USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 958 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 81 ASN :FLIP amide:sc= -0.389 F(o=-7.6,f=-6.1) USER MOD Set 1.2: A 98 HIS :FLIP no HD1:sc= -5.73! C(o=-9.3!,f=-6.1!) USER MOD Single : A 1 MET CE :methyl -124:sc= -0.0157 (180deg=-0.327) USER MOD Single : A 1 MET N :NH3+ -102:sc= 0.08 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 167:sc= 0.299 (180deg=0.242) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00552 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -0.181 (180deg=-0.749) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= -0.12 (180deg=-0.12) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.225 F(o=-1.7,f=-0.22) USER MOD Single : A 33 CYS SG : rot -136:sc= -2.5 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= -0.37 (180deg=-0.37) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 60:sc= -1.08 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= -0.104 (180deg=-0.783) USER MOD Single : A 49 TYR OH : rot 30:sc= -1.19 USER MOD Single : A 56 THR OG1 : rot 111:sc= 0.134 USER MOD Single : A 59 GLN :FLIP amide:sc= -1.3 F(o=-2,f=-1.3) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 165:sc= -0.531 (180deg=-1.51!) USER MOD Single : A 74 LYS NZ :NH3+ -170:sc= -1.14 (180deg=-1.24) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00039 USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.99 USER MOD Single : A 91 MET CE :methyl -157:sc= -0.262 (180deg=-1.43!) USER MOD Single : A 92 SER OG : rot 170:sc= -0.33 USER MOD Single : A 95 TYR OH : rot 147:sc= 0.062 USER MOD Single : A 96 GLN : amide:sc= -0.531 X(o=-0.53,f=-0.73) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 51:sc= 0.251 USER MOD Single : A 108 THR OG1 : rot -35:sc= 0.0769! USER MOD Single : A 109 TYR OH : rot -110:sc= -0.194 USER MOD Single : A 110 SER OG : rot 76:sc= 1.17 USER MOD Single : A 113 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.2) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.020 -2.555 -5.185 1.00 51.32 N ATOM 2 CA MET A 1 1.372 -2.982 -5.503 1.00 52.44 C ATOM 3 C MET A 1 2.352 -2.563 -4.405 1.00 72.15 C ATOM 4 O MET A 1 2.023 -1.734 -3.558 1.00 43.25 O ATOM 5 CB MET A 1 1.802 -2.363 -6.835 1.00 64.41 C ATOM 6 CG MET A 1 1.325 -3.214 -8.014 1.00 41.11 C ATOM 7 SD MET A 1 2.085 -4.828 -7.950 1.00 43.41 S ATOM 8 CE MET A 1 3.731 -4.417 -8.507 1.00 31.32 C ATOM 0 H1 MET A 1 -0.525 -3.365 -4.828 1.00 51.32 H new ATOM 0 H2 MET A 1 0.053 -1.812 -4.458 1.00 51.32 H new ATOM 0 H3 MET A 1 -0.437 -2.181 -6.041 1.00 51.32 H new ATOM 0 HA MET A 1 1.382 -4.069 -5.577 1.00 52.44 H new ATOM 0 HB2 MET A 1 1.394 -1.356 -6.920 1.00 64.41 H new ATOM 0 HB3 MET A 1 2.888 -2.271 -6.864 1.00 64.41 H new ATOM 0 HG2 MET A 1 0.240 -3.313 -7.986 1.00 41.11 H new ATOM 0 HG3 MET A 1 1.576 -2.722 -8.953 1.00 41.11 H new ATOM 0 HE1 MET A 1 3.985 -5.027 -9.374 1.00 31.32 H new ATOM 0 HE2 MET A 1 3.770 -3.363 -8.782 1.00 31.32 H new ATOM 0 HE3 MET A 1 4.445 -4.610 -7.706 1.00 31.32 H new ATOM 18 N LYS A 2 3.536 -3.156 -4.456 1.00 35.03 N ATOM 19 CA LYS A 2 4.565 -2.855 -3.476 1.00 25.11 C ATOM 20 C LYS A 2 5.172 -1.484 -3.784 1.00 35.50 C ATOM 21 O LYS A 2 4.994 -0.537 -3.019 1.00 62.34 O ATOM 22 CB LYS A 2 5.596 -3.984 -3.418 1.00 62.30 C ATOM 23 CG LYS A 2 5.149 -5.086 -2.455 1.00 70.11 C ATOM 24 CD LYS A 2 6.294 -6.058 -2.164 1.00 4.45 C ATOM 25 CE LYS A 2 7.251 -5.479 -1.119 1.00 22.41 C ATOM 26 NZ LYS A 2 6.718 -5.692 0.246 1.00 45.45 N ATOM 0 H LYS A 2 3.805 -3.843 -5.160 1.00 35.03 H new ATOM 0 HA LYS A 2 4.133 -2.796 -2.477 1.00 25.11 H new ATOM 0 HB2 LYS A 2 5.739 -4.403 -4.414 1.00 62.30 H new ATOM 0 HB3 LYS A 2 6.559 -3.586 -3.099 1.00 62.30 H new ATOM 0 HG2 LYS A 2 4.800 -4.640 -1.523 1.00 70.11 H new ATOM 0 HG3 LYS A 2 4.307 -5.629 -2.884 1.00 70.11 H new ATOM 0 HD2 LYS A 2 5.890 -7.005 -1.807 1.00 4.45 H new ATOM 0 HD3 LYS A 2 6.839 -6.270 -3.084 1.00 4.45 H new ATOM 0 HE2 LYS A 2 8.229 -5.951 -1.212 1.00 22.41 H new ATOM 0 HE3 LYS A 2 7.393 -4.413 -1.298 1.00 22.41 H new ATOM 0 HZ1 LYS A 2 7.464 -5.498 0.944 1.00 45.45 H new ATOM 0 HZ2 LYS A 2 5.916 -5.050 0.410 1.00 45.45 H new ATOM 0 HZ3 LYS A 2 6.399 -6.677 0.344 1.00 45.45 H new ATOM 39 N SER A 3 5.874 -1.422 -4.905 1.00 63.33 N ATOM 40 CA SER A 3 6.508 -0.183 -5.324 1.00 34.31 C ATOM 41 C SER A 3 5.522 0.661 -6.134 1.00 75.31 C ATOM 42 O SER A 3 4.635 0.122 -6.795 1.00 12.22 O ATOM 43 CB SER A 3 7.769 -0.459 -6.145 1.00 20.45 C ATOM 44 OG SER A 3 8.186 0.685 -6.883 1.00 44.54 O ATOM 0 H SER A 3 6.018 -2.210 -5.537 1.00 63.33 H new ATOM 0 HA SER A 3 6.802 0.369 -4.431 1.00 34.31 H new ATOM 0 HB2 SER A 3 8.573 -0.774 -5.480 1.00 20.45 H new ATOM 0 HB3 SER A 3 7.581 -1.285 -6.831 1.00 20.45 H new ATOM 0 HG SER A 3 8.995 0.469 -7.392 1.00 44.54 H new ATOM 50 N THR A 4 5.710 1.970 -6.056 1.00 74.14 N ATOM 51 CA THR A 4 4.848 2.894 -6.774 1.00 73.32 C ATOM 52 C THR A 4 5.677 3.792 -7.693 1.00 44.51 C ATOM 53 O THR A 4 5.131 4.640 -8.397 1.00 74.25 O ATOM 54 CB THR A 4 4.026 3.671 -5.744 1.00 50.10 C ATOM 55 OG1 THR A 4 4.941 3.910 -4.679 1.00 4.15 O ATOM 56 CG2 THR A 4 2.927 2.818 -5.107 1.00 22.11 C ATOM 0 H THR A 4 6.446 2.413 -5.507 1.00 74.14 H new ATOM 0 HA THR A 4 4.157 2.363 -7.429 1.00 73.32 H new ATOM 0 HB THR A 4 3.578 4.543 -6.221 1.00 50.10 H new ATOM 0 HG1 THR A 4 4.491 4.411 -3.967 1.00 4.15 H new ATOM 0 HG21 THR A 4 2.374 3.418 -4.384 1.00 22.11 H new ATOM 0 HG22 THR A 4 2.246 2.464 -5.881 1.00 22.11 H new ATOM 0 HG23 THR A 4 3.377 1.964 -4.601 1.00 22.11 H new ATOM 64 N PHE A 5 6.984 3.577 -7.656 1.00 61.12 N ATOM 65 CA PHE A 5 7.895 4.357 -8.477 1.00 33.10 C ATOM 66 C PHE A 5 7.637 4.114 -9.965 1.00 73.53 C ATOM 67 O PHE A 5 7.651 5.050 -10.763 1.00 22.12 O ATOM 68 CB PHE A 5 9.313 3.895 -8.135 1.00 75.30 C ATOM 69 CG PHE A 5 9.943 4.640 -6.957 1.00 32.03 C ATOM 70 CD1 PHE A 5 9.998 5.999 -6.963 1.00 30.12 C ATOM 71 CD2 PHE A 5 10.448 3.944 -5.903 1.00 72.44 C ATOM 72 CE1 PHE A 5 10.583 6.691 -5.869 1.00 71.53 C ATOM 73 CE2 PHE A 5 11.033 4.635 -4.810 1.00 12.32 C ATOM 74 CZ PHE A 5 11.088 5.994 -4.816 1.00 0.21 C ATOM 0 H PHE A 5 7.434 2.874 -7.070 1.00 61.12 H new ATOM 0 HA PHE A 5 7.755 5.420 -8.281 1.00 33.10 H new ATOM 0 HB2 PHE A 5 9.292 2.829 -7.908 1.00 75.30 H new ATOM 0 HB3 PHE A 5 9.947 4.022 -9.013 1.00 75.30 H new ATOM 0 HD1 PHE A 5 9.597 6.552 -7.799 1.00 30.12 H new ATOM 0 HD2 PHE A 5 10.404 2.865 -5.898 1.00 72.44 H new ATOM 0 HE1 PHE A 5 10.627 7.770 -5.873 1.00 71.53 H new ATOM 0 HE2 PHE A 5 11.434 4.082 -3.974 1.00 12.32 H new ATOM 0 HZ PHE A 5 11.533 6.520 -3.984 1.00 0.21 H new ATOM 84 N LYS A 6 7.407 2.851 -10.295 1.00 33.04 N ATOM 85 CA LYS A 6 7.146 2.473 -11.673 1.00 72.40 C ATOM 86 C LYS A 6 5.652 2.624 -11.965 1.00 35.32 C ATOM 87 O LYS A 6 5.266 2.984 -13.076 1.00 13.44 O ATOM 88 CB LYS A 6 7.689 1.070 -11.956 1.00 11.43 C ATOM 89 CG LYS A 6 7.005 0.028 -11.068 1.00 51.33 C ATOM 90 CD LYS A 6 7.306 -1.390 -11.556 1.00 63.12 C ATOM 91 CE LYS A 6 8.791 -1.552 -11.889 1.00 0.44 C ATOM 92 NZ LYS A 6 9.110 -2.971 -12.159 1.00 22.31 N ATOM 0 H LYS A 6 7.396 2.077 -9.631 1.00 33.04 H new ATOM 0 HA LYS A 6 7.674 3.138 -12.357 1.00 72.40 H new ATOM 0 HB2 LYS A 6 7.530 0.820 -13.005 1.00 11.43 H new ATOM 0 HB3 LYS A 6 8.765 1.051 -11.783 1.00 11.43 H new ATOM 0 HG2 LYS A 6 7.345 0.142 -10.039 1.00 51.33 H new ATOM 0 HG3 LYS A 6 5.928 0.196 -11.068 1.00 51.33 H new ATOM 0 HD2 LYS A 6 7.021 -2.110 -10.789 1.00 63.12 H new ATOM 0 HD3 LYS A 6 6.706 -1.610 -12.439 1.00 63.12 H new ATOM 0 HE2 LYS A 6 9.043 -0.945 -12.758 1.00 0.44 H new ATOM 0 HE3 LYS A 6 9.397 -1.188 -11.060 1.00 0.44 H new ATOM 0 HZ1 LYS A 6 10.121 -3.063 -12.383 1.00 22.31 H new ATOM 0 HZ2 LYS A 6 8.888 -3.543 -11.319 1.00 22.31 H new ATOM 0 HZ3 LYS A 6 8.545 -3.307 -12.965 1.00 22.31 H new ATOM 105 N SER A 7 4.851 2.340 -10.948 1.00 0.21 N ATOM 106 CA SER A 7 3.408 2.440 -11.081 1.00 55.13 C ATOM 107 C SER A 7 2.983 3.910 -11.087 1.00 41.05 C ATOM 108 O SER A 7 2.510 4.419 -12.102 1.00 41.04 O ATOM 109 CB SER A 7 2.697 1.687 -9.955 1.00 10.22 C ATOM 110 OG SER A 7 1.301 1.548 -10.204 1.00 32.43 O ATOM 0 H SER A 7 5.175 2.041 -10.028 1.00 0.21 H new ATOM 0 HA SER A 7 3.120 1.981 -12.027 1.00 55.13 H new ATOM 0 HB2 SER A 7 3.145 0.700 -9.840 1.00 10.22 H new ATOM 0 HB3 SER A 7 2.846 2.216 -9.014 1.00 10.22 H new ATOM 0 HG SER A 7 0.884 1.061 -9.463 1.00 32.43 H new ATOM 116 N GLU A 8 3.167 4.551 -9.943 1.00 25.24 N ATOM 117 CA GLU A 8 2.810 5.952 -9.803 1.00 54.22 C ATOM 118 C GLU A 8 3.536 6.793 -10.856 1.00 35.44 C ATOM 119 O GLU A 8 2.916 7.601 -11.545 1.00 73.23 O ATOM 120 CB GLU A 8 3.114 6.458 -8.392 1.00 3.11 C ATOM 121 CG GLU A 8 2.338 7.741 -8.090 1.00 11.51 C ATOM 122 CD GLU A 8 0.898 7.427 -7.680 1.00 55.44 C ATOM 123 OE1 GLU A 8 0.632 6.351 -7.126 1.00 35.24 O ATOM 124 OE2 GLU A 8 0.039 8.349 -7.957 1.00 13.41 O ATOM 0 H GLU A 8 3.559 4.125 -9.103 1.00 25.24 H new ATOM 0 HA GLU A 8 1.737 6.050 -9.965 1.00 54.22 H new ATOM 0 HB2 GLU A 8 2.853 5.691 -7.663 1.00 3.11 H new ATOM 0 HB3 GLU A 8 4.183 6.643 -8.291 1.00 3.11 H new ATOM 0 HG2 GLU A 8 2.835 8.292 -7.292 1.00 11.51 H new ATOM 0 HG3 GLU A 8 2.337 8.385 -8.969 1.00 11.51 H new ATOM 132 N TYR A 9 4.839 6.573 -10.946 1.00 10.11 N ATOM 133 CA TYR A 9 5.656 7.300 -11.903 1.00 11.24 C ATOM 134 C TYR A 9 6.172 6.370 -13.002 1.00 72.31 C ATOM 135 O TYR A 9 6.260 5.159 -12.805 1.00 22.12 O ATOM 136 CB TYR A 9 6.847 7.845 -11.112 1.00 11.22 C ATOM 137 CG TYR A 9 6.599 9.216 -10.479 1.00 71.10 C ATOM 138 CD1 TYR A 9 6.518 10.340 -11.276 1.00 61.52 C ATOM 139 CD2 TYR A 9 6.456 9.329 -9.111 1.00 30.31 C ATOM 140 CE1 TYR A 9 6.285 11.630 -10.681 1.00 33.44 C ATOM 141 CE2 TYR A 9 6.223 10.619 -8.515 1.00 75.23 C ATOM 142 CZ TYR A 9 6.148 11.706 -9.329 1.00 65.45 C ATOM 143 OH TYR A 9 5.928 12.924 -8.767 1.00 20.01 O ATOM 0 H TYR A 9 5.349 5.902 -10.372 1.00 10.11 H new ATOM 0 HA TYR A 9 5.076 8.089 -12.382 1.00 11.24 H new ATOM 0 HB2 TYR A 9 7.104 7.135 -10.326 1.00 11.22 H new ATOM 0 HB3 TYR A 9 7.710 7.913 -11.775 1.00 11.22 H new ATOM 0 HD1 TYR A 9 6.629 10.252 -12.347 1.00 61.52 H new ATOM 0 HD2 TYR A 9 6.519 8.450 -8.487 1.00 30.31 H new ATOM 0 HE1 TYR A 9 6.220 12.517 -11.293 1.00 33.44 H new ATOM 0 HE2 TYR A 9 6.110 10.721 -7.446 1.00 75.23 H new ATOM 0 HH TYR A 9 5.849 12.826 -7.795 1.00 20.01 H new ATOM 153 N PRO A 10 6.508 6.987 -14.167 1.00 33.24 N ATOM 154 CA PRO A 10 7.012 6.227 -15.298 1.00 4.23 C ATOM 155 C PRO A 10 8.463 5.798 -15.067 1.00 33.14 C ATOM 156 O PRO A 10 9.098 6.236 -14.109 1.00 24.10 O ATOM 157 CB PRO A 10 6.849 7.149 -16.495 1.00 4.20 C ATOM 158 CG PRO A 10 6.695 8.550 -15.925 1.00 22.33 C ATOM 159 CD PRO A 10 6.416 8.419 -14.436 1.00 62.23 C ATOM 0 HA PRO A 10 6.470 5.294 -15.454 1.00 4.23 H new ATOM 0 HB2 PRO A 10 7.715 7.089 -17.155 1.00 4.20 H new ATOM 0 HB3 PRO A 10 5.977 6.870 -17.087 1.00 4.20 H new ATOM 0 HG2 PRO A 10 7.601 9.133 -16.094 1.00 22.33 H new ATOM 0 HG3 PRO A 10 5.880 9.077 -16.421 1.00 22.33 H new ATOM 0 HD2 PRO A 10 7.141 8.980 -13.846 1.00 62.23 H new ATOM 0 HD3 PRO A 10 5.430 8.807 -14.182 1.00 62.23 H new ATOM 167 N PHE A 11 8.944 4.946 -15.960 1.00 53.22 N ATOM 168 CA PHE A 11 10.307 4.453 -15.866 1.00 22.11 C ATOM 169 C PHE A 11 11.303 5.489 -16.391 1.00 53.14 C ATOM 170 O PHE A 11 12.487 5.440 -16.063 1.00 21.30 O ATOM 171 CB PHE A 11 10.390 3.197 -16.736 1.00 34.04 C ATOM 172 CG PHE A 11 11.809 2.845 -17.187 1.00 34.43 C ATOM 173 CD1 PHE A 11 12.405 3.562 -18.177 1.00 22.54 C ATOM 174 CD2 PHE A 11 12.473 1.814 -16.598 1.00 41.40 C ATOM 175 CE1 PHE A 11 13.722 3.234 -18.595 1.00 50.43 C ATOM 176 CE2 PHE A 11 13.790 1.487 -17.017 1.00 10.22 C ATOM 177 CZ PHE A 11 14.387 2.204 -18.007 1.00 14.24 C ATOM 0 H PHE A 11 8.414 4.584 -16.753 1.00 53.22 H new ATOM 0 HA PHE A 11 10.556 4.244 -14.825 1.00 22.11 H new ATOM 0 HB2 PHE A 11 9.977 2.355 -16.181 1.00 34.04 H new ATOM 0 HB3 PHE A 11 9.764 3.336 -17.617 1.00 34.04 H new ATOM 0 HD1 PHE A 11 11.877 4.380 -18.645 1.00 22.54 H new ATOM 0 HD2 PHE A 11 11.999 1.245 -15.812 1.00 41.40 H new ATOM 0 HE1 PHE A 11 14.196 3.803 -19.381 1.00 50.43 H new ATOM 0 HE2 PHE A 11 14.318 0.669 -16.550 1.00 10.22 H new ATOM 0 HZ PHE A 11 15.388 1.955 -18.326 1.00 14.24 H new ATOM 187 N GLU A 12 10.785 6.403 -17.199 1.00 4.31 N ATOM 188 CA GLU A 12 11.614 7.450 -17.773 1.00 62.31 C ATOM 189 C GLU A 12 11.943 8.506 -16.716 1.00 43.04 C ATOM 190 O GLU A 12 13.105 8.867 -16.535 1.00 62.03 O ATOM 191 CB GLU A 12 10.934 8.083 -18.988 1.00 53.22 C ATOM 192 CG GLU A 12 11.052 7.179 -20.217 1.00 24.24 C ATOM 193 CD GLU A 12 10.558 7.896 -21.475 1.00 24.51 C ATOM 194 OE1 GLU A 12 9.347 7.925 -21.736 1.00 14.30 O ATOM 195 OE2 GLU A 12 11.484 8.436 -22.193 1.00 74.34 O ATOM 0 H GLU A 12 9.802 6.440 -17.470 1.00 4.31 H new ATOM 0 HA GLU A 12 12.548 7.002 -18.113 1.00 62.31 H new ATOM 0 HB2 GLU A 12 9.883 8.266 -18.766 1.00 53.22 H new ATOM 0 HB3 GLU A 12 11.388 9.051 -19.200 1.00 53.22 H new ATOM 0 HG2 GLU A 12 12.090 6.876 -20.351 1.00 24.24 H new ATOM 0 HG3 GLU A 12 10.472 6.270 -20.061 1.00 24.24 H new ATOM 203 N LYS A 13 10.900 8.972 -16.046 1.00 73.03 N ATOM 204 CA LYS A 13 11.063 9.980 -15.012 1.00 64.34 C ATOM 205 C LYS A 13 12.160 9.535 -14.042 1.00 50.53 C ATOM 206 O LYS A 13 13.178 10.211 -13.900 1.00 23.53 O ATOM 207 CB LYS A 13 9.724 10.273 -14.334 1.00 10.53 C ATOM 208 CG LYS A 13 9.749 11.636 -13.637 1.00 63.41 C ATOM 209 CD LYS A 13 9.388 12.757 -14.613 1.00 41.20 C ATOM 210 CE LYS A 13 9.408 14.119 -13.915 1.00 72.41 C ATOM 211 NZ LYS A 13 8.862 14.006 -12.544 1.00 41.00 N ATOM 0 H LYS A 13 9.938 8.670 -16.199 1.00 73.03 H new ATOM 0 HA LYS A 13 