USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 791 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 4 GLN : amide:sc= -1.19 K(o=-3.8,f=-0.23) USER MOD Set 1.2: A 26 TYR OH : rot 20:sc= -0.983 USER MOD Set 1.3: A 54 LYS NZ :NH3+ -165:sc= -1.66 (180deg=-2.72!) USER MOD Set 2.1: A 1 MET CE :methyl 167:sc= 0 (180deg=0) USER MOD Set 2.2: A 3 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : A 1 MET N :NH3+ -158:sc= 0 (180deg=-0.356) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= -0.0478 (180deg=-0.275) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -24:sc= 0.0357 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= -0.0765 (180deg=-0.474) USER MOD Single : A 28 THR OG1 : rot -15:sc= -1.24! USER MOD Single : A 30 CYS SG : rot 160:sc= -0.965 USER MOD Single : A 33 CYS SG : rot 172:sc= -1.43 USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= -0.0467 (180deg=-0.278) USER MOD Single : A 35 MET CE :methyl -160:sc= -0.144 (180deg=-0.963) USER MOD Single : A 39 MET CE :methyl 159:sc= -0.191 (180deg=-0.865) USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= -0.0175 (180deg=-0.198) USER MOD Single : A 44 SER OG : rot -35:sc= 0.912 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -125:sc= 0.512 USER MOD Single : A 49 GLN : amide:sc= -3.29! C(o=-3.3!,f=-6.9!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -105:sc= -2.52! (180deg=-5.3!) USER MOD Single : A 67 ASN : amide:sc= -0.957 K(o=-0.96,f=-0.23) USER MOD Single : A 70 SER OG : rot 12:sc= 0.587 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 98:sc= -8.25! USER MOD Single : A 79 LYS NZ :NH3+ -135:sc= -0.578 (180deg=-5.68!) USER MOD Single : A 80 ASN : amide:sc= -0.0431 K(o=-0.043,f=-0.87) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -3.29! K(o=-3.3!,f=-0.18) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0.297 X(o=0.3,f=0) USER MOD Single : A 102 ASN : amide:sc= 0.00566 K(o=0.0057,f=-4.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.236 11.805 5.051 1.00 0.00 N ATOM 2 CA MET A 1 -1.470 11.656 4.238 1.00 0.00 C ATOM 3 C MET A 1 -1.676 10.207 3.809 1.00 0.00 C ATOM 4 O MET A 1 -0.721 9.506 3.477 1.00 0.00 O ATOM 5 CB MET A 1 -1.356 12.560 3.009 1.00 0.00 C ATOM 6 CG MET A 1 -2.561 12.489 2.085 1.00 0.00 C ATOM 7 SD MET A 1 -4.092 12.982 2.900 1.00 0.00 S ATOM 8 CE MET A 1 -5.265 12.790 1.561 1.00 0.00 C ATOM 0 H1 MET A 1 -0.302 12.668 5.628 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.129 10.979 5.674 1.00 0.00 H new ATOM 0 H3 MET A 1 0.589 11.873 4.421 1.00 0.00 H new ATOM 0 HA MET A 1 -2.332 11.946 4.839 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.222 13.590 3.338 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.463 12.285 2.448 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.390 13.132 1.222 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.666 11.471 1.709 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.280 12.831 1.957 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.125 13.593 0.837 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.105 11.829 1.072 1.00 0.00 H new ATOM 20 N VAL A 2 -2.930 9.764 3.821 1.00 0.00 N ATOM 21 CA VAL A 2 -3.260 8.397 3.434 1.00 0.00 C ATOM 22 C VAL A 2 -4.695 8.305 2.922 1.00 0.00 C ATOM 23 O VAL A 2 -5.585 8.999 3.416 1.00 0.00 O ATOM 24 CB VAL A 2 -3.081 7.424 4.613 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.321 5.989 4.169 1.00 0.00 C ATOM 26 CG2 VAL A 2 -1.697 7.575 5.228 1.00 0.00 C ATOM 0 H VAL A 2 -3.733 10.331 4.094 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.574 8.116 2.635 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.821 7.671 5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.189 5.319 5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.336 5.892 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.610 5.727 3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.590 6.879 6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.939 7.360 4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.569 8.595 5.590 1.00 0.00 H new ATOM 36 N THR A 3 -4.914 7.447 1.932 1.00 0.00 N ATOM 37 CA THR A 3 -6.243 7.271 1.356 1.00 0.00 C ATOM 38 C THR A 3 -6.431 5.849 0.832 1.00 0.00 C ATOM 39 O THR A 3 -5.484 5.218 0.365 1.00 0.00 O ATOM 40 CB THR A 3 -6.470 8.278 0.228 1.00 0.00 C ATOM 41 OG1 THR A 3 -6.344 9.605 0.708 1.00 0.00 O ATOM 42 CG2 THR A 3 -7.831 8.154 -0.424 1.00 0.00 C ATOM 0 H THR A 3 -4.191 6.863 1.512 1.00 0.00 H new ATOM 0 HA THR A 3 -6.976 7.445 2.143 1.00 0.00 H new ATOM 0 HB THR A 3 -5.707 8.052 -0.517 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.491 10.235 -0.028 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.925 8.898 -1.215 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.941 7.156 -0.849 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.608 8.318 0.322 1.00 0.00 H new ATOM 50 N GLN A 4 -7.663 5.356 0.913 1.00 0.00 N ATOM 51 CA GLN A 4 -7.989 4.010 0.449 1.00 0.00 C ATOM 52 C GLN A 4 -8.399 4.039 -1.019 1.00 0.00 C ATOM 53 O GLN A 4 -8.383 5.093 -1.656 1.00 0.00 O ATOM 54 CB GLN A 4 -9.136 3.437 1.279 1.00 0.00 C ATOM 55 CG GLN A 4 -8.922 3.553 2.779 1.00 0.00 C ATOM 56 CD GLN A 4 -10.106 3.044 3.579 1.00 0.00 C ATOM 57 OE1 GLN A 4 -11.226 3.533 3.431 1.00 0.00 O ATOM 58 NE2 GLN A 4 -9.863 2.059 4.436 1.00 0.00 N ATOM 0 H GLN A 4 -8.456 5.870 1.297 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.105 3.383 0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.059 3.952 1.012 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.271 2.387 1.020 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.031 2.992 3.059 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.736 4.596 3.036 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.919 1.683 4.527 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.620 1.678 5.003 1.00 0.00 H new ATOM 67 N PHE A 5 -8.784 2.882 -1.550 1.00 0.00 N ATOM 68 CA PHE A 5 -9.216 2.793 -2.939 1.00 0.00 C ATOM 69 C PHE A 5 -10.489 1.965 -3.073 1.00 0.00 C ATOM 70 O PHE A 5 -10.619 0.900 -2.471 1.00 0.00 O ATOM 71 CB PHE A 5 -8.118 2.194 -3.818 1.00 0.00 C ATOM 72 CG PHE A 5 -6.903 3.066 -3.951 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.030 4.443 -4.070 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.635 2.509 -3.986 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.917 5.247 -4.219 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.518 3.309 -4.132 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.660 4.678 -4.251 1.00 0.00 C ATOM 0 H PHE A 5 -8.805 1.998 -1.042 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.425 3.808 -3.276 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.819 1.231 -3.403 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.525 2.001 -4.810 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.012 4.892 -4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.518 1.439 -3.898 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.030 6.317 -4.310 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.534 2.864 -4.153 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.787 5.303 -4.369 1.00 0.00 H new ATOM 87 N LYS A 6 -11.423 2.465 -3.877 1.00 0.00 N ATOM 88 CA LYS A 6 -12.688 1.776 -4.107 1.00 0.00 C ATOM 89 C LYS A 6 -12.779 1.292 -5.551 1.00 0.00 C ATOM 90 O LYS A 6 -13.353 0.242 -5.828 1.00 0.00 O ATOM 91 CB LYS A 6 -13.866 2.699 -3.788 1.00 0.00 C ATOM 92 CG LYS A 6 -13.916 3.139 -2.333 1.00 0.00 C ATOM 93 CD LYS A 6 -14.043 1.948 -1.397 1.00 0.00 C ATOM 94 CE LYS A 6 -14.098 2.386 0.058 1.00 0.00 C ATOM 95 NZ LYS A 6 -15.262 3.275 0.327 1.00 0.00 N ATOM 0 H LYS A 6 -11.327 3.347 -4.381 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.731 0.911 -3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.808 3.582 -4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.796 2.187 -4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.014 3.700 -2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.760 3.812 -2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.943 1.385 -1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.197 1.276 -1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.157 1.507 0.700 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.176 2.907 0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.404 3.360 1.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.080 4.216 -0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.116 2.871 -0.108 1.00 0.00 H new ATOM 109 N THR A 7 -12.201 2.058 -6.470 1.00 0.00 N ATOM 110 CA THR A 7 -12.214 1.695 -7.880 1.00 0.00 C ATOM 111 C THR A 7 -10.790 1.646 -8.421 1.00 0.00 C ATOM 112 O THR A 7 -9.859 2.139 -7.784 1.00 0.00 O ATOM 113 CB THR A 7 -13.051 2.695 -8.679 1.00 0.00 C ATOM 114 OG1 THR A 7 -14.292 2.931 -8.040 1.00 0.00 O ATOM 115 CG2 THR A 7 -13.352 2.234 -10.088 1.00 0.00 C ATOM 0 H THR A 7 -11.719 2.933 -6.263 1.00 0.00 H new ATOM 0 HA THR A 7 -12.663 0.707 -7.983 1.00 0.00 H new ATOM 0 HB THR A 7 -12.447 3.601 -8.727 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.813 3.574 -8.565 1.00 0.00 H new ATOM 0 HG21 THR A 7 -13.949 2.990 -10.599 1.00 0.00 H new ATOM 0 HG22 THR A 7 -12.418 2.083 -10.629 1.00 0.00 H new ATOM 0 HG23 THR A 7 -13.907 1.296 -10.053 1.00 0.00 H new ATOM 123 N ALA A 8 -10.621 1.049 -9.594 1.00 0.00 N ATOM 124 CA ALA A 8 -9.301 0.940 -10.204 1.00 0.00 C ATOM 125 C ALA A 8 -8.881 2.257 -10.837 1.00 0.00 C ATOM 126 O ALA A 8 -7.694 2.577 -10.896 1.00 0.00 O ATOM 127 CB ALA A 8 -9.280 -0.181 -11.234 1.00 0.00 C ATOM 0 H ALA A 8 -11.377 0.635 -10.140 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.584 0.702 -9.418 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.287 -0.248 -11.679 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.524 -1.126 -10.748 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.013 0.027 -12.013 1.00 0.00 H new ATOM 133 N SER A 9 -9.861 3.024 -11.293 1.00 0.00 N ATOM 134 CA SER A 9 -9.591 4.317 -11.906 1.00 0.00 C ATOM 135 C SER A 9 -8.866 5.240 -10.928 1.00 0.00 C ATOM 136 O SER A 9 -8.287 6.249 -11.329 1.00 0.00 O ATOM 137 CB SER A 9 -10.899 4.968 -12.362 1.00 0.00 C ATOM 138 OG SER A 9 -10.660 6.228 -12.964 1.00 0.00 O ATOM 0 H SER A 9 -10.849 2.774 -11.250 1.00 0.00 H new ATOM 0 HA SER A 9 -8.949 4.156 -12.772 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.407 4.314 -13.071 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.565 5.090 -11.508 1.00 0.00 H new ATOM 0 HG SER A 9 -9.810 6.591 -12.637 1.00 0.00 H new ATOM 144 N GLU A 10 -8.902 4.889 -9.643 1.00 0.00 N ATOM 145 CA GLU A 10 -8.251 5.686 -8.618 1.00 0.00 C ATOM 146 C GLU A 10 -6.817 5.230 -8.406 1.00 0.00 C ATOM 147 O GLU A 10 -5.872 6.005 -8.549 1.00 0.00 O ATOM 148 CB GLU A 10 -9.029 5.601 -7.304 1.00 0.00 C ATOM 149 CG GLU A 10 -10.460 6.099 -7.410 1.00 0.00 C ATOM 150 CD GLU A 10 -11.210 6.005 -6.096 1.00 0.00 C ATOM 151 OE1 GLU A 10 -11.341 4.880 -5.567 1.00 0.00 O ATOM 152 OE2 GLU A 10 -11.665 7.054 -5.593 1.00 0.00 O ATOM 0 H GLU A 10 -9.377 4.057 -9.292 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.236 6.723 -8.954 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.038 4.566 -6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.506 6.182 -6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.456 7.135 -7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.987 5.519 -8.167 1.00 0.00 H new ATOM 159 N PHE A 11 -6.672 3.964 -8.058 1.00 0.00 N ATOM 160 CA PHE A 11 -5.363 3.374 -7.818 1.00 0.00 C ATOM 161 C PHE A 11 -4.552 3.319 -9.111 1.00 0.00 C ATOM 162 O PHE A 11 -3.323 3.367 -9.089 1.00 0.00 O ATOM 163 CB PHE A 11 -5.521 1.967 -7.231 1.00 0.00 C ATOM 164 CG PHE A 11 -4.257 1.386 -6.654 1.00 0.00 C ATOM 165 CD1 PHE A 11 -3.081 2.123 -6.605 1.00 0.00 C ATOM 166 CD2 PHE A 11 -4.250 0.094 -6.149 1.00 0.00 C ATOM 167 CE1 PHE A 11 -1.929 1.581 -6.070 1.00 0.00 C ATOM 168 CE2 PHE A 11 -3.100 -0.450 -5.611 1.00 0.00 C ATOM 169 CZ PHE A 11 -1.939 0.294 -5.571 1.00 0.00 C ATOM 0 H PHE A 11 -7.451 3.318 -7.934 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.827 3.998 -7.103 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.282 1.996 -6.451 