USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 784 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 76 SER OG : rot 67:sc= 0.782 USER MOD Set 1.2: A 77 SER OG : rot 180:sc= -0.409 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl -171:sc= 0 (180deg=-0.0787) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : A 7 LYS NZ :NH3+ 149:sc= -0.565 (180deg=-1.77!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -140:sc= -0.793 USER MOD Single : A 47 SER OG : rot 96:sc= 0.285 USER MOD Single : A 62 GLN : amide:sc= -1.44 K(o=-1.4,f=-3.1!) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -2.19! F(o=-2.9,f=-2.2!) USER MOD Single : A 65 TYR OH : rot -35:sc= 0.104 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 2.958 0.425 1.180 1.00 51.50 N ATOM 2 CA HIS A 1 2.241 -0.162 0.054 1.00 62.51 C ATOM 3 C HIS A 1 3.081 -1.244 -0.620 1.00 13.14 C ATOM 4 O HIS A 1 3.833 -0.967 -1.554 1.00 33.34 O ATOM 5 CB HIS A 1 1.870 0.918 -0.962 1.00 43.22 C ATOM 6 CG HIS A 1 0.754 1.808 -0.509 1.00 43.43 C ATOM 7 ND1 HIS A 1 -0.567 1.415 -0.503 1.00 72.31 N ATOM 8 CD2 HIS A 1 0.769 3.079 -0.044 1.00 12.33 C ATOM 9 CE1 HIS A 1 -1.317 2.405 -0.055 1.00 14.50 C ATOM 10 NE2 HIS A 1 -0.531 3.427 0.231 1.00 2.22 N ATOM 0 H1 HIS A 1 2.368 1.158 1.623 1.00 51.50 H new ATOM 0 H2 HIS A 1 3.173 -0.315 1.878 1.00 51.50 H new ATOM 0 H3 HIS A 1 3.845 0.851 0.843 1.00 51.50 H new ATOM 0 HA HIS A 1 1.328 -0.619 0.436 1.00 62.51 H new ATOM 0 HB2 HIS A 1 2.749 1.528 -1.169 1.00 43.22 H new ATOM 0 HB3 HIS A 1 1.585 0.441 -1.900 1.00 43.22 H new ATOM 0 HD2 HIS A 1 1.641 3.703 0.086 1.00 12.33 H new ATOM 0 HE1 HIS A 1 -2.391 2.383 0.058 1.00 14.50 H new ATOM 0 HE2 HIS A 1 -0.839 4.328 0.597 1.00 2.22 H new ATOM 18 N MET A 2 2.947 -2.475 -0.138 1.00 62.42 N ATOM 19 CA MET A 2 3.693 -3.598 -0.694 1.00 65.14 C ATOM 20 C MET A 2 2.801 -4.456 -1.585 1.00 32.40 C ATOM 21 O MET A 2 1.618 -4.163 -1.761 1.00 64.35 O ATOM 22 CB MET A 2 4.285 -4.452 0.429 1.00 51.30 C ATOM 23 CG MET A 2 5.122 -3.658 1.419 1.00 63.12 C ATOM 24 SD MET A 2 6.417 -4.651 2.186 1.00 44.22 S ATOM 25 CE MET A 2 5.442 -5.931 2.971 1.00 31.42 C ATOM 0 H MET A 2 2.329 -2.720 0.636 1.00 62.42 H new ATOM 0 HA MET A 2 4.504 -3.197 -1.301 1.00 65.14 H new ATOM 0 HB2 MET A 2 3.474 -4.946 0.965 1.00 51.30 H new ATOM 0 HB3 MET A 2 4.902 -5.237 -0.009 1.00 51.30 H new ATOM 0 HG2 MET A 2 5.575 -2.809 0.907 1.00 63.12 H new ATOM 0 HG3 MET A 2 4.473 -3.253 2.195 1.00 63.12 H new ATOM 0 HE1 MET A 2 6.082 -6.531 3.618 1.00 31.42 H new ATOM 0 HE2 MET A 2 4.652 -5.473 3.566 1.00 31.42 H new ATOM 0 HE3 MET A 2 4.997 -6.569 2.208 1.00 31.42 H new ATOM 35 N SER A 3 3.375 -5.517 -2.144 1.00 34.11 N ATOM 36 CA SER A 3 2.631 -6.416 -3.020 1.00 5.44 C ATOM 37 C SER A 3 2.704 -7.852 -2.512 1.00 22.43 C ATOM 38 O SER A 3 3.612 -8.213 -1.761 1.00 13.11 O ATOM 39 CB SER A 3 3.178 -6.339 -4.447 1.00 10.25 C ATOM 40 OG SER A 3 4.416 -7.020 -4.556 1.00 32.01 O ATOM 0 H SER A 3 4.352 -5.775 -2.006 1.00 34.11 H new ATOM 0 HA SER A 3 1.587 -6.102 -3.021 1.00 5.44 H new ATOM 0 HB2 SER A 3 2.458 -6.774 -5.140 1.00 10.25 H new ATOM 0 HB3 SER A 3 3.307 -5.296 -4.735 1.00 10.25 H new ATOM 0 HG SER A 3 4.744 -6.958 -5.478 1.00 32.01 H new ATOM 46 N LEU A 4 1.742 -8.669 -2.926 1.00 70.05 N ATOM 47 CA LEU A 4 1.695 -10.068 -2.515 1.00 1.35 C ATOM 48 C LEU A 4 1.090 -10.938 -3.611 1.00 65.43 C ATOM 49 O LEU A 4 -0.083 -10.796 -3.956 1.00 72.42 O ATOM 50 CB LEU A 4 0.883 -10.213 -1.226 1.00 65.52 C ATOM 51 CG LEU A 4 1.305 -9.317 -0.062 1.00 4.51 C ATOM 52 CD1 LEU A 4 0.243 -9.319 1.026 1.00 20.23 C ATOM 53 CD2 LEU A 4 2.647 -9.766 0.499 1.00 72.13 C ATOM 0 H LEU A 4 0.983 -8.387 -3.547 1.00 70.05 H new ATOM 0 HA LEU A 4 2.716 -10.403 -2.334 1.00 1.35 H new ATOM 0 HB2 LEU A 4 -0.163 -10.009 -1.455 1.00 65.52 H new ATOM 0 HB3 LEU A 4 0.941 -11.251 -0.899 1.00 65.52 H new ATOM 0 HG LEU A 4 1.412 -8.298 -0.434 1.00 4.51 H new ATOM 0 HD11 LEU A 4 0.561 -8.676 1.846 1.00 20.23 H new ATOM 0 HD12 LEU A 4 -0.697 -8.948 0.618 1.00 20.23 H new ATOM 0 HD13 LEU A 4 0.102 -10.335 1.395 1.00 20.23 H new ATOM 0 HD21 LEU A 4 2.931 -9.116 1.327 1.00 72.13 H new ATOM 0 HD22 LEU A 4 2.567 -10.793 0.855 1.00 72.13 H new ATOM 0 HD23 LEU A 4 3.405 -9.710 -0.282 1.00 72.13 H new ATOM 65 N THR A 5 1.899 -11.842 -4.156 1.00 22.55 N ATOM 66 CA THR A 5 1.444 -12.737 -5.212 1.00 63.31 C ATOM 67 C THR A 5 0.662 -13.913 -4.638 1.00 41.01 C ATOM 68 O THR A 5 1.159 -14.642 -3.779 1.00 55.11 O ATOM 69 CB THR A 5 2.627 -13.277 -6.039 1.00 54.31 C ATOM 70 OG1 THR A 5 3.771 -12.433 -5.866 1.00 74.05 O ATOM 71 CG2 THR A 5 2.265 -13.353 -7.515 1.00 34.23 C ATOM 0 H THR A 5 2.873 -11.973 -3.883 1.00 22.55 H new ATOM 0 HA THR A 5 0.792 -12.153 -5.862 1.00 63.31 H new ATOM 0 HB THR A 5 2.860 -14.282 -5.686 1.00 54.31 H new ATOM 0 HG1 THR A 5 4.519 -12.784 -6.393 1.00 74.05 H new ATOM 0 HG21 THR A 5 3.115 -13.737 -8.079 1.00 34.23 H new ATOM 0 HG22 THR A 5 1.412 -14.019 -7.647 1.00 34.23 H new ATOM 0 HG23 THR A 5 2.008 -12.358 -7.878 1.00 34.23 H new ATOM 79 N VAL A 6 -0.564 -14.093 -5.118 1.00 53.14 N ATOM 80 CA VAL A 6 -1.415 -15.182 -4.654 1.00 30.10 C ATOM 81 C VAL A 6 -1.361 -16.368 -5.611 1.00 13.32 C ATOM 82 O VAL A 6 -1.544 -16.214 -6.819 1.00 21.13 O ATOM 83 CB VAL A 6 -2.878 -14.726 -4.501 1.00 51.53 C ATOM 84 CG1 VAL A 6 -3.747 -15.873 -4.008 1.00 41.42 C ATOM 85 CG2 VAL A 6 -2.969 -13.534 -3.560 1.00 25.33 C ATOM 0 H VAL A 6 -0.990 -13.498 -5.829 1.00 53.14 H new ATOM 0 HA VAL A 6 -1.034 -15.487 -3.679 1.00 30.10 H new ATOM 0 HB VAL A 6 -3.248 -14.417 -5.479 1.00 51.53 H new ATOM 0 HG11 VAL A 6 -4.777 -15.531 -3.906 1.00 41.42 H new ATOM 0 HG12 VAL A 6 -3.706 -16.694 -4.724 1.00 41.42 H new ATOM 0 HG13 VAL A 6 -3.381 -16.217 -3.040 1.00 41.42 H new ATOM 0 HG21 VAL A 6 -4.010 -13.225 -3.464 1.00 25.33 H new ATOM 0 HG22 VAL A 6 -2.581 -13.813 -2.580 1.00 25.33 H new ATOM 0 HG23 VAL A 6 -2.381 -12.708 -3.961 1.00 25.33 H new ATOM 95 N LYS A 7 -1.110 -17.552 -5.063 1.00 41.12 N ATOM 96 CA LYS A 7 -1.033 -18.766 -5.867 1.00 35.34 C ATOM 97 C LYS A 7 -2.211 -19.689 -5.571 1.00 33.32 C ATOM 98 O LYS A 7 -2.278 -20.304 -4.507 1.00 32.02 O ATOM 99 CB LYS A 7 0.283 -19.499 -5.597 1.00 13.02 C ATOM 100 CG LYS A 7 1.480 -18.874 -6.292 1.00 21.41 C ATOM 101 CD LYS A 7 2.730 -19.721 -6.118 1.00 11.21 C ATOM 102 CE LYS A 7 2.769 -20.868 -7.115 1.00 63.45 C ATOM 103 NZ LYS A 7 3.101 -20.398 -8.489 1.00 74.11 N ATOM 0 H LYS A 7 -0.956 -17.697 -4.065 1.00 41.12 H new ATOM 0 HA LYS A 7 -1.073 -18.479 -6.918 1.00 35.34 H new ATOM 0 HB2 LYS A 7 0.466 -19.517 -4.523 1.00 13.02 H new ATOM 0 HB3 LYS A 7 0.185 -20.535 -5.921 1.00 13.02 H new ATOM 0 HG2 LYS A 7 1.264 -18.755 -7.354 1.00 21.41 H new ATOM 0 HG3 LYS A 7 1.656 -17.877 -5.889 1.00 21.41 H new ATOM 0 HD2 LYS A 7 3.614 -19.097 -6.245 1.00 11.21 H new ATOM 0 HD3 LYS A 7 2.763 -20.118 -5.103 1.00 11.21 H new ATOM 0 HE2 LYS A 7 3.507 -21.603 -6.794 1.00 63.45 H new ATOM 0 HE3 LYS A 7 1.802 -21.372 -7.127 1.00 63.45 H new ATOM 0 HZ1 LYS A 7 3.618 -21.145 -8.996 1.00 74.11 H new ATOM 0 HZ2 LYS A 7 2.224 -20.175 -9.001 1.00 74.11 H new ATOM 0 HZ3 LYS A 7 3.694 -19.546 -8.431 1.00 74.11 H new ATOM 117 N ALA A 8 -3.137 -19.782 -6.520 1.00 31.43 N ATOM 118 CA ALA A 8 -4.310 -20.633 -6.362 1.00 30.33 C ATOM 119 C ALA A 8 -4.092 -21.996 -7.011 1.00 45.42 C ATOM 120 O ALA A 8 -3.376 -22.112 -8.007 1.00 14.13 O ATOM 121 CB ALA A 8 -5.537 -19.955 -6.953 1.00 33.43 C ATOM 0 H ALA A 8 -3.097 -19.278 -7.406 1.00 31.43 H new ATOM 0 HA ALA A 8 -4.473 -20.790 -5.296 1.00 30.33 H new ATOM 0 HB1 ALA A 8 -6.406 -20.602 -6.828 1.00 33.43 H new ATOM 0 HB2 ALA A 8 -5.712 -19.009 -6.441 1.00 33.43 H new ATOM 0 HB3 ALA A 8 -5.374 -19.768 -8.014 1.00 33.43 H new ATOM 127 N TYR A 9 -4.711 -23.023 -6.442 1.00 21.34 N ATOM 128 CA TYR A 9 -4.581 -24.379 -6.964 1.00 13.44 C ATOM 129 C TYR A 9 -5.950 -24.977 -7.271 1.00 75.13 C ATOM 130 O TYR A 9 -6.767 -25.184 -6.373 1.00 31.03 O ATOM 131 CB TYR A 9 -3.838 -25.265 -5.962 1.00 54.52 C ATOM 132 CG TYR A 9 -2.412 -24.830 -5.712 1.00 21.45 C ATOM 133 CD1 TYR A 9 -1.403 -25.132 -6.618 1.00 74.03 C ATOM 134 CD2 TYR A 9 -2.073 -24.118 -4.568 1.00 1.41 C ATOM 135 CE1 TYR A 9 -0.099 -24.738 -6.393 1.00 22.03 C ATOM 136 CE2 TYR A 9 -0.771 -23.718 -4.335 1.00 31.22 C ATOM 137 CZ TYR A 9 0.212 -24.031 -5.250 1.00 