11.386 10.925 -15.448 1.00 64.34 H new ATOM 0 HB2 LYS A 13 8.925 10.254 -15.075 1.00 10.53 H new ATOM 0 HB3 LYS A 13 9.502 9.492 -13.606 1.00 10.53 H new ATOM 0 HG2 LYS A 13 9.047 11.635 -12.803 1.00 63.41 H new ATOM 0 HG3 LYS A 13 10.740 11.817 -13.220 1.00 63.41 H new ATOM 0 HD2 LYS A 13 10.092 12.760 -15.445 1.00 41.20 H new ATOM 0 HD3 LYS A 13 8.399 12.574 -15.033 1.00 41.20 H new ATOM 0 HE2 LYS A 13 10.429 14.500 -13.876 1.00 72.41 H new ATOM 0 HE3 LYS A 13 8.822 14.837 -14.488 1.00 72.41 H new ATOM 0 HZ1 LYS A 13 8.629 14.953 -12.184 1.00 41.00 H new ATOM 0 HZ2 LYS A 13 8.003 13.421 -12.560 1.00 41.00 H new ATOM 0 HZ3 LYS A 13 9.570 13.564 -11.924 1.00 41.00 H new ATOM 224 N ARG A 14 11.914 8.403 -13.400 1.00 65.24 N ATOM 225 CA ARG A 14 12.868 7.860 -12.448 1.00 4.41 C ATOM 226 C ARG A 14 14.290 7.963 -13.004 1.00 22.51 C ATOM 227 O ARG A 14 15.177 8.513 -12.353 1.00 70.10 O ATOM 228 CB ARG A 14 12.557 6.397 -12.129 1.00 32.10 C ATOM 229 CG ARG A 14 11.291 6.279 -11.277 1.00 25.21 C ATOM 230 CD ARG A 14 11.629 6.322 -9.785 1.00 50.52 C ATOM 231 NE ARG A 14 11.745 7.727 -9.333 1.00 50.04 N ATOM 232 CZ ARG A 14 10.699 8.571 -9.208 1.00 75.32 C ATOM 233 NH1 ARG A 14 9.447 8.158 -9.501 1.00 31.15 N ATOM 234 NH2 ARG A 14 10.918 9.805 -8.796 1.00 14.41 N ATOM 0 H ARG A 14 11.068 7.847 -13.520 1.00 65.24 H new ATOM 0 HA ARG A 14 12.790 8.444 -11.531 1.00 4.41 H new ATOM 0 HB2 ARG A 14 12.429 5.838 -13.056 1.00 32.10 H new ATOM 0 HB3 ARG A 14 13.399 5.949 -11.600 1.00 32.10 H new ATOM 0 HG2 ARG A 14 10.606 7.091 -11.522 1.00 25.21 H new ATOM 0 HG3 ARG A 14 10.777 5.347 -11.510 1.00 25.21 H new ATOM 0 HD2 ARG A 14 10.855 5.810 -9.213 1.00 50.52 H new ATOM 0 HD3 ARG A 14 12.564 5.793 -9.600 1.00 50.52 H new ATOM 0 HE ARG A 14 12.674 8.079 -9.101 1.00 50.04 H new ATOM 0 HH11 ARG A 14 9.287 7.202 -9.819 1.00 31.15 H new ATOM 0 HH12 ARG A 14 8.662 8.802 -9.404 1.00 31.15 H new ATOM 0 HH21 ARG A 14 11.867 10.109 -8.577 1.00 14.41 H new ATOM 0 HH22 ARG A 14 10.139 10.455 -8.696 1.00 14.41 H new ATOM 247 N LYS A 15 14.463 7.423 -14.202 1.00 1.52 N ATOM 248 CA LYS A 15 15.762 7.447 -14.853 1.00 10.03 C ATOM 249 C LYS A 15 16.248 8.894 -14.960 1.00 32.14 C ATOM 250 O LYS A 15 17.435 9.168 -14.793 1.00 24.41 O ATOM 251 CB LYS A 15 15.701 6.718 -16.196 1.00 62.33 C ATOM 252 CG LYS A 15 17.106 6.462 -16.746 1.00 3.44 C ATOM 253 CD LYS A 15 17.085 6.338 -18.270 1.00 74.43 C ATOM 254 CE LYS A 15 16.655 4.933 -18.699 1.00 52.34 C ATOM 255 NZ LYS A 15 16.217 4.935 -20.113 1.00 63.43 N ATOM 0 H LYS A 15 13.725 6.966 -14.738 1.00 1.52 H new ATOM 0 HA LYS A 15 16.497 6.907 -14.256 1.00 10.03 H new ATOM 0 HB2 LYS A 15 15.176 5.771 -16.076 1.00 62.33 H new ATOM 0 HB3 LYS A 15 15.130 7.311 -16.910 1.00 62.33 H new ATOM 0 HG2 LYS A 15 17.769 7.276 -16.453 1.00 3.44 H new ATOM 0 HG3 LYS A 15 17.510 5.549 -16.309 1.00 3.44 H new ATOM 0 HD2 LYS A 15 16.401 7.076 -18.689 1.00 74.43 H new ATOM 0 HD3 LYS A 15 18.075 6.558 -18.670 1.00 74.43 H new ATOM 0 HE2 LYS A 15 17.484 4.237 -18.570 1.00 52.34 H new ATOM 0 HE3 LYS A 15 15.843 4.584 -18.061 1.00 52.34 H new ATOM 0 HZ1 LYS A 15 15.929 3.975 -20.388 1.00 63.43 H new ATOM 0 HZ2 LYS A 15 15.412 5.584 -20.226 1.00 63.43 H new ATOM 0 HZ3 LYS A 15 17.002 5.248 -20.719 1.00 63.43 H new ATOM 268 N ALA A 16 15.305 9.782 -15.237 1.00 52.11 N ATOM 269 CA ALA A 16 15.622 11.194 -15.368 1.00 51.12 C ATOM 270 C ALA A 16 16.375 11.661 -14.121 1.00 42.22 C ATOM 271 O ALA A 16 17.545 12.032 -14.201 1.00 2.30 O ATOM 272 CB ALA A 16 14.335 11.987 -15.603 1.00 34.11 C ATOM 0 H ALA A 16 14.321 9.551 -15.374 1.00 52.11 H new ATOM 0 HA ALA A 16 16.271 11.363 -16.228 1.00 51.12 H new ATOM 0 HB1 ALA A 16 14.573 13.046 -15.701 1.00 34.11 H new ATOM 0 HB2 ALA A 16 13.854 11.637 -16.516 1.00 34.11 H new ATOM 0 HB3 ALA A 16 13.660 11.844 -14.759 1.00 34.11 H new ATOM 278 N GLU A 17 15.674 11.628 -12.998 1.00 34.52 N ATOM 279 CA GLU A 17 16.261 12.043 -11.736 1.00 24.25 C ATOM 280 C GLU A 17 17.710 11.558 -11.640 1.00 15.45 C ATOM 281 O GLU A 17 18.598 12.319 -11.259 1.00 22.13 O ATOM 282 CB GLU A 17 15.434 11.536 -10.552 1.00 42.04 C ATOM 283 CG GLU A 17 15.370 12.584 -9.439 1.00 62.23 C ATOM 284 CD GLU A 17 14.133 13.471 -9.592 1.00 21.01 C ATOM 285 OE1 GLU A 17 13.041 13.094 -9.143 1.00 34.05 O ATOM 286 OE2 GLU A 17 14.336 14.589 -10.202 1.00 1.42 O ATOM 0 H GLU A 17 14.704 11.320 -12.936 1.00 34.52 H new ATOM 0 HA GLU A 17 16.259 13.132 -11.698 1.00 24.25 H new ATOM 0 HB2 GLU A 17 14.425 11.293 -10.886 1.00 42.04 H new ATOM 0 HB3 GLU A 17 15.872 10.616 -10.165 1.00 42.04 H new ATOM 0 HG2 GLU A 17 15.349 12.088 -8.469 1.00 62.23 H new ATOM 0 HG3 GLU A 17 16.269 13.200 -9.462 1.00 62.23 H new ATOM 294 N SER A 18 17.902 10.296 -11.991 1.00 61.35 N ATOM 295 CA SER A 18 19.227 9.701 -11.950 1.00 22.12 C ATOM 296 C SER A 18 20.156 10.424 -12.927 1.00 4.23 C ATOM 297 O SER A 18 21.292 10.748 -12.584 1.00 45.21 O ATOM 298 CB SER A 18 19.171 8.208 -12.277 1.00 61.45 C ATOM 299 OG SER A 18 20.379 7.538 -11.926 1.00 42.23 O ATOM 0 H SER A 18 17.162 9.668 -12.305 1.00 61.35 H new ATOM 0 HA SER A 18 19.619 9.809 -10.939 1.00 22.12 H new ATOM 0 HB2 SER A 18 18.336 7.752 -11.745 1.00 61.45 H new ATOM 0 HB3 SER A 18 18.980 8.077 -13.342 1.00 61.45 H new ATOM 0 HG SER A 18 20.302 6.587 -12.149 1.00 42.23 H new ATOM 305 N GLU A 19 19.639 10.656 -14.124 1.00 52.21 N ATOM 306 CA GLU A 19 20.408 11.335 -15.153 1.00 51.21 C ATOM 307 C GLU A 19 21.005 12.631 -14.601 1.00 54.54 C ATOM 308 O GLU A 19 22.042 13.092 -15.075 1.00 40.30 O ATOM 309 CB GLU A 19 19.548 11.610 -16.389 1.00 23.34 C ATOM 310 CG GLU A 19 19.118 10.303 -17.059 1.00 1.14 C ATOM 311 CD GLU A 19 20.137 9.867 -18.114 1.00 33.23 C ATOM 312 OE1 GLU A 19 19.748 9.426 -19.206 1.00 1.33 O ATOM 313 OE2 GLU A 19 21.372 9.999 -17.767 1.00 1.45 O ATOM 0 H GLU A 19 18.696 10.386 -14.405 1.00 52.21 H new ATOM 0 HA GLU A 19 21.226 10.682 -15.458 1.00 51.21 H new ATOM 0 HB2 GLU A 19 18.666 12.183 -16.103 1.00 23.34 H new ATOM 0 HB3 GLU A 19 20.108 12.219 -17.098 1.00 23.34 H new ATOM 0 HG2 GLU A 19 19.012 9.522 -16.306 1.00 1.14 H new ATOM 0 HG3 GLU A 19 18.141 10.433 -17.524 1.00 1.14 H new ATOM 321 N ARG A 20 20.323 13.183 -13.608 1.00 5.02 N ATOM 322 CA ARG A 20 20.773 14.417 -12.986 1.00 43.15 C ATOM 323 C ARG A 20 21.890 14.129 -11.981 1.00 62.12 C ATOM 324 O ARG A 20 22.981 14.687 -12.083 1.00 44.34 O ATOM 325 CB ARG A 20 19.622 15.125 -12.270 1.00 35.42 C ATOM 326 CG ARG A 20 18.380 15.193 -13.162 1.00 22.23 C ATOM 327 CD ARG A 20 17.278 16.026 -12.504 1.00 71.34 C ATOM 328 NE ARG A 20 17.768 17.397 -12.241 1.00 64.02 N ATOM 329 CZ ARG A 20 18.407 17.769 -11.111 1.00 71.42 C ATOM 330 NH1 ARG A 20 18.638 16.872 -10.128 1.00 53.43 N ATOM 331 NH2 ARG A 20 18.802 19.021 -10.982 1.00 10.42 N ATOM 0 H ARG A 20 19.462 12.798 -13.219 1.00 5.02 H new ATOM 0 HA ARG A 20 21.149 15.068 -13.776 1.00 43.15 H new ATOM 0 HB2 ARG A 20 19.383 14.596 -11.347 1.00 35.42 H new ATOM 0 HB3 ARG A 20 19.928 16.133 -11.990 1.00 35.42 H new ATOM 0 HG2 ARG A 20 18.643 15.628 -14.126 1.00 22.23 H new ATOM 0 HG3 ARG A 20 18.012 14.186 -13.357 1.00 22.23 H new ATOM 0 HD2 ARG A 20 16.402 16.062 -13.152 1.00 71.34 H new ATOM 0 HD3 ARG A 20 16.965 15.558 -11.571 1.00 71.34 H new ATOM 0 HE ARG A 20 17.613 18.106 -12.958 1.00 64.02 H new ATOM 0 HH11 ARG A 20 18.329 15.906 -10.236 1.00 53.43 H new ATOM 0 HH12 ARG A 20 19.121 17.161 -9.277 1.00 53.43 H new ATOM 0 HH21 ARG A 20 18.623 19.692 -11.729 1.00 10.42 H new ATOM 0 HH22 ARG A 20 19.286 19.318 -10.135 1.00 10.42 H new ATOM 344 N ILE A 21 21.579 13.258 -11.033 1.00 31.31 N ATOM 345 CA ILE A 21 22.543 12.889 -10.010 1.00 73.40 C ATOM 346 C ILE A 21 23.777 12.277 -10.676 1.00 3.35 C ATOM 347 O ILE A 21 24.847 12.217 -10.071 1.00 32.30 O ATOM 348 CB ILE A 21 21.893 11.979 -8.965 1.00 62.12 C ATOM 349 CG1 ILE A 21 21.086 12.795 -7.953 1.00 62.14 C ATOM 350 CG2 ILE A 21 22.938 11.093 -8.284 1.00 44.10 C ATOM 351 CD1 ILE A 21 19.933 11.970 -7.378 1.00 63.43 C ATOM 0 H ILE A 21 20.673 12.797 -10.951 1.00 31.31 H new ATOM 0 HA ILE A 21 22.879 13.772 -9.466 1.00 73.40 H new ATOM 0 HB ILE A 21 21.193 11.317 -9.476 1.00 62.12 H new ATOM 0 HG12 ILE A 21 21.738 13.127 -7.145 1.00 62.14 H new ATOM 0 HG13 ILE A 21 20.693 13.691 -8.434 1.00 62.14 H new ATOM 0 HG21 ILE A 21 22.450 10.456 -7.546 1.00 44.10 H new ATOM 0 HG22 ILE A 21 23.430 10.471 -9.031 1.00 44.10 H new ATOM 0 HG23 ILE A 21 23.679 11.720 -7.789 1.00 44.10 H new ATOM 0 HD11 ILE A 21 19.376 12.574 -6.662 1.00 63.43 H new ATOM 0 HD12 ILE A 21 19.269 11.660 -8.185 1.00 63.43 H new ATOM 0 HD13 ILE A 21 20.331 11.088 -6.877 1.00 63.43 H new ATOM 363 N ALA A 22 23.588 11.840 -11.912 1.00 21.44 N ATOM 364 CA ALA A 22 24.673 11.235 -12.666 1.00 1.12 C ATOM 365 C ALA A 22 25.530 12.338 -13.291 1.00 73.34 C ATOM 366 O ALA A 22 26.738 12.174 -13.453 1.00 71.54 O ATOM 367 CB ALA A 22 24.097 10.280 -13.713 1.00 30.43 C ATOM 0 H ALA A 22 22.700 11.893 -12.411 1.00 21.44 H new ATOM 0 HA ALA A 22 25.317 10.649 -12.010 1.00 1.12 H new ATOM 0 HB1 ALA A 22 24.911 9.826 -14.279 1.00 30.43 H new ATOM 0 HB2 ALA A 22 23.521 9.499 -13.216 1.00 30.43 H new ATOM 0 HB3 ALA A 22 23.448 10.833 -14.392 1.00 30.43 H new ATOM 373 N ASP A 23 24.870 13.437 -13.626 1.00 43.02 N ATOM 374 CA ASP A 23 25.556 14.566 -14.231 1.00 2.55 C ATOM 375 C ASP A 23 26.120 15.465 -13.128 1.00 22.43 C ATOM 376 O ASP A 23 26.966 16.319 -13.390 1.00 32.45 O ATOM 377 CB ASP A 23 24.597 15.404 -15.078 1.00 52.30 C ATOM 378 CG ASP A 23 25.240 16.115 -16.271 1.00 12.25 C ATOM 379 OD1 ASP A 23 26.011 17.071 -16.104 1.00 3.52 O ATOM 380 OD2 ASP A 23 24.915 15.643 -17.426 1.00 65.04 O ATOM 0 H ASP A 23 23.868 13.570 -13.490 1.00 43.02 H new ATOM 0 HA ASP A 23 26.351 14.176 -14.866 1.00 2.55 H new ATOM 0 HB2 ASP A 23 23.801 14.757 -15.446 1.00 52.30 H new ATOM 0 HB3 ASP A 23 24.129 16.152 -14.438 1.00 52.30 H new ATOM 386 N ARG A 24 25.629 15.241 -11.918 1.00 23.24 N ATOM 387 CA ARG A 24 26.074 16.019 -10.774 1.00 13.20 C ATOM 388 C ARG A 24 27.102 15.230 -9.962 1.00 23.41 C ATOM 389 O ARG A 24 28.236 15.675 -9.789 1.00 31.22 O ATOM 390 CB ARG A 24 24.897 16.391 -9.870 1.00 32.22 C ATOM 391 CG ARG A 24 25.139 17.734 -9.179 1.00 1.31 C ATOM 392 CD ARG A 24 26.597 17.867 -8.735 1.00 1.35 C ATOM 393 NE ARG A 24 26.747 19.031 -7.833 1.00 43.30 N ATOM 394 CZ ARG A 24 26.875 20.306 -8.258 1.00 43.31 C ATOM 395 NH1 ARG A 24 26.872 20.592 -9.577 1.00 44.24 N ATOM 396 NH2 ARG A 24 27.004 21.269 -7.364 1.00 55.12 N ATOM 0 H ARG A 24 24.927 14.532 -11.705 1.00 23.24 H new ATOM 0 HA ARG A 24 26.530 16.934 -11.153 1.00 13.20 H new ATOM 0 HB2 ARG A 24 23.982 16.442 -10.461 1.00 32.22 H new ATOM 0 HB3 ARG A 24 24.750 15.614 -9.120 1.00 32.22 H new ATOM 0 HG2 ARG A 24 24.886 18.548 -9.859 1.00 1.31 H new ATOM 0 HG3 ARG A 24 24.482 17.826 -8.314 1.00 1.31 H new ATOM 0 HD2 ARG A 24 26.915 16.958 -8.225 1.00 1.35 H new ATOM 0 HD3 ARG A 24 27.242 17.986 -9.606 1.00 1.35 H new ATOM 0 HE ARG A 24 26.754 18.859 -6.828 1.00 43.30 H new ATOM 0 HH11 ARG A 24 26.772 19.842 -10.261 1.00 44.24 H new ATOM 0 HH12 ARG A 24 26.969 21.558 -9.890 1.00 44.24 H new ATOM 0 HH21 ARG A 24 27.006 21.044 -6.369 1.00 55.12 H new ATOM 0 HH22 ARG A 24 27.102 22.238 -7.668 1.00 55.12 H new ATOM 409 N PHE A 25 26.670 14.071 -9.486 1.00 1.45 N ATOM 410 CA PHE A 25 27.539 13.216 -8.696 1.00 23.31 C ATOM 411 C PHE A 25 27.574 11.796 -9.264 1.00 62.52 C ATOM 412 O PHE A 25 26.929 10.894 -8.731 1.00 62.14 O ATOM 413 CB PHE A 25 26.959 13.172 -7.281 1.00 53.01 C ATOM 414 CG PHE A 25 26.348 14.496 -6.818 1.00 10.30 C ATOM 415 CD1 PHE A 25 27.150 15.484 -6.339 1.00 2.35 C ATOM 416 CD2 PHE A 25 25.003 14.685 -6.886 1.00 12.31 C ATOM 417 CE1 PHE A 25 26.583 16.713 -5.909 1.00 4.32 C ATOM 418 CE2 PHE A 25 24.436 15.914 -6.456 1.00 41.31 C ATOM 419 CZ PHE A 25 25.238 16.902 -5.977 1.00 2.43 C ATOM 0 H PHE A 25 25.729 13.704 -9.632 1.00 1.45 H new ATOM 0 HA PHE A 25 28.556 13.609 -8.706 1.00 23.31 H new ATOM 0 HB2 PHE A 25 26.195 12.396 -7.236 1.00 53.01 H new ATOM 0 HB3 PHE A 25 27.747 12.884 -6.585 1.00 53.01 H new ATOM 0 HD1 PHE A 25 28.218 15.334 -6.286 1.00 2.35 H new ATOM 0 HD2 PHE A 25 24.366 13.900 -7.267 1.00 12.31 H new ATOM 0 HE1 PHE A 25 27.220 17.498 -5.528 1.00 4.32 H new ATOM 0 HE2 PHE A 25 23.368 16.064 -6.509 1.00 41.31 H new ATOM 0 HZ PHE A 25 24.807 17.837 -5.651 1.00 2.43 H new ATOM 429 N PRO A 26 28.354 11.637 -10.367 1.00 70.30 N ATOM 430 CA PRO A 26 28.481 10.342 -11.013 1.00 64.34 C ATOM 431 C PRO A 26 29.381 9.409 -10.200 1.00 44.12 C ATOM 432 O PRO A 26 29.612 8.266 -10.591 1.00 73.14 O ATOM 433 CB PRO A 26 29.035 10.645 -12.396 1.00 70.11 C ATOM 434 CG PRO A 26 29.632 12.040 -12.309 1.00 41.13 C ATOM 435 CD PRO A 26 29.132 12.682 -11.025 1.00 61.05 C ATOM 0 HA PRO A 26 27.530 9.814 -11.086 1.00 64.34 H new ATOM 0 HB2 PRO A 26 29.791 9.914 -12.683 1.00 70.11 H new ATOM 0 HB3 PRO A 26 28.249 10.603 -13.150 1.00 70.11 H new ATOM 0 HG2 PRO A 26 30.721 11.990 -12.312 1.00 41.13 H new ATOM 0 HG3 PRO A 26 29.338 12.636 -13.173 1.00 41.13 H new ATOM 0 HD2 PRO A 26 29.961 13.013 -10.399 1.00 61.05 H new ATOM 0 HD3 PRO A 26 28.520 13.560 -11.233 1.00 61.05 H new ATOM 443 N ASN A 27 29.866 9.932 -9.083 1.00 71.03 N ATOM 444 CA ASN A 27 30.735 9.160 -8.212 1.00 4.55 C ATOM 445 C ASN A 27 29.967 8.769 -6.948 1.00 15.31 C ATOM 446 O ASN A 27 30.562 8.327 -5.967 1.00 32.13 O ATOM 447 CB ASN A 27 31.957 9.979 -7.788 1.00 34.35 C ATOM 448 CG ASN A 27 31.573 11.435 -7.515 1.00 23.43 C ATOM 449 OD1 ASN A 27 31.454 12.177 -8.611 1.00 75.22 O flip ATOM 450 ND2 ASN A 27 31.398 11.856 -6.383 1.00 40.25 N flip ATOM 0 H ASN A 27 