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.889 1.301 -8.011 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.067 3.132 -6.990 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.155 -0.494 -6.177 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.020 2.164 -6.042 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.110 -1.457 -5.222 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.039 -0.130 -5.150 1.00 0.00 H new ATOM 179 N ASP A 12 -5.250 3.223 -10.239 1.00 0.00 N ATOM 180 CA ASP A 12 -4.595 3.163 -11.541 1.00 0.00 C ATOM 181 C ASP A 12 -3.739 4.404 -11.775 1.00 0.00 C ATOM 182 O ASP A 12 -2.615 4.311 -12.269 1.00 0.00 O ATOM 183 CB ASP A 12 -5.636 3.033 -12.656 1.00 0.00 C ATOM 184 CG ASP A 12 -5.006 2.935 -14.031 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.290 3.881 -14.425 1.00 0.00 O ATOM 186 OD2 ASP A 12 -5.227 1.912 -14.714 1.00 0.00 O ATOM 0 H ASP A 12 -6.269 3.185 -10.277 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.948 2.286 -11.553 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.247 2.149 -12.476 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.304 3.894 -12.627 1.00 0.00 H new ATOM 191 N SER A 13 -4.277 5.565 -11.416 1.00 0.00 N ATOM 192 CA SER A 13 -3.563 6.825 -11.586 1.00 0.00 C ATOM 193 C SER A 13 -2.537 7.025 -10.474 1.00 0.00 C ATOM 194 O SER A 13 -1.505 7.664 -10.678 1.00 0.00 O ATOM 195 CB SER A 13 -4.549 7.995 -11.603 1.00 0.00 C ATOM 196 OG SER A 13 -5.477 7.867 -12.667 1.00 0.00 O ATOM 0 H SER A 13 -5.206 5.659 -11.005 1.00 0.00 H new ATOM 0 HA SER A 13 -3.035 6.789 -12.539 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.083 8.038 -10.654 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.003 8.933 -11.704 1.00 0.00 H new ATOM 0 HG SER A 13 -6.096 8.626 -12.654 1.00 0.00 H new ATOM 202 N ALA A 14 -2.829 6.475 -9.299 1.00 0.00 N ATOM 203 CA ALA A 14 -1.931 6.592 -8.157 1.00 0.00 C ATOM 204 C ALA A 14 -0.551 6.030 -8.481 1.00 0.00 C ATOM 205 O ALA A 14 0.461 6.512 -7.972 1.00 0.00 O ATOM 206 CB ALA A 14 -2.522 5.885 -6.948 1.00 0.00 C ATOM 0 H ALA A 14 -3.680 5.944 -9.114 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.815 7.651 -7.925 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.841 5.980 -6.102 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.481 6.337 -6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.668 4.830 -7.179 1.00 0.00 H new ATOM 212 N ILE A 15 -0.518 5.008 -9.329 1.00 0.00 N ATOM 213 CA ILE A 15 0.739 4.382 -9.719 1.00 0.00 C ATOM 214 C ILE A 15 1.331 5.052 -10.957 1.00 0.00 C ATOM 215 O ILE A 15 2.509 5.400 -10.975 1.00 0.00 O ATOM 216 CB ILE A 15 0.565 2.869 -9.974 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.429 2.611 -11.110 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.107 2.174 -8.699 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.699 1.141 -11.356 1.00 0.00 C ATOM 0 H ILE A 15 -1.346 4.596 -9.759 1.00 0.00 H new ATOM 0 HA ILE A 15 1.430 4.513 -8.886 1.00 0.00 H new ATOM 0 HB ILE A 15 1.530 2.460 -10.274 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.370 3.111 -10.879 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.046 3.060 -12.026 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.013 1.107 -8.889 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.851 2.322 -7.917 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.846 2.595 -8.377 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.412 1.034 -12.174 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.232 0.639 -11.618 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.112 0.691 -10.453 1.00 0.00 H new ATOM 231 N ALA A 16 0.507 5.229 -11.988 1.00 0.00 N ATOM 232 CA ALA A 16 0.951 5.851 -13.237 1.00 0.00 C ATOM 233 C ALA A 16 1.831 7.073 -12.989 1.00 0.00 C ATOM 234 O ALA A 16 1.336 8.155 -12.676 1.00 0.00 O ATOM 235 CB ALA A 16 -0.250 6.231 -14.088 1.00 0.00 C ATOM 0 H ALA A 16 -0.474 4.950 -11.984 1.00 0.00 H new ATOM 0 HA ALA A 16 1.556 5.118 -13.771 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.092 6.693 -15.014 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.829 5.337 -14.320 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.875 6.936 -13.540 1.00 0.00 H new ATOM 241 N GLN A 17 3.144 6.888 -13.141 1.00 0.00 N ATOM 242 CA GLN A 17 4.107 7.969 -12.944 1.00 0.00 C ATOM 243 C GLN A 17 3.779 8.779 -11.695 1.00 0.00 C ATOM 244 O GLN A 17 3.095 9.801 -11.769 1.00 0.00 O ATOM 245 CB GLN A 17 4.134 8.886 -14.168 1.00 0.00 C ATOM 246 CG GLN A 17 4.621 8.195 -15.431 1.00 0.00 C ATOM 247 CD GLN A 17 4.644 9.121 -16.630 1.00 0.00 C ATOM 248 OE1 GLN A 17 5.307 10.158 -16.617 1.00 0.00 O ATOM 249 NE2 GLN A 17 3.918 8.749 -17.678 1.00 0.00 N ATOM 0 H GLN A 17 3.564 5.996 -13.401 1.00 0.00 H new ATOM 0 HA GLN A 17 5.091 7.520 -12.811 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.132 9.278 -14.341 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.778 9.740 -13.959 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.623 7.801 -15.262 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.976 7.343 -15.647 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.383 7.881 -17.646 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.895 9.331 -18.515 1.00 0.00 H new ATOM 258 N ASP A 18 4.269 8.320 -10.549 1.00 0.00 N ATOM 259 CA ASP A 18 4.019 9.010 -9.296 1.00 0.00 C ATOM 260 C ASP A 18 4.938 8.510 -8.186 1.00 0.00 C ATOM 261 O ASP A 18 4.518 8.375 -7.037 1.00 0.00 O ATOM 262 CB ASP A 18 2.554 8.844 -8.884 1.00 0.00 C ATOM 263 CG ASP A 18 2.210 9.626 -7.630 1.00 0.00 C ATOM 264 OD1 ASP A 18 2.357 10.866 -7.645 1.00 0.00 O ATOM 265 OD2 ASP A 18 1.794 8.997 -6.633 1.00 0.00 O ATOM 0 H ASP A 18 4.838 7.478 -10.465 1.00 0.00 H new ATOM 0 HA ASP A 18 4.231 10.068 -9.451 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.911 9.172 -9.701 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.344 7.787 -8.718 1.00 0.00 H new ATOM 270 N LYS A 19 6.199 8.246 -8.528 1.00 0.00 N ATOM 271 CA LYS A 19 7.165 7.784 -7.547 1.00 0.00 C ATOM 272 C LYS A 19 6.772 6.408 -7.023 1.00 0.00 C ATOM 273 O LYS A 19 6.114 5.634 -7.719 1.00 0.00 O ATOM 274 CB LYS A 19 7.269 8.817 -6.417 1.00 0.00 C ATOM 275 CG LYS A 19 7.767 10.184 -6.868 1.00 0.00 C ATOM 276 CD LYS A 19 6.747 10.909 -7.734 1.00 0.00 C ATOM 277 CE LYS A 19 7.190 12.330 -8.042 1.00 0.00 C ATOM 278 NZ LYS A 19 7.372 13.135 -6.803 1.00 0.00 N ATOM 0 H LYS A 19 6.569 8.345 -9.474 1.00 0.00 H new ATOM 0 HA LYS A 19 8.146 7.683 -8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.289 8.934 -5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.940 8.433 -5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.996 10.792 -5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.696 10.065 -7.426 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.604 10.361 -8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.784 10.929 -7.224 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.126 12.306 -8.600 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.450 12.811 -8.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.355 14.147 -7.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.603 12.923 -6.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.285 12.898 -6.366 1.00 0.00 H new ATOM 292 N LEU A 20 7.187 6.100 -5.807 1.00 0.00 N ATOM 293 CA LEU A 20 6.892 4.812 -5.201 1.00 0.00 C ATOM 294 C LEU A 20 5.686 4.909 -4.278 1.00 0.00 C ATOM 295 O LEU A 20 5.728 5.579 -3.247 1.00 0.00 O ATOM 296 CB LEU A 20 8.099 4.322 -4.405 1.00 0.00 C ATOM 297 CG LEU A 20 7.881 3.010 -3.653 1.00 0.00 C ATOM 298 CD1 LEU A 20 7.714 1.858 -4.631 1.00 0.00 C ATOM 299 CD2 LEU A 20 9.032 2.745 -2.695 1.00 0.00 C ATOM 0 H LEU A 20 7.732 6.728 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 20 6.666 4.106 -6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.940 4.198 -5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.381 5.093 -3.688 1.00 0.00 H new ATOM 0 HG LEU A 20 6.966 3.095 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.560 0.931 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.852 2.046 -5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.610 1.769 -5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.859 1.806 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.964 2.680 -3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.099 3.559 -1.973 1.00 0.00 H new ATOM 311 N VAL A 21 4.613 4.227 -4.659 1.00 0.00 N ATOM 312 CA VAL A 21 3.389 4.226 -3.874 1.00 0.00 C ATOM 313 C VAL A 21 3.247 2.922 -3.098 1.00 0.00 C ATOM 314 O VAL A 21 3.195 1.841 -3.685 1.00 0.00 O ATOM 315 CB VAL A 21 2.149 4.418 -4.771 1.00 0.00 C ATOM 316 CG1 VAL A 21 0.879 4.471 -3.934 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.293 5.677 -5.613 1.00 0.00 C ATOM 0 H VAL A 21 4.568 3.666 -5.510 1.00 0.00 H new ATOM 0 HA VAL A 21 3.452 5.060 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 21 2.075 3.562 -5.442 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.018 4.607 -4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.770 3.539 -3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.939 5.305 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.410 5.798 -6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.395 6.543 -4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.178 5.593 -6.244 1.00 0.00 H new ATOM 327 N VAL A 22 3.183 3.030 -1.778 1.00 0.00 N ATOM 328 CA VAL A 22 3.043 1.859 -0.925 1.00 0.00 C ATOM 329 C VAL A 22 1.595 1.682 -0.491 1.00 0.00 C ATOM 330 O VAL A 22 1.130 2.332 0.445 1.00 0.00 O ATOM 331 CB VAL A 22 3.939 1.964 0.325 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.834 0.702 1.171 1.00 0.00 C ATOM 333 CG2 VAL A 22 5.381 2.230 -0.074 1.00 0.00 C ATOM 0 H VAL A 22 3.226 3.916 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 22 3.357 0.993 -1.509 1.00 0.00 H new ATOM 0 HB VAL A 22 3.592 2.803 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.474 0.798 2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.801 0.562 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.152 -0.158 0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.999 2.301 0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.742 1.414 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.438 3.166 -0.630 1.00 0.00 H new ATOM 343 N VAL A 23 0.882 0.804 -1.188 1.00 0.00 N ATOM 344 CA VAL A 23 -0.518 0.548 -0.884 1.00 0.00 C ATOM 345 C VAL A 23 -0.678 -0.720 -0.060 1.00 0.00 C ATOM 346 O VAL A 23 0.066 -1.686 -0.229 1.00 0.00 O ATOM 347 CB VAL A 23 -1.355 0.430 -2.169 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.832 0.259 -1.838 1.00 0.00 C ATOM 349 CG2 VAL A 23 -1.137 1.646 -3.054 1.00 0.00 C ATOM 0 H VAL A 23 1.252 0.259 -1.967 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.879 1.397 -0.303 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.028 -0.456 -2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.405 0.178 -2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.970 -0.645 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.180 1.122 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.736 1.549 -3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.436 2.546 -2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.083 1.717 -3.322 1.00 0.00 H new ATOM 359 N ASP A 24 -1.657 -0.707 0.837 1.00 0.00 N ATOM 360 CA ASP A 24 -1.923 -1.849 1.698 1.00 0.00 C ATOM 361 C ASP A 24 -3.200 -2.567 1.260 1.00 0.00 C ATOM 362 O ASP A 24 -4.256 -1.950 1.143 1.00 0.00 O ATOM 363 CB ASP A 24 -2.054 -1.386 3.151 1.00 0.00 C ATOM 364 CG ASP A 24 -2.198 -2.541 4.122 1.00 0.00 C ATOM 365 OD1 ASP A 24 -1.243 -3.333 4.248 1.00 0.00 O ATOM 366 OD2 ASP A 24 -3.266 -2.653 4.757 1.00 0.00 O ATOM 0 H ASP A 24 -2.281 0.086 0.986 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.090 -2.547 1.618 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.177 -0.797 3.421 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.920 -0.730 3.242 1.00 0.00 H new ATOM 371 N PHE A 25 -3.100 -3.871 1.022 1.00 0.00 N ATOM 372 CA PHE A 25 -4.239 -4.663 0.603 1.00 0.00 C ATOM 373 C PHE A 25 -4.836 -5.402 1.794 1.00 0.00 C ATOM 374 O PHE A 25 -5.057 -6.613 