24.21 C ATOM 138 OH TYR A 9 1.511 -23.636 -5.022 1.00 54.32 O ATOM 0 H TYR A 9 -5.308 -22.943 -5.619 1.00 21.34 H new ATOM 0 HA TYR A 9 -4.009 -24.331 -7.891 1.00 13.44 H new ATOM 0 HB2 TYR A 9 -4.381 -25.264 -5.017 1.00 54.52 H new ATOM 0 HB3 TYR A 9 -3.837 -26.292 -6.328 1.00 54.52 H new ATOM 0 HD1 TYR A 9 -1.643 -25.685 -7.514 1.00 74.03 H new ATOM 0 HD2 TYR A 9 -2.840 -23.873 -3.849 1.00 1.41 H new ATOM 0 HE1 TYR A 9 0.673 -24.982 -7.108 1.00 22.03 H new ATOM 0 HE2 TYR A 9 -0.525 -23.164 -3.442 1.00 31.22 H new ATOM 0 HH TYR A 9 1.560 -23.147 -4.174 1.00 54.32 H new ATOM 148 N LEU A 10 -6.194 -25.254 -8.547 1.00 54.25 N ATOM 149 CA LEU A 10 -7.464 -25.830 -8.976 1.00 53.23 C ATOM 150 C LEU A 10 -7.476 -27.340 -8.764 1.00 75.20 C ATOM 151 O LEU A 10 -6.546 -28.042 -9.163 1.00 4.53 O ATOM 152 CB LEU A 10 -7.721 -25.508 -10.450 1.00 31.24 C ATOM 153 CG LEU A 10 -9.014 -26.068 -11.043 1.00 54.31 C ATOM 154 CD1 LEU A 10 -10.206 -25.690 -10.178 1.00 13.44 C ATOM 155 CD2 LEU A 10 -9.207 -25.568 -12.467 1.00 74.15 C ATOM 0 H LEU A 10 -5.529 -25.089 -9.303 1.00 54.25 H new ATOM 0 HA LEU A 10 -8.257 -25.390 -8.371 1.00 53.23 H new ATOM 0 HB2 LEU A 10 -7.730 -24.424 -10.568 1.00 31.24 H new ATOM 0 HB3 LEU A 10 -6.883 -25.886 -11.035 1.00 31.24 H new ATOM 0 HG LEU A 10 -8.939 -27.155 -11.067 1.00 54.31 H new ATOM 0 HD11 LEU A 10 -11.117 -26.097 -10.616 1.00 13.44 H new ATOM 0 HD12 LEU A 10 -10.072 -26.097 -9.176 1.00 13.44 H new ATOM 0 HD13 LEU A 10 -10.285 -24.604 -10.121 1.00 13.44 H new ATOM 0 HD21 LEU A 10 -10.132 -25.976 -12.874 1.00 74.15 H new ATOM 0 HD22 LEU A 10 -9.260 -24.479 -12.466 1.00 74.15 H new ATOM 0 HD23 LEU A 10 -8.367 -25.890 -13.083 1.00 74.15 H new ATOM 167 N LEU A 11 -8.537 -27.835 -8.136 1.00 20.52 N ATOM 168 CA LEU A 11 -8.672 -29.264 -7.872 1.00 52.14 C ATOM 169 C LEU A 11 -9.869 -29.844 -8.619 1.00 61.51 C ATOM 170 O LEU A 11 -10.819 -29.132 -8.940 1.00 2.42 O ATOM 171 CB LEU A 11 -8.823 -29.514 -6.371 1.00 14.42 C ATOM 172 CG LEU A 11 -8.037 -28.578 -5.452 1.00 43.13 C ATOM 173 CD1 LEU A 11 -8.141 -29.038 -4.006 1.00 43.44 C ATOM 174 CD2 LEU A 11 -6.580 -28.504 -5.887 1.00 32.31 C ATOM 0 H LEU A 11 -9.316 -27.269 -7.800 1.00 20.52 H new ATOM 0 HA LEU A 11 -7.769 -29.761 -8.227 1.00 52.14 H new ATOM 0 HB2 LEU A 11 -9.880 -29.439 -6.115 1.00 14.42 H new ATOM 0 HB3 LEU A 11 -8.516 -30.539 -6.161 1.00 14.42 H new ATOM 0 HG LEU A 11 -8.469 -27.580 -5.526 1.00 43.13 H new ATOM 0 HD11 LEU A 11 -7.575 -28.360 -3.367 1.00 43.44 H new ATOM 0 HD12 LEU A 11 -9.187 -29.039 -3.699 1.00 43.44 H new ATOM 0 HD13 LEU A 11 -7.735 -30.046 -3.915 1.00 43.44 H new ATOM 0 HD21 LEU A 11 -6.035 -27.834 -5.222 1.00 32.31 H new ATOM 0 HD22 LEU A 11 -6.136 -29.499 -5.843 1.00 32.31 H new ATOM 0 HD23 LEU A 11 -6.524 -28.127 -6.908 1.00 32.31 H new ATOM 186 N GLY A 12 -9.816 -31.145 -8.891 1.00 53.01 N ATOM 187 CA GLY A 12 -10.903 -31.800 -9.596 1.00 3.11 C ATOM 188 C GLY A 12 -11.700 -32.726 -8.700 1.00 34.15 C ATOM 189 O GLY A 12 -12.351 -32.280 -7.754 1.00 4.10 O ATOM 0 H GLY A 12 -9.040 -31.756 -8.636 1.00 53.01 H new ATOM 0 HA2 GLY A 12 -11.567 -31.044 -10.015 1.00 3.11 H new ATOM 0 HA3 GLY A 12 -10.498 -32.369 -10.433 1.00 3.11 H new ATOM 193 N LYS A 13 -11.653 -34.020 -8.997 1.00 30.32 N ATOM 194 CA LYS A 13 -12.377 -35.013 -8.212 1.00 22.13 C ATOM 195 C LYS A 13 -11.450 -35.696 -7.211 1.00 14.14 C ATOM 196 O LYS A 13 -11.823 -35.919 -6.059 1.00 72.45 O ATOM 197 CB LYS A 13 -13.010 -36.059 -9.132 1.00 43.15 C ATOM 198 CG LYS A 13 -13.561 -35.479 -10.423 1.00 41.24 C ATOM 199 CD LYS A 13 -12.579 -35.641 -11.572 1.00 31.23 C ATOM 200 CE LYS A 13 -13.042 -36.705 -12.555 1.00 35.21 C ATOM 201 NZ LYS A 13 -11.959 -37.100 -13.497 1.00 3.41 N ATOM 0 H LYS A 13 -11.120 -34.406 -9.777 1.00 30.32 H new ATOM 0 HA LYS A 13 -13.164 -34.499 -7.660 1.00 22.13 H new ATOM 0 HB2 LYS A 13 -12.265 -36.817 -9.373 1.00 43.15 H new ATOM 0 HB3 LYS A 13 -13.815 -36.562 -8.597 1.00 43.15 H new ATOM 0 HG2 LYS A 13 -14.500 -35.973 -10.673 1.00 41.24 H new ATOM 0 HG3 LYS A 13 -13.785 -34.422 -10.281 1.00 41.24 H new ATOM 0 HD2 LYS A 13 -12.465 -34.689 -12.091 1.00 31.23 H new ATOM 0 HD3 LYS A 13 -11.598 -35.909 -11.179 1.00 31.23 H new ATOM 0 HE2 LYS A 13 -13.383 -37.583 -12.006 1.00 35.21 H new ATOM 0 HE3 LYS A 13 -13.896 -36.330 -13.120 1.00 35.21 H new ATOM 0 HZ1 LYS A 13 -12.315 -37.827 -14.150 1.00 3.41 H new ATOM 0 HZ2 LYS A 13 -11.650 -36.268 -14.040 1.00 3.41 H new ATOM 0 HZ3 LYS A 13 -11.154 -37.481 -12.960 1.00 3.41 H new ATOM 215 N GLU A 14 -10.242 -36.023 -7.657 1.00 63.12 N ATOM 216 CA GLU A 14 -9.263 -36.680 -6.799 1.00 2.32 C ATOM 217 C GLU A 14 -8.311 -35.660 -6.180 1.00 13.13 C ATOM 218 O GLU A 14 -7.172 -35.983 -5.846 1.00 2.44 O ATOM 219 CB GLU A 14 -8.468 -37.717 -7.595 1.00 33.33 C ATOM 220 CG GLU A 14 -9.329 -38.570 -8.513 1.00 5.54 C ATOM 221 CD GLU A 14 -8.508 -39.513 -9.371 1.00 14.01 C ATOM 222 OE1 GLU A 14 -7.885 -40.437 -8.809 1.00 33.44 O ATOM 223 OE2 GLU A 14 -8.490 -39.326 -10.606 1.00 34.43 O ATOM 0 H GLU A 14 -9.917 -35.844 -8.607 1.00 63.12 H new ATOM 0 HA GLU A 14 -9.802 -37.184 -5.996 1.00 2.32 H new ATOM 0 HB2 GLU A 14 -7.713 -37.204 -8.191 1.00 33.33 H new ATOM 0 HB3 GLU A 14 -7.937 -38.368 -6.900 1.00 33.33 H new ATOM 0 HG2 GLU A 14 -10.031 -39.149 -7.913 1.00 5.54 H new ATOM 0 HG3 GLU A 14 -9.921 -37.920 -9.158 1.00 5.54 H new ATOM 230 N GLU A 15 -8.788 -34.428 -6.031 1.00 75.10 N ATOM 231 CA GLU A 15 -7.980 -33.361 -5.454 1.00 2.24 C ATOM 232 C GLU A 15 -6.635 -33.251 -6.166 1.00 62.12 C ATOM 233 O GLU A 15 -5.599 -33.051 -5.532 1.00 52.03 O ATOM 234 CB GLU A 15 -7.759 -33.609 -3.960 1.00 13.10 C ATOM 235 CG GLU A 15 -9.019 -34.024 -3.219 1.00 73.44 C ATOM 236 CD GLU A 15 -8.830 -34.049 -1.715 1.00 75.41 C ATOM 237 OE1 GLU A 15 -7.687 -34.273 -1.265 1.00 71.30 O ATOM 238 OE2 GLU A 15 -9.825 -33.846 -0.988 1.00 51.32 O ATOM 0 H GLU A 15 -9.730 -34.145 -6.302 1.00 75.10 H new ATOM 0 HA GLU A 15 -8.518 -32.422 -5.584 1.00 2.24 H new ATOM 0 HB2 GLU A 15 -7.003 -34.385 -3.837 1.00 13.10 H new ATOM 0 HB3 GLU A 15 -7.362 -32.702 -3.505 1.00 13.10 H new ATOM 0 HG2 GLU A 15 -9.826 -33.335 -3.469 1.00 73.44 H new ATOM 0 HG3 GLU A 15 -9.327 -35.013 -3.559 1.00 73.44 H new ATOM 245 N ALA A 16 -6.660 -33.384 -7.488 1.00 63.42 N ATOM 246 CA ALA A 16 -5.444 -33.299 -8.288 1.00 1.04 C ATOM 247 C ALA A 16 -5.346 -31.952 -8.996 1.00 71.21 C ATOM 248 O ALA A 16 -6.316 -31.480 -9.589 1.00 63.52 O ATOM 249 CB ALA A 16 -5.397 -34.434 -9.299 1.00 64.43 C ATOM 0 H ALA A 16 -7.509 -33.551 -8.028 1.00 63.42 H new ATOM 0 HA ALA A 16 -4.590 -33.390 -7.617 1.00 1.04 H new ATOM 0 HB1 ALA A 16 -4.484 -34.358 -9.889 1.00 64.43 H new ATOM 0 HB2 ALA A 16 -5.411 -35.389 -8.774 1.00 64.43 H new ATOM 0 HB3 ALA A 16 -6.262 -34.369 -9.959 1.00 64.43 H new ATOM 255 N ALA A 17 -4.170 -31.338 -8.930 1.00 4.24 N ATOM 256 CA ALA A 17 -3.945 -30.046 -9.566 1.00 14.21 C ATOM 257 C ALA A 17 -4.372 -30.073 -11.030 1.00 22.42 C ATOM 258 O ALA A 17 -3.696 -30.665 -11.872 1.00 10.12 O ATOM 259 CB ALA A 17 -2.482 -29.646 -9.448 1.00 31.10 C ATOM 0 H ALA A 17 -3.357 -31.715 -8.442 1.00 4.24 H new ATOM 0 HA ALA A 17 -4.555 -29.304 -9.050 1.00 14.21 H new ATOM 0 HB1 ALA A 17 -2.329 -28.679 -9.928 1.00 31.10 H new ATOM 0 HB2 ALA A 17 -2.208 -29.576 -8.395 1.00 31.10 H new ATOM 0 HB3 ALA A 17 -1.859 -30.396 -9.936 1.00 31.10 H new ATOM 265 N ARG A 18 -5.497 -29.431 -11.326 1.00 2.22 N ATOM 266 CA ARG A 18 -6.014 -29.384 -12.688 1.00 51.21 C ATOM 267 C ARG A 18 -5.427 -28.201 -13.452 1.00 44.12 C ATOM 268 O ARG A 18 -5.133 -28.304 -14.643 1.00 5.44 O ATOM 269 CB ARG A 18 -7.541 -29.288 -12.674 1.00 2.14 C ATOM 270 CG ARG A 18 -8.231 -30.610 -12.381 1.00 14.10 C ATOM 271 CD ARG A 18 -9.595 -30.686 -13.051 1.00 24.44 C ATOM 272 NE ARG A 18 -9.493 -31.062 -14.458 1.00 44.02 N ATOM 273 CZ ARG A 18 -10.541 -31.359 -15.217 1.00 54.35 C ATOM 274 NH1 ARG A 18 -11.765 -31.323 -14.707 1.00 63.22 N ATOM 275 NH2 ARG A 18 -10.368 -31.691 -16.490 1.00 62.23 N ATOM 0 H ARG A 18 -6.068 -28.936 -10.641 1.00 2.22 H new ATOM 0 HA ARG A 18 -5.719 -30.304 -13.193 1.00 51.21 H new ATOM 0 HB2 ARG A 18 -7.844 -28.556 -11.925 1.00 2.14 H new ATOM 0 HB3 ARG A 18 -7.882 -28.916 -13.640 1.00 2.14 H new ATOM 0 HG2 ARG A 18 -7.607 -31.433 -12.729 1.00 14.10 H new ATOM 0 HG3 ARG A 18 -8.346 -30.731 -11.304 1.00 14.10 H new ATOM 0 HD2 ARG A 18 -10.217 -31.411 -12.526 1.00 24.44 H new ATOM 0 HD3 ARG A 18 -10.094 -29.720 -12.969 1.00 24.44 H new ATOM 0 HE ARG A 18 -8.566 -31.099 -14.881 1.00 44.02 H new ATOM 0 HH11 ARG A 18 -11.903 -31.067 -13.729 1.00 63.22 H new ATOM 0 HH12 ARG A 18 -12.568 -31.552 -15.292 1.00 63.22 H new ATOM 0 HH21 ARG A 18 -9.429 -31.718 -16.887 1.00 62.23 H new ATOM 0 HH22 ARG A 18 -11.174 -31.919 -17.072 1.00 62.23 H new ATOM 289 N GLU A 19 -5.259 -27.079 -12.759 1.00 35.13 N ATOM 290 CA GLU A 19 -4.709 -25.877 -13.373 1.00 44.11 C ATOM 291 C GLU A 19 -4.037 -24.991 -12.328 1.00 51.50 C ATOM 292 O GLU A 19 -4.385 -25.033 -11.147 1.00 65.04 O ATOM 293 CB GLU A 19 -5.810 -25.094 -14.091 1.00 2.54 C ATOM 294 CG GLU A 19 -5.312 -24.303 -15.289 1.00 74.22 C ATOM 295 CD GLU A 19 -5.242 -25.140 -16.552 1.00 35.33 C ATOM 296 OE1 GLU A 19 -6.293 -25.319 -17.203 1.00 30.31 O ATOM 297 OE2 GLU A 19 -4.138 -25.616 -16.888 1.00 73.32 O ATOM 0 H GLU A 19 -5.496 -26.978 -11.772 1.00 35.13 H new ATOM 0 HA GLU A 19 -3.958 -26.183 -14.101 1.00 44.11 H new ATOM 0 HB2 GLU A 19 -6.582 -25.789 -14.421 1.00 2.54 H new ATOM 0 HB3 GLU A 19 -6.278 -24.410 -13.383 1.00 2.54 H new ATOM 0 HG2 GLU A 19 -5.972 -23.452 -15.458 1.00 74.22 H new ATOM 0 HG3 GLU A 19 -4.323 -23.901 -15.069 1.00 74.22 H new ATOM 304 N ILE A 20 -3.074 -24.189 -12.771 1.00 30.50 N ATOM 305 CA ILE A 20 -2.354 -23.293 -11.875 1.00 14.01 C ATOM 306 C ILE A 20 -2.374 -21.861 -12.398 1.00 10.31 C ATOM 307 O ILE A 20 -2.342 -21.630 -13.607 1.00 31.02 O ATOM 308 CB ILE A 20 -0.892 -23.739 -11.687 1.00 73.02 C ATOM 309 CG1 ILE A 20 -0.830 -25.232 -11.357 1.00 0.44 C ATOM 310 CG2 ILE A 20 -0.225 -22.920 -10.592 1.00 71.13 C ATOM 311 CD1 ILE A 20 -1.603 -25.608 -10.112 1.00 1.41 C ATOM 0 H ILE A 20 -2.775 -24.142 -13.745 1.00 30.50 H new ATOM 0 HA ILE A 20 -2.863 -23.333 -10.912 1.00 14.01 H new ATOM 0 HB ILE A 20 -0.353 -23.570 -12.619 1.00 73.02 H new ATOM 0 HG12 ILE A 20 -1.220 -25.799 -12.202 1.00 0.44 H new ATOM 0 HG13 ILE A 20 0.212 -25.525 -11.230 1.00 0.44 H new ATOM 0 HG21 ILE A 20 0.808 -23.247 -10.471 1.00 71.13 H new ATOM 0 HG22 ILE A 20 -0.242 -21.865 -10.865 1.00 71.13 H new ATOM 0 HG23 ILE A 20 -0.762 -23.060 -9.654 1.00 71.13 H new ATOM 0 HD11 ILE A 20 -1.515 -26.681 -9.939 1.00 1.41 H new ATOM 0 HD12 ILE A 20 -1.199 -25.068 -9.256 1.00 1.41 H new ATOM 0 HD13 ILE A 20 -2.653 -25.347 -10.243 1.00 1.41 H new ATOM 323 N ARG A 21 -2.425 -20.902 -11.479 1.00 41.21 N ATOM 324 CA ARG A 21 -2.448 -19.491 -11.847 1.00 61.33 C ATOM 325 C ARG A 21 -2.207 -18.607 -10.627 1.00 51.14 C ATOM 326 O ARG A 21 -2.567 -18.967 -9.507 1.00 14.14 O ATOM 327 CB ARG A 21 -3.787 -19.133 -12.494 1.00 12.10 C ATOM 328 CG ARG A 21 -3.687 -18.024 -13.529 1.00 24.31 C ATOM 329 CD ARG A 21 -2.833 -18.445 -14.715 1.00 31.30 C ATOM 330 NE ARG A 21 -3.220 -17.753 -15.941 1.00 74.12 N ATOM 331 CZ ARG A 21 -2.921 -16.484 -16.195 1.00 1.04 C ATOM 332 NH1 ARG A 21 -2.234 -15.773 -15.312 1.00 4.52 N ATOM 333 NH2 ARG A 21 -3.309 -15.924 -17.334 1.00 24.25 N ATOM 0 H ARG A 21 -2.451 -21.076 -10.474 1.00 41.21 H new ATOM 0 HA ARG A 21 -1.647 -19.315 -12.565 1.00 61.33 H new ATOM 0 HB2 ARG A 21 -4.202 -20.023 -12.967 1.00 12.10 H new ATOM 0 HB3 ARG A 21 -4.487 -18.830 -11.716 1.00 12.10 H new ATOM 0 HG2 ARG A 21 -4.685 -17.756 -13.875 1.00 24.31 H new ATOM 0 HG3 ARG A 21 -3.259 -17.133 -13.069 1.00 24.31 H new ATOM 0 HD2 ARG A 21 -1.785 -18.239 -14.498 1.00 31.30 H new ATOM 0 HD3 ARG A 21 -2.923 -19.521 -14.862 1.00 31.30 H new ATOM 0 HE ARG A 21 -3.749 -18.273 -16.641 1.00 74.12 H new ATOM 0 HH11 ARG A 21 -1.934 -16.200 -14.436 1.00 4.52 H new ATOM 0 HH12 ARG A 21 -2.005 -14.799 -15.509 1.00 4.52 H new ATOM 0 HH21 ARG A 21 -3.838 -16.468 -18.016 1.00 24.25 H new ATOM 0 HH22 ARG A 21 -3.079 -14.949 -17.528 1.00 24.25 H new ATOM 347 N ARG A 22 -1.595 -17.449 -10.854 1.00 34.01 N ATOM 348 CA ARG A 22 -1.305 -16.514 -9.774 1.00 22.35 C ATOM 349 C ARG A 22 -1.332 -15.075 -10.278 1.00 51.52 C ATOM 350 O ARG A 22 -1.066 -14.812 -11.451 1.00 54.43 O ATOM 351 CB ARG A 22 0.060 -16.824 -9.156 1.00 42.31 C ATOM 352 CG ARG A 22 1.212 -16.721 -10.142 1.00 61.34 C ATOM 353 CD ARG A 22 2.520 -17.186 -9.521 1.00 42.24 C ATOM 354 NE ARG A 22 3.674 -16.506 -10.103 1.00 42.42 N ATOM 355 CZ ARG A 22 4.891 -16.536 -9.571 1.00 32.14 C ATOM 356 NH1 ARG A 22 5.111 -17.210 -8.450 1.00 71.23 N ATOM 357 NH2 ARG A 22 5.890 -15.892 -10.159 1.00 44.12 N ATOM 0 H ARG A 22 -1.291 -17.136 -11.776 1.00 34.01 H new ATOM 0 HA ARG A 22 -2.076 -16.628 -9.012 1.00 22.35 H new ATOM 0 HB2 ARG A 22 0.239 -16.138 -8.328 1.00 42.31 H new ATOM 0 HB3 ARG A 22 0.040 -17.830 -8.737 1.00 42.31 H new ATOM 0 HG2 ARG A 22 0.992 -17.323 -11.024 1.00 61.34 H new ATOM 0 HG3 ARG A 22 1.314 -15.689 -10.478 1.00 61.34 H new ATOM 0 HD2 ARG A 22 2.496 -17.004 -8.447 1.00 42.24 H new ATOM 0 HD3 ARG A 22 2.625 -18.262 -9.660 1.00 42.24 H new ATOM 0 HE ARG A 22 3.538 -15.979 -10.966 1.00 42.42 H new ATOM 0 HH11 ARG A 22 4.345 -17.707 -7.995 1.00 71.23 H new ATOM 0 HH12 ARG A 22 6.046 -17.232 -8.043 1.00 71.23 H new ATOM 0 HH21 ARG A 22 5.725 -15.373 -11.021 1.00 44.12 H new ATOM 0 HH22 ARG A 22 6.824 -15.916 -9.749 1.00 44.12 H new ATOM 371 N PHE A 23 -1.656 -14.146 -9.384 1.00 43.24 N ATOM 372 CA PHE A 23 -1.719 -12.733 -9.739 1.00 54.21 C ATOM 373 C PHE A 23 -1.101 -11.869 -8.644 1.00 41.31 C ATOM 374 O PHE A 23 -0.832 -12.344 -7.541 1.00 63.20 O ATOM 375 CB PHE A 23 -3.170 -12.310 -9.979 1.00 73.33 C ATOM 376 CG PHE A 23 -4.040 -12.433 -8.761 1.00 21.41 C ATOM 377 CD1 PHE A 23 -4.526 -13.668 -8.362 1.00 60.23 C ATOM 378 CD2 PHE A 23 -4.371 -11.314 -8.014 1.00 20.51 C ATOM 379 CE1 PHE A 23 -5.327 -13.784 -7.242 1.00 51.01 C ATOM 380 CE2 PHE A 23 -5.171 -11.424 -6.892 1.00 74.13 C ATOM 381 CZ PHE A 23 -5.649 -12.661 -6.505 1.00 51.24 C ATOM 0 H PHE A 23 -1.879 -14.346 -8.409 1.00 43.24 H new ATOM 0 HA PHE A 23 -1.149 -12.589 -10.657 1.00 54.21 H new ATOM 0 HB2 PHE A 23 -3.186 -11.276 -10.324 1.00 73.33 H new ATOM 0 HB3 PHE A 23 -3.590 -12.920 -10.779 1.00 73.33 H new ATOM 0 HD1 PHE A 23 -4.276 -14.550 -8.933 1.00 60.23 H new ATOM 0 HD2 PHE A 23 -4.000 -10.345 -8.312 1.00 20.51 H new ATOM 0 HE1 PHE A 23 -5.701 -14.752 -6.943 1.00 51.01 H new ATOM 0 HE2 PHE A 23 -5.422 -10.544 -6.319 1.00 74.13 H new ATOM 0 HZ PHE A 23 -6.273 -12.750 -5.628 1.00 51.24 H new ATOM 391 N SER A 24 -0.878 -10.596 -8.958 1.00 22.43 N ATOM 392 CA SER A 24 -0.287 -9.666 -8.003 1.00 30.12 C ATOM 393 C SER A 24 -1.368 -8.982 -7.171 1.00 43.22 C ATOM 394 O SER A 24 -2.384 -8.533 -7.701 1.00 52.05 O ATOM 395 CB SER A 24 0.551 -8.616 -8.734 1.00 4.31 C ATOM 396 OG SER A 24 1.519 -9.227 -9.570 1.00 54.10 O ATOM 0 H SER A 24 -1.098 -10.186 -9.866 1.00 22.43 H new ATOM 0 HA SER A 24 0.359 -10.233 -7.332 1.00 30.12 H new ATOM 0 HB2 SER A 24 -0.100 -7.979 -9.332 1.00 4.31 H new ATOM 0 HB3 SER A 24 1.047 -7.972 -8.008 1.00 4.31 H new ATOM 0 HG SER A 24 2.040 -8.534 -10.027 1.00 54.10 H new ATOM 402 N PHE A 25 -1.140 -8.906 -5.864 1.00 53.01 N ATOM 403 CA PHE A 25 -2.094 -8.278 -4.957 1.00 40.34 C ATOM 404 C PHE A 25 -1.432 -7.155 -4.164 1.00 42.34 C ATOM 405 O PHE A 25 -0.206 -7.094 -4.058 1.00 72.34 O ATOM 406 CB PHE A 25 -2.680 -9.317 -3.999 1.00 41.04 C ATOM 407 CG PHE A 25 -3.927 -8.854 -3.302 1.00 51.23 C ATOM 408 CD1 PHE A 25 -5.126 -8.757 -3.990 1.00 60.44 C ATOM 409 CD2 PHE A 25 -3.901 -8.515 -1.959 1.00 61.31 C ATOM 410 CE1 PHE A 25 -6.275 -8.331 -3.351 1.00 42.34 C ATOM 411 CE2 PHE A 25 -5.047 -8.088 -1.315 1.00 23.44 C ATOM 412 CZ PHE A 25 -6.235 -7.997 -2.012 1.00 15.03 C ATOM 0 H PHE A 25 -0.303 -9.271 -5.409 1.00 53.01 H new ATOM 0 HA PHE A 25 -2.899 -7.851 -5.555 1.00 40.34 H new ATOM 0 HB2 PHE A 25 -2.901 -10.228 -4.555 1.00 41.04 H new ATOM 0 HB3 PHE A 25 -1.930 -9.574 -3.251 1.00 41.04 H new ATOM 0 HD1 PHE A 25 -5.163 -9.017 -5.038 1.00 60.44 H new ATOM 0 HD2 PHE A 25 -2.974 -8.585 -1.409 1.00 61.31 H new ATOM 0 HE1 PHE A 25 -7.203 -8.259 -3.899 1.00 42.34 H new ATOM 0 HE2 PHE A 25 -5.013 -7.826 -0.268 1.00 23.44 H new ATOM 0 HZ PHE A 25 -7.132 -7.665 -1.511 1.00 15.03 H new ATOM 422 N CYS A 26 -2.251 -6.268 -3.610 1.00 43.21 N ATOM 423 CA CYS A 26 -1.746 -5.145 -2.828 1.00 25.35 C ATOM 424 C CYS A 26 -1.765 -5.469 -1.337 1.00 63.12 C ATOM 425 O CYS A 26 -2.681 -6.129 -0.846 1.00 41.03 O ATOM 426 CB CYS A 26 -2.577 -3.891 -3.100 1.00 74.31 C ATOM 427 SG CYS A 26 -1.825 -2.749 -4.283 1.00 33.20 S ATOM 0 H CYS A 26 -3.267 -6.305 -3.688 1.00 43.21 H new ATOM 0 HA CYS A 26 -0.715 -4.960 -3.129 1.00 25.35 H new ATOM 0 HB2 CYS A 26 -3.556 -4.191 -3.473 1.00 74.31 H new ATOM 0 HB3 CYS A 26 -2.742 -3.366 -2.159 1.00 74.31 H new ATOM 0 HG CYS A 26 -2.603 -1.721 -4.449 1.00 33.20 H new ATOM 433 N PHE A 27 -0.747 -5.002 -0.622 1.00 44.14 N ATOM 434 CA PHE A 27 -0.645 -5.244 0.812 1.00 2.10 C ATOM 435 C PHE A 27 -1.733 -4.489 1.570 1.00 51.14 C ATOM 436 O PHE A 27 -1.970 -4.740 2.751 1.00 1.32 O ATOM 437 CB PHE A 27 0.734 -4.824 1.325 1.00 63.10 C ATOM 438 CG PHE A 27 1.102 -5.452 2.639 1.00 14.43 C ATOM 439 CD1 PHE A 27 0.776 -4.830 3.834 1.00 44.31 C ATOM 440 CD2 PHE A 27 1.773 -6.663 2.680 1.00 75.30 C ATOM 441 CE1 PHE A 27 1.113 -5.405 5.045 1.00 14.41 C ATOM 442 CE2 PHE A 27 2.111 -7.243 3.888 1.00 31.10 C ATOM 443 CZ PHE A 27 1.782 -6.612 5.072 1.00 34.50 C ATOM 0 H PHE A 27 0.019 -4.454 -1.013 1.00 44.14 H new ATOM 0 HA PHE A 27 -0.780 -6.312 0.985 1.00 2.10 H new ATOM 0 HB2 PHE A 27 1.486 -5.089 0.582 1.00 63.10 H new ATOM 0 HB3 PHE A 27 0.759 -3.739 1.430 1.00 63.10 H new ATOM 0 HD1 PHE A 27 0.253 -3.885 3.819 1.00 44.31 H new ATOM 0 HD2 PHE A 27 2.035 -7.160 1.757 1.00 75.30 H new ATOM 0 HE1 PHE A 27 0.853 -4.910 5.969 1.00 14.41 H new ATOM 0 HE2 PHE A 27 2.632 -8.189 3.906 1.00 31.10 H new ATOM 0 HZ PHE A 27 2.048 -7.062 6.017 1.00 34.50 H new ATOM 453 N SER A 28 -2.392 -3.563 0.880 1.00 4.43 N ATOM 454 CA SER A 28 -3.452 -2.767 1.488 1.00 21.21 C ATOM 455 C SER A 28 -4.581 -3.661 1.991 1.00 33.12 C ATOM 456 O SER A 28 -4.727 -4.812 1.578 1.00 13.14 O ATOM 457 CB SER A 28 -3.999 -1.753 0.481 1.00 23.24 C ATOM 458 OG SER A 28 -3.284 -0.532 0.548 1.00 3.45 O ATOM 0 H SER A 28 -2.211 -3.346 -0.100 1.00 4.43 H new ATOM 0 HA SER A 28 -3.029 -2.232 2.338 1.00 21.21 H new ATOM 0 HB2 SER A 28 -3.931 -2.163 -0.527 1.00 23.24 H new ATOM 0 HB3 SER A 28 -5.055 -1.571 0.680 1.00 23.24 H new ATOM 0 HG SER A 28 -3.651 0.099 -0.106 1.00 3.45 H new ATOM 464 N PRO A 29 -5.400 -3.120 2.905 1.00 34.22 N ATOM 465 CA PRO A 29 -6.532 -3.850 3.485 1.00 62.21 C ATOM 466 C PRO A 29 -7.651 -4.081 2.475 1.00 30.43 C ATOM 467 O PRO A 29 -8.165 -5.192 2.349 1.00 62.30 O ATOM 468 CB PRO A 29 -7.009 -2.929 4.611 1.00 61.24 C ATOM 469 CG PRO A 29 -6.574 -1.566 4.195 1.00 71.32 C ATOM 470 CD PRO A 29 -5.286 -1.754 3.443 1.00 64.13 C ATOM 0 HA PRO A 29 -6.245 -4.846 3.823 1.00 62.21 H new ATOM 0 HB2 PRO A 29 -8.091 -2.979 4.732 1.00 61.24 H new ATOM 0 HB3 PRO A 29 -6.568 -3.211 5.567 1.00 61.24 H new ATOM 0 HG2 PRO A 29 -7.327 -1.091 3.566 1.00 71.32 H new ATOM 0 HG3 PRO A 29 -6.429 -0.921 5.062 1.00 71.32 H new ATOM 0 HD2 PRO A 29 -5.174 -1.017 2.648 1.00 64.13 H new ATOM 0 HD3 PRO A 29 -4.420 -1.651 4.097 1.00 64.13 H new ATOM 478 N GLU A 30 -8.023 -3.025 1.759 1.00 72.20 N ATOM 479 CA GLU A 30 -9.082 -3.115 0.761 1.00 54.22 C ATOM 480 C GLU A 30 -8.856 -2.109 -0.364 1.00 53.13 C ATOM 481 O GLU A 30 -8.222 -1.069 -0.183 1.00 74.13 O ATOM 482 CB GLU A 30 -10.447 -2.873 1.409 1.00 1.15 C ATOM 483 CG GLU A 30 -10.756 -3.827 2.550 1.00 32.45 C ATOM 484 CD GLU A 30 -12.138 -3.609 3.135 1.00 31.04 C ATOM 485 OE1 GLU A 30 -12.876 -2.751 2.608 1.00 50.42 O ATOM 486 OE2 GLU A 30 -12.481 -4.296 4.120 1.00 14.42 O ATOM 0 H GLU A 30 -7.607 -2.098 1.851 1.00 72.20 H new ATOM 0 HA GLU A 30 -9.062 -4.119 0.337 1.00 54.22 H new ATOM 0 HB2 GLU A 30 -10.487 -1.849 1.781 1.00 1.15 H new ATOM 0 HB3 GLU A 30 -11.222 -2.966 0.649 1.00 1.15 H new ATOM 0 HG2 GLU A 30 -10.675 -4.853 2.192 1.00 32.45 H new ATOM 0 HG3 GLU A 30 -10.010 -3.703 3.335 1.00 32.45 H new ATOM 493 N PRO A 31 -9.386 -2.425 -1.555 1.00 54.22 N ATOM 494 CA PRO A 31 -9.256 -1.562 -2.733 1.00 71.55 C ATOM 495 C PRO A 31 -10.066 -0.277 -2.604 1.00 34.33 C ATOM 496 O PRO A 31 -9.673 0.769 -3.118 1.00 10.11 O ATOM 497 CB PRO A 31 -9.806 -2.429 -3.870 1.00 3.25 C ATOM 498 CG PRO A 31 -10.738 -3.381 -3.203 1.00 43.10 C ATOM 499 CD PRO A 31 -10.154 -3.648 -1.843 1.00 53.10 C ATOM 0 HA PRO A 31 -8.228 -1.235 -2.886 1.00 71.55 H new ATOM 0 HB2 PRO A 31 -10.324 -1.824 -4.614 1.00 3.25 H new ATOM 0 HB3 PRO A 31 -9.005 -2.956 -4.389 1.00 3.25 H new ATOM 0 HG2 PRO A 31 -11.738 -2.955 -3.122 1.00 43.10 H new ATOM 0 HG3 PRO A 31 -10.830 -4.304 -3.776 1.00 43.10 H new ATOM 0 HD2 PRO A 31 -10.931 -3.819 -1.098 1.00 53.10 H new ATOM 0 HD3 PRO A 31 -9.516 -4.532 -1.846 1.00 53.10 H new ATOM 507 N GLU A 32 -11.199 -0.364 -1.913 1.00 70.31 N ATOM 508 CA GLU A 32 -12.064 0.793 -1.717 1.00 11.00 C ATOM 509 C GLU A 32 -11.917 1.349 -0.304 1.00 3.24 C ATOM 510 O GLU A 32 -11.110 0.860 0.486 1.00 4.11 O ATOM 511 CB GLU A 32 -13.524 0.417 -1.979 1.00 61.31 C ATOM 512 CG GLU A 32 -13.861 0.277 -3.454 1.00 51.31 C ATOM 513 CD GLU A 32 -13.493 -1.085 -4.010 1.00 53.44 C ATOM 514 OE1 GLU A 32 -14.115 -2.083 -3.591 1.00 71.54 O ATOM 515 OE2 GLU A 32 -12.584 -1.152 -4.864 1.00 13.22 O ATOM 0 H GLU A 32 -11.538 -1.223 -1.480 1.00 70.31 H new ATOM 0 HA GLU A 32 -11.762 1.564 -2.426 1.00 11.00 H new ATOM 0 HB2 GLU A 32 -13.745 -0.523 -1.474 1.00 61.31 H new ATOM 0 HB3 GLU A 32 -14.171 1.175 -1.538 1.00 61.31 H new ATOM 0 HG2 GLU A 32 -14.928 0.447 -3.597 1.00 51.31 H new ATOM 0 HG3 GLU A 32 -13.337 1.049 -4.017 1.00 51.31 H new ATOM 522 N ALA A 33 -12.702 2.375 0.007 1.00 12.21 N ATOM 523 CA ALA A 33 -12.661 2.997 1.325 1.00 42.45 C ATOM 524 C ALA A 33 -14.067 3.230 1.866 1.00 12.31 C ATOM 525 O ALA A 33 -14.328 3.022 3.050 1.00 1.14 O ATOM 526 CB ALA A 33 -11.892 4.309 1.265 1.00 52.22 C ATOM 0 H ALA A 33 -13.374 2.793 -0.636 1.00 12.21 H new ATOM 0 HA ALA A 33 -12.147 2.318 2.005 1.00 42.45 H new ATOM 0 HB1 ALA A 33 -11.869 4.763 2.256 1.00 52.22 H new ATOM 0 HB2 ALA A 33 -10.873 4.118 0.930 1.00 52.22 H new ATOM 0 HB3 ALA A 33 -12.383 4.987 0.567 1.00 52.22 H new ATOM 532 N GLU A 34 -14.969 3.664 0.991 1.00 11.10 N ATOM 533 CA GLU A 34 -16.349 3.927 1.384 1.00 63.54 C ATOM 534 C GLU A 34 -17.307 2.977 0.671 1.00 32.41 C ATOM 535 O GLU A 34 -18.280 2.503 1.258 1.00 5.34 O ATOM 536 CB GLU A 34 -16.724 5.377 1.071 1.00 32.42 C ATOM 537 CG GLU A 34 -16.115 6.384 2.032 1.00 31.42 C ATOM 538 CD GLU A 34 -16.482 7.814 1.688 1.00 0.11 C ATOM 539 OE1 GLU A 34 -17.584 8.254 2.079 1.00 24.22 O ATOM 540 OE2 GLU A 34 -15.668 8.494 1.028 1.00 35.40 O ATOM 0 H GLU A 34 -14.769 3.841 0.006 1.00 11.10 H new ATOM 0 HA GLU A 34 -16.432 3.762 2.458 1.00 63.54 H new ATOM 0 HB2 GLU A 34 -16.404 5.616 0.057 1.00 32.42 H new ATOM 0 HB3 GLU A 34 -17.809 5.476 1.094 1.00 32.42 H new ATOM 0 HG2 GLU A 34 -16.448 6.161 3.046 1.00 31.42 H new ATOM 0 HG3 GLU A 34 -15.030 6.279 2.023 1.00 31.42 H new ATOM 547 N ALA A 35 -17.025 2.703 -0.599 1.00 12.35 N ATOM 548 CA ALA A 35 -17.860 1.810 -1.391 1.00 74.52 C ATOM 549 C ALA A 35 -18.084 0.484 -0.671 1.00 4.10 C ATOM 550 O ALA A 35 -19.213 0.137 -0.325 1.00 44.24 O ATOM 551 CB ALA A 35 -17.231 1.571 -2.756 1.00 13.40 C ATOM 0 H ALA A 35 -16.224 3.087 -1.101 1.00 12.35 H new ATOM 0 HA ALA A 35 -18.830 2.288 -1.528 1.00 74.52 H new ATOM 0 HB1 ALA A 35 -17.866 0.902 -3.337 1.00 13.40 H new ATOM 0 HB2 ALA A 35 -17.129 2.521 -3.281 1.00 13.40 H new ATOM 0 HB3 ALA A 35 -16.247 1.119 -2.629 1.00 13.40 H new ATOM 557 N ALA A 36 -17.000 -0.253 -0.449 1.00 13.05 N ATOM 558 CA ALA A 36 -17.078 -1.540 0.232 1.00 53.32 C ATOM 559 C ALA A 36 -17.838 -1.419 1.549 1.00 64.33 C ATOM 560 O ALA A 36 -17.684 -0.439 2.277 1.00 31.52 O ATOM 561 CB ALA A 36 -15.682 -2.094 0.474 1.00 73.21 C ATOM 0 H ALA A 36 -16.058 0.019 -0.731 1.00 13.05 H new ATOM 0 HA ALA A 36 -17.625 -2.231 -0.410 1.00 53.32 H new ATOM 0 HB1 ALA A 36 -15.755 -3.055 0.983 1.00 73.21 H new ATOM 0 HB2 ALA A 36 -15.173 -2.227 -0.481 1.00 73.21 H new ATOM 0 HB3 ALA A 36 -15.116 -1.398 1.093 1.00 73.21 H new ATOM 567 N ALA A 37 -18.657 -2.422 1.847 1.00 15.25 N ATOM 568 CA ALA A 37 -19.440 -2.428 3.077 1.00 24.35 C ATOM 569 C ALA A 37 -19.169 -3.688 3.894 1.00 41.35 C ATOM 570 O ALA A 37 -20.088 -4.440 4.216 1.00 44.23 O ATOM 571 CB ALA A 37 -20.923 -2.311 2.760 1.00 31.32 C ATOM 0 H ALA A 37 -18.796 -3.240 1.254 1.00 15.25 H new ATOM 0 HA ALA A 37 -19.139 -1.567 3.674 1.00 24.35 H new ATOM 0 HB1 ALA A 37 -21.495 -2.317 3.688 1.00 31.32 H new