29.673 10.881 -8.762 1.00 71.03 H new ATOM 0 HA ASN A 27 31.064 8.277 -8.760 1.00 4.55 H new ATOM 0 HB2 ASN A 27 32.400 9.542 -6.893 1.00 34.35 H new ATOM 0 HB3 ASN A 27 32.715 9.940 -8.570 1.00 34.35 H new ATOM 0 HD21 ASN A 27 31.506 11.231 -5.584 1.00 40.25 H new ATOM 0 HD22 ASN A 27 31.144 12.833 -6.236 1.00 40.25 H new ATOM 457 N ARG A 28 28.655 8.947 -7.013 1.00 62.31 N ATOM 458 CA ARG A 28 27.799 8.618 -5.886 1.00 74.23 C ATOM 459 C ARG A 28 26.947 7.388 -6.208 1.00 40.11 C ATOM 460 O ARG A 28 27.074 6.805 -7.284 1.00 22.35 O ATOM 461 CB ARG A 28 26.879 9.788 -5.534 1.00 12.44 C ATOM 462 CG ARG A 28 27.664 10.922 -4.871 1.00 11.13 C ATOM 463 CD ARG A 28 28.121 10.524 -3.466 1.00 15.24 C ATOM 464 NE ARG A 28 28.553 11.724 -2.715 1.00 54.31 N ATOM 465 CZ ARG A 28 28.531 11.823 -1.369 1.00 5.41 C ATOM 466 NH1 ARG A 28 28.098 10.792 -0.613 1.00 3.43 N ATOM 467 NH2 ARG A 28 28.941 12.944 -0.803 1.00 73.41 N ATOM 0 H ARG A 28 28.165 9.315 -7.828 1.00 62.31 H new ATOM 0 HA ARG A 28 28.442 8.406 -5.032 1.00 74.23 H new ATOM 0 HB2 ARG A 28 26.392 10.157 -6.437 1.00 12.44 H new ATOM 0 HB3 ARG A 28 26.090 9.446 -4.864 1.00 12.44 H new ATOM 0 HG2 ARG A 28 28.531 11.174 -5.481 1.00 11.13 H new ATOM 0 HG3 ARG A 28 27.042 11.816 -4.816 1.00 11.13 H new ATOM 0 HD2 ARG A 28 27.308 10.027 -2.937 1.00 15.24 H new ATOM 0 HD3 ARG A 28 28.942 9.810 -3.530 1.00 15.24 H new ATOM 0 HE ARG A 28 28.888 12.526 -3.248 1.00 54.31 H new ATOM 0 HH11 ARG A 28 27.784 9.930 -1.058 1.00 3.43 H new ATOM 0 HH12 ARG A 28 28.085 10.875 0.404 1.00 3.43 H new ATOM 0 HH21 ARG A 28 29.268 13.718 -1.382 1.00 73.41 H new ATOM 0 HH22 ARG A 28 28.931 13.036 0.213 1.00 73.41 H new ATOM 480 N ILE A 29 26.098 7.030 -5.256 1.00 54.53 N ATOM 481 CA ILE A 29 25.225 5.881 -5.425 1.00 23.31 C ATOM 482 C ILE A 29 23.886 6.157 -4.739 1.00 52.33 C ATOM 483 O ILE A 29 23.727 5.891 -3.549 1.00 0.30 O ATOM 484 CB ILE A 29 25.916 4.607 -4.933 1.00 44.24 C ATOM 485 CG1 ILE A 29 27.399 4.607 -5.312 1.00 31.11 C ATOM 486 CG2 ILE A 29 25.194 3.359 -5.445 1.00 11.23 C ATOM 487 CD1 ILE A 29 28.052 3.266 -4.969 1.00 51.33 C ATOM 0 H ILE A 29 25.996 7.516 -4.365 1.00 54.53 H new ATOM 0 HA ILE A 29 25.014 5.715 -6.481 1.00 23.31 H new ATOM 0 HB ILE A 29 25.861 4.587 -3.845 1.00 44.24 H new ATOM 0 HG12 ILE A 29 27.506 4.805 -6.378 1.00 31.11 H new ATOM 0 HG13 ILE A 29 27.913 5.411 -4.785 1.00 31.11 H new ATOM 0 HG21 ILE A 29 25.705 2.468 -5.081 1.00 11.23 H new ATOM 0 HG22 ILE A 29 24.165 3.360 -5.084 1.00 11.23 H new ATOM 0 HG23 ILE A 29 25.196 3.359 -6.535 1.00 11.23 H new ATOM 0 HD11 ILE A 29 29.105 3.292 -5.248 1.00 51.33 H new ATOM 0 HD12 ILE A 29 27.965 3.082 -3.898 1.00 51.33 H new ATOM 0 HD13 ILE A 29 27.551 2.467 -5.516 1.00 51.33 H new ATOM 499 N PRO A 30 22.932 6.702 -5.541 1.00 34.02 N ATOM 500 CA PRO A 30 21.611 7.018 -5.024 1.00 31.42 C ATOM 501 C PRO A 30 20.778 5.748 -4.836 1.00 53.10 C ATOM 502 O PRO A 30 20.055 5.336 -5.742 1.00 20.10 O ATOM 503 CB PRO A 30 21.010 7.977 -6.038 1.00 5.51 C ATOM 504 CG PRO A 30 21.823 7.802 -7.310 1.00 64.33 C ATOM 505 CD PRO A 30 23.084 7.031 -6.955 1.00 61.51 C ATOM 0 HA PRO A 30 21.645 7.475 -4.035 1.00 31.42 H new ATOM 0 HB2 PRO A 30 19.958 7.752 -6.213 1.00 5.51 H new ATOM 0 HB3 PRO A 30 21.061 9.005 -5.681 1.00 5.51 H new ATOM 0 HG2 PRO A 30 21.245 7.264 -8.061 1.00 64.33 H new ATOM 0 HG3 PRO A 30 22.076 8.772 -7.738 1.00 64.33 H new ATOM 0 HD2 PRO A 30 23.182 6.131 -7.562 1.00 61.51 H new ATOM 0 HD3 PRO A 30 23.977 7.631 -7.128 1.00 61.51 H new ATOM 513 N VAL A 31 20.906 5.164 -3.654 1.00 24.31 N ATOM 514 CA VAL A 31 20.174 3.950 -3.336 1.00 22.44 C ATOM 515 C VAL A 31 18.785 4.319 -2.813 1.00 13.52 C ATOM 516 O VAL A 31 18.609 5.370 -2.197 1.00 35.51 O ATOM 517 CB VAL A 31 20.977 3.098 -2.350 1.00 33.11 C ATOM 518 CG1 VAL A 31 20.057 2.173 -1.550 1.00 65.30 C ATOM 519 CG2 VAL A 31 22.063 2.300 -3.073 1.00 63.22 C ATOM 0 H VAL A 31 21.506 5.509 -2.905 1.00 24.31 H new ATOM 0 HA VAL A 31 20.034 3.343 -4.231 1.00 22.44 H new ATOM 0 HB VAL A 31 21.468 3.771 -1.648 1.00 33.11 H new ATOM 0 HG11 VAL A 31 20.652 1.579 -0.857 1.00 65.30 H new ATOM 0 HG12 VAL A 31 19.338 2.771 -0.990 1.00 65.30 H new ATOM 0 HG13 VAL A 31 19.525 1.510 -2.232 1.00 65.30 H new ATOM 0 HG21 VAL A 31 22.619 1.703 -2.350 1.00 63.22 H new ATOM 0 HG22 VAL A 31 21.602 1.641 -3.809 1.00 63.22 H new ATOM 0 HG23 VAL A 31 22.744 2.986 -3.577 1.00 63.22 H new ATOM 529 N ILE A 32 17.833 3.436 -3.077 1.00 45.05 N ATOM 530 CA ILE A 32 16.465 3.656 -2.641 1.00 41.44 C ATOM 531 C ILE A 32 16.017 2.482 -1.769 1.00 1.22 C ATOM 532 O ILE A 32 15.513 1.482 -2.278 1.00 43.43 O ATOM 533 CB ILE A 32 15.554 3.912 -3.844 1.00 21.22 C ATOM 534 CG1 ILE A 32 15.677 5.358 -4.328 1.00 2.14 C ATOM 535 CG2 ILE A 32 14.106 3.536 -3.524 1.00 71.41 C ATOM 536 CD1 ILE A 32 15.328 6.342 -3.209 1.00 74.03 C ATOM 0 H ILE A 32 17.983 2.566 -3.588 1.00 45.05 H new ATOM 0 HA ILE A 32 16.401 4.553 -2.025 1.00 41.44 H new ATOM 0 HB ILE A 32 15.881 3.270 -4.662 1.00 21.22 H new ATOM 0 HG12 ILE A 32 16.693 5.543 -4.677 1.00 2.14 H new ATOM 0 HG13 ILE A 32 15.014 5.518 -5.178 1.00 2.14 H new ATOM 0 HG21 ILE A 32 13.479 3.727 -4.395 1.00 71.41 H new ATOM 0 HG22 ILE A 32 14.053 2.479 -3.265 1.00 71.41 H new ATOM 0 HG23 ILE A 32 13.752 4.134 -2.684 1.00 71.41 H new ATOM 0 HD11 ILE A 32 15.423 7.363 -3.579 1.00 74.03 H new ATOM 0 HD12 ILE A 32 14.303 6.170 -2.879 1.00 74.03 H new ATOM 0 HD13 ILE A 32 16.008 6.195 -2.370 1.00 74.03 H new ATOM 548 N CYS A 33 16.217 2.642 -0.469 1.00 13.51 N ATOM 549 CA CYS A 33 15.840 1.608 0.479 1.00 14.13 C ATOM 550 C CYS A 33 14.386 1.843 0.894 1.00 53.14 C ATOM 551 O CYS A 33 13.916 2.980 0.905 1.00 31.24 O ATOM 552 CB CYS A 33 16.779 1.577 1.686 1.00 2.54 C ATOM 553 SG CYS A 33 16.471 0.073 2.681 1.00 22.33 S ATOM 0 H CYS A 33 16.635 3.473 -0.050 1.00 13.51 H new ATOM 0 HA CYS A 33 15.929 0.630 0.007 1.00 14.13 H new ATOM 0 HB2 CYS A 33 17.816 1.595 1.351 1.00 2.54 H new ATOM 0 HB3 CYS A 33 16.627 2.466 2.299 1.00 2.54 H new ATOM 0 HG CYS A 33 16.446 0.385 3.943 1.00 22.33 H new ATOM 559 N GLU A 34 13.714 0.750 1.223 1.00 33.14 N ATOM 560 CA GLU A 34 12.323 0.823 1.637 1.00 33.22 C ATOM 561 C GLU A 34 12.084 -0.070 2.856 1.00 21.53 C ATOM 562 O GLU A 34 12.630 -1.170 2.941 1.00 15.30 O ATOM 563 CB GLU A 34 11.388 0.442 0.487 1.00 11.34 C ATOM 564 CG GLU A 34 11.913 0.977 -0.846 1.00 42.43 C ATOM 565 CD GLU A 34 10.770 1.185 -1.842 1.00 43.21 C ATOM 566 OE1 GLU A 34 9.734 0.512 -1.745 1.00 74.12 O ATOM 567 OE2 GLU A 34 10.987 2.085 -2.741 1.00 21.21 O ATOM 0 H GLU A 34 14.107 -0.191 1.211 1.00 33.14 H new ATOM 0 HA GLU A 34 12.101 1.853 1.916 1.00 33.22 H new ATOM 0 HB2 GLU A 34 11.292 -0.643 0.435 1.00 11.34 H new ATOM 0 HB3 GLU A 34 10.392 0.841 0.676 1.00 11.34 H new ATOM 0 HG2 GLU A 34 12.434 1.920 -0.683 1.00 42.43 H new ATOM 0 HG3 GLU A 34 12.640 0.279 -1.261 1.00 42.43 H new ATOM 575 N LYS A 35 11.269 0.435 3.770 1.00 54.01 N ATOM 576 CA LYS A 35 10.951 -0.303 4.980 1.00 21.44 C ATOM 577 C LYS A 35 9.989 -1.443 4.640 1.00 55.12 C ATOM 578 O LYS A 35 9.019 -1.244 3.909 1.00 65.02 O ATOM 579 CB LYS A 35 10.426 0.642 6.063 1.00 43.23 C ATOM 580 CG LYS A 35 9.755 -0.139 7.194 1.00 14.42 C ATOM 581 CD LYS A 35 8.271 -0.365 6.898 1.00 15.45 C ATOM 582 CE LYS A 35 7.447 -0.354 8.188 1.00 72.33 C ATOM 583 NZ LYS A 35 6.238 -1.195 8.037 1.00 10.22 N ATOM 0 H LYS A 35 10.819 1.347 3.697 1.00 54.01 H new ATOM 0 HA LYS A 35 11.851 -0.758 5.395 1.00 21.44 H new ATOM 0 HB2 LYS A 35 11.249 1.234 6.464 1.00 43.23 H new ATOM 0 HB3 LYS A 35 9.713 1.341 5.626 1.00 43.23 H new ATOM 0 HG2 LYS A 35 10.254 -1.099 7.324 1.00 14.42 H new ATOM 0 HG3 LYS A 35 9.864 0.406 8.132 1.00 14.42 H new ATOM 0 HD2 LYS A 35 7.909 0.411 6.224 1.00 15.45 H new ATOM 0 HD3 LYS A 35 8.140 -1.318 6.386 1.00 15.45 H new ATOM 0 HE2 LYS A 35 8.052 -0.722 9.016 1.00 72.33 H new ATOM 0 HE3 LYS A 35 7.158 0.668 8.434 1.00 72.33 H new ATOM 0 HZ1 LYS A 35 5.690 -1.177 8.921 1.00 10.22 H new ATOM 0 HZ2 LYS A 35 5.654 -0.827 7.260 1.00 10.22 H new ATOM 0 HZ3 LYS A 35 6.520 -2.173 7.824 1.00 10.22 H new ATOM 596 N ALA A 36 10.289 -2.612 5.186 1.00 2.10 N ATOM 597 CA ALA A 36 9.463 -3.783 4.949 1.00 34.33 C ATOM 598 C ALA A 36 8.122 -3.610 5.666 1.00 41.50 C ATOM 599 O ALA A 36 8.075 -3.536 6.893 1.00 61.11 O ATOM 600 CB ALA A 36 10.210 -5.037 5.407 1.00 5.03 C ATOM 0 H ALA A 36 11.093 -2.773 5.792 1.00 2.10 H new ATOM 0 HA ALA A 36 9.256 -3.897 3.885 1.00 34.33 H new ATOM 0 HB1 ALA A 36 9.590 -5.915 5.229 1.00 5.03 H new ATOM 0 HB2 ALA A 36 11.141 -5.131 4.848 1.00 5.03 H new ATOM 0 HB3 ALA A 36 10.432 -4.960 6.471 1.00 5.03 H new ATOM 606 N GLU A 37 7.065 -3.549 4.870 1.00 41.35 N ATOM 607 CA GLU A 37 5.727 -3.385 5.412 1.00 3.05 C ATOM 608 C GLU A 37 5.434 -4.480 6.440 1.00 75.35 C ATOM 609 O GLU A 37 4.929 -4.199 7.525 1.00 12.24 O ATOM 610 CB GLU A 37 4.679 -3.383 4.298 1.00 65.53 C ATOM 611 CG GLU A 37 4.596 -4.754 3.622 1.00 15.32 C ATOM 612 CD GLU A 37 3.809 -4.672 2.313 1.00 75.14 C ATOM 613 OE1 GLU A 37 4.293 -4.085 1.334 1.00 51.22 O ATOM 614 OE2 GLU A 37 2.654 -5.247 2.334 1.00 61.55 O ATOM 0 H GLU A 37 7.108 -3.610 3.853 1.00 41.35 H new ATOM 0 HA GLU A 37 5.675 -2.419 5.914 1.00 3.05 H new ATOM 0 HB2 GLU A 37 3.706 -3.117 4.710 1.00 65.53 H new ATOM 0 HB3 GLU A 37 4.931 -2.623 3.558 1.00 65.53 H new ATOM 0 HG2 GLU A 37 5.601 -5.127 3.424 1.00 15.32 H new ATOM 0 HG3 GLU A 37 4.118 -5.467 4.294 1.00 15.32 H new ATOM 622 N LYS A 38 5.762 -5.706 6.060 1.00 30.50 N ATOM 623 CA LYS A 38 5.540 -6.845 6.935 1.00 74.45 C ATOM 624 C LYS A 38 6.251 -6.606 8.268 1.00 51.32 C ATOM 625 O LYS A 38 5.808 -7.091 9.308 1.00 62.13 O ATOM 626 CB LYS A 38 5.956 -8.144 6.240 1.00 1.50 C ATOM 627 CG LYS A 38 5.232 -8.306 4.902 1.00 44.13 C ATOM 628 CD LYS A 38 5.499 -9.686 4.298 1.00 21.32 C ATOM 629 CE LYS A 38 5.430 -9.639 2.771 1.00 74.45 C ATOM 630 NZ LYS A 38 5.539 -11.003 2.205 1.00 44.44 N ATOM 0 H LYS A 38 6.180 -5.936 5.158 1.00 30.50 H new ATOM 0 HA LYS A 38 4.478 -6.954 7.155 1.00 74.45 H new ATOM 0 HB2 LYS A 38 7.034 -8.144 6.077 1.00 1.50 H new ATOM 0 HB3 LYS A 38 5.731 -8.994 6.885 1.00 1.50 H new ATOM 0 HG2 LYS A 38 4.160 -8.169 5.045 1.00 44.13 H new ATOM 0 HG3 LYS A 38 5.562 -7.532 4.210 1.00 44.13 H new ATOM 0 HD2 LYS A 38 6.482 -10.040 4.610 1.00 21.32 H new ATOM 0 HD3 LYS A 38 4.768 -10.400 4.677 1.00 21.32 H new ATOM 0 HE2 LYS A 38 4.491 -9.183 2.457 1.00 74.45 H new ATOM 0 HE3 LYS A 38 6.234 -9.013 2.384 1.00 74.45 H new ATOM 0 HZ1 LYS A 38 5.490 -10.953 1.167 1.00 44.44 H new ATOM 0 HZ2 LYS A 38 6.446 -11.425 2.489 1.00 44.44 H new ATOM 0 HZ3 LYS A 38 4.757 -11.590 2.560 1.00 44.44 H new ATOM 643 N SER A 39 7.342 -5.857 8.194 1.00 74.12 N ATOM 644 CA SER A 39 8.118 -5.547 9.382 1.00 65.10 C ATOM 645 C SER A 39 7.238 -4.836 10.412 1.00 43.12 C ATOM 646 O SER A 39 6.059 -4.591 10.162 1.00 0.04 O ATOM 647 CB SER A 39 9.333 -4.684 9.036 1.00 65.21 C ATOM 648 OG SER A 39 10.430 -4.931 9.912 1.00 43.32 O ATOM 0 H SER A 39 7.706 -5.456 7.330 1.00 74.12 H new ATOM 0 HA SER A 39 8.480 -6.483 9.808 1.00 65.10 H new ATOM 0 HB2 SER A 39 9.638 -4.882 8.008 1.00 65.21 H new ATOM 0 HB3 SER A 39 9.057 -3.631 9.089 1.00 65.21 H new ATOM 0 HG SER A 39 10.694 -5.873 9.848 1.00 43.32 H new ATOM 654 N ASP A 40 7.846 -4.524 11.547 1.00 34.44 N ATOM 655 CA ASP A 40 7.132 -3.846 12.616 1.00 31.21 C ATOM 656 C ASP A 40 7.935 -2.624 13.064 1.00 4.34 C ATOM 657 O ASP A 40 7.763 -2.139 14.182 1.00 40.34 O ATOM 658 CB ASP A 40 6.952 -4.764 13.827 1.00 0.31 C ATOM 659 CG ASP A 40 5.768 -5.729 13.737 1.00 1.30 C ATOM 660 OD1 ASP A 40 5.574 -6.585 14.613 1.00 62.04 O ATOM 661 OD2 ASP A 40 5.016 -5.574 12.700 1.00 0.44 O ATOM 0 H ASP A 40 8.825 -4.728 11.750 1.00 34.44 H new ATOM 0 HA ASP A 40 6.153 -3.555 12.236 1.00 31.21 H new ATOM 0 HB2 ASP A 40 7.865 -5.344 13.963 1.00 0.31 H new ATOM 0 HB3 ASP A 40 6.831 -4.147 14.717 1.00 0.31 H new ATOM 667 N ILE A 41 8.796 -2.161 12.170 1.00 42.30 N ATOM 668 CA ILE A 41 9.627 -1.004 12.459 1.00 32.15 C ATOM 669 C ILE A 41 8.923 0.261 11.965 1.00 75.24 C ATOM 670 O ILE A 41 8.102 0.201 11.050 1.00 12.44 O ATOM 671 CB ILE A 41 11.030 -1.194 11.880 1.00 50.43 C ATOM 672 CG1 ILE A 41 11.122 -0.615 10.466 1.00 10.13 C ATOM 673 CG2 ILE A 41 11.448 -2.665 11.925 1.00 11.31 C ATOM 674 CD1 ILE A 41 12.357 -1.146 9.736 1.00 41.32 C ATOM 0 H ILE A 41 8.936 -2.566 11.245 1.00 42.30 H new ATOM 0 HA ILE A 41 9.764 -0.893 13.535 1.00 32.15 H new ATOM 0 HB ILE A 41 11.734 -0.641 12.502 1.00 50.43 H new ATOM 0 HG12 ILE A 41 10.224 -0.873 9.904 1.00 10.13 H new ATOM 0 HG13 ILE A 41 11.165 0.473 10.517 1.00 10.13 H new ATOM 0 HG21 ILE A 41 12.449 -2.772 11.507 1.00 11.31 H new ATOM 0 HG22 ILE A 41 11.447 -3.012 12.958 1.00 11.31 H new ATOM 0 HG23 ILE A 41 10.746 -3.261 11.341 1.00 11.31 H new ATOM 0 HD11 ILE A 41 12.399 -0.719 8.734 1.00 41.32 H new ATOM 0 HD12 ILE A 41 13.254 -0.865 10.288 1.00 41.32 H new ATOM 0 HD13 ILE A 41 12.299 -2.232 9.666 1.00 41.32 H new ATOM 686 N PRO A 42 9.278 1.405 12.607 1.00 3.41 N ATOM 687 CA PRO A 42 8.690 2.683 12.242 1.00 74.42 C ATOM 688 C PRO A 42 9.274 3.199 10.925 1.00 14.13 C ATOM 689 O PRO A 42 10.491 3.304 10.781 1.00 73.34 O ATOM 690 CB PRO A 42 8.977 3.600 13.420 1.00 62.55 C ATOM 691 CG PRO A 42 10.111 2.944 14.191 1.00 34.44 C ATOM 692 CD PRO A 42 10.247 1.514 13.694 1.00 33.33 C ATOM 0 HA PRO A 42 7.617 2.616 12.060 1.00 74.42 H new ATOM 0 HB2 PRO A 42 9.261 4.596 13.080 1.00 62.55 H new ATOM 0 HB3 PRO A 42 8.094 3.717 14.048 1.00 62.55 H new ATOM 0 HG2 PRO A 42 11.042 3.491 14.040 1.00 34.44 H new ATOM 0 HG3 PRO A 42 9.903 2.958 15.261 1.00 34.44 H new ATOM 0 HD2 