1.747 1.00 0.00 O ATOM 375 CB PHE A 25 -3.797 -5.663 -0.464 1.00 0.00 C ATOM 376 CG PHE A 25 -3.590 -5.076 -1.830 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.691 -4.041 -2.048 1.00 0.00 C ATOM 378 CD2 PHE A 25 -4.279 -5.597 -2.908 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.489 -3.539 -3.322 1.00 0.00 C ATOM 380 CE2 PHE A 25 -4.087 -5.099 -4.178 1.00 0.00 C ATOM 381 CZ PHE A 25 -3.190 -4.070 -4.388 1.00 0.00 C ATOM 0 H PHE A 25 -2.233 -4.400 1.115 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.000 -4.002 0.188 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.867 -6.131 -0.140 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.544 -6.453 -0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.144 -3.623 -1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.978 -6.406 -2.753 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.786 -2.735 -3.482 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.638 -5.513 -5.009 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.037 -3.681 -5.384 1.00 0.00 H new ATOM 391 N TYR A 26 -5.091 -4.657 2.864 1.00 0.00 N ATOM 392 CA TYR A 26 -5.662 -5.223 4.079 1.00 0.00 C ATOM 393 C TYR A 26 -6.940 -6.000 3.787 1.00 0.00 C ATOM 394 O TYR A 26 -7.764 -5.577 2.981 1.00 0.00 O ATOM 395 CB TYR A 26 -5.930 -4.115 5.103 1.00 0.00 C ATOM 396 CG TYR A 26 -6.621 -2.893 4.528 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.844 -3.001 3.874 1.00 0.00 C ATOM 398 CD2 TYR A 26 -6.050 -1.628 4.635 1.00 0.00 C ATOM 399 CE1 TYR A 26 -8.472 -1.889 3.351 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.672 -0.521 4.120 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.886 -0.650 3.480 1.00 0.00 C ATOM 402 OH TYR A 26 -8.506 0.461 2.957 1.00 0.00 O ATOM 0 H TYR A 26 -4.910 -3.654 2.914 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.938 -5.924 4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.543 -4.520 5.908 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.983 -3.808 5.546 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.309 -3.970 3.774 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.098 -1.517 5.134 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.419 -1.990 2.843 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.212 0.451 4.215 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.458 0.271 2.821 1.00 0.00 H new ATOM 412 N ALA A 27 -7.098 -7.143 4.446 1.00 0.00 N ATOM 413 CA ALA A 27 -8.279 -7.972 4.250 1.00 0.00 C ATOM 414 C ALA A 27 -9.531 -7.230 4.688 1.00 0.00 C ATOM 415 O ALA A 27 -9.489 -6.403 5.597 1.00 0.00 O ATOM 416 CB ALA A 27 -8.148 -9.278 5.013 1.00 0.00 C ATOM 0 H ALA A 27 -6.426 -7.514 5.117 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.363 -8.199 3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.040 -9.883 4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.273 -9.821 4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.037 -9.068 6.077 1.00 0.00 H new ATOM 422 N THR A 28 -10.646 -7.529 4.035 1.00 0.00 N ATOM 423 CA THR A 28 -11.907 -6.881 4.362 1.00 0.00 C ATOM 424 C THR A 28 -12.495 -7.411 5.670 1.00 0.00 C ATOM 425 O THR A 28 -13.442 -6.838 6.207 1.00 0.00 O ATOM 426 CB THR A 28 -12.915 -7.068 3.231 1.00 0.00 C ATOM 427 OG1 THR A 28 -14.186 -6.574 3.617 1.00 0.00 O ATOM 428 CG2 THR A 28 -13.094 -8.511 2.811 1.00 0.00 C ATOM 0 H THR A 28 -10.702 -8.212 3.280 1.00 0.00 H new ATOM 0 HA THR A 28 -11.700 -5.819 4.490 1.00 0.00 H new ATOM 0 HB THR A 28 -12.507 -6.514 2.386 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.204 -6.440 4.588 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.824 -8.567 2.004 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.140 -8.910 2.466 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.446 -9.096 3.660 1.00 0.00 H new ATOM 436 N TRP A 29 -11.941 -8.511 6.176 1.00 0.00 N ATOM 437 CA TRP A 29 -12.430 -9.112 7.415 1.00 0.00 C ATOM 438 C TRP A 29 -11.412 -8.991 8.547 1.00 0.00 C ATOM 439 O TRP A 29 -11.701 -8.388 9.581 1.00 0.00 O ATOM 440 CB TRP A 29 -12.791 -10.585 7.191 1.00 0.00 C ATOM 441 CG TRP A 29 -11.803 -11.318 6.336 1.00 0.00 C ATOM 442 CD1 TRP A 29 -11.681 -11.239 4.979 1.00 0.00 C ATOM 443 CD2 TRP A 29 -10.783 -12.224 6.779 1.00 0.00 C ATOM 444 NE1 TRP A 29 -10.659 -12.048 4.548 1.00 0.00 N ATOM 445 CE2 TRP A 29 -10.090 -12.660 5.634 1.00 0.00 C ATOM 446 CE3 TRP A 29 -10.393 -12.708 8.029 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -9.028 -13.556 5.704 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -9.337 -13.597 8.097 1.00 0.00 C ATOM 449 CH2 TRP A 29 -8.664 -14.013 6.941 1.00 0.00 C ATOM 0 H TRP A 29 -11.156 -9.003 5.749 1.00 0.00 H new ATOM 0 HA TRP A 29 -13.324 -8.563 7.710 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.864 -11.084 8.157 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -13.775 -10.643 6.727 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -12.299 -10.629 4.337 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.370 -12.173 3.578 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.907 -12.394 8.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.509 -13.879 4.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.025 -13.978 9.058 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.842 -14.708 7.028 1.00 0.00 H new ATOM 460 N CYS A 30 -10.226 -9.576 8.344 1.00 0.00 N ATOM 461 CA CYS A 30 -9.137 -9.565 9.333 1.00 0.00 C ATOM 462 C CYS A 30 -9.541 -8.901 10.652 1.00 0.00 C ATOM 463 O CYS A 30 -9.875 -9.581 11.623 1.00 0.00 O ATOM 464 CB CYS A 30 -7.908 -8.866 8.750 1.00 0.00 C ATOM 465 SG CYS A 30 -6.497 -8.776 9.877 1.00 0.00 S ATOM 0 H CYS A 30 -9.991 -10.074 7.485 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.901 -10.605 9.559 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.602 -9.390 7.845 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -8.186 -7.855 8.454 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.409 -8.572 9.195 1.00 0.00 H new ATOM 471 N GLY A 31 -9.505 -7.571 10.682 1.00 0.00 N ATOM 472 CA GLY A 31 -9.870 -6.846 11.884 1.00 0.00 C ATOM 473 C GLY A 31 -8.882 -5.741 12.222 1.00 0.00 C ATOM 474 O GLY A 31 -9.148 -4.568 11.959 1.00 0.00 O ATOM 0 H GLY A 31 -9.229 -6.984 9.895 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.863 -6.414 11.756 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.930 -7.543 12.720 1.00 0.00 H new ATOM 478 N PRO A 32 -7.725 -6.090 12.811 1.00 0.00 N ATOM 479 CA PRO A 32 -6.699 -5.107 13.183 1.00 0.00 C ATOM 480 C PRO A 32 -6.036 -4.463 11.967 1.00 0.00 C ATOM 481 O PRO A 32 -5.373 -3.433 12.086 1.00 0.00 O ATOM 482 CB PRO A 32 -5.679 -5.934 13.970 1.00 0.00 C ATOM 483 CG PRO A 32 -5.863 -7.330 13.482 1.00 0.00 C ATOM 484 CD PRO A 32 -7.326 -7.465 13.163 1.00 0.00 C ATOM 0 HA PRO A 32 -7.123 -4.276 13.747 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.663 -5.583 13.791 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.856 -5.864 15.043 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.252 -7.519 12.600 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.560 -8.052 14.240 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.496 -8.157 12.338 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.891 -7.842 14.016 1.00 0.00 H new ATOM 492 N CYS A 33 -6.216 -5.076 10.800 1.00 0.00 N ATOM 493 CA CYS A 33 -5.634 -4.561 9.564 1.00 0.00 C ATOM 494 C CYS A 33 -6.001 -3.091 9.352 1.00 0.00 C ATOM 495 O CYS A 33 -5.276 -2.350 8.688 1.00 0.00 O ATOM 496 CB CYS A 33 -6.113 -5.388 8.372 1.00 0.00 C ATOM 497 SG CYS A 33 -7.893 -5.272 8.067 1.00 0.00 S ATOM 0 H CYS A 33 -6.761 -5.931 10.684 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.550 -4.637 9.646 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -5.579 -5.063 7.479 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.850 -6.433 8.538 1.00 0.00 H new ATOM 0 HG CYS A 33 -8.179 -5.856 6.941 1.00 0.00 H new ATOM 503 N LYS A 34 -7.137 -2.679 9.912 1.00 0.00 N ATOM 504 CA LYS A 34 -7.603 -1.300 9.778 1.00 0.00 C ATOM 505 C LYS A 34 -6.814 -0.352 10.676 1.00 0.00 C ATOM 506 O LYS A 34 -6.834 0.862 10.475 1.00 0.00 O ATOM 507 CB LYS A 34 -9.094 -1.209 10.101 1.00 0.00 C ATOM 508 CG LYS A 34 -9.975 -2.003 9.151 1.00 0.00 C ATOM 509 CD LYS A 34 -9.822 -1.521 7.718 1.00 0.00 C ATOM 510 CE LYS A 34 -10.715 -2.302 6.768 1.00 0.00 C ATOM 511 NZ LYS A 34 -12.155 -2.165 7.121 1.00 0.00 N ATOM 0 H LYS A 34 -7.751 -3.280 10.462 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.441 -0.996 8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.259 -1.565 11.118 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.399 -0.163 10.076 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.716 -3.060 9.210 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.017 -1.912 9.457 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.069 -0.461 7.662 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.782 -1.623 7.408 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.556 -1.950 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.435 -3.355 6.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.740 -2.505 6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.359 -2.729 7.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.373 -1.165 7.308 1.00 0.00 H new ATOM 525 N MET A 35 -6.110 -0.905 11.657 1.00 0.00 N ATOM 526 CA MET A 35 -5.306 -0.098 12.569 1.00 0.00 C ATOM 527 C MET A 35 -4.038 0.403 11.876 1.00 0.00 C ATOM 528 O MET A 35 -3.201 1.067 12.487 1.00 0.00 O ATOM 529 CB MET A 35 -4.939 -0.918 13.808 1.00 0.00 C ATOM 530 CG MET A 35 -4.168 -0.137 14.861 1.00 0.00 C ATOM 531 SD MET A 35 -3.848 -1.105 16.347 1.00 0.00 S ATOM 532 CE MET A 35 -5.518 -1.481 16.872 1.00 0.00 C ATOM 0 H MET A 35 -6.079 -1.908 11.842 1.00 0.00 H new ATOM 0 HA MET A 35 -5.895 0.767 12.874 1.00 0.00 H new ATOM 0 HB2 MET A 35 -5.853 -1.308 14.256 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.343 -1.777 13.499 1.00 0.00 H new ATOM 0 HG2 MET A 35 -3.220 0.197 14.439 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.731 0.757 15.129 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.515 -1.753 17.928 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.152 -0.606 16.724 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.905 -2.313 16.284 1.00 0.00 H new ATOM 542 N ILE A 36 -3.904 0.071 10.594 1.00 0.00 N ATOM 543 CA ILE A 36 -2.751 0.473 9.801 1.00 0.00 C ATOM 544 C ILE A 36 -2.917 1.884 9.241 1.00 0.00 C ATOM 545 O ILE A 36 -1.934 2.573 8.970 1.00 0.00 O ATOM 546 CB ILE A 36 -2.542 -0.506 8.636 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.474 -1.942 9.151 1.00 0.00 C ATOM 548 CG2 ILE A 36 -1.280 -0.155 7.872 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.415 -2.971 8.046 1.00 0.00 C ATOM 0 H ILE A 36 -4.590 -0.482 10.080 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.883 0.461 10.460 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.391 -0.424 7.957 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.596 -2.051 9.787 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.346 -2.139 9.775 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.145 -0.858 7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.365 0.857 7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.422 -0.211 8.542 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.368 -3.969 8.481 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.306 -2.888 7.423 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.528 -2.799 7.436 1.00 0.00 H new ATOM 561 N ALA A 37 -4.165 2.310 9.071 1.00 0.00 N ATOM 562 CA ALA A 37 -4.463 3.641 8.543 1.00 0.00 C ATOM 563 C ALA A 37 -3.617 4.730 9.206 1.00 0.00 C ATOM 564 O ALA A 37 -3.074 5.596 8.520 1.00 0.00 O ATOM 565 CB ALA A 37 -5.943 3.951 8.707 1.00 0.00 C ATOM 0 H ALA A 37 -4.990 1.752 9.291 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.209 3.635 7.483 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.153 4.944 8.310 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.532 3.212 8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.206 3.919 9.764 1.00 0.00 H new ATOM 571 N PRO A 38 -3.478 4.708 10.547 1.00 0.00 N ATOM 572 CA