ATOM 0 HB2 ALA A 37 -21.108 -1.379 2.225 1.00 31.32 H new ATOM 0 HB3 ALA A 37 -21.230 -3.153 2.139 1.00 31.32 H new ATOM 577 N GLY A 38 -17.901 -3.912 4.224 1.00 3.14 N ATOM 578 CA GLY A 38 -17.532 -5.082 4.999 1.00 31.24 C ATOM 579 C GLY A 38 -16.365 -5.835 4.393 1.00 61.33 C ATOM 580 O GLY A 38 -15.233 -5.759 4.871 1.00 11.02 O ATOM 0 H GLY A 38 -17.123 -3.304 3.969 1.00 3.14 H new ATOM 0 HA2 GLY A 38 -17.275 -4.776 6.013 1.00 31.24 H new ATOM 0 HA3 GLY A 38 -18.391 -5.749 5.075 1.00 31.24 H new ATOM 584 N PRO A 39 -16.636 -6.585 3.314 1.00 42.11 N ATOM 585 CA PRO A 39 -15.612 -7.371 2.619 1.00 50.44 C ATOM 586 C PRO A 39 -14.610 -6.491 1.878 1.00 75.54 C ATOM 587 O PRO A 39 -14.606 -5.271 2.034 1.00 23.34 O ATOM 588 CB PRO A 39 -16.422 -8.211 1.628 1.00 42.32 C ATOM 589 CG PRO A 39 -17.666 -7.425 1.393 1.00 21.35 C ATOM 590 CD PRO A 39 -17.962 -6.723 2.689 1.00 13.45 C ATOM 0 HA PRO A 39 -15.013 -7.963 3.311 1.00 50.44 H new ATOM 0 HB2 PRO A 39 -15.872 -8.368 0.700 1.00 42.32 H new ATOM 0 HB3 PRO A 39 -16.647 -9.196 2.036 1.00 42.32 H new ATOM 0 HG2 PRO A 39 -17.528 -6.708 0.583 1.00 21.35 H new ATOM 0 HG3 PRO A 39 -18.491 -8.077 1.105 1.00 21.35 H new ATOM 0 HD2 PRO A 39 -18.430 -5.753 2.522 1.00 13.45 H new ATOM 0 HD3 PRO A 39 -18.642 -7.302 3.313 1.00 13.45 H new ATOM 598 N GLY A 40 -13.763 -7.120 1.069 1.00 63.13 N ATOM 599 CA GLY A 40 -12.768 -6.379 0.315 1.00 14.32 C ATOM 600 C GLY A 40 -11.768 -7.286 -0.373 1.00 5.41 C ATOM 601 O GLY A 40 -11.756 -7.417 -1.597 1.00 20.41 O ATOM 0 H GLY A 40 -13.748 -8.129 0.922 1.00 63.13 H new ATOM 0 HA2 GLY A 40 -13.268 -5.762 -0.432 1.00 14.32 H new ATOM 0 HA3 GLY A 40 -12.239 -5.702 0.985 1.00 14.32 H new ATOM 605 N PRO A 41 -10.901 -7.929 0.424 1.00 73.45 N ATOM 606 CA PRO A 41 -9.875 -8.839 -0.095 1.00 1.23 C ATOM 607 C PRO A 41 -10.470 -10.127 -0.653 1.00 12.10 C ATOM 608 O PRO A 41 -10.100 -10.573 -1.740 1.00 0.13 O ATOM 609 CB PRO A 41 -9.012 -9.137 1.134 1.00 51.01 C ATOM 610 CG PRO A 41 -9.920 -8.924 2.295 1.00 34.04 C ATOM 611 CD PRO A 41 -10.857 -7.820 1.891 1.00 14.43 C ATOM 0 HA PRO A 41 -9.322 -8.399 -0.925 1.00 1.23 H new ATOM 0 HB2 PRO A 41 -8.631 -10.158 1.112 1.00 51.01 H new ATOM 0 HB3 PRO A 41 -8.148 -8.475 1.181 1.00 51.01 H new ATOM 0 HG2 PRO A 41 -10.470 -9.835 2.533 1.00 34.04 H new ATOM 0 HG3 PRO A 41 -9.356 -8.650 3.187 1.00 34.04 H new ATOM 0 HD2 PRO A 41 -11.845 -7.950 2.333 1.00 14.43 H new ATOM 0 HD3 PRO A 41 -10.490 -6.845 2.211 1.00 14.43 H new ATOM 619 N CYS A 42 -11.393 -10.720 0.096 1.00 54.51 N ATOM 620 CA CYS A 42 -12.040 -11.958 -0.325 1.00 1.43 C ATOM 621 C CYS A 42 -12.703 -11.789 -1.688 1.00 1.22 C ATOM 622 O CYS A 42 -12.418 -12.535 -2.623 1.00 61.44 O ATOM 623 CB CYS A 42 -13.078 -12.392 0.711 1.00 72.33 C ATOM 624 SG CYS A 42 -14.076 -13.812 0.204 1.00 74.22 S ATOM 0 H CYS A 42 -11.710 -10.364 0.998 1.00 54.51 H new ATOM 0 HA CYS A 42 -11.275 -12.730 -0.408 1.00 1.43 H new ATOM 0 HB2 CYS A 42 -12.567 -12.635 1.643 1.00 72.33 H new ATOM 0 HB3 CYS A 42 -13.740 -11.552 0.920 1.00 72.33 H new ATOM 0 HG CYS A 42 -15.309 -13.630 0.573 1.00 74.22 H new ATOM 630 N GLU A 43 -13.590 -10.804 -1.791 1.00 3.20 N ATOM 631 CA GLU A 43 -14.295 -10.540 -3.040 1.00 10.54 C ATOM 632 C GLU A 43 -13.314 -10.190 -4.155 1.00 51.01 C ATOM 633 O GLU A 43 -13.602 -10.392 -5.335 1.00 0.41 O ATOM 634 CB GLU A 43 -15.299 -9.400 -2.853 1.00 20.03 C ATOM 635 CG GLU A 43 -15.906 -8.904 -4.154 1.00 72.34 C ATOM 636 CD GLU A 43 -16.704 -9.976 -4.871 1.00 55.01 C ATOM 637 OE1 GLU A 43 -17.282 -10.845 -4.185 1.00 50.12 O ATOM 638 OE2 GLU A 43 -16.751 -9.945 -6.119 1.00 14.02 O ATOM 0 H GLU A 43 -13.837 -10.177 -1.026 1.00 3.20 H new ATOM 0 HA GLU A 43 -14.832 -11.445 -3.323 1.00 10.54 H new ATOM 0 HB2 GLU A 43 -16.099 -9.736 -2.194 1.00 20.03 H new ATOM 0 HB3 GLU A 43 -14.803 -8.568 -2.353 1.00 20.03 H new ATOM 0 HG2 GLU A 43 -16.553 -8.052 -3.947 1.00 72.34 H new ATOM 0 HG3 GLU A 43 -15.111 -8.549 -4.809 1.00 72.34 H new ATOM 645 N ARG A 44 -12.155 -9.665 -3.772 1.00 41.54 N ATOM 646 CA ARG A 44 -11.132 -9.285 -4.739 1.00 41.03 C ATOM 647 C ARG A 44 -10.407 -10.516 -5.275 1.00 63.01 C ATOM 648 O ARG A 44 -10.234 -10.671 -6.485 1.00 12.31 O ATOM 649 CB ARG A 44 -10.126 -8.326 -4.100 1.00 14.41 C ATOM 650 CG ARG A 44 -10.496 -6.860 -4.260 1.00 34.12 C ATOM 651 CD ARG A 44 -9.960 -6.289 -5.563 1.00 75.35 C ATOM 652 NE ARG A 44 -10.791 -5.198 -6.066 1.00 31.04 N ATOM 653 CZ ARG A 44 -10.415 -4.377 -7.040 1.00 14.22 C ATOM 654 NH1 ARG A 44 -9.229 -4.523 -7.614 1.00 12.32 N ATOM 655 NH2 ARG A 44 -11.227 -3.407 -7.442 1.00 32.31 N ATOM 0 H ARG A 44 -11.901 -9.493 -2.799 1.00 41.54 H new ATOM 0 HA ARG A 44 -11.624 -8.782 -5.572 1.00 41.03 H new ATOM 0 HB2 ARG A 44 -10.041 -8.557 -3.038 1.00 14.41 H new ATOM 0 HB3 ARG A 44 -9.144 -8.495 -4.543 1.00 14.41 H new ATOM 0 HG2 ARG A 44 -11.580 -6.752 -4.233 1.00 34.12 H new ATOM 0 HG3 ARG A 44 -10.098 -6.290 -3.421 1.00 34.12 H new ATOM 0 HD2 ARG A 44 -8.943 -5.929 -5.409 1.00 75.35 H new ATOM 0 HD3 ARG A 44 -9.908 -7.080 -6.311 1.00 75.35 H new ATOM 0 HE ARG A 44 -11.710 -5.059 -5.646 1.00 31.04 H new ATOM 0 HH11 ARG A 44 -8.602 -5.267 -7.308 1.00 12.32 H new ATOM 0 HH12 ARG A 44 -8.943 -3.891 -8.362 1.00 12.32 H new ATOM 0 HH21 ARG A 44 -12.140 -3.292 -7.003 1.00 32.31 H new ATOM 0 HH22 ARG A 44 -10.938 -2.777 -8.190 1.00 32.31 H new ATOM 669 N LEU A 45 -9.984 -11.389 -4.367 1.00 42.32 N ATOM 670 CA LEU A 45 -9.276 -12.606 -4.748 1.00 34.52 C ATOM 671 C LEU A 45 -10.194 -13.551 -5.517 1.00 61.15 C ATOM 672 O LEU A 45 -9.853 -14.015 -6.606 1.00 41.04 O ATOM 673 CB LEU A 45 -8.727 -13.310 -3.506 1.00 32.14 C ATOM 674 CG LEU A 45 -8.365 -14.786 -3.675 1.00 41.13 C ATOM 675 CD1 LEU A 45 -7.356 -14.962 -4.800 1.00 34.11 C ATOM 676 CD2 LEU A 45 -7.819 -15.354 -2.373 1.00 73.33 C ATOM 0 H LEU A 45 -10.119 -11.277 -3.362 1.00 42.32 H new ATOM 0 HA LEU A 45 -8.446 -12.326 -5.397 1.00 34.52 H new ATOM 0 HB2 LEU A 45 -7.838 -12.775 -3.173 1.00 32.14 H new ATOM 0 HB3 LEU A 45 -9.466 -13.227 -2.709 1.00 32.14 H new ATOM 0 HG LEU A 45 -9.270 -15.335 -3.936 1.00 41.13 H new ATOM 0 HD11 LEU A 45 -7.110 -16.019 -4.906 1.00 34.11 H new ATOM 0 HD12 LEU A 45 -7.783 -14.593 -5.733 1.00 34.11 H new ATOM 0 HD13 LEU A 45 -6.451 -14.400 -4.568 1.00 34.11 H new ATOM 0 HD21 LEU A 45 -7.567 -16.405 -2.512 1.00 73.33 H new ATOM 0 HD22 LEU A 45 -6.925 -14.802 -2.082 1.00 73.33 H new ATOM 0 HD23 LEU A 45 -8.573 -15.262 -1.591 1.00 73.33 H new ATOM 688 N LEU A 46 -11.360 -13.831 -4.946 1.00 51.31 N ATOM 689 CA LEU A 46 -12.329 -14.719 -5.579 1.00 51.43 C ATOM 690 C LEU A 46 -12.722 -14.200 -6.959 1.00 61.52 C ATOM 691 O LEU A 46 -13.177 -14.962 -7.813 1.00 12.24 O ATOM 692 CB LEU A 46 -13.574 -14.857 -4.701 1.00 24.22 C ATOM 693 CG LEU A 46 -13.354 -15.474 -3.319 1.00 74.51 C ATOM 694 CD1 LEU A 46 -14.682 -15.664 -2.602 1.00 73.04 C ATOM 695 CD2 LEU A 46 -12.616 -16.800 -3.438 1.00 55.01 C ATOM 0 H LEU A 46 -11.658 -13.456 -4.045 1.00 51.31 H new ATOM 0 HA LEU A 46 -11.865 -15.698 -5.697 1.00 51.43 H new ATOM 0 HB2 LEU A 46 -14.013 -13.868 -4.570 1.00 24.22 H new ATOM 0 HB3 LEU A 46 -14.306 -15.463 -5.235 1.00 24.22 H new ATOM 0 HG LEU A 46 -12.741 -14.791 -2.731 1.00 74.51 H new ATOM 0 HD11 LEU A 46 -14.506 -16.104 -1.620 1.00 73.04 H new ATOM 0 HD12 LEU A 46 -15.173 -14.698 -2.484 1.00 73.04 H new ATOM 0 HD13 LEU A 46 -15.320 -16.326 -3.187 1.00 73.04 H new ATOM 0 HD21 LEU A 46 -12.468 -17.225 -2.445 1.00 55.01 H new ATOM 0 HD22 LEU A 46 -13.203 -17.490 -4.044 1.00 55.01 H new ATOM 0 HD23 LEU A 46 -11.647 -16.636 -3.910 1.00 55.01 H new ATOM 707 N SER A 47 -12.541 -12.901 -7.171 1.00 44.13 N ATOM 708 CA SER A 47 -12.877 -12.280 -8.447 1.00 74.42 C ATOM 709 C SER A 47 -11.899 -12.710 -9.536 1.00 23.43 C ATOM 710 O SER A 47 -12.304 -13.156 -10.610 1.00 10.35 O ATOM 711 CB SER A 47 -12.872 -10.756 -8.314 1.00 75.32 C ATOM 712 OG SER A 47 -14.191 -10.250 -8.205 1.00 54.43 O ATOM 0 H SER A 47 -12.163 -12.258 -6.475 1.00 44.13 H new ATOM 0 HA SER A 47 -13.877 -12.610 -8.730 1.00 74.42 H new ATOM 0 HB2 SER A 47 -12.294 -10.466 -7.436 1.00 75.32 H new ATOM 0 HB3 SER A 47 -12.380 -10.314 -9.180 1.00 75.32 H new ATOM 0 HG SER A 47 -14.415 -10.122 -7.260 1.00 54.43 H new ATOM 718 N ARG A 48 -10.608 -12.574 -9.250 1.00 11.33 N ATOM 719 CA ARG A 48 -9.570 -12.946 -10.204 1.00 