009 1.00 33.34 C ATOM 0 H VAL A 71 -20.022 -3.702 -7.340 1.00 43.41 H new ATOM 0 HA VAL A 71 -20.870 -0.895 -7.243 1.00 64.15 H new ATOM 0 HB VAL A 71 -18.954 -0.823 -8.702 1.00 44.34 H new ATOM 0 HG11 VAL A 71 -18.701 -2.319 -10.639 1.00 43.10 H new ATOM 0 HG12 VAL A 71 -18.708 -3.220 -9.104 1.00 43.10 H new ATOM 0 HG13 VAL A 71 -20.157 -3.210 -10.137 1.00 43.10 H new ATOM 0 HG21 VAL A 71 -19.976 -0.215 -10.859 1.00 33.34 H new ATOM 0 HG22 VAL A 71 -21.486 -1.017 -10.364 1.00 33.34 H new ATOM 0 HG23 VAL A 71 -20.911 0.418 -9.483 1.00 33.34 H new ATOM 1140 N VAL A 72 -23.106 -1.770 -7.863 1.00 73.40 N ATOM 1141 CA VAL A 72 -24.438 -2.212 -8.261 1.00 2.44 C ATOM 1142 C VAL A 72 -25.106 -1.189 -9.173 1.00 61.21 C ATOM 1143 O VAL A 72 -25.542 -0.130 -8.722 1.00 25.52 O ATOM 1144 CB VAL A 72 -25.338 -2.455 -7.035 1.00 1.44 C ATOM 1145 CG1 VAL A 72 -25.299 -1.257 -6.098 1.00 13.13 C ATOM 1146 CG2 VAL A 72 -26.764 -2.754 -7.472 1.00 22.01 C ATOM 0 H VAL A 72 -23.099 -1.003 -7.191 1.00 73.40 H new ATOM 0 HA VAL A 72 -24.312 -3.150 -8.802 1.00 2.44 H new ATOM 0 HB VAL A 72 -24.959 -3.322 -6.494 1.00 1.44 H new ATOM 0 HG11 VAL A 72 -25.941 -1.447 -5.238 1.00 13.13 H new ATOM 0 HG12 VAL A 72 -24.276 -1.094 -5.759 1.00 13.13 H new ATOM 0 HG13 VAL A 72 -25.652 -0.371 -6.625 1.00 13.13 H new ATOM 0 HG21 VAL A 72 -27.386 -2.923 -6.593 1.00 22.01 H new ATOM 0 HG22 VAL A 72 -27.156 -1.908 -8.037 1.00 22.01 H new ATOM 0 HG23 VAL A 72 -26.773 -3.645 -8.100 1.00 22.01 H new