PRO A 38 -2.682 5.708 11.252 1.00 0.00 C ATOM 573 C PRO A 38 -1.196 5.491 11.015 1.00 0.00 C ATOM 574 O PRO A 38 -0.437 6.445 10.854 1.00 0.00 O ATOM 575 CB PRO A 38 -3.046 5.502 12.722 1.00 0.00 C ATOM 576 CG PRO A 38 -3.524 4.094 12.819 1.00 0.00 C ATOM 577 CD PRO A 38 -4.066 3.715 11.464 1.00 0.00 C ATOM 0 HA PRO A 38 -2.886 6.723 10.911 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.184 5.669 13.367 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.820 6.202 13.037 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.709 3.430 13.107 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.296 4.001 13.582 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.778 2.700 11.190 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.155 3.753 11.446 1.00 0.00 H new ATOM 585 N MET A 39 -0.792 4.226 10.963 1.00 0.00 N ATOM 586 CA MET A 39 0.582 3.881 10.711 1.00 0.00 C ATOM 587 C MET A 39 0.973 4.344 9.314 1.00 0.00 C ATOM 588 O MET A 39 1.923 5.102 9.144 1.00 0.00 O ATOM 589 CB MET A 39 0.749 2.373 10.844 1.00 0.00 C ATOM 590 CG MET A 39 0.547 1.860 12.249 1.00 0.00 C ATOM 591 SD MET A 39 0.750 0.073 12.378 1.00 0.00 S ATOM 592 CE MET A 39 2.442 -0.116 11.820 1.00 0.00 C ATOM 0 H MET A 39 -1.410 3.425 11.094 1.00 0.00 H new ATOM 0 HA MET A 39 1.232 4.374 11.434 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.039 1.878 10.181 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.748 2.096 10.506 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.257 2.350 12.915 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.452 2.133 12.590 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.840 -1.065 12.180 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.470 -0.101 10.730 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.047 0.703 12.209 1.00 0.00 H new ATOM 602 N ILE A 40 0.202 3.905 8.321 1.00 0.00 N ATOM 603 CA ILE A 40 0.434 4.288 6.930 1.00 0.00 C ATOM 604 C ILE A 40 0.660 5.796 6.815 1.00 0.00 C ATOM 605 O ILE A 40 1.339 6.267 5.902 1.00 0.00 O ATOM 606 CB ILE A 40 -0.765 3.879 6.040 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.918 2.359 6.021 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.598 4.412 4.623 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.080 1.872 5.180 1.00 0.00 C ATOM 0 H ILE A 40 -0.593 3.280 8.455 1.00 0.00 H new ATOM 0 HA ILE A 40 1.327 3.765 6.587 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.668 4.318 6.464 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.003 1.915 5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.047 2.003 7.043 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.453 4.111 4.018 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.536 5.500 4.648 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.315 4.007 4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.124 0.783 5.216 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.010 2.286 5.570 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.943 2.196 4.148 1.00 0.00 H new ATOM 621 N GLU A 41 0.081 6.544 7.749 1.00 0.00 N ATOM 622 CA GLU A 41 0.205 7.994 7.765 1.00 0.00 C ATOM 623 C GLU A 41 1.528 8.432 8.392 1.00 0.00 C ATOM 624 O GLU A 41 2.110 9.440 7.992 1.00 0.00 O ATOM 625 CB GLU A 41 -0.964 8.598 8.543 1.00 0.00 C ATOM 626 CG GLU A 41 -0.912 10.114 8.648 1.00 0.00 C ATOM 627 CD GLU A 41 -2.078 10.688 9.431 1.00 0.00 C ATOM 628 OE1 GLU A 41 -2.933 9.899 9.887 1.00 0.00 O ATOM 629 OE2 GLU A 41 -2.137 11.926 9.586 1.00 0.00 O ATOM 0 H GLU A 41 -0.483 6.164 8.510 1.00 0.00 H new ATOM 0 HA GLU A 41 0.187 8.351 6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.898 8.308 8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.978 8.174 9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.022 10.409 9.127 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.906 10.543 7.646 1.00 0.00 H new ATOM 636 N LYS A 42 1.993 7.675 9.381 1.00 0.00 N ATOM 637 CA LYS A 42 3.241 7.994 10.070 1.00 0.00 C ATOM 638 C LYS A 42 4.450 7.841 9.150 1.00 0.00 C ATOM 639 O LYS A 42 5.499 8.438 9.391 1.00 0.00 O ATOM 640 CB LYS A 42 3.412 7.101 11.301 1.00 0.00 C ATOM 641 CG LYS A 42 2.338 7.306 12.356 1.00 0.00 C ATOM 642 CD LYS A 42 2.549 6.390 13.551 1.00 0.00 C ATOM 643 CE LYS A 42 3.885 6.656 14.228 1.00 0.00 C ATOM 644 NZ LYS A 42 3.996 8.062 14.706 1.00 0.00 N ATOM 0 H LYS A 42 1.525 6.836 9.724 1.00 0.00 H new ATOM 0 HA LYS A 42 3.184 9.037 10.382 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.405 6.058 10.986 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.388 7.293 11.746 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.345 8.345 12.687 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.357 7.117 11.920 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.741 6.534 14.268 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.505 5.350 13.226 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.007 5.976 15.071 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.694 6.445 13.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.821 8.151 15.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.110 8.698 13.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.135 8.320 15.228 1.00 0.00 H new ATOM 658 N PHE A 43 4.306 7.041 8.097 1.00 0.00 N ATOM 659 CA PHE A 43 5.402 6.823 7.159 1.00 0.00 C ATOM 660 C PHE A 43 5.456 7.912 6.098 1.00 0.00 C ATOM 661 O PHE A 43 6.500 8.146 5.490 1.00 0.00 O ATOM 662 CB PHE A 43 5.282 5.450 6.497 1.00 0.00 C ATOM 663 CG PHE A 43 5.484 4.305 7.447 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.625 4.117 8.518 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.533 3.416 7.271 1.00 0.00 C ATOM 666 CE1 PHE A 43 4.809 3.065 9.395 1.00 0.00 C ATOM 667 CE2 PHE A 43 6.721 2.362 8.144 1.00 0.00 C ATOM 668 CZ PHE A 43 5.858 2.186 9.209 1.00 0.00 C ATOM 0 H PHE A 43 3.448 6.537 7.873 1.00 0.00 H new ATOM 0 HA PHE A 43 6.330 6.861 7.729 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.297 5.362 6.039 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.015 5.378 5.693 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.802 4.800 8.669 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.211 3.549 6.441 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.132 2.930 10.226 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.542 1.676 7.994 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.003 1.364 9.894 1.00 0.00 H new ATOM 678 N SER A 44 4.334 8.585 5.885 1.00 0.00 N ATOM 679 CA SER A 44 4.263 9.651 4.909 1.00 0.00 C ATOM 680 C SER A 44 5.085 10.857 5.355 1.00 0.00 C ATOM 681 O SER A 44 5.339 11.771 4.570 1.00 0.00 O ATOM 682 CB SER A 44 2.806 10.050 4.705 1.00 0.00 C ATOM 683 OG SER A 44 2.047 8.964 4.202 1.00 0.00 O ATOM 0 H SER A 44 3.460 8.407 6.380 1.00 0.00 H new ATOM 0 HA SER A 44 4.679 9.294 3.967 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.382 10.387 5.651 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.749 10.890 4.012 1.00 0.00 H new ATOM 0 HG SER A 44 2.602 8.430 3.596 1.00 0.00 H new ATOM 689 N GLU A 45 5.508 10.853 6.619 1.00 0.00 N ATOM 690 CA GLU A 45 6.309 11.944 7.159 1.00 0.00 C ATOM 691 C GLU A 45 7.794 11.684 6.926 1.00 0.00 C ATOM 692 O GLU A 45 8.600 12.615 6.891 1.00 0.00 O ATOM 693 CB GLU A 45 6.035 12.116 8.655 1.00 0.00 C ATOM 694 CG GLU A 45 6.827 13.246 9.293 1.00 0.00 C ATOM 695 CD GLU A 45 6.534 13.400 10.772 1.00 0.00 C ATOM 696 OE1 GLU A 45 5.361 13.648 11.123 1.00 0.00 O ATOM 697 OE2 GLU A 45 7.478 13.271 11.580 1.00 0.00 O ATOM 0 H GLU A 45 5.308 10.106 7.285 1.00 0.00 H new ATOM 0 HA GLU A 45 6.030 12.862 6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.971 12.301 8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.270 11.184 9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.892 13.061 9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.596 14.180 8.781 1.00 0.00 H new ATOM 704 N GLN A 46 8.148 10.411 6.765 1.00 0.00 N ATOM 705 CA GLN A 46 9.532 10.022 6.531 1.00 0.00 C ATOM 706 C GLN A 46 9.854 9.984 5.042 1.00 0.00 C ATOM 707 O GLN A 46 10.950 10.364 4.627 1.00 0.00 O ATOM 708 CB GLN A 46 9.807 8.657 7.158 1.00 0.00 C ATOM 709 CG GLN A 46 9.550 8.625 8.654 1.00 0.00 C ATOM 710 CD GLN A 46 9.812 7.262 9.263 1.00 0.00 C ATOM 711 OE1 GLN A 46 10.927 6.745 9.201 1.00 0.00 O ATOM 712 NE2 GLN A 46 8.780 6.673 9.857 1.00 0.00 N ATOM 0 H GLN A 46 7.491 9.631 6.793 1.00 0.00 H new ATOM 0 HA GLN A 46 10.173 10.770 6.997 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.182 7.908 6.672 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.844 8.379 6.968 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.183 9.365 9.143 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.516 8.912 8.847 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.873 7.139 9.884 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.894 5.755 10.286 1.00 0.00 H new ATOM 721 N TYR A 47 8.901 9.521 4.236 1.00 0.00 N ATOM 722 CA TYR A 47 9.103 9.439 2.793 1.00 0.00 C ATOM 723 C TYR A 47 8.024 10.203 2.029 1.00 0.00 C ATOM 724 O TYR A 47 7.495 9.709 1.033 1.00 0.00 O ATOM 725 CB TYR A 47 9.116 7.980 2.349 1.00 0.00 C ATOM 726 CG TYR A 47 10.121 7.130 3.088 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.485 7.285 2.878 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.703 6.175 4.005 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.405 6.507 3.557 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.615 5.393 4.690 1.00 0.00 C ATOM 731 CZ TYR A 47 11.964 5.563 4.462 1.00 0.00 C ATOM 732 OH TYR A 47 12.876 4.787 5.140 1.00 0.00 O ATOM 0 H TYR A 47 7.987 9.199 4.556 1.00 0.00 H new ATOM 0 HA TYR A 47 10.065 9.899 2.566 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.121 7.557 2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.331 7.936 1.281 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.833 8.025 2.173 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.647 6.040 4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.462 6.637 3.380 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.273 4.654 5.399 1.00 0.00 H new ATOM 0 HH TYR A 47 12.664 3.840 5.004 1.00 0.00 H new ATOM 742 N PRO A 48 7.676 11.423 2.485 1.00 0.00 N ATOM 743 CA PRO A 48 6.657 12.255 1.842 1.00 0.00 C ATOM 744 C PRO A 48 6.699 12.179 0.319 1.00 0.00 C ATOM 745 O PRO A 48 5.680 12.338 -0.353 1.00 0.00 O ATOM 746 CB PRO A 48 7.019 13.657 2.319 1.00 0.00 C ATOM 747 CG PRO A 48 7.615 13.456 3.673 1.00 0.00 C ATOM 748 CD PRO A 48 8.245 12.083 3.675 1.00 0.00 C ATOM 0 HA PRO A 48 5.647 11.938 2.101 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.727 14.135 1.642 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.139 14.299 2.365 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.360 14.223 3.885 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.851 13.531 4.447 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.332 12.143 3.616 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.005 11.536 4.587 1.00 0.00 H new ATOM 756 N GLN A 49 7.885 11.929 -0.214 1.00 0.00 N ATOM 757 CA GLN A 49 8.077 11.818 -1.657 1.00 0.00 C ATOM 758 C GLN A 49 7.174 10.736 -2.239 1.00 0.00 C ATOM 759 O GLN A 49 6.642 10.880 -3.339 1.00 0.00 O ATOM 760 CB GLN A 49 9.538 11.494 -1.983 1.00 0.00 C ATOM 761 CG GLN A 49 10.507 12.649 -1.765 1.00 0.00 C ATOM 762 CD GLN A 49 10.522 13.164 -0.337 1.00 0.00 C ATOM 763 OE1 GLN A 49 9.541 13.732 0.143 1.00 0.00 O ATOM 764 NE2 GLN A 49 11.640 12.966 0.349 1.00 0.00 N ATOM 0 H GLN A 49 8.736 11.798 0.333 1.00 0.00 H new ATOM 0 HA GLN A 49 7.816 12.777 -2.104 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.855 10.650 -1.370 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.602 11.174 -3.023 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.512 12.326 -2.037 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.242 13.467 -2.435 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.429 12.490 -0.088 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.710 13.289 1.314 1.00 0.00 H new ATOM 773 N ALA A 50 7.014 9.651 -1.489 1.00 0.00 N ATOM 774 CA ALA A 50 6.183 8.535 -1.921 1.00 0.00 C ATOM 775 C ALA A 50 4.740 8.714 -1.462 1.00 