35.43 C ATOM 720 C ARG A 48 -9.583 -14.450 -10.461 1.00 33.52 C ATOM 721 O ARG A 48 -9.547 -14.895 -11.608 1.00 74.12 O ATOM 722 CB ARG A 48 -8.196 -12.518 -9.687 1.00 64.24 C ATOM 723 CG ARG A 48 -8.179 -11.124 -9.083 1.00 13.23 C ATOM 724 CD ARG A 48 -8.800 -10.102 -10.022 1.00 45.35 C ATOM 725 NE ARG A 48 -8.152 -8.797 -9.916 1.00 50.05 N ATOM 726 CZ ARG A 48 -6.976 -8.514 -10.464 1.00 44.35 C ATOM 727 NH1 ARG A 48 -6.322 -9.439 -11.154 1.00 4.53 N ATOM 728 NH2 ARG A 48 -6.451 -7.303 -10.324 1.00 12.10 N ATOM 0 H ARG A 48 -10.256 -12.209 -8.365 1.00 11.33 H new ATOM 0 HA ARG A 48 -9.773 -12.432 -11.144 1.00 35.43 H new ATOM 0 HB2 ARG A 48 -7.861 -13.234 -8.937 1.00 64.24 H new ATOM 0 HB3 ARG A 48 -7.480 -12.558 -10.508 1.00 64.24 H new ATOM 0 HG2 ARG A 48 -8.723 -11.129 -8.138 1.00 13.23 H new ATOM 0 HG3 ARG A 48 -7.152 -10.836 -8.858 1.00 13.23 H new ATOM 0 HD2 ARG A 48 -8.726 -10.461 -11.049 1.00 45.35 H new ATOM 0 HD3 ARG A 48 -9.861 -9.999 -9.796 1.00 45.35 H new ATOM 0 HE ARG A 48 -8.629 -8.063 -9.392 1.00 50.05 H new ATOM 0 HH11 ARG A 48 -6.722 -10.371 -11.265 1.00 4.53 H new ATOM 0 HH12 ARG A 48 -5.419 -9.219 -11.574 1.00 4.53 H new ATOM 0 HH21 ARG A 48 -6.951 -6.588 -9.795 1.00 12.10 H new ATOM 0 HH22 ARG A 48 -5.548 -7.087 -10.745 1.00 12.10 H new ATOM 742 N VAL A 49 -9.634 -15.229 -9.385 1.00 32.23 N ATOM 743 CA VAL A 49 -9.652 -16.683 -9.493 1.00 72.13 C ATOM 744 C VAL A 49 -10.716 -17.147 -10.482 1.00 65.14 C ATOM 745 O VAL A 49 -10.550 -18.164 -11.156 1.00 2.50 O ATOM 746 CB VAL A 49 -9.914 -17.345 -8.127 1.00 42.33 C ATOM 747 CG1 VAL A 49 -9.876 -18.860 -8.252 1.00 21.22 C ATOM 748 CG2 VAL A 49 -8.903 -16.861 -7.099 1.00 2.41 C ATOM 0 H VAL A 49 -9.664 -14.877 -8.428 1.00 32.23 H new ATOM 0 HA VAL A 49 -8.668 -16.986 -9.852 1.00 72.13 H new ATOM 0 HB VAL A 49 -10.909 -17.058 -7.788 1.00 42.33 H new ATOM 0 HG11 VAL A 49 -10.063 -19.310 -7.277 1.00 21.22 H new ATOM 0 HG12 VAL A 49 -10.642 -19.186 -8.956 1.00 21.22 H new ATOM 0 HG13 VAL A 49 -8.896 -19.171 -8.613 1.00 21.22 H new ATOM 0 HG21 VAL A 49 -9.103 -17.338 -6.140 1.00 2.41 H new ATOM 0 HG22 VAL A 49 -7.897 -17.118 -7.430 1.00 2.41 H new ATOM 0 HG23 VAL A 49 -8.984 -15.780 -6.990 1.00 2.41 H new ATOM 758 N ALA A 50 -11.808 -16.395 -10.565 1.00 1.43 N ATOM 759 CA ALA A 50 -12.898 -16.727 -11.474 1.00 22.14 C ATOM 760 C ALA A 50 -12.478 -16.538 -12.927 1.00 43.32 C ATOM 761 O ALA A 50 -12.630 -17.440 -13.751 1.00 14.03 O ATOM 762 CB ALA A 50 -14.122 -15.880 -11.161 1.00 54.34 C ATOM 0 H ALA A 50 -11.962 -15.551 -10.013 1.00 1.43 H new ATOM 0 HA ALA A 50 -13.151 -17.778 -11.331 1.00 22.14 H new ATOM 0 HB1 ALA A 50 -14.928 -16.138 -11.847 1.00 54.34 H new ATOM 0 HB2 ALA A 50 -14.443 -16.069 -10.137 1.00 54.34 H new ATOM 0 HB3 ALA A 50 -13.873 -14.825 -11.274 1.00 54.34 H new ATOM 768 N VAL A 51 -11.948 -15.358 -13.237 1.00 33.34 N ATOM 769 CA VAL A 51 -11.506 -15.051 -14.591 1.00 44.33 C ATOM 770 C VAL A 51 -10.246 -15.832 -14.949 1.00 11.35 C ATOM 771 O VAL A 51 -9.937 -16.029 -16.125 1.00 32.25 O ATOM 772 CB VAL A 51 -11.229 -13.545 -14.763 1.00 70.31 C ATOM 773 CG1 VAL A 51 -10.260 -13.055 -13.698 1.00 33.23 C ATOM 774 CG2 VAL A 51 -10.691 -13.259 -16.157 1.00 12.51 C ATOM 0 H VAL A 51 -11.815 -14.600 -12.568 1.00 33.34 H new ATOM 0 HA VAL A 51 -12.314 -15.344 -15.261 1.00 44.33 H new ATOM 0 HB VAL A 51 -12.168 -13.004 -14.642 1.00 70.31 H new ATOM 0 HG11 VAL A 51 -10.076 -11.989 -13.836 1.00 33.23 H new ATOM 0 HG12 VAL A 51 -10.689 -13.225 -12.710 1.00 33.23 H new ATOM 0 HG13 VAL A 51 -9.319 -13.599 -13.784 1.00 33.23 H new ATOM 0 HG21 VAL A 51 -10.501 -12.191 -16.262 1.00 12.51 H new ATOM 0 HG22 VAL A 51 -9.763 -13.809 -16.309 1.00 12.51 H new ATOM 0 HG23 VAL A 51 -11.424 -13.572 -16.901 1.00 12.51 H new ATOM 784 N LEU A 52 -9.522 -16.275 -13.927 1.00 2.21 N ATOM 785 CA LEU A 52 -8.294 -17.036 -14.132 1.00 54.03 C ATOM 786 C LEU A 52 -8.596 -18.522 -14.299 1.00 15.24 C ATOM 787 O LEU A 52 -7.921 -19.223 -15.052 1.00 5.02 O ATOM 788 CB LEU A 52 -7.338 -16.827 -12.957 1.00 14.33 C ATOM 789 CG LEU A 52 -6.802 -15.407 -12.773 1.00 4.24 C ATOM 790 CD1 LEU A 52 -6.111 -15.268 -11.425 1.00 14.44 C ATOM 791 CD2 LEU A 52 -5.847 -15.047 -13.902 1.00 54.21 C ATOM 0 H LEU A 52 -9.764 -16.120 -12.948 1.00 2.21 H new ATOM 0 HA LEU A 52 -7.821 -16.675 -15.045 1.00 54.03 H new ATOM 0 HB2 LEU A 52 -7.850 -17.122 -12.041 1.00 14.33 H new ATOM 0 HB3 LEU A 52 -6.490 -17.501 -13.080 1.00 14.33 H new ATOM 0 HG LEU A 52 -7.644 -14.715 -12.801 1.00 4.24 H new ATOM 0 HD11 LEU A 52 -5.736 -14.251 -11.312 1.00 14.44 H new ATOM 0 HD12 LEU A 52 -6.822 -15.483 -10.628 1.00 14.44 H new ATOM 0 HD13 LEU A 52 -5.279 -15.970 -11.369 1.00 14.44 H new ATOM 0 HD21 LEU A 52 -5.475 -14.033 -13.755 1.00 54.21 H new ATOM 0 HD22 LEU A 52 -5.009 -15.744 -13.906 1.00 54.21 H new ATOM 0 HD23 LEU A 52 -6.372 -15.106 -14.855 1.00 54.21 H new ATOM 803 N PHE A 53 -9.618 -18.995 -13.592 1.00 65.41 N ATOM 804 CA PHE A 53 -10.010 -20.398 -13.662 1.00 55.02 C ATOM 805 C PHE A 53 -11.404 -20.543 -14.268 1.00 4.13 C ATOM 806 O PHE A 53 -12.377 -20.855 -13.582 1.00 21.24 O ATOM 807 CB PHE A 53 -9.980 -21.028 -12.268 1.00 62.54 C ATOM 808 CG PHE A 53 -8.595 -21.167 -11.703 1.00 50.14 C ATOM 809 CD1 PHE A 53 -7.789 -22.235 -12.064 1.00 0.42 C ATOM 810 CD2 PHE A 53 -8.100 -20.229 -10.811 1.00 64.44 C ATOM 811 CE1 PHE A 53 -6.514 -22.365 -11.546 1.00 40.21 C ATOM 812 CE2 PHE A 53 -6.825 -20.354 -10.291 1.00 34.12 C ATOM 813 CZ PHE A 53 -6.032 -21.424 -10.658 1.00 11.35 C ATOM 0 H PHE A 53 -10.189 -18.428 -12.965 1.00 65.41 H new ATOM 0 HA PHE A 53 -9.298 -20.917 -14.303 1.00 55.02 H new ATOM 0 HB2 PHE A 53 -10.581 -20.421 -11.591 1.00 62.54 H new ATOM 0 HB3 PHE A 53 -10.446 -22.012 -12.313 1.00 62.54 H new ATOM 0 HD1 PHE A 53 -8.161 -22.974 -12.758 1.00 0.42 H new ATOM 0 HD2 PHE A 53 -8.717 -19.392 -10.519 1.00 64.44 H new ATOM 0 HE1 PHE A 53 -5.896 -23.202 -11.836 1.00 40.21 H new ATOM 0 HE2 PHE A 53 -6.449 -19.616 -9.598 1.00 34.12 H new ATOM 0 HZ PHE A 53 -5.037 -21.524 -10.251 1.00 11.35 H new ATOM 823 N PRO A 54 -11.503 -20.310 -15.585 1.00 23.11 N ATOM 824 CA PRO A 54 -12.771 -20.408 -16.313 1.00 33.21 C ATOM 825 C PRO A 54 -13.262 -21.847 -16.431 1.00 31.12 C ATOM 826 O PRO A 54 -14.395 -22.095 -16.843 1.00 0.42 O ATOM 827 CB PRO A 54 -12.432 -19.844 -17.695 1.00 20.03 C ATOM 828 CG PRO A 54 -10.967 -20.066 -17.845 1.00 65.01 C ATOM 829 CD PRO A 54 -10.384 -19.934 -16.465 1.00 41.42 C ATOM 0 HA PRO A 54 -13.574 -19.874 -15.805 1.00 33.21 H new ATOM 0 HB2 PRO A 54 -12.992 -20.354 -18.479 1.00 20.03 H new ATOM 0 HB3 PRO A 54 -12.681 -18.785 -17.762 1.00 20.03 H new ATOM 0 HG2 PRO A 54 -10.763 -21.052 -18.262 1.00 65.01 H new ATOM 0 HG3 PRO A 54 -10.529 -19.335 -18.525 1.00 65.01 H new ATOM 0 HD2 PRO A 54 -9.526 -20.591 -16.327 1.00 41.42 H new ATOM 0 HD3 PRO A 54 -10.042 -18.918 -16.269 1.00 41.42 H new ATOM 837 N ALA A 55 -12.402 -22.793 -16.066 1.00 52.42 N ATOM 838 CA ALA A 55 -12.750 -24.207 -16.129 1.00 2.30 C ATOM 839 C ALA A 55 -14.010 -24.499 -15.322 1.00 55.52 C ATOM 840 O ALA A 55 -14.717 -25.472 -15.586 1.00 32.30 O ATOM 841 CB ALA A 55 -11.592 -25.058 -15.629 1.00 1.55 C ATOM 0 H ALA A 55 -11.460 -22.605 -15.724 1.00 52.42 H new ATOM 0 HA ALA A 55 -12.950 -24.460 -17.170 1.00 2.30 H new ATOM 0 HB1 ALA A 55 -11.866 -26.112 -15.682 1.00 1.55 H new ATOM 0 HB2 ALA A 55 -10.714 -24.880 -16.250 1.00 1.55 H new ATOM 0 HB3 ALA A 55 -11.365 -24.793 -14.596 1.00 1.55 H new ATOM 847 N LEU A 56 -14.287 -23.650 -14.338 1.00 62.30 N ATOM 848 CA LEU A 56 -15.463 -23.818 -13.491 1.00 51.44 C ATOM 849 C LEU A 56 -16.351 -22.579 -13.542 1.00 52.52 C ATOM 850 O LEU A 56 -16.071 -21.631 -14.277 1.00 23.32 O ATOM 851 CB LEU A 56 -15.041 -24.098 -12.048 1.00 52.20 C ATOM 852 CG LEU A 56 -13.936 -23.203 -11.486 1.00 12.21 C ATOM 853 CD1 LEU A 56 -14.344 -22.635 -10.135 1.00 72.42 C ATOM 854 CD2 LEU A 56 -12.631 -23.976 -11.369 1.00 60.51 C ATOM 0 H LEU A 56 -13.713 -22.839 -14.107 1.00 62.30 H new ATOM 0 HA LEU A 56 -16.033 -24.667 -13.867 1.00 51.44 H new ATOM 0 HB2 LEU A 56 -15.919 -24.002 -11.409 1.00 52.20 H new ATOM 0 HB3 LEU A 56 -14.710 -25.134 -11.982 1.00 52.20 H new ATOM 0 HG LEU A 56 -13.783 -22.372 -12.175 1.00 12.21 H new ATOM 0 HD11 LEU A 56 -13.545 -22.001 -9.751 1.00 72.42 H new ATOM 0 HD12 LEU A 