PRO A 42 11.259 1.311 13.344 1.00 33.33 H new ATOM 0 HD3 PRO A 42 10.034 0.797 14.487 1.00 33.33 H new ATOM 700 N GLU A 43 8.378 3.509 9.999 1.00 64.40 N ATOM 701 CA GLU A 43 8.790 4.012 8.699 1.00 33.13 C ATOM 702 C GLU A 43 9.697 5.233 8.866 1.00 71.44 C ATOM 703 O GLU A 43 9.847 5.753 9.970 1.00 52.21 O ATOM 704 CB GLU A 43 7.575 4.346 7.831 1.00 31.22 C ATOM 705 CG GLU A 43 7.899 4.176 6.346 1.00 43.13 C ATOM 706 CD GLU A 43 6.634 3.881 5.538 1.00 14.03 C ATOM 707 OE1 GLU A 43 5.968 2.863 5.779 1.00 31.02 O ATOM 708 OE2 GLU A 43 6.348 4.755 4.633 1.00 23.40 O ATOM 0 H GLU A 43 7.369 3.422 10.123 1.00 64.40 H new ATOM 0 HA GLU A 43 9.355 3.231 8.191 1.00 33.13 H new ATOM 0 HB2 GLU A 43 6.741 3.698 8.101 1.00 31.22 H new ATOM 0 HB3 GLU A 43 7.257 5.371 8.023 1.00 31.22 H new ATOM 0 HG2 GLU A 43 8.373 5.082 5.968 1.00 43.13 H new ATOM 0 HG3 GLU A 43 8.615 3.364 6.217 1.00 43.13 H new ATOM 716 N ILE A 44 10.279 5.654 7.752 1.00 34.13 N ATOM 717 CA ILE A 44 11.167 6.804 7.761 1.00 60.42 C ATOM 718 C ILE A 44 10.540 7.933 6.941 1.00 44.03 C ATOM 719 O ILE A 44 9.534 7.729 6.264 1.00 72.21 O ATOM 720 CB ILE A 44 12.566 6.403 7.288 1.00 51.32 C ATOM 721 CG1 ILE A 44 12.491 5.519 6.041 1.00 1.41 C ATOM 722 CG2 ILE A 44 13.356 5.737 8.416 1.00 4.40 C ATOM 723 CD1 ILE A 44 13.890 5.119 5.568 1.00 0.20 C ATOM 0 H ILE A 44 10.153 5.219 6.838 1.00 34.13 H new ATOM 0 HA ILE A 44 11.294 7.180 8.776 1.00 60.42 H new ATOM 0 HB ILE A 44 13.105 7.308 7.009 1.00 51.32 H new ATOM 0 HG12 ILE A 44 11.907 4.625 6.259 1.00 1.41 H new ATOM 0 HG13 ILE A 44 11.972 6.051 5.244 1.00 1.41 H new ATOM 0 HG21 ILE A 44 14.346 5.462 8.053 1.00 4.40 H new ATOM 0 HG22 ILE A 44 13.455 6.432 9.250 1.00 4.40 H new ATOM 0 HG23 ILE A 44 12.830 4.842 8.749 1.00 4.40 H new ATOM 0 HD11 ILE A 44 13.808 4.491 4.681 1.00 0.20 H new ATOM 0 HD12 ILE A 44 14.463 6.015 5.327 1.00 0.20 H new ATOM 0 HD13 ILE A 44 14.397 4.566 6.359 1.00 0.20 H new ATOM 735 N ASP A 45 11.162 9.100 7.028 1.00 33.13 N ATOM 736 CA ASP A 45 10.677 10.262 6.303 1.00 65.02 C ATOM 737 C ASP A 45 10.423 9.877 4.844 1.00 41.41 C ATOM 738 O ASP A 45 9.294 9.962 4.364 1.00 73.41 O ATOM 739 CB ASP A 45 11.709 11.392 6.321 1.00 71.21 C ATOM 740 CG ASP A 45 11.664 12.288 7.560 1.00 44.20 C ATOM 741 OD1 ASP A 45 10.693 13.027 7.779 1.00 30.12 O ATOM 742 OD2 ASP A 45 12.697 12.207 8.329 1.00 32.32 O ATOM 0 H ASP A 45 11.997 9.265 7.589 1.00 33.13 H new ATOM 0 HA ASP A 45 9.761 10.603 6.785 1.00 65.02 H new ATOM 0 HB2 ASP A 45 12.705 10.956 6.242 1.00 71.21 H new ATOM 0 HB3 ASP A 45 11.562 12.012 5.437 1.00 71.21 H new ATOM 748 N LYS A 46 11.492 9.464 4.179 1.00 30.44 N ATOM 749 CA LYS A 46 11.399 9.066 2.785 1.00 73.21 C ATOM 750 C LYS A 46 12.552 8.118 2.451 1.00 23.23 C ATOM 751 O LYS A 46 13.321 7.736 3.332 1.00 30.52 O ATOM 752 CB LYS A 46 11.333 10.297 1.880 1.00 44.53 C ATOM 753 CG LYS A 46 12.729 10.877 1.640 1.00 22.43 C ATOM 754 CD LYS A 46 13.345 11.380 2.947 1.00 4.20 C ATOM 755 CE LYS A 46 14.409 12.447 2.677 1.00 73.54 C ATOM 756 NZ LYS A 46 14.635 13.271 3.885 1.00 55.44 N ATOM 0 H LYS A 46 12.427 9.396 4.580 1.00 30.44 H new ATOM 0 HA LYS A 46 10.474 8.518 2.607 1.00 73.21 H new ATOM 0 HB2 LYS A 46 10.878 10.028 0.927 1.00 44.53 H new ATOM 0 HB3 LYS A 46 10.694 11.054 2.335 1.00 44.53 H new ATOM 0 HG2 LYS A 46 13.373 10.115 1.200 1.00 22.43 H new ATOM 0 HG3 LYS A 46 12.668 11.696 0.923 1.00 22.43 H new ATOM 0 HD2 LYS A 46 12.564 11.793 3.586 1.00 4.20 H new ATOM 0 HD3 LYS A 46 13.791 10.545 3.488 1.00 4.20 H new ATOM 0 HE2 LYS A 46 15.342 11.971 2.375 1.00 73.54 H new ATOM 0 HE3 LYS A 46 14.093 13.083 1.850 1.00 73.54 H new ATOM 0 HZ1 LYS A 46 15.360 13.990 3.684 1.00 55.44 H new ATOM 0 HZ2 LYS A 46 13.747 13.740 4.156 1.00 55.44 H new ATOM 0 HZ3 LYS A 46 14.957 12.663 4.665 1.00 55.44 H new ATOM 769 N ARG A 47 12.637 7.766 1.177 1.00 60.32 N ATOM 770 CA ARG A 47 13.684 6.870 0.716 1.00 71.31 C ATOM 771 C ARG A 47 14.682 7.627 -0.162 1.00 4.12 C ATOM 772 O ARG A 47 14.410 7.891 -1.332 1.00 2.00 O ATOM 773 CB ARG A 47 13.098 5.702 -0.081 1.00 3.22 C ATOM 774 CG ARG A 47 11.842 6.132 -0.841 1.00 12.44 C ATOM 775 CD ARG A 47 11.301 4.987 -1.699 1.00 1.00 C ATOM 776 NE ARG A 47 10.442 4.103 -0.880 1.00 70.11 N ATOM 777 CZ ARG A 47 9.119 4.294 -0.694 1.00 75.14 C ATOM 778 NH1 ARG A 47 8.490 5.342 -1.269 1.00 22.40 N ATOM 779 NH2 ARG A 47 8.448 3.441 0.058 1.00 41.04 N ATOM 0 H ARG A 47 11.998 8.085 0.449 1.00 60.32 H new ATOM 0 HA ARG A 47 14.194 6.476 1.595 1.00 71.31 H new ATOM 0 HB2 ARG A 47 13.842 5.327 -0.784 1.00 3.22 H new ATOM 0 HB3 ARG A 47 12.856 4.882 0.594 1.00 3.22 H new ATOM 0 HG2 ARG A 47 11.077 6.454 -0.134 1.00 12.44 H new ATOM 0 HG3 ARG A 47 12.072 6.989 -1.475 1.00 12.44 H new ATOM 0 HD2 ARG A 47 10.730 5.388 -2.537 1.00 1.00 H new ATOM 0 HD3 ARG A 47 12.128 4.415 -2.121 1.00 1.00 H new ATOM 0 HE ARG A 47 10.877 3.299 -0.428 1.00 70.11 H new ATOM 0 HH11 ARG A 47 9.015 5.996 -1.849 1.00 22.40 H new ATOM 0 HH12 ARG A 47 7.490 5.479 -1.123 1.00 22.40 H new ATOM 0 HH21 ARG A 47 8.930 2.652 0.488 1.00 41.04 H new ATOM 0 HH22 ARG A 47 7.448 3.571 0.209 1.00 41.04 H new ATOM 792 N LYS A 48 15.818 7.955 0.437 1.00 52.31 N ATOM 793 CA LYS A 48 16.858 8.677 -0.276 1.00 3.13 C ATOM 794 C LYS A 48 18.198 8.463 0.432 1.00 13.22 C ATOM 795 O LYS A 48 18.429 9.011 1.509 1.00 43.22 O ATOM 796 CB LYS A 48 16.475 10.150 -0.436 1.00 24.24 C ATOM 797 CG LYS A 48 17.345 10.831 -1.494 1.00 65.31 C ATOM 798 CD LYS A 48 16.925 12.288 -1.694 1.00 44.23 C ATOM 799 CE LYS A 48 17.992 13.065 -2.469 1.00 71.44 C ATOM 800 NZ LYS A 48 19.262 13.099 -1.710 1.00 61.25 N ATOM 0 H LYS A 48 16.041 7.734 1.408 1.00 52.31 H new ATOM 0 HA LYS A 48 16.966 8.288 -1.289 1.00 3.13 H new ATOM 0 HB2 LYS A 48 15.425 10.228 -0.718 1.00 24.24 H new ATOM 0 HB3 LYS A 48 16.587 10.664 0.518 1.00 24.24 H new ATOM 0 HG2 LYS A 48 18.391 10.789 -1.192 1.00 65.31 H new ATOM 0 HG3 LYS A 48 17.264 10.293 -2.438 1.00 65.31 H new ATOM 0 HD2 LYS A 48 15.978 12.327 -2.233 1.00 44.23 H new ATOM 0 HD3 LYS A 48 16.759 12.759 -0.725 1.00 44.23 H new ATOM 0 HE2 LYS A 48 18.155 12.600 -3.441 1.00 71.44 H new ATOM 0 HE3 LYS A 48 17.646 14.082 -2.656 1.00 71.44 H new ATOM 0 HZ1 LYS A 48 19.808 13.940 -1.985 1.00 61.25 H new ATOM 0 HZ2 LYS A 48 19.057 13.137 -0.691 1.00 61.25 H new ATOM 0 HZ3 LYS A 48 19.815 12.244 -1.920 1.00 61.25 H new ATOM 813 N TYR A 49 19.045 7.665 -0.201 1.00 53.33 N ATOM 814 CA TYR A 49 20.355 7.372 0.354 1.00 11.34 C ATOM 815 C TYR A 49 21.458 7.642 -0.671 1.00 2.32 C ATOM 816 O TYR A 49 21.784 6.775 -1.480 1.00 51.33 O ATOM 817 CB TYR A 49 20.345 5.881 0.694 1.00 32.41 C ATOM 818 CG TYR A 49 19.328 5.494 1.770 1.00 3.43 C ATOM 819 CD1 TYR A 49 18.033 5.177 1.414 1.00 0.32 C ATOM 820 CD2 TYR A 49 19.706 5.463 3.097 1.00 3.13 C ATOM 821 CE1 TYR A 49 17.076 4.814 2.427 1.00 23.21 C ATOM 822 CE2 TYR A 49 18.750 5.100 4.110 1.00 34.42 C ATOM 823 CZ TYR A 49 17.482 4.793 3.725 1.00 33.11 C ATOM 824 OH TYR A 49 16.578 4.450 4.682 1.00 61.42 O ATOM 0 H TYR A 49 18.849 7.212 -1.094 1.00 53.33 H new ATOM 0 HA TYR A 49 20.552 7.998 1.224 1.00 11.34 H new ATOM 0 HB2 TYR A 49 20.133 5.314 -0.212 1.00 32.41 H new ATOM 0 HB3 TYR A 49 21.341 5.588 1.028 1.00 32.41 H new ATOM 0 HD1 TYR A 49 17.737 5.201 0.376 1.00 0.32 H new ATOM 0 HD2 TYR A 49 20.720 5.711 3.375 1.00 3.13 H new ATOM 0 HE1 TYR A 49 16.059 4.564 2.162 1.00 23.21 H new ATOM 0 HE2 TYR A 49 19.033 5.072 5.152 1.00 34.42 H new ATOM 0 HH TYR A 49 15.921 3.829 4.304 1.00 61.42 H new ATOM 834 N LEU A 50 22.003 8.848 -0.603 1.00 11.13 N ATOM 835 CA LEU A 50 23.063 9.243 -1.515 1.00 13.11 C ATOM 836 C LEU A 50 24.419 8.965 -0.864 1.00 44.34 C ATOM 837 O LEU A 50 24.952 9.810 -0.146 1.00 32.33 O ATOM 838 CB LEU A 50 22.877 10.697 -1.954 1.00 64.00 C ATOM 839 CG LEU A 50 23.328 11.030 -3.378 1.00 1.23 C ATOM 840 CD1 LEU A 50 24.847 11.195 -3.447 1.00 44.43 C ATOM 841 CD2 LEU A 50 22.819 9.985 -4.373 1.00 11.43 C ATOM 0 H LEU A 50 21.730 9.565 0.070 1.00 11.13 H new ATOM 0 HA LEU A 50 23.021 8.651 -2.429 1.00 13.11 H new ATOM 0 HB2 LEU A 50 21.822 10.952 -1.859 1.00 64.00 H new ATOM 0 HB3 LEU A 50 23.423 11.338 -1.262 1.00 64.00 H new ATOM 0 HG LEU A 50 22.887 11.986 -3.661 1.00 1.23 H new ATOM 0 HD11 LEU A 50 25.141 11.431 -4.470 1.00 44.43 H new ATOM 0 HD12 LEU A 50 25.156 12.004 -2.785 1.00 44.43 H new ATOM 0 HD13 LEU A 50 25.328 10.268 -3.136 1.00 44.43 H new ATOM 0 HD21 LEU A 50 23.154 10.245 -5.377 1.00 11.43 H new ATOM 0 HD22 LEU A 50 23.211 9.004 -4.103 1.00 11.43 H new ATOM 0 HD23 LEU A 50 21.730 9.960 -4.349 1.00 11.43 H new ATOM 853 N VAL A 51 24.940 7.778 -1.140 1.00 11.51 N ATOM 854 CA VAL A 51 26.224 7.379 -0.591 1.00 24.25 C ATOM 855 C VAL A 51 27.251 7.284 -1.721 1.00 74.23 C ATOM 856 O VAL A 51 26.888 7.067 -2.877 1.00 24.24 O ATOM 857 CB VAL A 51 26.075 6.073 0.193 1.00 60.25 C ATOM 858 CG1 VAL A 51 25.903 6.347 1.688 1.00 61.21 C ATOM 859 CG2 VAL A 51 24.913 5.238 -0.349 1.00 53.55 C ATOM 0 H VAL A 51 24.496 7.080 -1.737 1.00 11.51 H new ATOM 0 HA VAL A 51 26.586 8.127 0.114 1.00 24.25 H new ATOM 0 HB VAL A 51 26.991 5.497 0.062 1.00 60.25 H new ATOM 0 HG11 VAL A 51 25.799 5.402 2.222 1.00 61.21 H new ATOM 0 HG12 VAL A 51 26.776 6.881 2.063 1.00 61.21 H new ATOM 0 HG13 VAL A 51 25.011 6.953 1.847 1.00 61.21 H new ATOM 0 HG21 VAL A 51 24.829 4.315 0.225 1.00 53.55 H new ATOM 0 HG22 VAL A 51 23.986 5.805 -0.263 1.00 53.55 H new ATOM 0 HG23 VAL A 51 25.095 4.998 -1.396 1.00 53.55 H new ATOM 869 N PRO A 52 28.544 7.456 -1.339 1.00 64.52 N ATOM 870 CA PRO A 52 29.626 7.391 -2.308 1.00 14.43 C ATOM 871 C PRO A 52 29.904 5.946 -2.724 1.00 21.42 C ATOM 872 O PRO A 52 29.334 5.013 -2.160 1.00 25.24 O ATOM 873 CB PRO A 52 30.810 8.050 -1.619 1.00 50.04 C ATOM 874 CG PRO A 52 30.487 8.040 -0.134 1.00 63.20 C ATOM 875 CD PRO A 52 29.011 7.714 0.020 1.00 54.21 C ATOM 0 HA PRO A 52 29.388 7.904 -3.240 1.00 14.43 H new ATOM 0 HB2 PRO A 52 31.732 7.506 -1.822 1.00 50.04 H new ATOM 0 HB3 PRO A 52 30.955 9.068 -1.980 1.00 50.04 H new ATOM 0 HG2 PRO A 52 31.097 7.300 0.384 1.00 63.20 H new ATOM 0 HG3 PRO A 52 30.713 9.009 0.312 1.00 63.20 H new ATOM 0 HD2 PRO A 52 28.862 6.845 0.661 1.00 54.21 H new ATOM 0 HD3 PRO A 52 28.468 8.543 0.475 1.00 54.21 H new ATOM 883 N ALA A 53 30.780 5.805 -3.708 1.00 23.04 N ATOM 884 CA ALA A 53 31.141 4.489 -4.206 1.00 24.43 C ATOM 885 C ALA A 53 32.334 3.956 -3.409 1.00 32.13 C ATOM 886 O ALA A 53 33.025 3.042 -3.855 1.00 62.05 O ATOM 887 CB ALA A 53 31.433 4.572 -5.705 1.00 41.43 C ATOM 0 H ALA A 53 31.250 6.581 -4.174 1.00 23.04 H new ATOM 0 HA ALA A 53 30.316 3.789 -4.073 1.00 24.43 H new ATOM 0 HB1 ALA A 53 31.704 3.584 -6.078 1.00 41.43 H new ATOM 0 HB2 ALA A 53 30.546 4.927 -6.229 1.00 41.43 H new ATOM 0 HB3 ALA A 53 32.258 5.264 -5.877 1.00 41.43 H new ATOM 893 N ASP A 54 32.538 4.550 -2.242 1.00 50.23 N ATOM 894 CA ASP A 54 33.635 4.147 -1.379 1.00 31.13 C ATOM 895 C ASP A 54 33.078 3.728 -0.016 1.00 43.34 C ATOM 896 O ASP A 54 33.833 3.341 0.874 1.00 62.40 O ATOM 897 CB ASP A 54 34.613 5.302 -1.155 1.00 61.22 C ATOM 898 CG ASP A 54 34.810 6.225 -2.359 1.00 71.15 C ATOM 899 OD1 ASP A 54 34.456 7.413 -2.318 1.00 65.31 O ATOM 900 OD2 ASP A 54 35.359 5.671 -3.387 1.00 20.11 O ATOM 0 H ASP A 54 31.962 5.307 -1.874 1.00 50.23 H new ATOM 0 HA ASP A 54 34.157 3.321 -1.861 1.00 31.13 H new ATOM 0 HB2 ASP A 54 34.261 5.898 -0.313 1.00 61.22 H new ATOM 0 HB3 ASP A 54 35.581 4.889 -0.871 1.00 61.22 H new ATOM 906 N LEU A 55 31.762 3.821 0.103 1.00 21.11 N ATOM 907 CA LEU A 55 31.096 3.457 1.342 1.00 73.41 C ATOM 908 C LEU A 55 30.711 1.977 1.293 1.00 72.41 C ATOM 909 O LEU A 55 30.569 1.404 0.214 1.00 62.14 O ATOM 910 CB LEU A 55 29.914 4.391 1.609 1.00 32.23 C ATOM 911 CG LEU A 55 28.998 3.999 2.771 1.00 25.10 C ATOM 912 CD1 LEU A 55 28.393 5.238 3.434 1.00 21.40 C ATOM 913 CD2 LEU A 55 27.924 3.011 2.313 1.00 72.10 C ATOM 0 H LEU A 55 31.139 4.143 -0.638 1.00 21.11 H new ATOM 0 HA LEU A 55 31.771 3.584 2.189 1.00 73.41 H new ATOM 0 HB2 LEU A 55 30.303 5.391 1.800 1.00 32.23 H new ATOM 0 HB3 LEU A 55 29.312 4.451 0.702 1.00 32.23 H new ATOM 0 HG LEU A 55 29.600 3.492 3.525 1.00 25.10 H new ATOM 0 HD11 LEU A 55 27.746 4.932 4.256 1.00 21.40 H new ATOM 0 HD12 LEU A 55 29.192 5.872 3.818 1.00 21.40 H new ATOM 0 HD13 LEU A 55 27.809 5.794 2.701 1.00 21.40 H new ATOM 0 HD21 LEU A 55 27.287 2.749 3.158 1.00 72.10 H new ATOM 0 HD22 LEU A 55 27.319 3.468 1.530 1.00 72.10 H new ATOM 0 HD23 LEU A 55 28.400 2.111 1.924 1.00 72.10 H new ATOM 925 N THR A 56 30.553 1.400 2.475 1.00 34.20 N ATOM 926 CA THR A 56 30.187 -0.003 2.581 1.00 51.55 C ATOM 927 C THR A 56 28.759 -0.143 3.110 1.00 15.34 C ATOM 928 O THR A 56 28.213 0.795 3.690 1.00 31.34 O ATOM 929 CB THR A 56 31.231 -0.699 3.456 1.00 52.30 C ATOM 930 OG1 THR A 56 30.891 -0.304 4.782 1.00 12.12 O ATOM 931 CG2 THR A 56 32.638 -0.136 3.249 1.00 43.32 C ATOM 0 H THR A 56 30.672 1.878 3.368 1.00 34.20 H new ATOM 0 HA THR A 56 30.186 -0.487 1.604 1.00 51.55 H new ATOM 0 HB THR A 56 31.232 -1.767 3.239 1.00 52.30 H new ATOM 0 HG1 THR A 56 30.550 -1.078 5.277 1.00 12.12 H new ATOM 0 HG21 THR A 56 33.340 -0.665 3.894 1.00 43.32 H new ATOM 0 HG22 THR A 56 32.933 -0.266 2.208 1.00 43.32 H new ATOM 0 HG23 THR A 56 32.646 0.925 3.498 1.00 43.32 H new ATOM 939 N VAL A 57 28.194 -1.321 2.892 1.00 35.10 N ATOM 940 CA VAL A 57 26.839 -1.596 3.340 1.00 20.23 C ATOM 941 C VAL A 57 26.706 -1.210 4.815 1.00 51.44 C ATOM 942 O VAL A 57 25.727 -0.577 5.208 1.00 4.42 O ATOM 943 CB VAL A 57 26.486 -3.061 3.072 1.00 3.31 C ATOM 944 CG1 VAL A 57 25.110 -3.406 3.643 1.00 33.51 C ATOM 945 CG2 VAL A 57 26.555 -3.376 1.577 1.00 