0.00 C ATOM 776 O ALA A 50 4.476 9.372 -0.455 1.00 0.00 O ATOM 777 CB ALA A 50 6.748 7.228 -1.387 1.00 0.00 C ATOM 0 H ALA A 50 7.451 9.521 -0.576 1.00 0.00 H new ATOM 0 HA ALA A 50 6.188 8.508 -3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.120 6.399 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.761 7.088 -1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.769 7.259 -0.298 1.00 0.00 H new ATOM 783 N ASP A 51 3.810 8.126 -2.207 1.00 0.00 N ATOM 784 CA ASP A 51 2.394 8.219 -1.876 1.00 0.00 C ATOM 785 C ASP A 51 1.934 6.979 -1.117 1.00 0.00 C ATOM 786 O ASP A 51 2.078 5.856 -1.597 1.00 0.00 O ATOM 787 CB ASP A 51 1.561 8.392 -3.147 1.00 0.00 C ATOM 788 CG ASP A 51 1.936 9.643 -3.918 1.00 0.00 C ATOM 789 OD1 ASP A 51 3.109 9.754 -4.333 1.00 0.00 O ATOM 790 OD2 ASP A 51 1.057 10.509 -4.108 1.00 0.00 O ATOM 0 H ASP A 51 4.012 7.580 -3.044 1.00 0.00 H new ATOM 0 HA ASP A 51 2.251 9.090 -1.237 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.695 7.520 -3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.504 8.434 -2.883 1.00 0.00 H new ATOM 795 N PHE A 52 1.382 7.190 0.073 1.00 0.00 N ATOM 796 CA PHE A 52 0.902 6.085 0.895 1.00 0.00 C ATOM 797 C PHE A 52 -0.613 5.943 0.794 1.00 0.00 C ATOM 798 O PHE A 52 -1.362 6.727 1.376 1.00 0.00 O ATOM 799 CB PHE A 52 1.317 6.284 2.353 1.00 0.00 C ATOM 800 CG PHE A 52 2.805 6.247 2.561 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.627 7.180 1.952 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.379 5.274 3.362 1.00 0.00 C ATOM 803 CE1 PHE A 52 4.996 7.143 2.138 1.00 0.00 C ATOM 804 CE2 PHE A 52 4.747 5.233 3.553 1.00 0.00 C ATOM 805 CZ PHE A 52 5.557 6.170 2.940 1.00 0.00 C ATOM 0 H PHE A 52 1.256 8.113 0.489 1.00 0.00 H new ATOM 0 HA PHE A 52 1.356 5.167 0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.932 7.241 2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.853 5.510 2.964 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.194 7.945 1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.750 4.539 3.843 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.627 7.875 1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.183 4.470 4.181 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.626 6.141 3.088 1.00 0.00 H new ATOM 815 N TYR A 53 -1.053 4.937 0.048 1.00 0.00 N ATOM 816 CA TYR A 53 -2.477 4.680 -0.141 1.00 0.00 C ATOM 817 C TYR A 53 -2.888 3.358 0.496 1.00 0.00 C ATOM 818 O TYR A 53 -2.068 2.662 1.096 1.00 0.00 O ATOM 819 CB TYR A 53 -2.818 4.664 -1.631 1.00 0.00 C ATOM 820 CG TYR A 53 -2.900 6.037 -2.256 1.00 0.00 C ATOM 821 CD1 TYR A 53 -3.948 6.896 -1.952 1.00 0.00 C ATOM 822 CD2 TYR A 53 -1.933 6.474 -3.153 1.00 0.00 C ATOM 823 CE1 TYR A 53 -4.034 8.149 -2.525 1.00 0.00 C ATOM 824 CE2 TYR A 53 -2.010 7.728 -3.729 1.00 0.00 C ATOM 825 CZ TYR A 53 -3.061 8.562 -3.412 1.00 0.00 C ATOM 826 OH TYR A 53 -3.142 9.808 -3.985 1.00 0.00 O ATOM 0 H TYR A 53 -0.441 4.282 -0.439 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.029 5.483 0.348 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.065 4.080 -2.160 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.772 4.155 -1.770 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.709 6.578 -1.255 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.108 5.824 -3.404 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.858 8.802 -2.280 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.250 8.053 -4.424 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.378 9.943 -4.584 1.00 0.00 H new ATOM 836 N LYS A 54 -4.164 3.019 0.358 1.00 0.00 N ATOM 837 CA LYS A 54 -4.695 1.781 0.912 1.00 0.00 C ATOM 838 C LYS A 54 -5.634 1.115 -0.090 1.00 0.00 C ATOM 839 O LYS A 54 -6.371 1.793 -0.808 1.00 0.00 O ATOM 840 CB LYS A 54 -5.438 2.061 2.220 1.00 0.00 C ATOM 841 CG LYS A 54 -4.680 2.977 3.168 1.00 0.00 C ATOM 842 CD LYS A 54 -5.613 3.687 4.141 1.00 0.00 C ATOM 843 CE LYS A 54 -6.401 2.707 4.993 1.00 0.00 C ATOM 844 NZ LYS A 54 -7.310 3.404 5.945 1.00 0.00 N ATOM 0 H LYS A 54 -4.852 3.587 -0.135 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.863 1.107 1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.404 2.510 1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.638 1.115 2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.948 2.395 3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.126 3.717 2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.031 4.343 4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.304 4.320 3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.985 2.052 4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.711 2.073 5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.634 2.733 6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.800 4.187 6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.131 3.780 5.429 1.00 0.00 H new ATOM 858 N LEU A 55 -5.599 -0.211 -0.143 1.00 0.00 N ATOM 859 CA LEU A 55 -6.445 -0.959 -1.067 1.00 0.00 C ATOM 860 C LEU A 55 -7.565 -1.674 -0.316 1.00 0.00 C ATOM 861 O LEU A 55 -7.346 -2.235 0.758 1.00 0.00 O ATOM 862 CB LEU A 55 -5.595 -1.966 -1.852 1.00 0.00 C ATOM 863 CG LEU A 55 -6.292 -2.628 -3.044 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.414 -3.543 -2.579 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.826 -1.574 -4.001 1.00 0.00 C ATOM 0 H LEU A 55 -4.996 -0.790 0.441 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.902 -0.260 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.701 -1.457 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.263 -2.747 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.557 -3.236 -3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.893 -4.001 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.005 -4.323 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.150 -2.963 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.318 -2.062 -4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.543 -0.939 -3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.001 -0.964 -4.368 1.00 0.00 H new ATOM 877 N ASP A 56 -8.768 -1.648 -0.887 1.00 0.00 N ATOM 878 CA ASP A 56 -9.921 -2.291 -0.266 1.00 0.00 C ATOM 879 C ASP A 56 -10.093 -3.716 -0.782 1.00 0.00 C ATOM 880 O ASP A 56 -10.399 -3.928 -1.956 1.00 0.00 O ATOM 881 CB ASP A 56 -11.195 -1.484 -0.538 1.00 0.00 C ATOM 882 CG ASP A 56 -12.336 -1.880 0.377 1.00 0.00 C ATOM 883 OD1 ASP A 56 -12.157 -1.812 1.611 1.00 0.00 O ATOM 884 OD2 ASP A 56 -13.412 -2.249 -0.137 1.00 0.00 O ATOM 0 H ASP A 56 -8.968 -1.190 -1.776 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.745 -2.329 0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.983 -0.422 -0.412 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.498 -1.627 -1.575 1.00 0.00 H new ATOM 889 N VAL A 57 -9.899 -4.691 0.102 1.00 0.00 N ATOM 890 CA VAL A 57 -10.039 -6.098 -0.265 1.00 0.00 C ATOM 891 C VAL A 57 -11.510 -6.485 -0.446 1.00 0.00 C ATOM 892 O VAL A 57 -11.818 -7.596 -0.879 1.00 0.00 O ATOM 893 CB VAL A 57 -9.363 -7.016 0.784 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.730 -8.481 0.562 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.852 -6.841 0.723 1.00 0.00 C ATOM 0 H VAL A 57 -9.645 -4.533 1.077 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.534 -6.237 -1.221 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.724 -6.727 1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.239 -9.097 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.810 -8.602 0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.403 -8.792 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.381 -7.488 1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.495 -7.106 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.597 -5.803 0.935 1.00 0.00 H new ATOM 905 N ASP A 58 -12.416 -5.562 -0.130 1.00 0.00 N ATOM 906 CA ASP A 58 -13.845 -5.814 -0.274 1.00 0.00 C ATOM 907 C ASP A 58 -14.362 -5.236 -1.585 1.00 0.00 C ATOM 908 O ASP A 58 -15.102 -5.890 -2.320 1.00 0.00 O ATOM 909 CB ASP A 58 -14.617 -5.192 0.890 1.00 0.00 C ATOM 910 CG ASP A 58 -16.099 -5.505 0.834 1.00 0.00 C ATOM 911 OD1 ASP A 58 -16.456 -6.701 0.868 1.00 0.00 O ATOM 912 OD2 ASP A 58 -16.904 -4.553 0.755 1.00 0.00 O ATOM 0 H ASP A 58 -12.185 -4.635 0.227 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.998 -6.893 -0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.207 -5.558 1.831 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.476 -4.111 0.879 1.00 0.00 H new ATOM 917 N GLU A 59 -13.971 -3.998 -1.862 1.00 0.00 N ATOM 918 CA GLU A 59 -14.396 -3.312 -3.072 1.00 0.00 C ATOM 919 C GLU A 59 -13.510 -3.688 -4.257 1.00 0.00 C ATOM 920 O GLU A 59 -13.974 -3.741 -5.396 1.00 0.00 O ATOM 921 CB GLU A 59 -14.365 -1.798 -2.853 1.00 0.00 C ATOM 922 CG GLU A 59 -14.950 -1.009 -4.011 1.00 0.00 C ATOM 923 CD GLU A 59 -16.442 -1.230 -4.174 1.00 0.00 C ATOM 924 OE1 GLU A 59 -17.020 -2.004 -3.381 1.00 0.00 O ATOM 925 OE2 GLU A 59 -17.032 -0.630 -5.097 1.00 0.00 O ATOM 0 H GLU A 59 -13.357 -3.448 -1.261 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.416 -3.622 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.917 -1.558 -1.944 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.334 -1.483 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.759 0.053 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.442 -1.293 -4.933 1.00 0.00 H new ATOM 932 N LEU A 60 -12.236 -3.949 -3.982 1.00 0.00 N ATOM 933 CA LEU A 60 -11.290 -4.321 -5.030 1.00 0.00 C ATOM 934 C LEU A 60 -10.704 -5.706 -4.769 1.00 0.00 C ATOM 935 O LEU A 60 -9.490 -5.863 -4.626 1.00 0.00 O ATOM 936 CB LEU A 60 -10.161 -3.291 -5.130 1.00 0.00 C ATOM 937 CG LEU A 60 -10.602 -1.870 -5.488 1.00 0.00 C ATOM 938 CD1 LEU A 60 -11.477 -1.291 -4.389 1.00 0.00 C ATOM 939 CD2 LEU A 60 -9.391 -0.982 -5.731 1.00 0.00 C ATOM 0 H LEU A 60 -11.835 -3.910 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.833 -4.344 -5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.634 -3.261 -4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.446 -3.631 -5.879 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.187 -1.912 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.781 -0.280 -4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.362 -1.915 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.916 -1.262 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.723 0.025 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.779 -0.946 -4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.802 -1.387 -6.553 1.00 0.00 H new ATOM 951 N GLY A 61 -11.573 -6.708 -4.712 1.00 0.00 N ATOM 952 CA GLY A 61 -11.121 -8.065 -4.474 1.00 0.00 C ATOM 953 C GLY A 61 -10.383 -8.654 -5.663 1.00 0.00 C ATOM 954 O GLY A 61 -9.811 -9.740 -5.569 1.00 0.00 O ATOM 0 H GLY A 61 -12.581 -6.605 -4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.466 -8.078 -3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.980 -8.693 -4.237 1.00 0.00 H new ATOM 958 N ASP A 62 -10.396 -7.940 -6.786 1.00 0.00 N ATOM 959 CA ASP A 62 -9.727 -8.402 -7.995 1.00 0.00 C ATOM 960 C ASP A 62 -8.244 -8.047 -7.982 1.00 0.00 C ATOM 961 O ASP A 62 -7.428 -8.738 -8.590 1.00 0.00 O ATOM 962 CB ASP A 62 -10.391 -7.805 -9.224 1.00 0.00 C ATOM 963 CG ASP A 62 -11.855 -8.184 -9.341 1.00 0.00 C ATOM 964 OD1 ASP A 62 -12.353 -8.916 -8.459 1.00 0.00 O ATOM 965 OD2 ASP A 62 -12.505 -7.752 -10.317 1.00 0.00 O ATOM 0 H ASP A 62 -10.864 -7.039 -6.882 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.815 -9.488 -8.029 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.303 -6.719 -9.188 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.861 -8.139 -10.116 1.00 0.00 H new ATOM 970 N VAL A 63 -7.898 -6.964 -7.291 1.00 0.00 N ATOM 971 CA VAL A 63 -6.508 -6.528 -7.213 1.00 0.00 C ATOM 972 C VAL A 63 -5.733 -7.384 -6.213 1.00 0.00 C ATOM 973 O VAL A 63 -4.630 -7.847 -6.500 1.00 0.00 O ATOM 974 CB VAL A 63 -6.395 -5.037 -6.825 1.00 0.00 C ATOM 975 CG1 VAL A 63 -4.983 -4.527 -7.068 1.00 0.00 C ATOM 976 CG2 VAL A 63 -7.408 -4.197 -7.592 1.00 0.00 C ATOM 0 H VAL A 63 -8.557 -6.376 -6.780 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.075 -6.651 -8.205 