56 -15.253 -22.045 -10.248 1.00 72.42 H new ATOM 0 HD13 LEU A 56 -14.526 -23.452 -9.437 1.00 72.42 H new ATOM 0 HD21 LEU A 56 -11.856 -23.323 -10.967 1.00 60.51 H new ATOM 0 HD22 LEU A 56 -12.771 -24.827 -10.702 1.00 60.51 H new ATOM 0 HD23 LEU A 56 -12.330 -24.333 -12.354 1.00 60.51 H new ATOM 866 N ARG A 57 -17.422 -22.592 -12.755 1.00 51.23 N ATOM 867 CA ARG A 57 -18.351 -21.469 -12.710 1.00 2.11 C ATOM 868 C ARG A 57 -17.640 -20.193 -12.269 1.00 2.14 C ATOM 869 O ARG A 57 -16.607 -20.228 -11.599 1.00 35.23 O ATOM 870 CB ARG A 57 -19.509 -21.775 -11.758 1.00 63.33 C ATOM 871 CG ARG A 57 -20.465 -22.834 -12.283 1.00 42.25 C ATOM 872 CD ARG A 57 -21.511 -23.204 -11.244 1.00 71.40 C ATOM 873 NE ARG A 57 -22.640 -23.919 -11.834 1.00 63.11 N ATOM 874 CZ ARG A 57 -23.572 -23.334 -12.578 1.00 30.40 C ATOM 875 NH1 ARG A 57 -23.510 -22.033 -12.822 1.00 13.42 N ATOM 876 NH2 ARG A 57 -24.569 -24.052 -13.080 1.00 64.32 N ATOM 0 H ARG A 57 -17.668 -23.368 -12.140 1.00 51.23 H new ATOM 0 HA ARG A 57 -18.746 -21.316 -13.714 1.00 2.11 H new ATOM 0 HB2 ARG A 57 -19.104 -22.105 -10.801 1.00 63.33 H new ATOM 0 HB3 ARG A 57 -20.065 -20.857 -11.569 1.00 63.33 H new ATOM 0 HG2 ARG A 57 -20.958 -22.466 -13.183 1.00 42.25 H new ATOM 0 HG3 ARG A 57 -19.903 -23.724 -12.568 1.00 42.25 H new ATOM 0 HD2 ARG A 57 -21.053 -23.823 -10.473 1.00 71.40 H new ATOM 0 HD3 ARG A 57 -21.871 -22.299 -10.754 1.00 71.40 H new ATOM 0 HE ARG A 57 -22.717 -24.922 -11.665 1.00 63.11 H new ATOM 0 HH11 ARG A 57 -22.745 -21.478 -12.438 1.00 13.42 H new ATOM 0 HH12 ARG A 57 -24.227 -21.587 -13.394 1.00 13.42 H new ATOM 0 HH21 ARG A 57 -24.620 -25.054 -12.895 1.00 64.32 H new ATOM 0 HH22 ARG A 57 -25.284 -23.602 -13.651 1.00 64.32 H new ATOM 890 N PRO A 58 -18.203 -19.038 -12.653 1.00 15.02 N ATOM 891 CA PRO A 58 -17.640 -17.729 -12.308 1.00 74.21 C ATOM 892 C PRO A 58 -17.774 -17.414 -10.822 1.00 53.43 C ATOM 893 O PRO A 58 -16.855 -16.875 -10.207 1.00 14.50 O ATOM 894 CB PRO A 58 -18.477 -16.753 -13.139 1.00 63.25 C ATOM 895 CG PRO A 58 -19.770 -17.458 -13.363 1.00 40.04 C ATOM 896 CD PRO A 58 -19.434 -18.921 -13.453 1.00 13.03 C ATOM 0 HA PRO A 58 -16.571 -17.678 -12.514 1.00 74.21 H new ATOM 0 HB2 PRO A 58 -18.626 -15.811 -12.612 1.00 63.25 H new ATOM 0 HB3 PRO A 58 -17.987 -16.516 -14.083 1.00 63.25 H new ATOM 0 HG2 PRO A 58 -20.465 -17.267 -12.546 1.00 40.04 H new ATOM 0 HG3 PRO A 58 -20.250 -17.111 -14.278 1.00 40.04 H new ATOM 0 HD2 PRO A 58 -20.235 -19.543 -13.052 1.00 13.03 H new ATOM 0 HD3 PRO A 58 -19.274 -19.234 -14.485 1.00 13.03 H new ATOM 904 N GLY A 59 -18.926 -17.754 -10.251 1.00 3.12 N ATOM 905 CA GLY A 59 -19.158 -17.499 -8.841 1.00 71.12 C ATOM 906 C GLY A 59 -19.696 -18.715 -8.113 1.00 61.12 C ATOM 907 O GLY A 59 -20.546 -18.594 -7.232 1.00 70.23 O ATOM 0 H GLY A 59 -19.702 -18.201 -10.739 1.00 3.12 H new ATOM 0 HA2 GLY A 59 -18.225 -17.183 -8.374 1.00 71.12 H new ATOM 0 HA3 GLY A 59 -19.863 -16.675 -8.735 1.00 71.12 H new ATOM 911 N GLY A 60 -19.200 -19.892 -8.483 1.00 71.04 N ATOM 912 CA GLY A 60 -19.649 -21.118 -7.851 1.00 33.35 C ATOM 913 C GLY A 60 -18.497 -21.978 -7.370 1.00 33.33 C ATOM 914 O GLY A 60 -18.384 -23.145 -7.747 1.00 14.13 O ATOM 0 H GLY A 60 -18.495 -20.018 -9.209 1.00 71.04 H new ATOM 0 HA2 GLY A 60 -20.293 -20.873 -7.006 1.00 33.35 H new ATOM 0 HA3 GLY A 60 -20.253 -21.687 -8.558 1.00 33.35 H new ATOM 918 N PHE A 61 -17.638 -21.402 -6.536 1.00 13.51 N ATOM 919 CA PHE A 61 -16.487 -22.122 -6.005 1.00 31.31 C ATOM 920 C PHE A 61 -16.128 -21.621 -4.609 1.00 35.31 C ATOM 921 O PHE A 61 -16.472 -20.501 -4.234 1.00 13.14 O ATOM 922 CB PHE A 61 -15.286 -21.966 -6.939 1.00 64.33 C ATOM 923 CG PHE A 61 -14.639 -20.613 -6.863 1.00 4.00 C ATOM 924 CD1 PHE A 61 -15.207 -19.522 -7.500 1.00 12.34 C ATOM 925 CD2 PHE A 61 -13.461 -20.432 -6.155 1.00 72.40 C ATOM 926 CE1 PHE A 61 -14.615 -18.275 -7.431 1.00 44.21 C ATOM 927 CE2 PHE A 61 -12.864 -19.188 -6.083 1.00 13.14 C ATOM 928 CZ PHE A 61 -13.441 -18.108 -6.722 1.00 60.14 C ATOM 0 H PHE A 61 -17.717 -20.438 -6.213 1.00 13.51 H new ATOM 0 HA PHE A 61 -16.751 -23.177 -5.936 1.00 31.31 H new ATOM 0 HB2 PHE A 61 -14.546 -22.728 -6.696 1.00 64.33 H new ATOM 0 HB3 PHE A 61 -15.607 -22.149 -7.964 1.00 64.33 H new ATOM 0 HD1 PHE A 61 -16.124 -19.647 -8.057 1.00 12.34 H new ATOM 0 HD2 PHE A 61 -13.005 -21.273 -5.654 1.00 72.40 H new ATOM 0 HE1 PHE A 61 -15.069 -17.432 -7.931 1.00 44.21 H new ATOM 0 HE2 PHE A 61 -11.947 -19.060 -5.527 1.00 13.14 H new ATOM 0 HZ PHE A 61 -12.975 -17.135 -6.668 1.00 60.14 H new ATOM 938 N GLN A 62 -15.436 -22.460 -3.845 1.00 60.54 N ATOM 939 CA GLN A 62 -15.032 -22.104 -2.491 1.00 2.43 C ATOM 940 C GLN A 62 -13.530 -22.290 -2.304 1.00 3.13 C ATOM 941 O GLN A 62 -12.988 -23.360 -2.579 1.00 34.45 O ATOM 942 CB GLN A 62 -15.794 -22.949 -1.469 1.00 62.50 C ATOM 943 CG GLN A 62 -16.880 -22.182 -0.732 1.00 45.23 C ATOM 944 CD GLN A 62 -16.362 -20.909 -0.093 1.00 13.55 C ATOM 945 OE1 GLN A 62 -16.988 -19.852 -0.191 1.00 23.44 O ATOM 946 NE2 GLN A 62 -15.214 -21.002 0.568 1.00 51.40 N ATOM 0 H GLN A 62 -15.144 -23.391 -4.141 1.00 60.54 H new ATOM 0 HA GLN A 62 -15.272 -21.053 -2.333 1.00 2.43 H new ATOM 0 HB2 GLN A 62 -16.245 -23.801 -1.978 1.00 62.50 H new ATOM 0 HB3 GLN A 62 -15.087 -23.350 -0.742 1.00 62.50 H new ATOM 0 HG2 GLN A 62 -17.681 -21.935 -1.428 1.00 45.23 H new ATOM 0 HG3 GLN A 62 -17.312 -22.821 0.038 1.00 45.23 H new ATOM 0 HE21 GLN A 62 -14.729 -21.897 0.624 1.00 51.40 H new ATOM 0 HE22 GLN A 62 -14.817 -20.178 1.020 1.00 51.40 H new ATOM 955 N ALA A 63 -12.862 -21.241 -1.835 1.00 51.20 N ATOM 956 CA ALA A 63 -11.423 -21.290 -1.610 1.00 2.41 C ATOM 957 C ALA A 63 -11.104 -21.780 -0.202 1.00 23.42 C ATOM 958 O ALA A 63 -11.579 -21.218 0.785 1.00 33.12 O ATOM 959 CB ALA A 63 -10.805 -19.919 -1.846 1.00 61.40 C ATOM 0 H ALA A 63 -13.295 -20.347 -1.604 1.00 51.20 H new ATOM 0 HA ALA A 63 -10.993 -21.998 -2.319 1.00 2.41 H new ATOM 0 HB1 ALA A 63 -9.730 -19.970 -1.674 1.00 61.40 H new ATOM 0 HB2 ALA A 63 -10.994 -19.607 -2.873 1.00 61.40 H new ATOM 0 HB3 ALA A 63 -11.248 -19.197 -1.160 1.00 61.40 H new ATOM 965 N HIS A 64 -10.296 -22.833 -0.116 1.00 13.23 N ATOM 966 CA HIS A 64 -9.914 -23.400 1.173 1.00 42.53 C ATOM 967 C HIS A 64 -8.472 -23.039 1.519 1.00 53.44 C ATOM 968 O HIS A 64 -7.600 -23.024 0.650 1.00 60.42 O ATOM 969 CB HIS A 64 -10.081 -24.919 1.155 1.00 32.22 C ATOM 970 CG HIS A 64 -11.484 -25.364 0.879 1.00 73.13 C ATOM 971 ND1 HIS A 64 -12.608 -24.650 0.637 1.00 55.31 N flip ATOM 972 CD2 HIS A 64 -11.857 -26.691 0.830 1.00 13.41 C flip ATOM 973 CE1 HIS A 64 -13.629 -25.548 0.447 1.00 42.15 C flip ATOM 974 NE2 HIS A 64 -13.150 -26.773 0.569 1.00 32.14 N flip ATOM 0 H HIS A 64 -9.894 -23.310 -0.923 1.00 13.23 H new ATOM 0 HA HIS A 64 -10.569 -22.979 1.936 1.00 42.53 H new ATOM 0 HB2 HIS A 64 -9.419 -25.340 0.398 1.00 32.22 H new ATOM 0 HB3 HIS A 64 -9.763 -25.323 2.116 1.00 32.22 H new ATOM 0 HD2 HIS A 64 -11.196 -27.532 0.981 1.00 13.41 H new ATOM 0 HE1 HIS A 64 -14.657 -25.294 0.233 1.00 42.15 H new ATOM 0 HE2 HIS A 64 -13.687 -27.635 0.477 1.00 32.14 H new ATOM 982 N TYR A 65 -8.230 -22.747 2.792 1.00 41.04 N ATOM 983 CA TYR A 65 -6.895 -22.383 3.252 1.00 50.25 C ATOM 984 C TYR A 65 -6.476 -23.240 4.442 1.00 71.21 C ATOM 985 O TYR A 65 -7.287 -23.548 5.315 1.00 32.13 O ATOM 986 CB TYR A 65 -6.851 -20.903 3.634 1.00 1.53 C ATOM 987 CG TYR A 65 -7.409 -20.616 5.010 1.00 1.01 C ATOM 988 CD1 TYR A 65 -8.772 -20.433 5.204 1.00 13.22 C ATOM 989 CD2 TYR A 65 -6.572 -20.529 6.116 1.00 33.52 C ATOM 990 CE1 TYR A 65 -9.286 -20.170 6.459 1.00 12.02 C ATOM 991 CE2 TYR A 65 -7.078 -20.269 7.375 1.00 5.43 C ATOM 992 CZ TYR A 65 -8.435 -20.089 7.542 1.00 61.15 C ATOM 993 OH TYR A 65 -8.943 -19.829 8.794 1.00 51.14 O ATOM 0 H TYR A 65 -8.941 -22.755 3.524 1.00 41.04 H new ATOM 0 HA TYR A 65 -6.196 -22.562 2.435 1.00 50.25 H new ATOM 0 HB2 TYR A 65 -5.819 -20.556 3.590 1.00 1.53 H new ATOM 0 HB3 TYR A 65 -7.412 -20.329 2.897 1.00 1.53 H new ATOM 0 HD1 TYR A 65 -9.442 -20.497 4.359 1.00 13.22 H new ATOM 0 HD2 TYR A 65 -5.508 -20.667 5.989 1.00 33.52 H new ATOM 0 HE1 TYR A 65 -10.348 -20.029 6.592 1.00 12.02 H new ATOM 0 HE2 TYR A 65 -6.414 -20.207 8.224 1.00 5.43 H new ATOM 0 HH TYR A 65 -9.699 -19.210 8.718 1.00 51.14 H new ATOM 1003 N ARG A 66 -5.203 -23.622 4.469 