73.05 C ATOM 0 H VAL A 57 28.650 -2.096 2.411 1.00 35.10 H new ATOM 0 HA VAL A 57 26.123 -0.995 2.780 1.00 20.23 H new ATOM 0 HB VAL A 57 27.224 -3.682 3.579 1.00 3.31 H new ATOM 0 HG11 VAL A 57 24.883 -4.452 3.439 1.00 33.51 H new ATOM 0 HG12 VAL A 57 25.110 -3.238 4.720 1.00 33.51 H new ATOM 0 HG13 VAL A 57 24.354 -2.774 3.178 1.00 33.51 H new ATOM 0 HG21 VAL A 57 26.300 -4.423 1.414 1.00 73.05 H new ATOM 0 HG22 VAL A 57 25.850 -2.742 1.039 1.00 73.05 H new ATOM 0 HG23 VAL A 57 27.564 -3.187 1.212 1.00 73.05 H new ATOM 955 N GLY A 58 27.704 -1.606 5.590 1.00 63.51 N ATOM 956 CA GLY A 58 27.711 -1.309 7.012 1.00 21.42 C ATOM 957 C GLY A 58 27.173 0.097 7.281 1.00 2.51 C ATOM 958 O GLY A 58 26.163 0.260 7.965 1.00 64.34 O ATOM 0 H GLY A 58 28.514 -2.130 5.260 1.00 63.51 H new ATOM 0 HA2 GLY A 58 27.104 -2.042 7.543 1.00 21.42 H new ATOM 0 HA3 GLY A 58 28.726 -1.394 7.400 1.00 21.42 H new ATOM 962 N GLN A 59 27.872 1.079 6.730 1.00 73.15 N ATOM 963 CA GLN A 59 27.477 2.467 6.901 1.00 31.32 C ATOM 964 C GLN A 59 25.978 2.629 6.639 1.00 22.43 C ATOM 965 O GLN A 59 25.292 3.348 7.363 1.00 11.05 O ATOM 966 CB GLN A 59 28.295 3.386 5.992 1.00 32.00 C ATOM 967 CG GLN A 59 29.793 3.229 6.259 1.00 42.31 C ATOM 968 CD GLN A 59 30.571 4.444 5.749 1.00 52.32 C ATOM 969 OE1 GLN A 59 31.450 4.161 4.791 1.00 23.51 O flip ATOM 970 NE2 GLN A 59 30.385 5.565 6.195 1.00 14.24 N flip ATOM 0 H GLN A 59 28.710 0.941 6.165 1.00 73.15 H new ATOM 0 HA GLN A 59 27.679 2.757 7.932 1.00 31.32 H new ATOM 0 HB2 GLN A 59 28.082 3.155 4.948 1.00 32.00 H new ATOM 0 HB3 GLN A 59 27.999 4.422 6.156 1.00 32.00 H new ATOM 0 HG2 GLN A 59 29.964 3.106 7.328 1.00 42.31 H new ATOM 0 HG3 GLN A 59 30.160 2.326 5.771 1.00 42.31 H new ATOM 0 HE21 GLN A 59 29.694 5.713 6.931 1.00 14.24 H new ATOM 0 HE22 GLN A 59 30.920 6.354 5.832 1.00 14.24 H new ATOM 979 N PHE A 60 25.514 1.948 5.602 1.00 63.43 N ATOM 980 CA PHE A 60 24.109 2.007 5.235 1.00 25.22 C ATOM 981 C PHE A 60 23.223 1.515 6.381 1.00 53.10 C ATOM 982 O PHE A 60 22.129 2.037 6.592 1.00 2.34 O ATOM 983 CB PHE A 60 23.923 1.084 4.029 1.00 34.03 C ATOM 984 CG PHE A 60 22.735 1.456 3.139 1.00 1.01 C ATOM 985 CD1 PHE A 60 22.892 2.367 2.142 1.00 40.13 C ATOM 986 CD2 PHE A 60 21.523 0.876 3.345 1.00 35.43 C ATOM 987 CE1 PHE A 60 21.790 2.712 1.316 1.00 51.45 C ATOM 988 CE2 PHE A 60 20.420 1.221 2.519 1.00 25.22 C ATOM 989 CZ PHE A 60 20.577 2.132 1.522 1.00 64.13 C ATOM 0 H PHE A 60 26.086 1.352 5.004 1.00 63.43 H new ATOM 0 HA PHE A 60 23.826 3.035 5.008 1.00 25.22 H new ATOM 0 HB2 PHE A 60 24.833 1.099 3.429 1.00 34.03 H new ATOM 0 HB3 PHE A 60 23.792 0.062 4.383 1.00 34.03 H new ATOM 0 HD1 PHE A 60 23.855 2.828 1.978 1.00 40.13 H new ATOM 0 HD2 PHE A 60 21.399 0.152 4.137 1.00 35.43 H new ATOM 0 HE1 PHE A 60 21.915 3.435 0.524 1.00 51.45 H new ATOM 0 HE2 PHE A 60 19.457 0.760 2.683 1.00 25.22 H new ATOM 0 HZ PHE A 60 19.739 2.395 0.894 1.00 64.13 H new ATOM 999 N VAL A 61 23.727 0.516 7.090 1.00 0.24 N ATOM 1000 CA VAL A 61 22.994 -0.052 8.209 1.00 3.23 C ATOM 1001 C VAL A 61 22.961 0.959 9.357 1.00 14.22 C ATOM 1002 O VAL A 61 22.157 0.830 10.280 1.00 61.05 O ATOM 1003 CB VAL A 61 23.611 -1.393 8.612 1.00 52.02 C ATOM 1004 CG1 VAL A 61 22.664 -2.181 9.519 1.00 61.42 C ATOM 1005 CG2 VAL A 61 23.997 -2.211 7.378 1.00 74.31 C ATOM 0 H VAL A 61 24.634 0.085 6.912 1.00 0.24 H new ATOM 0 HA VAL A 61 21.962 -0.256 7.925 1.00 3.23 H new ATOM 0 HB VAL A 61 24.521 -1.188 9.176 1.00 52.02 H new ATOM 0 HG11 VAL A 61 23.126 -3.130 9.791 1.00 61.42 H new ATOM 0 HG12 VAL A 61 22.461 -1.604 10.421 1.00 61.42 H new ATOM 0 HG13 VAL A 61 21.729 -2.371 8.992 1.00 61.42 H new ATOM 0 HG21 VAL A 61 24.433 -3.159 7.692 1.00 74.31 H new ATOM 0 HG22 VAL A 61 23.109 -2.402 6.776 1.00 74.31 H new ATOM 0 HG23 VAL A 61 24.724 -1.655 6.786 1.00 74.31 H new ATOM 1015 N TYR A 62 23.843 1.943 9.263 1.00 50.01 N ATOM 1016 CA TYR A 62 23.924 2.976 10.282 1.00 24.50 C ATOM 1017 C TYR A 62 22.926 4.101 10.003 1.00 33.25 C ATOM 1018 O TYR A 62 22.012 4.334 10.793 1.00 1.32 O ATOM 1019 CB TYR A 62 25.345 3.538 10.200 1.00 54.34 C ATOM 1020 CG TYR A 62 25.901 4.021 11.540 1.00 3.43 C ATOM 1021 CD1 TYR A 62 26.324 3.106 12.482 1.00 20.54 C ATOM 1022 CD2 TYR A 62 25.981 5.373 11.808 1.00 73.02 C ATOM 1023 CE1 TYR A 62 26.848 3.560 13.744 1.00 11.22 C ATOM 1024 CE2 TYR A 62 26.505 5.828 13.070 1.00 74.33 C ATOM 1025 CZ TYR A 62 26.912 4.899 13.976 1.00 64.14 C ATOM 1026 OH TYR A 62 27.407 5.328 15.167 1.00 2.34 O ATOM 0 H TYR A 62 24.508 2.047 8.497 1.00 50.01 H new ATOM 0 HA TYR A 62 23.693 2.565 11.265 1.00 24.50 H new ATOM 0 HB2 TYR A 62 26.006 2.769 9.800 1.00 54.34 H new ATOM 0 HB3 TYR A 62 25.356 4.368 9.493 1.00 54.34 H new ATOM 0 HD1 TYR A 62 26.262 2.048 12.273 1.00 20.54 H new ATOM 0 HD2 TYR A 62 25.650 6.090 11.071 1.00 73.02 H new ATOM 0 HE1 TYR A 62 27.183 2.854 14.489 1.00 11.22 H new ATOM 0 HE2 TYR A 62 26.573 6.883 13.292 1.00 74.33 H new ATOM 0 HH TYR A 62 27.394 6.308 15.193 1.00 2.34 H new ATOM 1036 N VAL A 63 23.134 4.768 8.878 1.00 12.20 N ATOM 1037 CA VAL A 63 22.263 5.863 8.485 1.00 2.35 C ATOM 1038 C VAL A 63 20.805 5.451 8.698 1.00 41.22 C ATOM 1039 O VAL A 63 20.022 6.203 9.276 1.00 53.03 O ATOM 1040 CB VAL A 63 22.563 6.279 7.044 1.00 40.31 C ATOM 1041 CG1 VAL A 63 23.877 7.058 6.960 1.00 23.01 C ATOM 1042 CG2 VAL A 63 22.586 5.063 6.116 1.00 51.11 C ATOM 0 H VAL A 63 23.893 4.572 8.226 1.00 12.20 H new ATOM 0 HA VAL A 63 22.447 6.739 9.107 1.00 2.35 H new ATOM 0 HB VAL A 63 21.761 6.939 6.712 1.00 40.31 H new ATOM 0 HG11 VAL A 63 24.066 7.342 5.925 1.00 23.01 H new ATOM 0 HG12 VAL A 63 23.808 7.955 7.575 1.00 23.01 H new ATOM 0 HG13 VAL A 63 24.694 6.433 7.320 1.00 23.01 H new ATOM 0 HG21 VAL A 63 22.801 5.387 5.098 1.00 51.11 H new ATOM 0 HG22 VAL A 63 23.357 4.368 6.447 1.00 51.11 H new ATOM 0 HG23 VAL A 63 21.616 4.567 6.142 1.00 51.11 H new ATOM 1052 N ILE A 64 20.485 4.258 8.219 1.00 41.12 N ATOM 1053 CA ILE A 64 19.135 3.737 8.349 1.00 71.00 C ATOM 1054 C ILE A 64 18.749 3.697 9.829 1.00 71.41 C ATOM 1055 O ILE A 64 17.829 4.394 10.253 1.00 34.33 O ATOM 1056 CB ILE A 64 19.012 2.384 7.644 1.00 4.43 C ATOM 1057 CG1 ILE A 64 18.655 2.566 6.168 1.00 74.22 C ATOM 1058 CG2 ILE A 64 18.016 1.477 8.369 1.00 53.25 C ATOM 1059 CD1 ILE A 64 19.911 2.563 5.295 1.00 40.22 C ATOM 0 H ILE A 64 21.138 3.637 7.740 1.00 41.12 H new ATOM 0 HA ILE A 64 18.423 4.395 7.851 1.00 71.00 H new ATOM 0 HB ILE A 64 19.982 1.889 7.681 1.00 4.43 H new ATOM 0 HG12 ILE A 64 17.986 1.766 5.851 1.00 74.22 H new ATOM 0 HG13 ILE A 64 18.117 3.504 6.034 1.00 74.22 H new ATOM 0 HG21 ILE A 64 17.947 0.522 7.848 1.00 53.25 H new ATOM 0 HG22 ILE A 64 18.355 1.309 9.391 1.00 53.25 H new ATOM 0 HG23 ILE A 64 17.036 1.953 8.385 1.00 53.25 H new ATOM 0 HD11 ILE A 64 19.628 2.694 4.250 1.00 40.22 H new ATOM 0 HD12 ILE A 64 20.567 3.379 5.599 1.00 40.22 H new ATOM 0 HD13 ILE A 64 20.434 1.614 5.413 1.00 40.22 H new ATOM 1071 N ARG A 65 19.472 2.873 10.574 1.00 52.41 N ATOM 1072 CA ARG A 65 19.217 2.733 11.997 1.00 34.04 C ATOM 1073 C ARG A 65 19.024 4.108 12.640 1.00 24.04 C ATOM 1074 O ARG A 65 18.335 4.233 13.652 1.00 45.44 O ATOM 1075 CB ARG A 65 20.369 2.008 12.695 1.00 45.22 C ATOM 1076 CG ARG A 65 19.890 1.319 13.974 1.00 60.01 C ATOM 1077 CD ARG A 65 20.995 0.448 14.575 1.00 43.21 C ATOM 1078 NE ARG A 65 21.663 -0.330 13.508 1.00 74.43 N ATOM 1079 CZ ARG A 65 22.932 -0.783 13.582 1.00 22.24 C ATOM 1080 NH1 ARG A 65 23.684 -0.538 14.677 1.00 72.22 N ATOM 1081 NH2 ARG A 65 23.428 -1.469 12.569 1.00 32.12 N ATOM 0 H ARG A 65 20.234 2.296 10.218 1.00 52.41 H new ATOM 0 HA ARG A 65 18.308 2.143 12.114 1.00 34.04 H new ATOM 0 HB2 ARG A 65 20.800 1.269 12.020 1.00 45.22 H new ATOM 0 HB3 ARG A 65 21.159 2.720 12.935 1.00 45.22 H new ATOM 0 HG2 ARG A 65 19.578 2.069 14.700 1.00 60.01 H new ATOM 0 HG3 ARG A 65 19.017 0.705 13.755 1.00 60.01 H new ATOM 0 HD2 ARG A 65 21.723 1.074 15.090 1.00 43.21 H new ATOM 0 HD3 ARG A 65 20.573 -0.228 15.319 1.00 43.21 H new ATOM 0 HE ARG A 65 21.130 -0.537 12.663 1.00 74.43 H new ATOM 0 HH11 ARG A 65 23.293 -0.007 15.456 1.00 72.22 H new ATOM 0 HH12 ARG A 65 24.642 -0.884 14.725 1.00 72.22 H new ATOM 0 HH21 ARG A 65 22.854 -1.650 11.746 1.00 32.12 H new ATOM 0 HH22 ARG A 65 24.386 -1.818 12.610 1.00 32.12 H new ATOM 1094 N LYS A 66 19.646 5.105 12.027 1.00 33.42 N ATOM 1095 CA LYS A 66 19.552 6.466 12.527 1.00 34.32 C ATOM 1096 C LYS A 66 18.227 7.081 12.072 1.00 12.22 C ATOM 1097 O LYS A 66 17.543 7.739 12.855 1.00 52.25 O ATOM 1098 CB LYS A 66 20.781 7.276 12.111 1.00 61.41 C ATOM 1099 CG LYS A 66 22.040 6.761 12.812 1.00 12.03 C ATOM 1100 CD LYS A 66 21.839 6.707 14.328 1.00 24.41 C ATOM 1101 CE LYS A 66 21.199 7.997 14.843 1.00 35.11 C ATOM 1102 NZ LYS A 66 21.046 7.949 16.314 1.00 24.45 N ATOM 0 H LYS A 66 20.217 4.997 11.189 1.00 33.42 H new ATOM 0 HA LYS A 66 19.549 6.472 13.617 1.00 34.32 H new ATOM 0 HB2 LYS A 66 20.912 7.216 11.031 1.00 61.41 H new ATOM 0 HB3 LYS A 66 20.628 8.327 12.356 1.00 61.41 H new ATOM 0 HG2 LYS A 66 22.288 5.767 12.439 1.00 12.03 H new ATOM 0 HG3 LYS A 66 22.883 7.410 12.576 1.00 12.03 H new ATOM 0 HD2 LYS A 66 21.208 5.856 14.585 1.00 24.41 H new ATOM 0 HD3 LYS A 66 22.799 6.552 14.820 1.00 24.41 H new ATOM 0 HE2 LYS A 66 21.815 8.852 14.563 1.00 35.11 H new ATOM 0 HE3 LYS A 66 20.225 8.139 14.375 1.00 35.11 H new ATOM 0 HZ1 LYS A 66 20.610 8.833 16.647 1.00 24.45 H new ATOM 0 HZ2 LYS A 66 20.440 7.145 16.574 1.00 24.45 H new ATOM 0 HZ3 LYS A 66 21.980 7.836 16.757 1.00 24.45 H new ATOM 1115 N ARG A 67 17.905 6.845 10.809 1.00 54.41 N ATOM 1116 CA ARG A 67 16.674 7.368 10.240 1.00 11.43 C ATOM 1117 C ARG A 67 15.464 6.823 11.001 1.00 12.14 C ATOM 1118 O ARG A 67 14.412 7.460 11.041 1.00 43.02 O ATOM 1119 CB ARG A 67 16.548 6.995 8.762 1.00 42.42 C ATOM 1120 CG ARG A 67 17.105 8.105 7.867 1.00 20.32 C ATOM 1121 CD ARG A 67 16.003 9.083 7.457 1.00 12.51 C ATOM 1122 NE ARG A 67 16.516 10.026 6.438 1.00 61.43 N ATOM 1123 CZ ARG A 67 17.235 11.132 6.723 1.00 24.33 C ATOM 1124 NH1 ARG A 67 17.533 11.444 8.003 1.00 52.25 N ATOM 1125 NH2 ARG A 67 17.643 11.903 5.733 1.00 44.20 N ATOM 0 H ARG A 67 18.475 6.299 10.163 1.00 54.41 H new ATOM 0 HA ARG A 67 16.704 8.454 10.328 1.00 11.43 H new ATOM 0 HB2 ARG A 67 17.084 6.065 8.571 1.00 42.42 H new ATOM 0 HB3 ARG A 67 15.501 6.816 8.516 1.00 42.42 H new ATOM 0 HG2 ARG A 67 17.894 8.641 8.395 1.00 20.32 H new ATOM 0 HG3 ARG A 67 17.557 7.667 6.977 1.00 20.32 H new ATOM 0 HD2 ARG A 67 15.149 8.535 7.060 1.00 12.51 H new ATOM 0 HD3 ARG A 67 15.651 9.634 8.329 1.00 12.51 H new ATOM 0 HE ARG A 67 16.313 9.827 5.458 1.00 61.43 H new ATOM 0 HH11 ARG A 67 17.214 10.842 8.762 1.00 52.25 H new ATOM 0 HH12 ARG A 67 18.077 12.282 8.210 1.00 52.25 H new ATOM 0 HH21 ARG A 67 17.414 11.660 4.769 1.00 44.20 H new ATOM 0 HH22 ARG A 67 18.187 12.742 5.931 1.00 44.20 H new ATOM 1138 N ILE A 68 15.653 5.650 11.587 1.00 31.21 N ATOM 1139 CA ILE A 68 14.590 5.012 12.345 1.00 70.31 C ATOM 1140 C ILE A 68 14.914 5.094 13.838 1.00 54.10 C ATOM 1141 O ILE A 68 14.076 4.766 14.677 1.00 3.23 O ATOM 1142 CB ILE A 68 14.357 3.585 11.844 1.00 61.10 C ATOM 1143 CG1 ILE A 68 15.665 2.952 11.364 1.00 31.24 C ATOM 1144 CG2 ILE A 68 13.275 3.553 10.763 1.00 13.11 C ATOM 1145 CD1 ILE A 68 15.556 1.426 11.331 1.00 13.12 C ATOM 0 H ILE A 68 16.527 5.125 11.552 1.00 31.21 H new ATOM 0 HA ILE A 68 13.647 5.537 12.194 1.00 70.31 H new ATOM 0 HB ILE A 68 13.996 2.985 12.679 1.00 61.10 H new ATOM 0 HG12 ILE A 68 15.910 3.324 10.369 1.00 31.24 H new ATOM 0 HG13 ILE A 68 16.480 3.248 12.024 1.00 31.24 H new ATOM 0 HG21 ILE A 68 13.129 2.527 10.424 1.00 13.11 H new ATOM 0 HG22 ILE A 68 12.340 3.936 11.172 1.00 13.11 H new ATOM 0 HG23 ILE A 68 13.583 4.173 9.921 1.00 13.11 H new ATOM 0 HD11 ILE A 68 16.499 1.001 10.986 1.00 13.12 H new ATOM 0 HD12 ILE A 68 15.335 1.055 12.332 1.00 13.12 H new ATOM 0 HD13 ILE A 68 14.756 1.133 10.651 1.00 13.12 H new ATOM 1157 N MET A 69 16.130 5.534 14.124 1.00 62.12 N ATOM 1158 CA MET A 69 16.575 5.664 15.501 1.00 31.40 C ATOM 1159 C MET A 69 16.103 4.477 16.344 1.00 61.24 C ATOM 1160 O MET A 69 15.514 4.661 17.408 1.00 41.45 O ATOM 1161 CB MET A 69 16.025 6.962 16.095 1.00 43.11 C ATOM 1162 CG MET A 69 14.496 6.982 16.048 1.00 20.05 C ATOM 1163 SD MET A 69 13.875 8.375 16.977 1.00 62.44 S ATOM 1164 CE MET A 69 15.039 9.629 16.468 1.00 14.33 C ATOM 0 H MET A 69 16.822 5.805 13.425 1.00 62.12 H new ATOM 0 HA MET A 69 17.665 5.683 15.511 1.00 31.40 H new ATOM 0 HB2 MET A 69 16.362 7.066 17.126 1.00 43.11 H new ATOM 0 HB3 MET A 69 16.421 7.815 15.543 1.00 43.11 H new ATOM 0 HG2 MET A 69 14.156 7.043 15.014 1.00 20.05 H new ATOM 0 HG3 MET A 69 14.099 6.054 16.459 1.00 20.05 H new ATOM 0 HE1 MET A 69 14.654 10.613 16.735 1.00 14.33 H new ATOM 0 HE2 MET A 69 15.993 9.465 16.969 1.00 14.33 H new ATOM 0 HE3 MET A 69 15.182 9.576 15.389 1.00 14.33 H new ATOM 1174 N LEU A 70 16.380 3.285 15.836 1.00 34.40 N ATOM 1175 CA LEU A 70 15.991 2.068 16.529 1.00 71.24 C ATOM 1176 C LEU A 70 16.746 1.978 17.856 1.00 11.43 C ATOM 1177 O LEU A 70 17.734 2.682 18.061 1.00 30.32 O ATOM 1178 CB LEU A 70 16.190 0.850 15.624 1.00 23.35 C ATOM 1179 CG LEU A 70 14.999 0.465 14.745 1.00 33.23 C ATOM 1180 CD1 LEU A 70 15.402 -0.579 13.702 1.00 33.42 C ATOM 1181 CD2 LEU A 70 13.817 -0.003 15.597 1.00 10.43 C ATOM 0 H LEU A 70 16.869 3.136 14.953 1.00 34.40 H new ATOM 0 HA LEU A 70 14.928 2.089 16.768 1.00 71.24 H new ATOM 0 HB2 LEU A 70 17.047 1.039 14.978 1.00 23.35 H new ATOM 0 HB3 LEU A 70 16.445 -0.005 16.250 1.00 23.35 H new ATOM 0 HG LEU A 70 14.674 1.353 14.203 1.00 33.23 H new ATOM 0 HD11 