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.616 -4.946 -5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.923 -3.475 -6.789 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.280 -5.103 -6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.733 -4.637 -8.123 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.308 -3.151 -7.301 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.226 -4.295 -8.662 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.416 -4.543 -7.362 1.00 0.00 H new ATOM 986 N ALA A 64 -6.324 -7.624 -5.046 1.00 0.00 N ATOM 987 CA ALA A 64 -5.687 -8.462 -4.031 1.00 0.00 C ATOM 988 C ALA A 64 -5.364 -9.832 -4.624 1.00 0.00 C ATOM 989 O ALA A 64 -4.459 -10.525 -4.162 1.00 0.00 O ATOM 990 CB ALA A 64 -6.597 -8.610 -2.821 1.00 0.00 C ATOM 0 H ALA A 64 -7.236 -7.254 -4.779 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.760 -7.987 -3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.110 -9.236 -2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.799 -7.627 -2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.536 -9.073 -3.126 1.00 0.00 H new ATOM 996 N GLN A 65 -6.118 -10.208 -5.659 1.00 0.00 N ATOM 997 CA GLN A 65 -5.924 -11.484 -6.332 1.00 0.00 C ATOM 998 C GLN A 65 -4.936 -11.356 -7.490 1.00 0.00 C ATOM 999 O GLN A 65 -4.108 -12.242 -7.707 1.00 0.00 O ATOM 1000 CB GLN A 65 -7.263 -12.018 -6.847 1.00 0.00 C ATOM 1001 CG GLN A 65 -7.150 -13.357 -7.562 1.00 0.00 C ATOM 1002 CD GLN A 65 -8.488 -13.864 -8.064 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -9.148 -13.211 -8.873 1.00 0.00 O ATOM 1004 NE2 GLN A 65 -8.894 -15.035 -7.587 1.00 0.00 N ATOM 0 H GLN A 65 -6.871 -9.640 -6.047 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.510 -12.185 -5.607 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.951 -12.121 -6.008 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.698 -11.287 -7.528 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.464 -13.259 -8.403 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.718 -14.092 -6.883 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.314 -15.542 -6.918 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.785 -15.428 -7.890 1.00 0.00 H new ATOM 1013 N LYS A 66 -5.028 -10.256 -8.241 1.00 0.00 N ATOM 1014 CA LYS A 66 -4.135 -10.039 -9.378 1.00 0.00 C ATOM 1015 C LYS A 66 -2.678 -10.062 -8.924 1.00 0.00 C ATOM 1016 O LYS A 66 -1.844 -10.753 -9.510 1.00 0.00 O ATOM 1017 CB LYS A 66 -4.455 -8.715 -10.089 1.00 0.00 C ATOM 1018 CG LYS A 66 -3.920 -7.477 -9.383 1.00 0.00 C ATOM 1019 CD LYS A 66 -4.338 -6.190 -10.084 1.00 0.00 C ATOM 1020 CE LYS A 66 -3.723 -6.062 -11.471 1.00 0.00 C ATOM 1021 NZ LYS A 66 -4.332 -7.002 -12.453 1.00 0.00 N ATOM 0 H LYS A 66 -5.705 -9.510 -8.084 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.292 -10.850 -10.089 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.043 -8.750 -11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.536 -8.622 -10.189 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.281 -7.463 -8.355 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.832 -7.528 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.424 -6.160 -10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.041 -5.335 -9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.847 -5.039 -11.827 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.651 -6.251 -11.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.674 -7.786 -12.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.221 -7.379 -12.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.526 -6.498 -13.342 1.00 0.00 H new ATOM 1035 N ASN A 67 -2.383 -9.312 -7.867 1.00 0.00 N ATOM 1036 CA ASN A 67 -1.043 -9.248 -7.319 1.00 0.00 C ATOM 1037 C ASN A 67 -0.738 -10.485 -6.474 1.00 0.00 C ATOM 1038 O ASN A 67 0.377 -10.648 -5.980 1.00 0.00 O ATOM 1039 CB ASN A 67 -0.904 -7.988 -6.475 1.00 0.00 C ATOM 1040 CG ASN A 67 -1.028 -6.722 -7.300 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -0.246 -6.490 -8.221 1.00 0.00 O ATOM 1042 ND2 ASN A 67 -2.013 -5.894 -6.972 1.00 0.00 N ATOM 0 H ASN A 67 -3.065 -8.737 -7.373 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.328 -9.219 -8.141 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.669 -7.988 -5.698 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.062 -7.997 -5.971 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.144 -5.026 -7.491 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.639 -6.126 -6.201 1.00 0.00 H new ATOM 1049 N GLU A 68 -1.737 -11.353 -6.313 1.00 0.00 N ATOM 1050 CA GLU A 68 -1.584 -12.575 -5.533 1.00 0.00 C ATOM 1051 C GLU A 68 -1.369 -12.264 -4.057 1.00 0.00 C ATOM 1052 O GLU A 68 -0.560 -12.907 -3.389 1.00 0.00 O ATOM 1053 CB GLU A 68 -0.416 -13.408 -6.069 1.00 0.00 C ATOM 1054 CG GLU A 68 -0.571 -13.797 -7.530 1.00 0.00 C ATOM 1055 CD GLU A 68 0.602 -14.611 -8.045 1.00 0.00 C ATOM 1056 OE1 GLU A 68 1.537 -14.872 -7.259 1.00 0.00 O ATOM 1057 OE2 GLU A 68 0.585 -14.985 -9.236 1.00 0.00 O ATOM 0 H GLU A 68 -2.665 -11.228 -6.716 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.505 -13.150 -5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.509 -12.844 -5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.319 -14.312 -5.468 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.489 -14.371 -7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.675 -12.895 -8.133 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.101 -11.276 -3.543 1.00 0.00 N ATOM 1065 CA VAL A 69 -1.981 -10.899 -2.143 1.00 0.00 C ATOM 1066 C VAL A 69 -2.841 -11.803 -1.260 1.00 0.00 C ATOM 1067 O VAL A 69 -2.332 -12.714 -0.607 1.00 0.00 O ATOM 1068 CB VAL A 69 -2.387 -9.428 -1.927 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -2.216 -9.031 -0.471 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -1.574 -8.516 -2.833 1.00 0.00 C ATOM 0 H VAL A 69 -2.778 -10.728 -4.074 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.935 -11.019 -1.861 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.441 -9.320 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.508 -7.989 -0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.844 -9.665 0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.173 -9.154 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.872 -7.480 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.514 -8.629 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.753 -8.784 -3.874 1.00 0.00 H new ATOM 1080 N SER A 70 -4.147 -11.550 -1.250 1.00 0.00 N ATOM 1081 CA SER A 70 -5.085 -12.341 -0.455 1.00 0.00 C ATOM 1082 C SER A 70 -4.595 -12.526 0.981 1.00 0.00 C ATOM 1083 O SER A 70 -4.967 -13.489 1.650 1.00 0.00 O ATOM 1084 CB SER A 70 -5.312 -13.705 -1.105 1.00 0.00 C ATOM 1085 OG SER A 70 -4.109 -14.451 -1.159 1.00 0.00 O ATOM 0 H SER A 70 -4.583 -10.800 -1.786 1.00 0.00 H new ATOM 0 HA SER A 70 -6.027 -11.794 -0.421 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.062 -14.259 -0.541 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.705 -13.570 -2.113 1.00 0.00 H new ATOM 0 HG SER A 70 -3.431 -14.019 -0.599 1.00 0.00 H new ATOM 1091 N ALA A 71 -3.769 -11.598 1.453 1.00 0.00 N ATOM 1092 CA ALA A 71 -3.247 -11.664 2.812 1.00 0.00 C ATOM 1093 C ALA A 71 -4.052 -10.750 3.730 1.00 0.00 C ATOM 1094 O ALA A 71 -5.186 -10.393 3.409 1.00 0.00 O ATOM 1095 CB ALA A 71 -1.771 -11.298 2.834 1.00 0.00 C ATOM 0 H ALA A 71 -3.448 -10.793 0.915 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.345 -12.686 3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.398 -11.353 3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.214 -11.994 2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.642 -10.285 2.454 1.00 0.00 H new ATOM 1101 N MET A 72 -3.483 -10.372 4.874 1.00 0.00 N ATOM 1102 CA MET A 72 -4.198 -9.506 5.800 1.00 0.00 C ATOM 1103 C MET A 72 -3.329 -9.035 6.969 1.00 0.00 C ATOM 1104 O MET A 72 -3.271 -9.686 8.009 1.00 0.00 O ATOM 1105 CB MET A 72 -5.439 -10.224 6.335 1.00 0.00 C ATOM 1106 CG MET A 72 -5.145 -11.507 7.097 1.00 0.00 C ATOM 1107 SD MET A 72 -4.564 -12.847 6.038 1.00 0.00 S ATOM 1108 CE MET A 72 -4.330 -14.152 7.243 1.00 0.00 C ATOM 0 H MET A 72 -2.548 -10.647 5.175 1.00 0.00 H new ATOM 0 HA MET A 72 -4.489 -8.618 5.240 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.983 -9.544 6.990 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.098 -10.456 5.498 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.394 -11.304 7.860 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.048 -11.828 7.616 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.971 -15.051 6.741 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.598 -13.834 7.986 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.278 -14.366 7.736 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.640 -7.884 6.827 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.653 -7.049 5.623 1.00 0.00 C ATOM 1120 C PRO A 73 -1.527 -7.407 4.653 1.00 0.00 C ATOM 1121 O PRO A 73 -0.959 -8.494 4.728 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.417 -5.671 6.217 1.00 0.00 C ATOM 1123 CG PRO A 73 -1.434 -5.930 7.302 1.00 0.00 C ATOM 1124 CD PRO A 73 -1.771 -7.294 7.860 1.00 0.00 C ATOM 0 HA PRO A 73 -3.566 -7.154 5.037 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.024 -4.975 5.476 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.339 -5.237 6.604 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.415 -5.908 6.917 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.499 -5.166 8.076 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.875 -7.894 8.021 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.282 -7.220 8.820 1.00 0.00 H new ATOM 1132 N THR A 74 -1.203 -6.479 3.752 1.00 0.00 N ATOM 1133 CA THR A 74 -0.138 -6.694 2.774 1.00 0.00 C ATOM 1134 C THR A 74 0.422 -5.364 2.280 1.00 0.00 C ATOM 1135 O THR A 74 -0.260 -4.344 2.317 1.00 0.00 O ATOM 1136 CB THR A 74 -0.654 -7.500 1.584 1.00 0.00 C ATOM 1137 OG1 THR A 74 -1.109 -8.776 2.003 1.00 0.00 O ATOM 1138 CG2 THR A 74 0.387 -7.702 0.497 1.00 0.00 C ATOM 0 H THR A 74 -1.663 -5.572 3.680 1.00 0.00 H new ATOM 0 HA THR A 74 0.657 -7.253 3.268 1.00 0.00 H new ATOM 0 HB THR A 74 -1.471 -6.912 1.166 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.083 -8.757 2.112 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.046 -8.282 -0.318 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.712 -6.732 0.120 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.243 -8.237 0.908 1.00 0.00 H new ATOM 1146 N LEU A 75 1.665 -5.383 1.811 1.00 0.00 N ATOM 1147 CA LEU A 75 2.305 -4.174 1.305 1.00 0.00 C ATOM 1148 C LEU A 75 2.712 -4.333 -0.155 1.00 0.00 C ATOM 1149 O LEU A 75 3.490 -5.222 -0.502 1.00 0.00 O ATOM 1150 CB LEU A 75 3.536 -3.833 2.145 1.00 0.00 C ATOM 1151 CG LEU A 75 3.263 -3.552 3.623 1.00 0.00 C ATOM 1152 CD1 LEU A 75 4.545 -3.141 4.321 1.00 0.00 C ATOM 1153 CD2 LEU A 75 2.197 -2.478 3.775 1.00 0.00 C ATOM 0 H LEU A 75 2.248 -6.219 1.771 1.00 0.00 H new ATOM 0 HA LEU A 75 1.581 -3.362 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.244 -4.659 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.021 -2.959 1.710 1.00 0.00 H new ATOM 0 HG LEU A 75 2.892 -4.464 4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.339 -2.943 5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.277 -3.944 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.941 -2.240 3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.016 -2.292 4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.536 -1.559 3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.273 -2.813 3.303 1.00 0.00 H new ATOM 1165 N LEU A 76 2.189 -3.458 -1.009 1.00 0.00 N ATOM 1166 CA LEU A 76 2.505 -3.491 -2.433 1.00 0.00 C ATOM 1167 C LEU A 76 3.174 -2.191 -2.872 1.00 0.00 C ATOM 1168 O LEU A 76 2.671 -1.099 -2.603 1.00 0.00 O ATOM 1169 CB LEU A 76 1.237 -3.746 -3.258 1.00 0.00 C ATOM 1170 CG LEU A 76 0.633 -5.146 -3.102 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.423 -5.397 -4.166 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.717 -6.215 -3.165 1.00 0.00 C ATOM 0 H LEU A 76 1.543 -2.716 -0.739 1.00 0.00 H new ATOM 0 HA LEU A 76 3.204 -4.309 -2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.485 -3.009 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.467 -3.581 -4.311 1.00 0.00 H new ATOM 0 HG LEU A 76 0.156 -5.200 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.839 -6.396 -4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.218 -4.658 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.030 -5.317 -5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.264 -7.200 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.228 -6.159 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.436 -6.052 -2.362 1.00 0.00 H new ATOM 1184 N LEU A 77 4.317 -2.316 -3.543 1.00 0.00 N ATOM 1185 CA LEU A 77 5.064 -1.153 -4.015 1.00 0.00 C ATOM 1186 C LEU A 77 4.991 -1.045 -5.536 1.00 0.00 C ATOM 1187 O LEU A 77 5.075 -2.050 -6.243 1.00 0.00 O ATOM 1188 CB LEU A 77 6.523 -1.239 -3.562 1.00 0.00 C ATOM 1189 CG LEU A 77 6.740 -1.199 -2.047 1.00 0.00 C ATOM 1190 CD1 LEU A 77 6.083 -2.397 -1.377 1.00 0.00 C ATOM 1191 CD2 LEU A 77 8.226 -1.155 -1.725 1.00 0.00 C ATOM 0 H LEU A 77 4.746 -3.212 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 77 4.613 -0.259 -3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.953 -2.162 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.076 -0.415 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 77 6.274 -0.294 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.250 -2.349 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.012 -2.385 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.516 -3.317 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.363 -1.127 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.712 -2.043 -2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.669 -0.264 -2.170 1.00 0.00 H new ATOM 1203 N PHE A 78 4.812 0.181 -6.029 1.00 0.00 N ATOM 1204 CA PHE A 78 4.699 0.425 -7.466 1.00 0.00 C ATOM 1205 C PHE A 78 5.493 1.663 -7.890 1.00 0.00 C ATOM 1206 O PHE A 78 5.310 2.744 -7.331 1.00 0.00 O ATOM 1207 CB PHE A 78 3.223 0.618 -7.819 1.00 0.00 C ATOM 1208 CG PHE A 78 2.355 -0.523 -7.375 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.234 -1.667 -8.147 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.675 -0.462 -6.169 1.00 0.00 C ATOM 1211 CE1 PHE A 78 1.452 -2.724 -7.727 1.00 0.00 C ATOM 1212 CE2 PHE A 78 0.890 -1.517 -5.745 1.00 0.00 C ATOM 1213 CZ PHE A 78 0.780 -2.649 -6.526 1.00 0.00 C ATOM 0 H PHE A 78 4.742 1.020 -5.454 1.00 0.00 H new ATOM 0 HA PHE A 78 5.111 -0.433 -7.997 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.864 1.539 -7.360 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.127 0.741 -8.898 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.758 -1.733 -9.089 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.760 0.421 -5.553 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.367 -3.610 -8.339 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.364 -1.456 -4.804 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.168 -3.476 -6.197 1.00 0.00 H new ATOM 1223 N LYS A 79 6.366 1.506 -8.887 1.00 0.00 N ATOM 1224 CA LYS A 79 7.166 2.631 -9.380 1.00 0.00 C ATOM 1225 C LYS A 79 6.718 3.060 -10.779 1.00 0.00 C ATOM 1226 O LYS A 79 6.617 2.236 -11.687 1.00 0.00 O ATOM 1227 CB LYS A 79 8.654 2.268 -9.411 1.00 0.00 C ATOM 1228 CG LYS A 79 9.356 2.395 -8.066 1.00 0.00 C ATOM 1229 CD LYS A 79 10.823 2.012 -8.176 1.00 0.00 C ATOM 1230 CE LYS A 79 11.541 2.171 -6.848 1.00 0.00 C ATOM 1231 NZ LYS A 79 11.471 3.570 -6.340 1.00 0.00 N ATOM 0 H LYS A 79 6.537 0.621 -9.365 1.00 0.00 H new ATOM 0 HA LYS A 79 7.013 3.463 -8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.759 1.243 -9.768 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.158 2.910 -10.133 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.271 3.419 -7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.864 1.755 -7.334 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.906 0.979 -8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.307 2.634 -8.929 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.100 1.496 -6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.585 1.879 -6.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.409 3.863 -5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.169 4.203 -7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.787 3.622 -5.559 1.00 0.00 H new ATOM 1245 N ASN A 80 6.459 4.360 -10.948 1.00 0.00 N ATOM 1246 CA ASN A 80 6.030 4.901 -12.241 1.00 0.00 C ATOM 1247 C ASN A 80 4.964 4.030 -12.907 1.00 0.00 C ATOM 1248 O ASN A 80 5.141 3.564 -14.031 1.00 0.00 O ATOM 1249 CB ASN A 80 7.234 5.055 -13.174 1.00 0.00 C ATOM 1250 CG ASN A 80 8.243 6.059 -12.657 1.00 0.00 C ATOM 1251 OD1 ASN A 80 8.807 5.892 -11.576 1.00 0.00 O ATOM 1252 ND2 ASN A 80 8.477 7.114 -13.430 1.00 0.00 N ATOM 0 H ASN A 80 6.539 5.056 -10.207 1.00 0.00 H new ATOM 0 HA ASN A 80 5.585 5.878 -12.051 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.720 4.087 -13.298 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.888 5.367 -14.160 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.146 7.824 -13.134 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.987 7.213 -14.319 1.00 0.00 H new ATOM 1259 N GLY A 81 3.852 3.831 -12.210 1.00 0.00 N ATOM 1260 CA GLY A 81 2.763 3.034 -12.744 1.00 0.00 C ATOM 1261 C GLY A 81 3.151 1.593 -13.021 1.00 0.00 C ATOM 1262 O GLY A 81 2.415 0.866 -13.688 1.00 0.00 O ATOM 0 H GLY A 81 3.684 4.210 -11.278 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.931 3.050 -12.039 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.407 3.491 -13.667 1.00 0.00 H new ATOM 1266 N LYS A 82 4.298 1.175 -12.500 1.00 0.00 N ATOM 1267 CA LYS A 82 4.769 -0.190 -12.689 1.00 0.00 C ATOM 1268 C LYS A 82 4.729 -0.937 -11.362 1.00 0.00 C ATOM 1269 O LYS A 82 3.985 -0.569 -10.458 1.00 0.00 O ATOM 1270 CB LYS A 82 6.190 -0.187 -13.268 1.00 0.00 C ATOM 1271 CG LYS A 82 6.317 0.597 -14.564 1.00 0.00 C ATOM 1272 CD LYS A 82 5.390 0.054 -15.638 1.00 0.00 C ATOM 1273 CE LYS A 82 5.699 -1.400 -15.960 1.00 0.00 C ATOM 1274 NZ LYS A 82 4.793 -1.941 -17.011 1.00 0.00 N ATOM 0 H LYS A 82 4.919 1.762 -11.943 1.00 0.00 H new ATOM 0 HA LYS A 82 4.115 -0.699 -13.397 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.873 0.234 -12.530 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.504 -1.216 -13.443 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.086 1.646 -14.380 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.348 0.555 -14.916 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.356 0.142 -15.305 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.487 0.656 -16.542 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.733 -1.486 -16.293 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.604 -2.000 -15.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.036 -2.934 -17.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.808 -1.883 -16.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.902 -1.385 -17.883 1.00 0.00 H new ATOM 1288 N GLU A 83 5.534 -1.979 -11.251 1.00 0.00 N ATOM 1289 CA GLU A 83 5.592 -2.771 -10.032 1.00 0.00 C ATOM 1290 C GLU A 83 6.919 -2.502 -9.329 1.00 0.00 C ATOM 1291 O GLU A 83 7.770 -1.786 -9.861 1.00 0.00 O ATOM 1292 CB GLU A 83 5.455 -4.261 -10.376 1.00 0.00 C ATOM 1293 CG GLU A 83 4.977 -5.138 -9.225 1.00 0.00 C ATOM 1294 CD GLU A 83 3.606 -4.748 -8.724 1.00 0.00 C ATOM 1295 OE1 GLU A 83 2.654 -4.771 -9.529 1.00 0.00 O ATOM 1296 OE2 GLU A 83 3.485 -4.428 -7.523 1.00 0.00 O ATOM 0 H GLU A 83 6.159 -2.298 -11.992 1.00 0.00 H new ATOM 0 HA GLU A 83 4.773 -2.495 -9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.759 -4.365 -11.208 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.421 -4.631 -10.720 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.958 -6.178 -9.550 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.691 -5.074 -8.404 1.00 0.00 H new ATOM 1303 N VAL A 84 7.091 -3.046 -8.132 1.00 0.00 N ATOM 1304 CA VAL A 84 8.318 -2.842 -7.377 1.00 0.00 C ATOM 1305 C VAL A 84 8.666 -4.068 -6.545 1.00 0.00 C ATOM 1306 O VAL A 84 9.711 -4.689 -6.745 1.00 0.00 O ATOM 1307 CB VAL A 84 8.214 -1.628 -6.464 1.00 0.00 C ATOM 1308 CG1 VAL A 84 9.519 -1.395 -5.713 1.00 0.00 C ATOM 1309 CG2 VAL A 84 7.813 -0.397 -7.254 1.00 0.00 C ATOM 0 H VAL A 84 6.398 -3.630 -7.664 1.00 0.00 H new ATOM 0 HA VAL A 84 9.111 -2.670 -8.105 1.00 0.00 H new ATOM 0 HB VAL A 84 7.437 -1.825 -5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.417 -0.522 -5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.750 -2.270 -5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.325 -1.226 -6.427 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.744 0.459 -6.583 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.561 -0.198 -8.021 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.845 -0.567 -7.726 1.00 0.00 H new ATOM 1319 N ALA A 85 7.788 -4.411 -5.611 1.00 0.00 N ATOM 1320 CA ALA A 85 8.012 -5.564 -4.749 1.00 0.00 C ATOM 1321 C ALA A 85 6.769 -5.896 -3.932 1.00 0.00 C ATOM 1322 O ALA A 85 5.894 -5.052 -3.740 1.00 0.00 O ATOM 1323 CB ALA A 85 9.197 -5.312 -3.831 1.00 0.00 C ATOM 0 H ALA A 85 6.918 -3.910 -5.432 1.00 0.00 H new ATOM 0 HA ALA A 85 8.232 -6.421 -5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.354 -6.181 -3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.090 -5.136 -4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.998 -4.438 -3.212 1.00 0.00 H new ATOM 1329 N LYS A 86 6.703 -7.134 -3.454 1.00 0.00 N ATOM 1330 CA LYS A 86 5.575 -7.587 -2.653 1.00 0.00 C ATOM 1331 C LYS A 86 6.049 -8.086 -1.292 1.00 0.00 C ATOM 1332 O LYS A 86 6.779 -9.072 -1.198 1.00 0.00 O ATOM 1333 CB LYS A 86 4.815 -8.695 -3.386 1.00 0.00 C ATOM 1334 CG LYS A 86 5.674 -9.905 -3.724 1.00 0.00 C ATOM 1335 CD LYS A 86 4.889 -10.946 -4.507 1.00 0.00 C ATOM 1336 CE LYS A 86 4.398 -10.395 -5.836 1.00 0.00 C ATOM 1337 NZ LYS A 86 3.655 -11.418 -6.624 1.00 0.00 N ATOM 0 H LYS A 86 7.420 -7.842 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 86 4.903 -6.743 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.976 -9.017 -2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.397 -8.289 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.539 -9.587 -4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.054 -10.350 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.518 -11.819 -4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.038 -11.281 -3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.751 -9.536 -5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.248 -10.037 -6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.338 -11.001 -7.