LEU A 70 14.537 -0.835 13.090 1.00 33.42 H new ATOM 0 HD12 LEU A 70 16.189 -0.173 13.066 1.00 33.42 H new ATOM 0 HD13 LEU A 70 15.768 -1.474 14.205 1.00 33.42 H new ATOM 0 HD21 LEU A 70 12.984 -0.271 14.947 1.00 10.43 H new ATOM 0 HD22 LEU A 70 14.113 -0.872 16.184 1.00 10.43 H new ATOM 0 HD23 LEU A 70 13.511 0.800 16.267 1.00 10.43 H new ATOM 1193 N PRO A 71 16.239 1.084 18.747 1.00 53.42 N ATOM 1194 CA PRO A 71 16.854 0.894 20.049 1.00 23.11 C ATOM 1195 C PRO A 71 18.152 0.092 19.930 1.00 32.22 C ATOM 1196 O PRO A 71 18.350 -0.635 18.958 1.00 73.01 O ATOM 1197 CB PRO A 71 15.797 0.192 20.885 1.00 13.23 C ATOM 1198 CG PRO A 71 14.807 -0.399 19.895 1.00 55.32 C ATOM 1199 CD PRO A 71 15.070 0.234 18.538 1.00 1.44 C ATOM 0 HA PRO A 71 17.152 1.833 20.515 1.00 23.11 H new ATOM 0 HB2 PRO A 71 16.242 -0.587 21.504 1.00 13.23 H new ATOM 0 HB3 PRO A 71 15.304 0.892 21.559 1.00 13.23 H new ATOM 0 HG2 PRO A 71 14.922 -1.481 19.840 1.00 55.32 H new ATOM 0 HG3 PRO A 71 13.784 -0.203 20.216 1.00 55.32 H new ATOM 0 HD2 PRO A 71 15.262 -0.523 17.778 1.00 1.44 H new ATOM 0 HD3 PRO A 71 14.213 0.816 18.199 1.00 1.44 H new ATOM 1207 N PRO A 72 19.025 0.255 20.960 1.00 12.12 N ATOM 1208 CA PRO A 72 20.298 -0.445 20.981 1.00 73.25 C ATOM 1209 C PRO A 72 20.106 -1.922 21.332 1.00 54.11 C ATOM 1210 O PRO A 72 21.073 -2.678 21.400 1.00 60.51 O ATOM 1211 CB PRO A 72 21.142 0.303 21.999 1.00 21.12 C ATOM 1212 CG PRO A 72 20.164 1.101 22.846 1.00 71.02 C ATOM 1213 CD PRO A 72 18.824 1.108 22.128 1.00 20.43 C ATOM 0 HA PRO A 72 20.789 -0.455 20.008 1.00 73.25 H new ATOM 0 HB2 PRO A 72 21.717 -0.389 22.614 1.00 21.12 H new ATOM 0 HB3 PRO A 72 21.858 0.960 21.505 1.00 21.12 H new ATOM 0 HG2 PRO A 72 20.064 0.656 23.836 1.00 71.02 H new ATOM 0 HG3 PRO A 72 20.526 2.119 22.989 1.00 71.02 H new ATOM 0 HD2 PRO A 72 18.030 0.723 22.768 1.00 20.43 H new ATOM 0 HD3 PRO A 72 18.536 2.118 21.836 1.00 20.43 H new ATOM 1221 N GLU A 73 18.850 -2.288 21.546 1.00 43.21 N ATOM 1222 CA GLU A 73 18.519 -3.660 21.888 1.00 31.44 C ATOM 1223 C GLU A 73 17.990 -4.402 20.659 1.00 44.44 C ATOM 1224 O GLU A 73 17.914 -5.629 20.655 1.00 75.31 O ATOM 1225 CB GLU A 73 17.507 -3.710 23.035 1.00 24.42 C ATOM 1226 CG GLU A 73 17.759 -2.582 24.038 1.00 61.41 C ATOM 1227 CD GLU A 73 17.062 -2.867 25.370 1.00 71.13 C ATOM 1228 OE1 GLU A 73 17.598 -3.612 26.204 1.00 43.24 O ATOM 1229 OE2 GLU A 73 15.922 -2.282 25.525 1.00 65.44 O ATOM 0 H GLU A 73 18.050 -1.658 21.489 1.00 43.21 H new ATOM 0 HA GLU A 73 19.428 -4.158 22.226 1.00 31.44 H new ATOM 0 HB2 GLU A 73 16.496 -3.628 22.636 1.00 24.42 H new ATOM 0 HB3 GLU A 73 17.573 -4.673 23.541 1.00 24.42 H new ATOM 0 HG2 GLU A 73 18.831 -2.468 24.201 1.00 61.41 H new ATOM 0 HG3 GLU A 73 17.397 -1.639 23.629 1.00 61.41 H new ATOM 1237 N LYS A 74 17.640 -3.625 19.644 1.00 11.33 N ATOM 1238 CA LYS A 74 17.121 -4.192 18.411 1.00 30.24 C ATOM 1239 C LYS A 74 18.268 -4.368 17.414 1.00 74.51 C ATOM 1240 O LYS A 74 19.412 -4.030 17.712 1.00 20.21 O ATOM 1241 CB LYS A 74 15.965 -3.344 17.876 1.00 21.53 C ATOM 1242 CG LYS A 74 14.622 -3.851 18.407 1.00 43.13 C ATOM 1243 CD LYS A 74 13.506 -3.616 17.387 1.00 1.10 C ATOM 1244 CE LYS A 74 13.305 -4.847 16.501 1.00 41.22 C ATOM 1245 NZ LYS A 74 14.611 -5.401 16.080 1.00 42.05 N ATOM 0 H LYS A 74 17.706 -2.607 19.651 1.00 11.33 H new ATOM 0 HA LYS A 74 16.702 -5.181 18.593 1.00 30.24 H new ATOM 0 HB2 LYS A 74 16.107 -2.304 18.169 1.00 21.53 H new ATOM 0 HB3 LYS A 74 15.963 -3.371 16.786 1.00 21.53 H new ATOM 0 HG2 LYS A 74 14.695 -4.915 18.634 1.00 43.13 H new ATOM 0 HG3 LYS A 74 14.380 -3.342 19.340 1.00 43.13 H new ATOM 0 HD2 LYS A 74 12.577 -3.382 17.907 1.00 1.10 H new ATOM 0 HD3 LYS A 74 13.751 -2.753 16.767 1.00 1.10 H new ATOM 0 HE2 LYS A 74 12.740 -5.605 17.044 1.00 41.22 H new ATOM 0 HE3 LYS A 74 12.717 -4.579 15.623 1.00 41.22 H new ATOM 0 HZ1 LYS A 74 14.461 -6.125 15.349 1.00 42.05 H new ATOM 0 HZ2 LYS A 74 15.204 -4.638 15.695 1.00 42.05 H new ATOM 0 HZ3 LYS A 74 15.087 -5.829 16.900 1.00 42.05 H new ATOM 1258 N ALA A 75 17.921 -4.898 16.250 1.00 53.31 N ATOM 1259 CA ALA A 75 18.907 -5.123 15.207 1.00 73.04 C ATOM 1260 C ALA A 75 18.202 -5.184 13.850 1.00 63.32 C ATOM 1261 O ALA A 75 17.445 -6.115 13.581 1.00 32.42 O ATOM 1262 CB ALA A 75 19.693 -6.399 15.514 1.00 74.32 C ATOM 0 H ALA A 75 16.971 -5.178 16.006 1.00 53.31 H new ATOM 0 HA ALA A 75 19.622 -4.301 15.171 1.00 73.04 H new ATOM 0 HB1 ALA A 75 20.433 -6.568 14.731 1.00 74.32 H new ATOM 0 HB2 ALA A 75 20.198 -6.293 16.474 1.00 74.32 H new ATOM 0 HB3 ALA A 75 19.009 -7.247 15.556 1.00 74.32 H new ATOM 1268 N ILE A 76 18.477 -4.180 13.030 1.00 22.24 N ATOM 1269 CA ILE A 76 17.879 -4.108 11.708 1.00 63.20 C ATOM 1270 C ILE A 76 18.864 -4.662 10.677 1.00 64.32 C ATOM 1271 O ILE A 76 20.050 -4.336 10.707 1.00 11.24 O ATOM 1272 CB ILE A 76 17.412 -2.682 11.408 1.00 23.41 C ATOM 1273 CG1 ILE A 76 16.228 -2.686 10.439 1.00 0.32 C ATOM 1274 CG2 ILE A 76 18.570 -1.823 10.896 1.00 54.34 C ATOM 1275 CD1 ILE A 76 15.785 -1.259 10.110 1.00 41.21 C ATOM 0 H ILE A 76 19.106 -3.410 13.256 1.00 22.24 H new ATOM 0 HA ILE A 76 16.984 -4.728 11.660 1.00 63.20 H new ATOM 0 HB ILE A 76 17.065 -2.232 12.338 1.00 23.41 H new ATOM 0 HG12 ILE A 76 16.506 -3.205 9.522 1.00 0.32 H new ATOM 0 HG13 ILE A 76 15.396 -3.237 10.878 1.00 0.32 H new ATOM 0 HG21 ILE A 76 18.212 -0.814 10.690 1.00 54.34 H new ATOM 0 HG22 ILE A 76 19.355 -1.782 11.652 1.00 54.34 H new ATOM 0 HG23 ILE A 76 18.970 -2.260 9.981 1.00 54.34 H new ATOM 0 HD11 ILE A 76 14.942 -1.290 9.420 1.00 41.21 H new ATOM 0 HD12 ILE A 76 15.485 -0.751 11.026 1.00 41.21 H new ATOM 0 HD13 ILE A 76 16.612 -0.718 9.649 1.00 41.21 H new ATOM 1287 N PHE A 77 18.337 -5.491 9.788 1.00 61.41 N ATOM 1288 CA PHE A 77 19.155 -6.094 8.749 1.00 22.12 C ATOM 1289 C PHE A 77 18.776 -5.552 7.369 1.00 22.44 C ATOM 1290 O PHE A 77 17.667 -5.056 7.176 1.00 23.44 O ATOM 1291 CB PHE A 77 18.885 -7.600 8.785 1.00 44.43 C ATOM 1292 CG PHE A 77 19.272 -8.270 10.105 1.00 73.13 C ATOM 1293 CD1 PHE A 77 18.371 -8.340 11.121 1.00 11.52 C ATOM 1294 CD2 PHE A 77 20.516 -8.797 10.261 1.00 12.44 C ATOM 1295 CE1 PHE A 77 18.729 -8.962 12.346 1.00 3.22 C ATOM 1296 CE2 PHE A 77 20.874 -9.419 11.486 1.00 2.14 C ATOM 1297 CZ PHE A 77 19.973 -9.488 12.503 1.00 64.41 C ATOM 0 H PHE A 77 17.353 -5.759 9.766 1.00 61.41 H new ATOM 0 HA PHE A 77 20.206 -5.865 8.923 1.00 22.12 H new ATOM 0 HB2 PHE A 77 17.825 -7.773 8.598 1.00 44.43 H new ATOM 0 HB3 PHE A 77 19.434 -8.077 7.973 1.00 44.43 H new ATOM 0 HD1 PHE A 77 17.383 -7.922 10.996 1.00 11.52 H new ATOM 0 HD2 PHE A 77 21.231 -8.742 9.454 1.00 12.44 H new ATOM 0 HE1 PHE A 77 18.013 -9.017 13.153 1.00 3.22 H new ATOM 0 HE2 PHE A 77 21.862 -9.837 11.611 1.00 2.14 H new ATOM 0 HZ PHE A 77 20.246 -9.961 13.435 1.00 64.41 H new ATOM 1307 N ILE A 78 19.719 -5.666 6.445 1.00 12.42 N ATOM 1308 CA ILE A 78 19.498 -5.193 5.089 1.00 73.41 C ATOM 1309 C ILE A 78 19.473 -6.389 4.135 1.00 65.22 C ATOM 1310 O ILE A 78 20.237 -7.339 4.304 1.00 10.42 O ATOM 1311 CB ILE A 78 20.533 -4.130 4.716 1.00 31.23 C ATOM 1312 CG1 ILE A 78 20.942 -3.310 5.942 1.00 71.15 C ATOM 1313 CG2 ILE A 78 20.023 -3.244 3.578 1.00 64.34 C ATOM 1314 CD1 ILE A 78 19.776 -2.457 6.445 1.00 53.05 C ATOM 0 H ILE A 78 20.637 -6.079 6.609 1.00 12.42 H new ATOM 0 HA ILE A 78 18.529 -4.701 5.010 1.00 73.41 H new ATOM 0 HB ILE A 78 21.428 -4.636 4.354 1.00 31.23 H new ATOM 0 HG12 ILE A 78 21.277 -3.978 6.735 1.00 71.15 H new ATOM 0 HG13 ILE A 78 21.785 -2.667 5.689 1.00 71.15 H new ATOM 0 HG21 ILE A 78 20.778 -2.497 3.332 1.00 64.34 H new ATOM 0 HG22 ILE A 78 19.822 -3.859 2.701 1.00 64.34 H new ATOM 0 HG23 ILE A 78 19.106 -2.744 3.889 1.00 64.34 H new ATOM 0 HD11 ILE A 78 20.093 -1.884 7.317 1.00 53.05 H new ATOM 0 HD12 ILE A 78 19.459 -1.773 5.657 1.00 53.05 H new ATOM 0 HD13 ILE A 78 18.943 -3.105 6.720 1.00 53.05 H new ATOM 1326 N PHE A 79 18.588 -6.304 3.153 1.00 44.04 N ATOM 1327 CA PHE A 79 18.455 -7.367 2.171 1.00 33.33 C ATOM 1328 C PHE A 79 18.301 -6.795 0.760 1.00 22.35 C ATOM 1329 O PHE A 79 17.440 -5.951 0.519 1.00 35.34 O ATOM 1330 CB PHE A 79 17.191 -8.152 2.531 1.00 3.40 C ATOM 1331 CG PHE A 79 17.079 -8.503 4.016 1.00 72.11 C ATOM 1332 CD1 PHE A 79 16.892 -7.519 4.936 1.00 44.55 C ATOM 1333 CD2 PHE A 79 17.165 -9.800 4.416 1.00 3.12 C ATOM 1334 CE1 PHE A 79 16.788 -7.845 6.314 1.00 40.35 C ATOM 1335 CE2 PHE A 79 17.061 -10.126 5.794 1.00 21.13 C ATOM 1336 CZ PHE A 79 16.875 -9.142 6.714 1.00 54.41 C ATOM 0 H PHE A 79 17.956 -5.515 3.016 1.00 44.04 H new ATOM 0 HA PHE A 79 19.344 -7.998 2.183 1.00 33.33 H new ATOM 0 HB2 PHE A 79 16.318 -7.569 2.239 1.00 3.40 H new ATOM 0 HB3 PHE A 79 17.169 -9.073 1.948 1.00 3.40 H new ATOM 0 HD1 PHE A 79 16.823 -6.489 4.618 1.00 44.55 H new ATOM 0 HD2 PHE A 79 17.312 -10.582 3.686 1.00 3.12 H new ATOM 0 HE1 PHE A 79 16.640 -7.063 7.044 1.00 40.35 H new ATOM 0 HE2 PHE A 79 17.130 -11.156 6.112 1.00 21.13 H new ATOM 0 HZ PHE A 79 16.796 -9.390 7.762 1.00 54.41 H new ATOM 1346 N VAL A 80 19.150 -7.278 -0.135 1.00 3.12 N ATOM 1347 CA VAL A 80 19.120 -6.825 -1.515 1.00 72.22 C ATOM 1348 C VAL A 80 18.849 -8.019 -2.433 1.00 62.10 C ATOM 1349 O VAL A 80 19.452 -9.079 -2.272 1.00 72.34 O ATOM 1350 CB VAL A 80 20.420 -6.093 -1.855 1.00 14.24 C ATOM 1351 CG1 VAL A 80 20.954 -5.332 -0.639 1.00 73.32 C ATOM 1352 CG2 VAL A 80 21.470 -7.063 -2.399 1.00 74.32 C ATOM 0 H VAL A 80 19.863 -7.979 0.069 1.00 3.12 H new ATOM 0 HA VAL A 80 18.312 -6.109 -1.664 1.00 72.22 H new ATOM 0 HB VAL A 80 20.200 -5.365 -2.636 1.00 14.24 H new ATOM 0 HG11 VAL A 80 21.878 -4.820 -0.907 1.00 73.32 H new ATOM 0 HG12 VAL A 80 20.215 -4.599 -0.315 1.00 73.32 H new ATOM 0 HG13 VAL A 80 21.150 -6.033 0.172 1.00 73.32 H new ATOM 0 HG21 VAL A 80 22.384 -6.517 -2.633 1.00 74.32 H new ATOM 0 HG22 VAL A 80 21.684 -7.825 -1.650 1.00 74.32 H new ATOM 0 HG23 VAL A 80 21.091 -7.540 -3.303 1.00 74.32 H new ATOM 1362 N ASN A 81 17.942 -7.807 -3.375 1.00 43.32 N ATOM 1363 CA ASN A 81 17.584 -8.852 -4.319 1.00 25.12 C ATOM 1364 C ASN A 81 17.362 -10.163 -3.561 1.00 54.52 C ATOM 1365 O ASN A 81 17.975 -11.180 -3.880 1.00 73.10 O ATOM 1366 CB ASN A 81 18.702 -9.080 -5.339 1.00 1.25 C ATOM 1367 CG ASN A 81 18.598 -8.086 -6.497 1.00 71.13 C ATOM 1368 OD1 ASN A 81 18.723 -6.814 -6.132 1.00 40.33 O flip ATOM 1369 ND2 ASN A 81 18.416 -8.451 -7.647 1.00 11.45 N flip ATOM 0 H ASN A 81 17.444 -6.926 -3.505 1.00 43.32 H new ATOM 0 HA ASN A 81 16.679 -8.540 -4.840 1.00 25.12 H new ATOM 0 HB2 ASN A 81 19.671 -8.976 -4.851 1.00 1.25 H new ATOM 0 HB3 ASN A 81 18.647 -10.099 -5.723 1.00 1.25 H new ATOM 0 HD21 ASN A 81 18.329 -9.445 -7.859 1.00 11.45 H new ATOM 0 HD22 ASN A 81 18.351 -7.762 -8.397 1.00 11.45 H new ATOM 1376 N ASP A 82 16.482 -10.095 -2.572 1.00 64.04 N ATOM 1377 CA ASP A 82 16.171 -11.264 -1.767 1.00 10.53 C ATOM 1378 C ASP A 82 17.473 -11.922 -1.307 1.00 21.23 C ATOM 1379 O ASP A 82 17.624 -13.139 -1.401 1.00 22.31 O ATOM 1380 CB ASP A 82 15.379 -12.294 -2.574 1.00 64.11 C ATOM 1381 CG ASP A 82 14.697 -13.382 -1.742 1.00 40.20 C ATOM 1382 OD1 ASP A 82 15.188 -14.517 -1.649 1.00 54.22 O ATOM 1383 OD2 ASP A 82 13.601 -13.020 -1.166 1.00 30.22 O ATOM 0 H ASP A 82 15.975 -9.249 -2.310 1.00 64.04 H new ATOM 0 HA ASP A 82 15.574 -10.938 -0.915 1.00 10.53 H new ATOM 0 HB2 ASP A 82 14.619 -11.772 -3.155 1.00 64.11 H new ATOM 0 HB3 ASP A 82 16.052 -12.771 -3.286 1.00 64.11 H new ATOM 1389 N THR A 83 18.380 -11.089 -0.819 1.00 43.21 N ATOM 1390 CA THR A 83 19.665 -11.575 -0.344 1.00 74.03 C ATOM 1391 C THR A 83 20.083 -10.826 0.922 1.00 3.22 C ATOM 1392 O THR A 83 19.314 -10.032 1.461 1.00 12.12 O ATOM 1393 CB THR A 83 20.672 -11.445 -1.488 1.00 51.44 C ATOM 1394 OG1 THR A 83 21.546 -12.556 -1.310 1.00 75.23 O ATOM 1395 CG2 THR A 83 21.583 -10.226 -1.330 1.00 40.45 C ATOM 0 H THR A 83 18.251 -10.080 -0.742 1.00 43.21 H new ATOM 0 HA THR A 83 19.610 -12.626 -0.059 1.00 74.03 H new ATOM 0 HB THR A 83 20.138 -11.379 -2.436 1.00 51.44 H new ATOM 0 HG1 THR A 83 22.230 -12.550 -2.012 1.00 75.23 H new ATOM 0 HG21 THR A 83 22.279 -10.180 -2.168 1.00 40.45 H new ATOM 0 HG22 THR A 83 20.978 -9.320 -1.311 1.00 40.45 H new ATOM 0 HG23 THR A 83 22.143 -10.308 -0.398 1.00 40.45 H new ATOM 1403 N LEU A 84 21.302 -11.105 1.361 1.00 41.34 N ATOM 1404 CA LEU A 84 21.832 -10.467 2.554 1.00 64.03 C ATOM 1405 C LEU A 84 23.339 -10.256 2.387 1.00 14.31 C ATOM 1406 O LEU A 84 24.133 -11.135 2.718 1.00 52.32 O ATOM 1407 CB LEU A 84 21.458 -11.270 3.801 1.00 4.45 C ATOM 1408 CG LEU A 84 21.314 -10.468 5.097 1.00 44.45 C ATOM 1409 CD1 LEU A 84 19.845 -10.158 5.389 1.00 30.33 C ATOM 1410 CD2 LEU A 84 21.993 -11.186 6.265 1.00 74.23 C ATOM 0 H LEU A 84 21.938 -11.764 0.912 1.00 41.34 H new ATOM 0 HA LEU A 84 21.385 -9.482 2.691 1.00 64.03 H new ATOM 0 HB2 LEU A 84 20.516 -11.784 3.609 1.00 4.45 H new ATOM 0 HB3 LEU A 84 22.216 -12.039 3.955 1.00 4.45 H new ATOM 0 HG LEU A 84 21.824 -9.514 4.967 1.00 44.45 H new ATOM 0 HD11 LEU A 84 19.771 -9.588 6.315 1.00 30.33 H new ATOM 0 HD12 LEU A 84 19.426 -9.575 4.569 1.00 30.33 H new ATOM 0 HD13 LEU A 84 19.290 -11.090 5.492 1.00 30.33 H new ATOM 0 HD21 LEU A 84 21.876 -10.595 7.173 1.00 74.23 H new ATOM 0 HD22 LEU A 84 21.534 -12.164 6.407 1.00 74.23 H new ATOM 0 HD23 LEU A 84 23.054 -11.311 6.048 1.00 74.23 H new ATOM 1422 N PRO A 85 23.695 -9.054 1.861 1.00 45.53 N ATOM 1423 CA PRO A 85 25.092 -8.715 1.646 1.00 22.52 C ATOM 1424 C PRO A 85 25.785 -8.381 2.969 1.00 71.02 C ATOM 1425 O PRO A 85 25.129 -8.006 3.940 1.00 63.43 O ATOM 1426 CB PRO A 85 25.069 -7.546 0.675 1.00 23.23 C ATOM 1427 CG PRO A 85 23.662 -6.975 0.744 1.00 63.12 C ATOM 1428 CD PRO A 85 22.782 -7.988 1.457 1.00 22.24 C ATOM 0 HA PRO A 85 25.668 -9.544 1.235 1.00 22.52 H new ATOM 0 HB2 PRO A 85 25.809 -6.795 0.950 1.00 23.23 H new ATOM 0 HB3 PRO A 85 25.308 -7.874 -0.337 1.00 23.23 H new ATOM 0 HG2 PRO A 85 23.661 -6.025 1.279 1.00 63.12 H new ATOM 0 HG3 PRO A 85 23.281 -6.777 -0.258 1.00 63.12 H new ATOM 0 HD2 PRO A 85 22.286 -7.544 2.320 1.00 22.24 H new ATOM 0 HD3 PRO A 85 21.999 -8.365 0.799 1.00 22.24 H new ATOM 1436 N PRO A 86 27.136 -8.532 2.964 1.00 24.30 N ATOM 1437 CA PRO A 86 27.925 -8.250 4.151 1.00 22.43 C ATOM 1438 C PRO A 86 28.060 -6.743 4.375 1.00 40.21 C ATOM 1439 O PRO A 86 27.826 -5.953 3.462 1.00 51.23 O ATOM 1440 CB PRO A 86 29.260 -8.937 3.909 1.00 13.31 C ATOM 1441 CG PRO A 86 29.337 -9.181 2.411 1.00 72.02 C ATOM 1442 CD PRO A 86 27.947 -8.974 1.833 1.00 55.05 C ATOM 0 HA PRO A 86 27.460 -8.623 5.063 1.00 22.43 H new ATOM 0 HB2 PRO A 86 30.087 -8.313 4.246 1.00 13.31 H new ATOM 0 HB3 PRO A 86 29.323 -9.875 4.461 1.00 13.31 H new ATOM 0 HG2 PRO A 86 30.048 -8.497 1.949 1.00 72.02 H new ATOM 0 HG3 PRO A 86 29.689 -10.192 2.207 1.00 72.02 H new ATOM 0 HD2 PRO A 86 27.956 -8.229 1.037 1.00 55.05 H new ATOM 0 HD3 PRO A 86 27.556 -9.896 1.402 1.00 55.05 H new ATOM 1450 N THR A 87 28.437 -6.389 5.595 1.00 61.32 N ATOM 1451 CA THR A 87 28.606 -4.990 5.950 1.00 20.51 C ATOM 1452 C THR A 87 29.887 -4.433 5.326 1.00 11.22 C ATOM 1453 O THR A 87 30.034 -3.220 5.181 1.00 20.30 O ATOM 1454 CB THR A 87 28.577 -4.883 7.476 1.00 73.30 C ATOM 1455 OG1 THR A 87 29.068 -3.572 7.741 1.00 33.24 O ATOM 1456 CG2 THR A 87 29.596 -5.806 8.147 1.00 0.15 C ATOM 0 H THR A 87 28.630 -7.047 6.350 1.00 61.32 H new ATOM 0 HA THR A 87 27.796 -4.380 5.551 1.00 20.51 H new ATOM 0 HB THR A 87 27.577 -5.123 7.838 1.00 73.30 H new ATOM 0 HG1 THR A 87 29.081 -3.417 8.709 1.00 33.24 H new ATOM 0 HG21 THR A 87 29.534 -5.691 9.229 1.00 0.15 H new ATOM 0 HG22 THR A 87 29.382 -6.841 7.879 1.00 0.15 H new ATOM 0 HG23 THR A 87 30.600 -5.545 7.811 1.00 0.15 H new ATOM 1464 N ALA A 88 30.781 -5.345 4.974 1.00 1.21 N ATOM 1465 CA ALA A 88 32.045 -4.959 4.369 1.00 32.32 C ATOM 1466 C ALA A 88 31.829 -4.685 2.879 1.00 5.05 C ATOM 1467 O ALA A 88 32.537 -3.873 2.286 1.00 42.05 O ATOM 1468 CB ALA A 88 33.084 -6.055 4.616 1.00 2.40 C ATOM 0 H ALA A 88 30.656 -6.350 5.096 1.00 1.21 H new ATOM 0 HA ALA A 88 32.424 -4.042 4.821 1.00 32.32 H new ATOM 0 HB1 ALA A 88 34.032 -5.766 4.163 1.00 2.40 H new ATOM 0 HB2 ALA A 88 33.221 -6.191 5.689 1.00 2.40 H new ATOM 0 HB3 ALA A 88 32.740 -6.989 4.173 1.00 2.40 H new ATOM 1474 N ALA A 89 30.849 -5.378 2.319 1.00 43.35 N ATOM 1475 CA ALA A 89 30.532 -5.219 0.909 1.00 12.05 C ATOM 1476 C ALA A 89 30.493 -3.729 0.565 1.00 54.23 C ATOM 1477 O ALA A 89 29.960 -2.925 1.328 1.00 31.15 O ATOM 1478 CB ALA A 89 29.209 -5.924 0.601 1.00 2.34 C ATOM 0 H ALA A 89 30.264 -6.051 2.815 1.00 43.35 H new ATOM 0 HA ALA A 89 31.300 -5.681 0.288 1.00 12.05 H new ATOM 0 HB1 ALA A 89 28.971 -5.805 -0.456 1.00 2.34 H new ATOM 0 HB2 ALA A 89 29.299 -6.985 0.836 1.00 2.34 H new ATOM 0 HB3 ALA A 89 28.414 -5.485 1.204 1.00 2.34 H new ATOM 1484 N LEU A 90 31.064 -3.405 -0.586 1.00 73.11 N ATOM 1485 CA LEU A 90 31.101 -2.026 -1.041 1.00 52.33 C ATOM 1486 C LEU A 90 29.835 -1.724 -1.846 1.00 35.55 C ATOM 1487 O LEU A 90 29.445 -2.505 -2.713 1.00 3.01 O ATOM 1488 CB LEU A 90 32.396 -1.749 -1.807 1.00 41.12 C ATOM 1489 CG LEU A 90 33.012 -0.363 -1.605 1.00 11.14 C ATOM 1490 CD1 LEU A 90 33.294 -0.099 -0.124 1.00 72.32 C ATOM 1491 CD2 LEU A 90 34.264 -0.188 -2.467 1.00 12.15 C ATOM 0 H LEU A 90 31.505 -4.074 -1.217 1.00 73.11 H new ATOM 0 HA LEU A 90 31.108 -1.345 -0.190 1.00 52.33 H new ATOM 0 HB2 LEU A 90 33.133 -2.498 -1.518 1.00 41.12 H new ATOM 0 HB3 LEU A 90 32.202 -1.887 -2.871 1.00 41.12 H new ATOM 0 HG LEU A 90 32.289 0.383 -1.933 1.00 11.14 H new ATOM 0 HD11 LEU A 90 33.731 0.893 -0.008 1.00 72.32 H new ATOM 0 HD12 LEU A 90 32.362 -0.153 0.439 1.00 72.32 H new ATOM 0 HD13 LEU A 90 33.989 -0.849 0.253 1.00 72.32 H new ATOM 0 HD21 LEU A 90 34.682 0.806 -2.304 1.00 12.15 H new ATOM 0 HD22 LEU A 90 35.002 -0.942 -2.193 1.00 12.15 H new ATOM 0 HD23 LEU A 90 34.001 -0.303 -3.518 1.00 12.15 H new ATOM 1503 N MET A 91 29.227 -0.591 -1.529 1.00 13.41 N ATOM 1504 CA MET A 91 28.012 -0.176 -2.211 1.00 64.51 C ATOM 1505 C MET A 91 28.258 -0.005 -3.712 1.00 33.33 C ATOM 1506 O MET A 91 27.312 0.085 -4.493 1.00 33.04 O ATOM 1507 CB MET A 91 27.520 1.146 -1.620 1.00 3.00 C ATOM 1508 CG MET A 91 27.293 1.022 -0.112 1.00 70.30 C ATOM 1509 SD MET A 91 26.142 -0.300 0.225 1.00 72.21 S ATOM 1510 CE MET A 91 24.793 0.184 -0.840 1.00 3.44 C ATOM 0 H MET A 91 29.553 0.053 -0.809 1.00 13.41 H new ATOM 0 HA MET A 91 27.257 -0.949 -2.071 1.00 64.51 H new ATOM 0 HB2 MET A 91 28.250 1.931 -1.818 1.00 3.00 H new ATOM 0 HB3 MET A 91 26.592 1.443 -2.108 1.00 3.00 H new ATOM 0 HG2 MET A 91 28.240 0.828 0.392 1.00 70.30 H new ATOM 0 HG3 MET A 91 26.907 1.961 0.285 1.00 70.30 H new ATOM 0 HE1 MET A 91 23.866 -0.259 -0.477 1.00 3.44 H new ATOM 0 HE2 MET A 91 24.701 1.270 -0.840 1.00 3.44 H new ATOM 0 HE3 MET A 91 24.988 -0.163 -1.855 1.00 3.44 H new ATOM 1520 N SER A 92 29.533 0.034 -4.070 1.00 13.13 N ATOM 1521 CA SER A 92 29.914 0.193 -5.463 1.00 24.13 C ATOM 1522 C SER A 92 29.856 -1.158 -6.179 1.00 34.15 C ATOM 1523 O SER A 92 29.371 -1.247 -7.306 1.00 11.14 O ATOM 1524 CB SER A 92 31.314 0.798 -5.585 1.00 24.33 C ATOM 1525 OG SER A 92 32.331 -0.133 -5.225 1.00 24.41 O ATOM 0 H SER A 92 30.315 -0.042 -3.420 1.00 13.13 H new ATOM 0 HA SER A 92 29.209 0.878 -5.934 1.00 24.13 H new ATOM 0 HB2 SER A 92 31.476 1.134 -6.609 1.00 24.33 H new ATOM 0 HB3 SER A 92 31.386 1.678 -4.946 1.00 24.33 H new ATOM 0 HG SER A 92 33.208 0.231 -5.467 1.00 24.41 H new ATOM 1531 N ALA A 93 30.356 -2.176 -5.494 1.00 61.45 N ATOM 1532 CA ALA A 93 30.367 -3.519 -6.051 1.00 14.31 C ATOM 1533 C ALA A 93 28.947 -4.088 -6.024 1.00 71.30 C ATOM 1534 O ALA A 93 28.517 -4.737 -6.976 1.00 74.41 O ATOM 1535 CB ALA A 93 31.358 -4.386 -5.273 1.00 32.24 C ATOM 0 H ALA A 93 30.756 -2.098 -4.559 1.00 61.45 H new ATOM 0 HA ALA A 93 30.696 -3.502 -7.090 1.00 14.31 H new ATOM 0 HB1 ALA A 93 31.366 -5.393 -5.690 1.00 32.24 H new ATOM 0 HB2 ALA A 93 32.356 -3.954 -5.348 1.00 32.24 H new ATOM 0 HB3 ALA A 93 31.059 -4.430 -4.226 1.00 32.24 H new ATOM 1541 N ILE A 94 28.259 -3.825 -4.923 1.00 54.21 N ATOM 1542 CA ILE A 94 26.896 -4.303 -4.760 1.00 23.23 C ATOM 1543 C ILE A 94 26.019 -3.722 -5.870 1.00 44.54 C ATOM 1544 O ILE A 94 25.451 -4.463 -6.670 1.00 63.33 O ATOM 1545 CB ILE A 94 26.386 -3.997 -3.350 1.00 25.21 C ATOM 1546 CG1 ILE A 94 27.206 -4.745 -2.296 1.00 71.12 C ATOM 1547 CG2 ILE A 94 24.891 -4.296 -3.231 1.00 34.00 C ATOM 1548 CD1 ILE A 94 27.165 -6.255 -2.540 1.00 45.03 C ATOM 0 H ILE A 94 28.620 -3.287 -4.135 1.00 54.21 H new ATOM 0 HA ILE A 94 26.859 -5.388 -4.860 1.00 23.23 H new ATOM 0 HB ILE A 94 26.517 -2.931 -3.163 1.00 25.21 H new ATOM 0 HG12 ILE A 94 28.239 -4.397 -2.319 1.00 71.12 H new ATOM 0 HG13 ILE A 94 26.817 -4.523 -1.302 1.00 71.12 H new ATOM 0 HG21 ILE A 94 24.554 -4.070 -2.219 1.00 34.00 H new ATOM 0 HG22 ILE A 94 24.339 -3.682 -3.943 1.00 34.00 H new ATOM 0 HG23 ILE A 94 24.712 -5.350 -3.446 1.00 34.00 H new ATOM 0 HD11 ILE A 94 27.755 -6.763 -1.777 1.00 45.03 H new ATOM 0 HD12 ILE A 94 26.133 -6.603 -2.492 1.00 45.03 H new ATOM 0 HD13 ILE A 94 27.577 -6.476 -3.525 1.00 45.03 H new ATOM 1560 N TYR A 95 25.937 -2.399 -5.884 1.00 72.30 N ATOM 1561 CA TYR A 95 25.139 -1.710 -6.883 1.00 52.54 C ATOM 1562 C TYR A 95 25.560 -2.115 -8.297 1.00 62.22 C ATOM 1563 O TYR A 95 24.744 -2.110 -9.218 1.00 22.04 O ATOM 1564 CB TYR A 95 25.417 -0.218 -6.689 1.00 45.34 C ATOM 1565 CG TYR A 95 24.978 0.656 -7.866 1.00 61.43 C ATOM 1566 CD1 TYR A 95 25.654 0.586 -9.068 1.00 30.33 C ATOM 1567 CD2 TYR A 95 23.906 1.513 -7.727 1.00 11.23 C ATOM 1568 CE1 TYR A 95 25.240 1.408 -10.175 1.00 64.44 C ATOM 1569 CE2 TYR A 95 23.492 2.335 -8.834 1.00 44.14 C ATOM 1570 CZ TYR A 95 24.180 2.242 -10.004 1.00 70.31 C ATOM 1571 OH TYR A 95 23.789 3.018 -11.050 1.00 64.02 O ATOM 0 H TYR A 95 26.410 -1.787 -5.219 1.00 72.30 H new ATOM 0 HA TYR A 95 24.084 -1.958 -6.768 1.00 52.54 H new ATOM 0 HB2 TYR A 95 24.907 0.122 -5.788 1.00 45.34 H new ATOM 0 HB3 TYR A 95 26.485 -0.077 -6.523 1.00 45.34 H new ATOM 0 HD1 TYR A 95 26.493 -0.085 -9.178 1.00 30.33 H new ATOM 0 HD2 TYR A 95 23.377 1.567 -6.787 1.00 11.23 H new ATOM 0 HE1 TYR A 95 25.760 1.363 -11.120 1.00 64.44 H new ATOM 0 HE2 TYR A 95 22.654 3.010 -8.738 1.00 44.14 H new ATOM 0 HH TYR A 95 22.817 3.140 -11.021 1.00 64.02 H new ATOM 1581 N GLN A 96 26.834 -2.457 -8.425 1.00 72.24 N ATOM 1582 CA GLN A 96 27.373 -2.865 -9.711 1.00 45.14 C ATOM 1583 C GLN A 96 26.640 -4.105 -10.226 1.00 54.21 C ATOM 1584 O GLN A 96 26.451 -4.263 -11.431 1.00 70.32 O ATOM 1585 CB GLN A 96 28.879 -3.118 -9.619 1.00 24.23 C ATOM 1586 CG GLN A 96 29.670 -1.944 -10.199 1.00 12.42 C ATOM 1587 CD GLN A 96 31.058 -1.850 -9.563 1.00 44.22 C ATOM 1588 OE1 GLN A 96 31.742 -2.839 -9.355 1.00 1.42 O ATOM 1589 NE2 GLN A 96 31.436 -0.609 -9.268 1.00 35.12 N ATOM 0 H GLN A 96 27.508 -2.460 -7.659 1.00 72.24 H new ATOM 0 HA GLN A 96 27.216 -2.053 -10.422 1.00 45.14 H new ATOM 0 HB2 GLN A 96 29.162 -3.273 -8.578 1.00 24.23 H new ATOM 0 HB3 GLN A 96 29.131 -4.032 -10.157 1.00 24.23 H new ATOM 0 HG2 GLN A 96 29.768 -2.065 -11.278 1.00 12.42 H new ATOM 0 HG3 GLN A 96 29.125 -1.015 -10.030 1.00 12.42 H new ATOM 0 HE21 GLN A 96 30.815 0.175 -9.469 1.00 35.12 H new ATOM 0 HE22 GLN A 96 32.347 -0.441 -8.841 1.00 35.12 H new ATOM 1598 N GLU A 97 26.245 -4.952 -9.287 1.00 25.30 N ATOM 1599 CA GLU A 97 25.536 -6.173 -9.630 1.00 65.24 C ATOM 1600 C GLU A 97 24.082 -6.091 -9.164 1.00 75.22 C ATOM 1601 O GLU A 97 23.281 -6.978 -9.458 1.00 10.40 O ATOM 1602 CB GLU A 97 26.234 -7.398 -9.036 1.00 64.22 C ATOM 1603 CG GLU A 97 27.490 -7.755 -9.835 1.00 34.32 C ATOM 1604 CD GLU A 97 27.192 -8.847 -10.864 1.00 63.34 C ATOM 1605 OE1 GLU A 97 26.113 -9.457 -10.827 1.00 23.41 O ATOM 1606 OE2 GLU A 97 28.129 -9.053 -11.727 1.00 22.32 O ATOM 0 H GLU A 97 26.403 -4.817 -8.288 1.00 25.30 H new ATOM 0 HA GLU A 97 25.544 -6.282 -10.715 1.00 65.24 H new ATOM 0 HB2 GLU A 97 26.503 -7.200 -7.998 1.00 64.22 H new ATOM 0 HB3 GLU A 97 25.548 -8.245 -9.032 1.00 64.22 H new ATOM 0 HG2 GLU A 97 27.868 -6.867 -10.341 1.00 34.32 H new ATOM 0 HG3 GLU A 97 28.273 -8.093 -9.157 1.00 34.32 H new ATOM 1614 N HIS A 98 23.784 -5.019 -8.445 1.00 55.02 N ATOM 1615 CA HIS A 98 22.439 -4.810 -7.936 1.00 10.35 C ATOM 1616 C HIS A 98 21.835 -3.560 -8.580 1.00 34.43 C ATOM 1617 O HIS A 98 20.815 -3.050 -8.117 1.00 65.11 O ATOM 1618 CB HIS A 98 22.441 -4.747 -6.407 1.00 2.41 C ATOM 1619 CG HIS A 98 22.812 -6.049 -5.739 1.00 70.31 C ATOM 1620 ND1 HIS A 98 23.975 -6.449 -5.148 1.00 40.25 N flip ATOM 1621 CD2 HIS A 98 21.933 -7.113 -5.630 1.00 15.41 C flip ATOM 1622 CE1 HIS A 98 23.814 -7.688 -4.701 1.00 0.22 C flip ATOM 1623 NE2 HIS A 98 22.549 -8.102 -5.000 1.00 70.01 N flip ATOM 0 H HIS A 98 24.451 -4.286 -8.203 1.00 55.02 H new ATOM 0 HA HIS A 98 21.808 -5.657 -8.206 1.00 10.35 H new ATOM 0 HB2 HIS A 98 23.140 -3.974 -6.086 1.00 2.41 H new ATOM 0 HB3 HIS A 98 21.451 -4.444 -6.065 1.00 2.41 H new ATOM 0 HD2 HIS A 98 20.917 -7.133 -5.996 1.00 15.41 H new ATOM 0 HE1 HIS A 98 24.562 -8.273 -4.185 1.00 0.22 H new ATOM 0 HE2 HIS A 98 22.148 -9.013 -4.778 1.00 70.01 H new ATOM 1631 N LYS A 99 22.489 -3.104 -9.637 1.00 51.24 N ATOM 1632 CA LYS A 99 22.029 -1.924 -10.350 1.00 1.11 C ATOM 1633 C LYS A 99 20.797 -2.284 -11.183 1.00 64.30 C ATOM 1634 O LYS A 99 20.742 -3.356 -11.783 1.00 74.43 O ATOM 1635 CB LYS A 99 23.169 -1.314 -11.169 1.00 33.50 C ATOM 1636 CG LYS A 99 22.626 -0.534 -12.368 1.00 31.21 C ATOM 1637 CD LYS A 99 22.504 -1.435 -13.599 1.00 32.04 C ATOM 1638 CE LYS A 99 23.883 -1.793 -14.155 1.00 24.54 C ATOM 1639 NZ LYS A 99 23.752 -2.537 -15.428 1.00 11.32 N ATOM 0 H LYS A 99 23.334 -3.530 -10.018 1.00 51.24 H new ATOM 0 HA LYS A 99 21.723 -1.149 -9.647 1.00 1.11 H new ATOM 0 HB2 LYS A 99 23.761 -0.652 -10.538 1.00 33.50 H new ATOM 0 HB3 LYS A 99 23.835 -2.104 -11.516 1.00 33.50 H new ATOM 0 HG2 LYS A 99 21.651 -0.115 -12.122 1.00 31.21 H new ATOM 0 HG3 LYS A 99 23.286 0.304 -12.590 1.00 31.21 H new ATOM 0 HD2 LYS A 99 21.967 -2.346 -13.336 1.00 32.04 H new ATOM 0 HD3 LYS A 99 21.918 -0.930 -14.367 1.00 32.04 H new ATOM 0 HE2 LYS A 99 24.464 -0.885 -14.316 1.00 24.54 H new ATOM 0 HE3 LYS A 99 24.429 -2.396 -13.429 1.00 24.54 H new ATOM 0 HZ1 LYS A 99 24.698 -2.772 -15.792 1.00 11.32 H new ATOM 0 HZ2 LYS A 99 23.216 -3.413 -15.264 1.00 11.32 H new ATOM 0 HZ3 LYS A 99 23.250 -1.949 -16.124 1.00 11.32 H new ATOM 1652 N ASP A 100 19.840 -1.368 -11.193 1.00 25.00 N ATOM 1653 CA ASP A 100 18.613 -1.576 -11.943 1.00 1.25 C ATOM 1654 C ASP A 100 18.704 -0.833 -13.277 1.00 73.01 C ATOM 1655 O ASP A 100 19.708 -0.183 -13.563 1.00 22.21 O ATOM 1656 CB ASP A 100 17.403 -1.032 -11.180 1.00 44.00 C ATOM 1657 CG ASP A 100 16.075 -1.719 -11.501 1.00 35.13 C ATOM 1658 OD1 ASP A 100 15.910 -2.927 -11.275 1.00 74.34 O ATOM 1659 OD2 ASP A 100 15.172 -0.951 -12.010 1.00 44.42 O ATOM 0 H ASP A 100 19.889 -0.480 -10.694 1.00 25.00 H new ATOM 0 HA ASP A 100 18.490 -2.648 -12.098 1.00 1.25 H new ATOM 0 HB2 ASP A 100 17.594 -1.126 -10.111 1.00 44.00 H new ATOM 0 HB3 ASP A 100 17.306 0.032 -11.394 1.00 44.00 H new ATOM 1665 N LYS A 101 17.641 -0.954 -14.059 1.00 33.15 N ATOM 1666 CA LYS A 101 17.588 -0.302 -15.356 1.00 74.31 C ATOM 1667 C LYS A 101 17.642 1.214 -15.163 1.00 0.43 C ATOM 1668 O LYS A 101 18.571 1.871 -15.630 1.00 