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.279 -12.227 -6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.829 -11.741 -6.082 1.00 0.00 H new ATOM 1351 N VAL A 87 5.635 -7.393 -0.236 1.00 0.00 N ATOM 1352 CA VAL A 87 6.024 -7.764 1.118 1.00 0.00 C ATOM 1353 C VAL A 87 4.822 -7.758 2.057 1.00 0.00 C ATOM 1354 O VAL A 87 4.607 -6.800 2.799 1.00 0.00 O ATOM 1355 CB VAL A 87 7.103 -6.813 1.672 1.00 0.00 C ATOM 1356 CG1 VAL A 87 7.546 -7.248 3.060 1.00 0.00 C ATOM 1357 CG2 VAL A 87 8.291 -6.746 0.723 1.00 0.00 C ATOM 0 H VAL A 87 5.031 -6.573 -0.293 1.00 0.00 H new ATOM 0 HA VAL A 87 6.433 -8.773 1.065 1.00 0.00 H new ATOM 0 HB VAL A 87 6.671 -5.815 1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.308 -6.562 3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.690 -7.238 3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.958 -8.256 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.044 -6.070 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.721 -7.741 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.960 -6.379 -0.249 1.00 0.00 H new ATOM 1367 N VAL A 88 4.045 -8.835 2.022 1.00 0.00 N ATOM 1368 CA VAL A 88 2.869 -8.957 2.874 1.00 0.00 C ATOM 1369 C VAL A 88 3.244 -8.818 4.349 1.00 0.00 C ATOM 1370 O VAL A 88 3.639 -9.791 4.993 1.00 0.00 O ATOM 1371 CB VAL A 88 2.145 -10.302 2.640 1.00 0.00 C ATOM 1372 CG1 VAL A 88 3.132 -11.457 2.706 1.00 0.00 C ATOM 1373 CG2 VAL A 88 1.022 -10.502 3.649 1.00 0.00 C ATOM 0 H VAL A 88 4.209 -9.636 1.412 1.00 0.00 H new ATOM 0 HA VAL A 88 2.190 -8.147 2.607 1.00 0.00 H new ATOM 0 HB VAL A 88 1.703 -10.278 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.605 -12.396 2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.895 -11.328 1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.605 -11.476 3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.530 -11.456 3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.435 -10.499 4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.297 -9.694 3.551 1.00 0.00 H new ATOM 1383 N GLY A 89 3.115 -7.603 4.874 1.00 0.00 N ATOM 1384 CA GLY A 89 3.441 -7.357 6.267 1.00 0.00 C ATOM 1385 C GLY A 89 4.207 -6.063 6.467 1.00 0.00 C ATOM 1386 O GLY A 89 5.344 -5.931 6.013 1.00 0.00 O ATOM 0 H GLY A 89 2.790 -6.784 4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.521 -7.325 6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.033 -8.188 6.650 1.00 0.00 H new ATOM 1390 N ALA A 90 3.585 -5.107 7.152 1.00 0.00 N ATOM 1391 CA ALA A 90 4.219 -3.820 7.417 1.00 0.00 C ATOM 1392 C ALA A 90 4.814 -3.786 8.816 1.00 0.00 C ATOM 1393 O ALA A 90 4.840 -2.744 9.468 1.00 0.00 O ATOM 1394 CB ALA A 90 3.219 -2.687 7.235 1.00 0.00 C ATOM 0 H ALA A 90 2.643 -5.200 7.533 1.00 0.00 H new ATOM 0 HA ALA A 90 5.030 -3.686 6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.708 -1.734 7.437 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.844 -2.693 6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.387 -2.821 7.927 1.00 0.00 H new ATOM 1400 N ASN A 91 5.301 -4.936 9.262 1.00 0.00 N ATOM 1401 CA ASN A 91 5.914 -5.057 10.578 1.00 0.00 C ATOM 1402 C ASN A 91 7.148 -4.164 10.662 1.00 0.00 C ATOM 1403 O ASN A 91 8.164 -4.458 10.036 1.00 0.00 O ATOM 1404 CB ASN A 91 6.301 -6.520 10.834 1.00 0.00 C ATOM 1405 CG ASN A 91 6.909 -6.776 12.209 1.00 0.00 C ATOM 1406 OD1 ASN A 91 7.391 -7.875 12.480 1.00 0.00 O ATOM 1407 ND2 ASN A 91 6.877 -5.783 13.093 1.00 0.00 N ATOM 0 H ASN A 91 5.283 -5.804 8.727 1.00 0.00 H new ATOM 0 HA ASN A 91 5.200 -4.739 11.338 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.414 -7.144 10.720 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.013 -6.835 10.071 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.260 -5.920 14.028 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.470 -4.884 12.836 1.00 0.00 H new ATOM 1414 N PRO A 92 7.078 -3.054 11.433 1.00 0.00 N ATOM 1415 CA PRO A 92 8.191 -2.116 11.592 1.00 0.00 C ATOM 1416 C PRO A 92 9.559 -2.787 11.513 1.00 0.00 C ATOM 1417 O PRO A 92 10.122 -3.203 12.525 1.00 0.00 O ATOM 1418 CB PRO A 92 7.933 -1.559 12.984 1.00 0.00 C ATOM 1419 CG PRO A 92 6.446 -1.482 13.067 1.00 0.00 C ATOM 1420 CD PRO A 92 5.905 -2.613 12.218 1.00 0.00 C ATOM 0 HA PRO A 92 8.226 -1.367 10.801 1.00 0.00 H new ATOM 0 HB2 PRO A 92 8.344 -2.209 13.757 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.392 -0.579 13.114 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.110 -1.578 14.100 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.087 -0.519 12.704 1.00 0.00 H new ATOM 0 HD2 PRO A 92 5.508 -3.421 12.833 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.094 -2.276 11.572 1.00 0.00 H new ATOM 1428 N ALA A 93 10.081 -2.891 10.294 1.00 0.00 N ATOM 1429 CA ALA A 93 11.376 -3.516 10.059 1.00 0.00 C ATOM 1430 C ALA A 93 11.684 -3.583 8.565 1.00 0.00 C ATOM 1431 O ALA A 93 12.837 -3.449 8.153 1.00 0.00 O ATOM 1432 CB ALA A 93 11.413 -4.911 10.666 1.00 0.00 C ATOM 0 H ALA A 93 9.623 -2.548 9.450 1.00 0.00 H new ATOM 0 HA ALA A 93 12.139 -2.904 10.540 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.388 -5.363 10.481 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.242 -4.845 11.740 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.636 -5.526 10.212 1.00 0.00 H new ATOM 1438 N ALA A 94 10.647 -3.795 7.757 1.00 0.00 N ATOM 1439 CA ALA A 94 10.814 -3.880 6.311 1.00 0.00 C ATOM 1440 C ALA A 94 10.034 -2.790 5.593 1.00 0.00 C ATOM 1441 O ALA A 94 10.545 -2.159 4.670 1.00 0.00 O ATOM 1442 CB ALA A 94 10.399 -5.255 5.806 1.00 0.00 C ATOM 0 H ALA A 94 9.686 -3.910 8.079 1.00 0.00 H new ATOM 0 HA ALA A 94 11.871 -3.730 6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.530 -5.300 4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.017 -6.018 6.279 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.352 -5.432 6.052 1.00 0.00 H new ATOM 1448 N ILE A 95 8.799 -2.556 6.025 1.00 0.00 N ATOM 1449 CA ILE A 95 7.970 -1.522 5.419 1.00 0.00 C ATOM 1450 C ILE A 95 8.693 -0.173 5.396 1.00 0.00 C ATOM 1451 O ILE A 95 8.289 0.740 4.675 1.00 0.00 O ATOM 1452 CB ILE A 95 6.632 -1.376 6.173 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.796 -0.226 5.602 1.00 0.00 C ATOM 1454 CG2 ILE A 95 6.888 -1.159 7.657 1.00 0.00 C ATOM 1455 CD1 ILE A 95 5.523 -0.341 4.117 1.00 0.00 C ATOM 0 H ILE A 95 8.353 -3.065 6.788 1.00 0.00 H new ATOM 0 HA ILE A 95 7.769 -1.829 4.393 1.00 0.00 H new ATOM 0 HB ILE A 95 6.066 -2.298 6.041 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.845 -0.183 6.133 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.312 0.715 5.794 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.937 -1.057 8.179 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.434 -2.012 8.061 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.477 -0.252 7.796 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.926 0.510 3.790 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.468 -0.352 3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.978 -1.264 3.918 1.00 0.00 H new ATOM 1467 N LYS A 96 9.766 -0.051 6.177 1.00 0.00 N ATOM 1468 CA LYS A 96 10.533 1.189 6.226 1.00 0.00 C ATOM 1469 C LYS A 96 11.660 1.164 5.202 1.00 0.00 C ATOM 1470 O LYS A 96 11.830 2.108 4.428 1.00 0.00 O ATOM 1471 CB LYS A 96 11.096 1.421 7.632 1.00 0.00 C ATOM 1472 CG LYS A 96 12.085 0.361 8.084 1.00 0.00 C ATOM 1473 CD LYS A 96 12.575 0.626 9.498 1.00 0.00 C ATOM 1474 CE LYS A 96 13.610 -0.399 9.930 1.00 0.00 C ATOM 1475 NZ LYS A 96 14.087 -0.156 11.320 1.00 0.00 N ATOM 0 H LYS A 96 10.121 -0.793 6.781 1.00 0.00 H new ATOM 0 HA LYS A 96 9.863 2.013 5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.585 2.395 7.660 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.269 1.458 8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.614 -0.621 8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.934 0.339 7.401 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.006 1.626 9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.731 0.604 10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.181 -1.399 9.863 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.458 -0.370 9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.792 -0.877 11.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.520 0.788 11.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.283 -0.209 11.977 1.00 0.00 H new ATOM 1489 N GLN A 97 12.424 0.077 5.199 1.00 0.00 N ATOM 1490 CA GLN A 97 13.531 -0.072 4.266 1.00 0.00 C ATOM 1491 C GLN A 97 13.008 -0.311 2.858 1.00 0.00 C ATOM 1492 O GLN A 97 13.623 0.106 1.876 1.00 0.00 O ATOM 1493 CB GLN A 97 14.434 -1.233 4.690 1.00 0.00 C ATOM 1494 CG GLN A 97 15.040 -1.058 6.073 1.00 0.00 C ATOM 1495 CD GLN A 97 15.943 -2.213 6.463 1.00 0.00 C ATOM 1496 OE1 GLN A 97 16.939 -2.492 5.794 1.00 0.00 O ATOM 1497 NE2 GLN A 97 15.598 -2.892 7.551 1.00 0.00 N ATOM 0 H GLN A 97 12.296 -0.712 5.832 1.00 0.00 H new ATOM 0 HA GLN A 97 14.114 0.849 4.275 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.857 -2.158 4.670 1.00 0.00 H new ATOM 0 HB3 GLN A 97 15.237 -1.342 3.961 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.611 -0.130 6.101 1.00 0.00 H new ATOM 0 HG3 GLN A 97 14.240 -0.963 6.807 1.00 0.00 H new ATOM 0 HE21 GLN A 97 14.764 -2.626 8.075 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.167 -3.679 7.862 1.00 0.00 H new ATOM 1506 N ALA A 98 11.862 -0.978 2.766 1.00 0.00 N ATOM 1507 CA ALA A 98 11.249 -1.265 1.476 1.00 0.00 C ATOM 1508 C ALA A 98 10.910 0.030 0.748 1.00 0.00 C ATOM 1509 O ALA A 98 10.944 0.092 -0.481 1.00 0.00 O ATOM 1510 CB ALA A 98 10.000 -2.114 1.660 1.00 0.00 C ATOM 0 H ALA A 98 11.340 -1.329 3.569 1.00 0.00 H new ATOM 0 HA ALA A 98 11.962 -1.825 0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.553 -2.320 0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.267 -3.054 2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.284 -1.577 2.282 1.00 0.00 H new ATOM 1516 N ILE A 99 10.590 1.060 1.519 1.00 0.00 N ATOM 1517 CA ILE A 99 10.247 2.364 0.964 1.00 0.00 C ATOM 1518 C ILE A 99 11.487 3.246 0.810 1.00 0.00 C ATOM 1519 O ILE A 99 11.415 4.340 0.249 1.00 0.00 O ATOM 1520 CB ILE A 99 9.223 3.088 1.860 1.00 0.00 C ATOM 1521 CG1 ILE A 99 7.984 2.215 2.061 1.00 0.00 C ATOM 1522 CG2 ILE A 99 8.838 4.431 1.252 1.00 0.00 C ATOM 1523 CD1 ILE A 99 6.937 2.844 2.954 1.00 0.00 C ATOM 0 H ILE A 99 10.561 1.018 2.538 1.00 0.00 H new ATOM 0 HA ILE A 99 9.811 2.190 -0.020 1.00 0.00 H new ATOM 0 HB ILE A 99 9.680 3.271 2.833 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.539 2.001 1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.288 1.260 2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.114 4.929 1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.727 5.055 1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.397 4.272 0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.088 2.168 3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.365 3.033 3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.604 3.785 2.517 1.00 0.00 H new ATOM 1535 N ALA A 100 12.621 2.767 1.313 1.00 0.00 N ATOM 1536 CA ALA A 100 13.872 3.511 1.233 1.00 0.00 C ATOM 1537 C ALA A 100 14.635 3.162 -0.037 1.00 0.00 C ATOM 1538 O ALA A 100 14.819 4.004 -0.916 1.00 0.00 O ATOM 1539 CB ALA A 100 14.728 3.237 2.459 1.00 0.00 C ATOM 0 H ALA A 100 12.698 1.864 1.781 1.00 0.00 H new ATOM 0 HA ALA A 100 13.634 4.574 1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.659 3.799 2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.189 3.544 3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.951 2.172 2.516 1.00 0.00 H new ATOM 1545 N ALA A 101 15.074 1.909 -0.127 1.00 0.00 N ATOM 1546 CA ALA A 101 15.814 1.443 -1.292 1.00 0.00 C ATOM 1547 C ALA A 101 15.089 1.810 -2.580 1.00 0.00 C ATOM 1548 O ALA A 101 15.715 2.023 -3.619 1.00 0.00 O ATOM 1549 CB ALA A 101 16.028 -0.062 -1.213 1.00 0.00 C ATOM 0 H ALA A 101 14.929 1.201 0.593 1.00 0.00 H new ATOM 0 HA ALA A 101 16.786 1.936 -1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.582 -0.397 -2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.593 -0.302 -0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 101 15.062 -0.566 -1.180 1.00 0.00 H new ATOM 1555 N ASN A 102 13.764 1.887 -2.504 1.00 0.00 N ATOM 1556 CA ASN A 102 12.953 2.233 -3.653 1.00 0.00 C ATOM 1557 C ASN A 102 12.746 3.742 -3.740 1.00 0.00 C ATOM 1558 O ASN A 102 13.251 4.397 -4.652 1.00 0.00 O ATOM 1559 CB ASN A 102 11.610 1.518 -3.560 1.00 0.00 C ATOM 1560 CG ASN A 102 11.723 0.035 -3.852 1.00 0.00 C ATOM 1561 OD1 ASN A 102 12.152 -0.366 -4.934 1.00 0.00 O ATOM 1562 ND2 ASN A 102 11.335 -0.790 -2.887 1.00 0.00 N ATOM 0 H ASN A 102 13.232 1.712 -1.651 1.00 0.00 H new ATOM 0 HA ASN A 102 13.471 1.914 -4.557 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.195 1.658 -2.562 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.911 1.972 -4.262 1.00 0.00 H new ATOM 0 HD21 ASN A 102 11.386 -1.799 -3.027 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.986 -0.415 -2.005 1.00 0.00 H new ATOM 1569 N ALA A 103 12.002 4.287 -2.784 1.00 0.00 N ATOM 1570 CA ALA A 103 11.729 5.718 -2.754 1.00 0.00 C ATOM 1571 C ALA A 103 12.982 6.509 -2.396 1.00 0.00 C ATOM 1572 O ALA A 103 13.428 7.321 -3.234 1.00 0.00 O ATOM 1573 CB ALA A 103 10.613 6.020 -1.765 1.00 0.00 C ATOM 1574 OXT ALA A 103 13.509 6.311 -1.281 1.00 0.00 O ATOM 0 H ALA A 103 11.578 3.760 -2.021 1.00 0.00 H new ATOM 0 HA ALA A 103 11.411 6.023 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.419 7.092 -1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.708 5.491 -2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.911 5.693 -0.769 1.00 0.00 H new TER 1580 ALA A 103