64.54 O ATOM 1669 CB LYS A 101 16.366 -0.778 -16.145 1.00 62.21 C ATOM 1670 CG LYS A 101 16.571 -2.202 -16.667 1.00 1.12 C ATOM 1671 CD LYS A 101 15.794 -2.427 -17.965 1.00 73.32 C ATOM 1672 CE LYS A 101 15.438 -3.905 -18.142 1.00 14.25 C ATOM 1673 NZ LYS A 101 15.305 -4.238 -19.577 1.00 63.24 N ATOM 0 H LYS A 101 16.810 -1.494 -13.819 1.00 33.15 H new ATOM 0 HA LYS A 101 18.455 -0.578 -15.957 1.00 74.31 H new ATOM 0 HB2 LYS A 101 15.482 -0.744 -15.508 1.00 62.21 H new ATOM 0 HB3 LYS A 101 16.183 -0.103 -16.981 1.00 62.21 H new ATOM 0 HG2 LYS A 101 17.632 -2.381 -16.839 1.00 1.12 H new ATOM 0 HG3 LYS A 101 16.244 -2.920 -15.914 1.00 1.12 H new ATOM 0 HD2 LYS A 101 14.883 -1.828 -17.956 1.00 73.32 H new ATOM 0 HD3 LYS A 101 16.390 -2.089 -18.813 1.00 73.32 H new ATOM 0 HE2 LYS A 101 16.209 -4.528 -17.688 1.00 14.25 H new ATOM 0 HE3 LYS A 101 14.505 -4.125 -17.624 1.00 14.25 H new ATOM 0 HZ1 LYS A 101 15.063 -5.244 -19.679 1.00 63.24 H new ATOM 0 HZ2 LYS A 101 14.553 -3.657 -20.000 1.00 63.24 H new ATOM 0 HZ3 LYS A 101 16.205 -4.047 -20.062 1.00 63.24 H new ATOM 1686 N ASP A 102 16.634 1.727 -14.473 1.00 1.45 N ATOM 1687 CA ASP A 102 16.555 3.155 -14.211 1.00 65.35 C ATOM 1688 C ASP A 102 17.876 3.631 -13.602 1.00 73.23 C ATOM 1689 O ASP A 102 18.209 4.812 -13.680 1.00 11.32 O ATOM 1690 CB ASP A 102 15.435 3.472 -13.219 1.00 42.11 C ATOM 1691 CG ASP A 102 14.045 2.987 -13.636 1.00 23.11 C ATOM 1692 OD1 ASP A 102 13.685 1.820 -13.420 1.00 12.30 O ATOM 1693 OD2 ASP A 102 13.308 3.874 -14.213 1.00 45.53 O ATOM 0 H ASP A 102 15.865 1.180 -14.087 1.00 1.45 H new ATOM 0 HA ASP A 102 16.353 3.661 -15.155 1.00 65.35 H new ATOM 0 HB2 ASP A 102 15.685 3.026 -12.257 1.00 42.11 H new ATOM 0 HB3 ASP A 102 15.397 4.551 -13.070 1.00 42.11 H new ATOM 1699 N GLY A 103 18.592 2.687 -13.010 1.00 32.51 N ATOM 1700 CA GLY A 103 19.868 2.995 -12.388 1.00 22.33 C ATOM 1701 C GLY A 103 19.747 3.004 -10.863 1.00 12.14 C ATOM 1702 O GLY A 103 20.745 2.873 -10.156 1.00 1.10 O ATOM 0 H GLY A 103 18.313 1.708 -12.948 1.00 32.51 H new ATOM 0 HA2 GLY A 103 20.612 2.259 -12.693 1.00 22.33 H new ATOM 0 HA3 GLY A 103 20.220 3.967 -12.734 1.00 22.33 H new ATOM 1706 N PHE A 104 18.515 3.160 -10.400 1.00 2.41 N ATOM 1707 CA PHE A 104 18.250 3.189 -8.971 1.00 63.45 C ATOM 1708 C PHE A 104 18.721 1.897 -8.301 1.00 24.42 C ATOM 1709 O PHE A 104 19.091 0.940 -8.980 1.00 34.45 O ATOM 1710 CB PHE A 104 16.735 3.315 -8.800 1.00 2.10 C ATOM 1711 CG PHE A 104 16.264 4.730 -8.459 1.00 54.22 C ATOM 1712 CD1 PHE A 104 16.576 5.280 -7.255 1.00 64.30 C ATOM 1713 CD2 PHE A 104 15.532 5.438 -9.360 1.00 54.53 C ATOM 1714 CE1 PHE A 104 16.139 6.593 -6.939 1.00 34.13 C ATOM 1715 CE2 PHE A 104 15.094 6.752 -9.044 1.00 33.21 C ATOM 1716 CZ PHE A 104 15.407 7.301 -7.840 1.00 15.22 C ATOM 0 H PHE A 104 17.689 3.268 -10.989 1.00 2.41 H new ATOM 0 HA PHE A 104 18.782 4.021 -8.510 1.00 63.45 H new ATOM 0 HB2 PHE A 104 16.248 2.992 -9.720 1.00 2.10 H new ATOM 0 HB3 PHE A 104 16.411 2.635 -8.012 1.00 2.10 H new ATOM 0 HD1 PHE A 104 17.157 4.717 -6.539 1.00 64.30 H new ATOM 0 HD2 PHE A 104 15.284 5.001 -10.316 1.00 54.53 H new ATOM 0 HE1 PHE A 104 16.388 7.030 -5.983 1.00 34.13 H new ATOM 0 HE2 PHE A 104 14.513 7.315 -9.760 1.00 33.21 H new ATOM 0 HZ PHE A 104 15.074 8.300 -7.599 1.00 15.22 H new ATOM 1726 N LEU A 105 18.693 1.911 -6.976 1.00 64.12 N ATOM 1727 CA LEU A 105 19.113 0.752 -6.206 1.00 40.33 C ATOM 1728 C LEU A 105 17.909 0.182 -5.453 1.00 41.44 C ATOM 1729 O LEU A 105 17.137 0.929 -4.854 1.00 2.12 O ATOM 1730 CB LEU A 105 20.292 1.110 -5.299 1.00 42.14 C ATOM 1731 CG LEU A 105 21.436 0.094 -5.254 1.00 53.40 C ATOM 1732 CD1 LEU A 105 21.082 -1.089 -4.351 1.00 62.14 C ATOM 1733 CD2 LEU A 105 21.825 -0.356 -6.663 1.00 43.14 C ATOM 0 H LEU A 105 18.386 2.707 -6.416 1.00 64.12 H new ATOM 0 HA LEU A 105 19.477 -0.034 -6.868 1.00 40.33 H new ATOM 0 HB2 LEU A 105 20.696 2.069 -5.623 1.00 42.14 H new ATOM 0 HB3 LEU A 105 19.916 1.249 -4.285 1.00 42.14 H new ATOM 0 HG LEU A 105 22.309 0.581 -4.820 1.00 53.40 H new ATOM 0 HD11 LEU A 105 21.911 -1.796 -4.336 1.00 62.14 H new ATOM 0 HD12 LEU A 105 20.893 -0.731 -3.339 1.00 62.14 H new ATOM 0 HD13 LEU A 105 20.189 -1.584 -4.733 1.00 62.14 H new ATOM 0 HD21 LEU A 105 22.640 -1.078 -6.603 1.00 43.14 H new ATOM 0 HD22 LEU A 105 20.965 -0.819 -7.147 1.00 43.14 H new ATOM 0 HD23 LEU A 105 22.148 0.508 -7.245 1.00 43.14 H new ATOM 1745 N TYR A 106 17.787 -1.136 -5.509 1.00 55.33 N ATOM 1746 CA TYR A 106 16.690 -1.814 -4.840 1.00 73.32 C ATOM 1747 C TYR A 106 17.180 -2.549 -3.591 1.00 11.33 C ATOM 1748 O TYR A 106 17.816 -3.597 -3.692 1.00 11.33 O ATOM 1749 CB TYR A 106 16.154 -2.839 -5.842 1.00 51.01 C ATOM 1750 CG TYR A 106 15.292 -2.233 -6.952 1.00 4.34 C ATOM 1751 CD1 TYR A 106 15.805 -1.235 -7.756 1.00 13.22 C ATOM 1752 CD2 TYR A 106 14.003 -2.684 -7.148 1.00 50.34 C ATOM 1753 CE1 TYR A 106 14.994 -0.664 -8.800 1.00 72.20 C ATOM 1754 CE2 TYR A 106 13.192 -2.113 -8.193 1.00 21.13 C ATOM 1755 CZ TYR A 106 13.728 -1.132 -8.967 1.00 14.50 C ATOM 1756 OH TYR A 106 12.962 -0.593 -9.953 1.00 52.42 O ATOM 0 H TYR A 106 18.429 -1.752 -6.007 1.00 55.33 H new ATOM 0 HA TYR A 106 15.930 -1.098 -4.527 1.00 73.32 H new ATOM 0 HB2 TYR A 106 16.995 -3.363 -6.295 1.00 51.01 H new ATOM 0 HB3 TYR A 106 15.566 -3.584 -5.305 1.00 51.01 H new ATOM 0 HD1 TYR A 106 16.814 -0.883 -7.602 1.00 13.22 H new ATOM 0 HD2 TYR A 106 13.602 -3.465 -6.518 1.00 50.34 H new ATOM 0 HE1 TYR A 106 15.382 0.118 -9.436 1.00 72.20 H new ATOM 0 HE2 TYR A 106 12.181 -2.456 -8.358 1.00 21.13 H new ATOM 0 HH TYR A 106 13.462 -0.598 -10.796 1.00 52.42 H new ATOM 1766 N VAL A 107 16.865 -1.970 -2.441 1.00 44.53 N ATOM 1767 CA VAL A 107 17.266 -2.556 -1.174 1.00 10.24 C ATOM 1768 C VAL A 107 16.129 -2.397 -0.162 1.00 24.44 C ATOM 1769 O VAL A 107 15.303 -1.495 -0.287 1.00 41.10 O ATOM 1770 CB VAL A 107 18.580 -1.931 -0.700 1.00 13.22 C ATOM 1771 CG1 VAL A 107 18.676 -0.466 -1.130 1.00 44.20 C ATOM 1772 CG2 VAL A 107 18.737 -2.069 0.816 1.00 43.12 C ATOM 0 H VAL A 107 16.337 -1.101 -2.361 1.00 44.53 H new ATOM 0 HA VAL A 107 17.453 -3.624 -1.289 1.00 10.24 H new ATOM 0 HB VAL A 107 19.399 -2.473 -1.172 1.00 13.22 H new ATOM 0 HG11 VAL A 107 19.619 -0.045 -0.781 1.00 44.20 H new ATOM 0 HG12 VAL A 107 18.631 -0.402 -2.217 1.00 44.20 H new ATOM 0 HG13 VAL A 107 17.847 0.095 -0.699 1.00 44.20 H new ATOM 0 HG21 VAL A 107 19.679 -1.617 1.127 1.00 43.12 H new ATOM 0 HG22 VAL A 107 17.910 -1.564 1.315 1.00 43.12 H new ATOM 0 HG23 VAL A 107 18.734 -3.125 1.087 1.00 43.12 H new ATOM 1782 N THR A 108 16.124 -3.289 0.819 1.00 42.34 N ATOM 1783 CA THR A 108 15.103 -3.259 1.852 1.00 73.24 C ATOM 1784 C THR A 108 15.612 -3.937 3.125 1.00 61.31 C ATOM 1785 O THR A 108 16.219 -5.005 3.063 1.00 24.24 O ATOM 1786 CB THR A 108 13.837 -3.905 1.284 1.00 63.13 C ATOM 1787 OG1 THR A 108 13.566 -3.157 0.101 1.00 25.34 O ATOM 1788 CG2 THR A 108 12.611 -3.665 2.166 1.00 54.40 C ATOM 0 H THR A 108 16.811 -4.036 0.920 1.00 42.34 H new ATOM 0 HA THR A 108 14.862 -2.236 2.141 1.00 73.24 H new ATOM 0 HB THR A 108 13.997 -4.977 1.169 1.00 63.13 H new ATOM 0 HG1 THR A 108 13.817 -2.220 0.242 1.00 25.34 H new ATOM 0 HG21 THR A 108 11.741 -4.144 1.718 1.00 54.40 H new ATOM 0 HG22 THR A 108 12.787 -4.086 3.156 1.00 54.40 H new ATOM 0 HG23 THR A 108 12.430 -2.594 2.254 1.00 54.40 H new ATOM 1796 N TYR A 109 15.346 -3.289 4.249 1.00 1.03 N ATOM 1797 CA TYR A 109 15.770 -3.816 5.535 1.00 0.03 C ATOM 1798 C TYR A 109 14.569 -4.293 6.355 1.00 4.53 C ATOM 1799 O TYR A 109 13.436 -4.261 5.879 1.00 52.11 O ATOM 1800 CB TYR A 109 16.443 -2.653 6.267 1.00 54.42 C ATOM 1801 CG TYR A 109 15.648 -1.346 6.221 1.00 70.11 C ATOM 1802 CD1 TYR A 109 14.393 -1.281 6.792 1.00 61.14 C ATOM 1803 CD2 TYR A 109 16.186 -0.232 5.609 1.00 61.22 C ATOM 1804 CE1 TYR A 109 13.645 -0.051 6.748 1.00 22.44 C ATOM 1805 CE2 TYR A 109 15.438 0.998 5.566 1.00 62.45 C ATOM 1806 CZ TYR A 109 14.205 1.027 6.137 1.00 14.34 C ATOM 1807 OH TYR A 109 13.498 2.189 6.097 1.00 63.24 O ATOM 0 H TYR A 109 14.842 -2.403 4.296 1.00 1.03 H new ATOM 0 HA TYR A 109 16.438 -4.667 5.400 1.00 0.03 H new ATOM 0 HB2 TYR A 109 16.600 -2.934 7.308 1.00 54.42 H new ATOM 0 HB3 TYR A 109 17.427 -2.483 5.831 1.00 54.42 H new ATOM 0 HD1 TYR A 109 13.972 -2.152 7.272 1.00 61.14 H new ATOM 0 HD2 TYR A 109 17.168 -0.283 5.162 1.00 61.22 H new ATOM 0 HE1 TYR A 109 12.662 0.014 7.190 1.00 22.44 H new ATOM 0 HE2 TYR A 109 15.848 1.877 5.091 1.00 62.45 H new ATOM 0 HH TYR A 109 13.210 2.365 5.177 1.00 63.24 H new ATOM 1817 N SER A 110 14.859 -4.723 7.574 1.00 23.03 N ATOM 1818 CA SER A 110 13.818 -5.206 8.465 1.00 14.51 C ATOM 1819 C SER A 110 14.387 -5.417 9.869 1.00 33.35 C ATOM 1820 O SER A 110 15.465 -5.988 10.027 1.00 41.43 O ATOM 1821 CB SER A 110 13.202 -6.504 7.940 1.00 23.33 C ATOM 1822 OG SER A 110 14.135 -7.581 7.956 1.00 62.44 O ATOM 0 H SER A 110 15.800 -4.747 7.966 1.00 23.03 H new ATOM 0 HA SER A 110 13.030 -4.454 8.509 1.00 14.51 H new ATOM 0 HB2 SER A 110 12.335 -6.766 8.547 1.00 23.33 H new ATOM 0 HB3 SER A 110 12.843 -6.350 6.922 1.00 23.33 H new ATOM 0 HG SER A 110 14.246 -7.904 8.875 1.00 62.44 H new ATOM 1828 N GLY A 111 13.636 -4.947 10.855 1.00 41.55 N ATOM 1829 CA GLY A 111 14.052 -5.077 12.241 1.00 62.14 C ATOM 1830 C GLY A 111 14.415 -6.527 12.570 1.00 13.40 C ATOM 1831 O GLY A 111 15.130 -6.787 13.536 1.00 63.10 O ATOM 0 H GLY A 111 12.742 -4.475 10.721 1.00 41.55 H new ATOM 0 HA2 GLY A 111 14.910 -4.432 12.429 1.00 62.14 H new ATOM 0 HA3 GLY A 111 13.250 -4.741 12.898 1.00 62.14 H new ATOM 1835 N GLU A 112 13.904 -7.432 11.748 1.00 22.14 N ATOM 1836 CA GLU A 112 14.165 -8.849 11.940 1.00 3.54 C ATOM 1837 C GLU A 112 15.140 -9.358 10.876 1.00 14.32 C ATOM 1838 O GLU A 112 15.303 -8.733 9.830 1.00 44.44 O ATOM 1839 CB GLU A 112 12.864 -9.653 11.922 1.00 22.23 C ATOM 1840 CG GLU A 112 13.124 -11.123 12.257 1.00 30.40 C ATOM 1841 CD GLU A 112 13.806 -11.263 13.620 1.00 74.33 C ATOM 1842 OE1 GLU A 112 13.292 -10.752 14.625 1.00 15.34 O ATOM 1843 OE2 GLU A 112 14.908 -11.933 13.612 1.00 42.25 O ATOM 0 H GLU A 112 13.311 -7.212 10.948 1.00 22.14 H new ATOM 0 HA GLU A 112 14.624 -8.985 12.919 1.00 3.54 H new ATOM 0 HB2 GLU A 112 12.162 -9.231 12.641 1.00 22.23 H new ATOM 0 HB3 GLU A 112 12.399 -9.577 10.939 1.00 22.23 H new ATOM 0 HG2 GLU A 112 12.182 -11.671 12.260 1.00 30.40 H new ATOM 0 HG3 GLU A 112 13.751 -11.570 11.485 1.00 30.40 H new ATOM 1851 N ASN A 113 15.761 -10.488 11.181 1.00 50.54 N ATOM 1852 CA ASN A 113 16.715 -11.088 10.263 1.00 13.23 C ATOM 1853 C ASN A 113 15.974 -12.021 9.303 1.00 23.02 C ATOM 1854 O ASN A 113 16.246 -13.220 9.265 1.00 73.13 O ATOM 1855 CB ASN A 113 17.758 -11.915 11.017 1.00 73.41 C ATOM 1856 CG ASN A 113 18.714 -12.609 10.045 1.00 71.24 C ATOM 1857 OD1 ASN A 113 18.693 -13.816 9.868 1.00 72.22 O ATOM 1858 ND2 ASN A 113 19.551 -11.782 9.426 1.00 1.51 N ATOM 0 H ASN A 113 15.622 -11.004 12.050 1.00 50.54 H new ATOM 0 HA ASN A 113 17.215 -10.285 9.722 1.00 13.23 H new ATOM 0 HB2 ASN A 113 18.323 -11.269 11.689 1.00 73.41 H new ATOM 0 HB3 ASN A 113 17.258 -12.660 11.636 1.00 73.41 H new ATOM 0 HD21 ASN A 113 20.228 -12.148 8.757 1.00 1.51 H new ATOM 0 HD22 ASN A 113 19.516 -10.781 9.620 1.00 1.51 H new ATOM 1865 N THR A 114 15.054 -11.435 8.552 1.00 73.43 N ATOM 1866 CA THR A 114 14.272 -12.200 7.594 1.00 2.42 C ATOM 1867 C THR A 114 14.272 -11.505 6.231 1.00 34.00 C ATOM 1868 O THR A 114 14.461 -10.292 6.148 1.00 34.41 O ATOM 1869 CB THR A 114 12.871 -12.396 8.177 1.00 42.22 C ATOM 1870 OG1 THR A 114 12.578 -11.150 8.803 1.00 51.32 O ATOM 1871 CG2 THR A 114 12.851 -13.404 9.327 1.00 24.42 C ATOM 0 H THR A 114 14.832 -10.440 8.587 1.00 73.43 H new ATOM 0 HA THR A 114 14.708 -13.184 7.422 1.00 2.42 H new ATOM 0 HB THR A 114 12.194 -12.730 7.390 1.00 42.22 H new ATOM 0 HG1 THR A 114 11.686 -11.188 9.206 1.00 51.32 H new ATOM 0 HG21 THR A 114 11.833 -13.506 9.704 1.00 24.42 H new ATOM 0 HG22 THR A 114 13.204 -14.371 8.969 1.00 24.42 H new ATOM 0 HG23 THR A 114 13.502 -13.055 10.129 1.00 24.42 H new ATOM 1879 N PHE A 115 14.057 -12.304 5.196 1.00 40.41 N ATOM 1880 CA PHE A 115 14.029 -11.781 3.840 1.00 3.24 C ATOM 1881 C PHE A 115 12.615 -11.350 3.448 1.00 74.45 C ATOM 1882 O PHE A 115 12.382 -10.930 2.315 1.00 33.32 O ATOM 1883 CB PHE A 115 14.481 -12.913 2.915 1.00 13.42 C ATOM 1884 CG PHE A 115 15.896 -13.420 3.198 1.00 62.22 C ATOM 1885 CD1 PHE A 115 16.096 -14.400 4.120 1.00 51.31 C ATOM 1886 CD2 PHE A 115 16.955 -12.892 2.527 1.00 54.12 C ATOM 1887 CE1 PHE A 115 17.410 -14.871 4.382 1.00 15.32 C ATOM 1888 CE2 PHE A 115 18.268 -13.363 2.789 1.00 3.11 C ATOM 1889 CZ PHE A 115 18.468 -14.342 3.711 1.00 20.43 C ATOM 0 H PHE A 115 13.901 -13.309 5.269 1.00 40.41 H new ATOM 0 HA PHE A 115 14.679 -10.909 3.763 1.00 3.24 H new ATOM 0 HB2 PHE A 115 13.783 -13.745 3.008 1.00 13.42 H new ATOM 0 HB3 PHE A 115 14.430 -12.567 1.883 1.00 13.42 H new ATOM 0 HD1 PHE A 115 15.256 -14.820 4.653 1.00 51.31 H new ATOM 0 HD2 PHE A 115 16.797 -12.114 1.795 1.00 54.12 H new ATOM 0 HE1 PHE A 115 17.569 -15.649 5.114 1.00 15.32 H new ATOM 0 HE2 PHE A 115 19.108 -12.944 2.256 1.00 3.11 H new ATOM 0 HZ PHE A 115 19.467 -14.700 3.911 1.00 20.43 H new ATOM 1899 N GLY A 116 11.707 -11.470 4.405 1.00 12.21 N ATOM 1900 CA GLY A 116 10.321 -11.098 4.173 1.00 23.34 C ATOM 1901 C GLY A 116 9.368 -12.129 4.781 1.00 21.41 C ATOM 1902 O GLY A 116 9.536 -12.534 5.931 1.00 42.45 O ATOM 0 H GLY A 116 11.904 -11.820 5.343 1.00 12.21 H new ATOM 0 HA2 GLY A 116 10.126 -10.117 4.607 1.00 23.34 H new ATOM 0 HA3 GLY A 116 10.137 -11.015 3.102 1.00 23.34 H new TER 1906 GLY A 116