1.00 54.10 N ATOM 1004 CA ARG A 66 -4.675 -24.444 5.551 1.00 72.11 C ATOM 1005 C ARG A 66 -4.543 -23.632 6.836 1.00 31.20 C ATOM 1006 O ARG A 66 -4.247 -22.438 6.800 1.00 61.30 O ATOM 1007 CB ARG A 66 -3.315 -25.026 5.161 1.00 74.14 C ATOM 1008 CG ARG A 66 -2.244 -23.972 4.933 1.00 54.20 C ATOM 1009 CD ARG A 66 -0.942 -24.342 5.625 1.00 30.32 C ATOM 1010 NE ARG A 66 0.021 -23.244 5.604 1.00 35.13 N ATOM 1011 CZ ARG A 66 0.651 -22.841 4.507 1.00 4.31 C ATOM 1012 NH1 ARG A 66 0.422 -23.442 3.348 1.00 41.53 N ATOM 1013 NH2 ARG A 66 1.513 -21.834 4.568 1.00 5.23 N ATOM 0 H ARG A 66 -4.519 -23.375 3.754 1.00 54.10 H new ATOM 0 HA ARG A 66 -5.375 -25.261 5.728 1.00 72.11 H new ATOM 0 HB2 ARG A 66 -2.982 -25.706 5.945 1.00 74.14 H new ATOM 0 HB3 ARG A 66 -3.430 -25.618 4.253 1.00 74.14 H new ATOM 0 HG2 ARG A 66 -2.069 -23.856 3.864 1.00 54.20 H new ATOM 0 HG3 ARG A 66 -2.594 -23.009 5.305 1.00 54.20 H new ATOM 0 HD2 ARG A 66 -1.148 -24.624 6.658 1.00 30.32 H new ATOM 0 HD3 ARG A 66 -0.507 -25.214 5.137 1.00 30.32 H new ATOM 0 HE ARG A 66 0.220 -22.761 6.480 1.00 35.13 H new ATOM 0 HH11 ARG A 66 -0.240 -24.216 3.297 1.00 41.53 H new ATOM 0 HH12 ARG A 66 0.908 -23.130 2.507 1.00 41.53 H new ATOM 0 HH21 ARG A 66 1.692 -21.369 5.458 1.00 5.23 H new ATOM 0 HH22 ARG A 66 1.997 -21.525 3.725 1.00 5.23 H new ATOM 1027 N ALA A 67 -4.766 -24.289 7.970 1.00 5.40 N ATOM 1028 CA ALA A 67 -4.670 -23.629 9.266 1.00 1.51 C ATOM 1029 C ALA A 67 -3.493 -24.169 10.072 1.00 53.32 C ATOM 1030 O ALA A 67 -2.701 -24.965 9.571 1.00 63.41 O ATOM 1031 CB ALA A 67 -5.967 -23.800 10.043 1.00 70.13 C ATOM 0 H ALA A 67 -5.014 -25.277 8.017 1.00 5.40 H new ATOM 0 HA ALA A 67 -4.500 -22.566 9.093 1.00 1.51 H new ATOM 0 HB1 ALA A 67 -5.881 -23.302 11.009 1.00 70.13 H new ATOM 0 HB2 ALA A 67 -6.789 -23.359 9.480 1.00 70.13 H new ATOM 0 HB3 ALA A 67 -6.161 -24.861 10.198 1.00 70.13 H new ATOM 1037 N GLU A 68 -3.386 -23.729 11.322 1.00 52.23 N ATOM 1038 CA GLU A 68 -2.304 -24.168 12.195 1.00 34.13 C ATOM 1039 C GLU A 68 -2.257 -25.691 12.278 1.00 25.14 C ATOM 1040 O GLU A 68 -1.200 -26.277 12.515 1.00 33.44 O ATOM 1041 CB GLU A 68 -2.477 -23.575 13.595 1.00 21.23 C ATOM 1042 CG GLU A 68 -3.824 -23.885 14.226 1.00 72.12 C ATOM 1043 CD GLU A 68 -4.135 -22.988 15.408 1.00 21.55 C ATOM 1044 OE1 GLU A 68 -3.428 -21.974 15.585 1.00 52.23 O ATOM 1045 OE2 GLU A 68 -5.084 -23.301 16.158 1.00 63.04 O ATOM 0 H GLU A 68 -4.035 -23.070 11.752 1.00 52.23 H new ATOM 0 HA GLU A 68 -1.363 -23.815 11.772 1.00 34.13 H new ATOM 0 HB2 GLU A 68 -1.686 -23.956 14.242 1.00 21.23 H new ATOM 0 HB3 GLU A 68 -2.351 -22.494 13.540 1.00 21.23 H new ATOM 0 HG2 GLU A 68 -4.607 -23.775 13.475 1.00 72.12 H new ATOM 0 HG3 GLU A 68 -3.838 -24.925 14.551 1.00 72.12 H new ATOM 1052 N ARG A 69 -3.408 -26.325 12.082 1.00 10.12 N ATOM 1053 CA ARG A 69 -3.499 -27.779 12.137 1.00 64.05 C ATOM 1054 C ARG A 69 -3.217 -28.393 10.768 1.00 1.22 C ATOM 1055 O ARG A 69 -2.782 -29.539 10.668 1.00 23.24 O ATOM 1056 CB ARG A 69 -4.884 -28.207 12.624 1.00 71.11 C ATOM 1057 CG ARG A 69 -5.140 -27.888 14.088 1.00 54.34 C ATOM 1058 CD ARG A 69 -6.266 -28.739 14.655 1.00 40.43 C ATOM 1059 NE ARG A 69 -7.581 -28.241 14.259 1.00 2.24 N ATOM 1060 CZ ARG A 69 -8.722 -28.700 14.761 1.00 22.02 C ATOM 1061 NH1 ARG A 69 -8.709 -29.662 15.673 1.00 30.23 N ATOM 1062 NH2 ARG A 69 -9.879 -28.196 14.351 1.00 22.20 N ATOM 0 H ARG A 69 -4.291 -25.854 11.884 1.00 10.12 H new ATOM 0 HA ARG A 69 -2.748 -28.139 12.840 1.00 64.05 H new ATOM 0 HB2 ARG A 69 -5.642 -27.714 12.015 1.00 71.11 H new ATOM 0 HB3 ARG A 69 -4.999 -29.280 12.469 1.00 71.11 H new ATOM 0 HG2 ARG A 69 -4.230 -28.057 14.663 1.00 54.34 H new ATOM 0 HG3 ARG A 69 -5.392 -26.833 14.193 1.00 54.34 H new ATOM 0 HD2 ARG A 69 -6.150 -29.768 14.314 1.00 40.43 H new ATOM 0 HD3 ARG A 69 -6.197 -28.754 15.743 1.00 40.43 H new ATOM 0 HE ARG A 69 -7.625 -27.501 13.559 1.00 2.24 H new ATOM 0 HH11 ARG A 69 -7.821 -30.051 15.991 1.00 30.23 H new ATOM 0 HH12 ARG A 69 -9.587 -30.013 16.057 1.00 30.23 H new ATOM 0 HH21 ARG A 69 -9.893 -27.455 13.650 1.00 22.20 H new ATOM 0 HH22 ARG A 69 -10.755 -28.549 14.737 1.00 22.20 H new ATOM 1076 N GLY A 70 -3.469 -27.621 9.715 1.00 11.34 N ATOM 1077 CA GLY A 70 -3.238 -28.106 8.367 1.00 5.44 C ATOM 1078 C GLY A 70 -4.527 -28.354 7.611 1.00 74.10 C ATOM 1079 O GLY A 70 -4.563 -28.261 6.384 1.00 53.41 O ATOM 0 H GLY A 70 -3.829 -26.668 9.772 1.00 11.34 H new ATOM 0 HA2 GLY A 70 -2.635 -27.380 7.822 1.00 5.44 H new ATOM 0 HA3 GLY A 70 -2.662 -29.031 8.411 1.00 5.44 H new ATOM 1083 N ASP A 71 -5.589 -28.673 8.343 1.00 23.04 N ATOM 1084 CA ASP A 71 -6.887 -28.937 7.734 1.00 11.40 C ATOM 1085 C ASP A 71 -7.295 -27.795 6.808 1.00 44.11 C ATOM 1086 O ASP A 71 -6.737 -26.698 6.874 1.00 35.35 O ATOM 1087 CB ASP A 71 -7.950 -29.137 8.815 1.00 74.31 C ATOM 1088 CG ASP A 71 -7.764 -30.435 9.576 1.00 34.02 C ATOM 1089 OD1 ASP A 71 -6.724 -31.096 9.376 1.00 10.22 O ATOM 1090 OD2 ASP A 71 -8.660 -30.790 10.372 1.00 64.45 O ATOM 0 H ASP A 71 -5.576 -28.755 9.360 1.00 23.04 H new ATOM 0 HA ASP A 71 -6.805 -29.849 7.143 1.00 11.40 H new ATOM 0 HB2 ASP A 71 -7.915 -28.301 9.514 1.00 74.31 H new ATOM 0 HB3 ASP A 71 -8.938 -29.127 8.355 1.00 74.31 H new ATOM 1095 N LEU A 72 -8.268 -28.060 5.944 1.00 14.41 N ATOM 1096 CA LEU A 72 -8.750 -27.055 5.003 1.00 54.41 C ATOM 1097 C LEU A 72 -9.972 -26.330 5.558 1.00 13.03 C ATOM 1098 O LEU A 72 -10.938 -26.960 5.990 1.00 23.03 O ATOM 1099 CB LEU A 72 -9.095 -27.706 3.663 1.00 73.43 C ATOM 1100 CG LEU A 72 -7.948 -27.825 2.659 1.00 42.10 C ATOM 1101 CD1 LEU A 72 -8.413 -28.537 1.398 1.00 22.34 C ATOM 1102 CD2 LEU A 72 -7.390 -26.450 2.322 1.00 51.22 C ATOM 0 H LEU A 72 -8.739 -28.962 5.875 1.00 14.41 H new ATOM 0 HA LEU A 72 -7.955 -26.325 4.852 1.00 54.41 H new ATOM 0 HB2 LEU A 72 -9.486 -28.705 3.857 1.00 73.43 H new ATOM 0 HB3 LEU A 72 -9.899 -27.133 3.200 1.00 73.43 H new ATOM 0 HG LEU A 72 -7.153 -28.417 3.113 1.00 42.10 H new ATOM 0 HD11 LEU A 72 -7.583 -28.612 0.695 1.00 22.34 H new ATOM 0 HD12 LEU A 72 -8.764 -29.537 1.653 1.00 22.34 H new ATOM 0 HD13 LEU A 72 -9.226 -27.973 0.940 1.00 22.34 H new ATOM 0 HD21 LEU A 72 -6.575 -26.554 1.606 1.00 51.22 H new ATOM 0 HD22 LEU A 72 -8.178 -25.834 1.888 1.00 51.22 H new ATOM 0 HD23 LEU A 72 -7.018 -25.976 3.230 1.00 51.22 H new ATOM 1114 N VAL A 73 -9.924 -25.002 5.542 1.00 14.30 N ATOM 1115 CA VAL A 73 -11.029 -24.191 6.041 1.00 45.42 C ATOM 1116 C VAL A 73 -11.567 -23.267 4.954 1.00 61.22 C ATOM 1117 O VAL A 73 -10.967 -22.237 4.647 1.00 35.12 O ATOM 1118 CB VAL A 73 -10.599 -23.343 7.253 1.00 14.11 C ATOM 1119 CG1 VAL A 73 -11.763 -22.502 7.756 1.00 71.22 C ATOM 1120 CG2 VAL A 73 -10.057 -24.234 8.360 1.00 10.15 C ATOM 0 H VAL A 73 -9.132 -24.465 5.189 1.00 14.30 H new ATOM 0 HA VAL A 73 -11.815 -24.881 6.349 1.00 45.42 H new ATOM 0 HB VAL A 73 -9.803 -22.668 6.939 1.00 14.11 H new ATOM 0 HG11 VAL A 73 -11.441 -21.910 8.612 1.00 71.22 H new ATOM 0 HG12 VAL A 73 -12.101 -21.837 6.961 1.00 71.22 H new ATOM 0 HG13 VAL A 73 -12.582 -23.156 8.055 1.00 71.22 H new ATOM 0 HG21 VAL A 73 -9.758 -23.619 9.209 1.00 10.15 H new ATOM 0 HG22 VAL A 73 -10.830 -24.935 8.675 1.00 10.15 H new ATOM 0 HG23 VAL A 73 -9.194 -24.788 7.991 1.00 10.15 H new ATOM 1130 N ALA A 74 -12.702 -23.643 4.375 1.00 74.24 N ATOM 1131 CA ALA A 74 -13.324 -22.848 3.323 1.00 4.51 C ATOM 1132 C ALA A 74 -13.579 -21.420 3.794 1.00 40.45 C ATOM 1133 O ALA A 74 -14.498 -21.167 4.574 1.00 65.25 O ATOM 1134 CB ALA A 74 -14.623 -23.496 2.869 1.00 41.24 C ATOM 0 H ALA A 74 -13.210 -24.494 4.617 1.00 74.24 H new ATOM 0 HA ALA A 74 -12.637 -22.808 2.478 1.00 4.51 H new ATOM 0 HB1 ALA A 74 -15.076 -22.891 2.083 1.00 41.24 H new ATOM 0 HB2 ALA A 74 -14.416 -24.495 2.485 1.00 41.24 H new ATOM 0 HB3 ALA A 74 -15.309 -23.567 3.713 1.00 41.24 H new ATOM 1140 N PHE A 75 -12.760 -20.489 3.315 1.00 12.32 N ATOM 1141 CA PHE A 75 -12.897 -19.086 3.688 1.00 4.44 C ATOM 1142 C PHE A 75 -13.697 -18.319 2.639 1.00 22.15 C ATOM 1143 O PHE A 75 -13.644 -18.634 1.451 1.00 74.13 O ATOM 1144 CB PHE A 75 -11.518 -18.446 3.862 1.00 4.32 C ATOM 1145 CG PHE A 75 -10.827 -18.148 2.562 1.00 23.21 C ATOM 1146 CD1 PHE A 75 -11.009 -16.930 1.928 1.00 14.23 C ATOM 1147 CD2 PHE A 75 -9.995 -19.087 1.974 1.00 60.24 C ATOM 1148 CE1 PHE A 75 -10.375 -16.653 0.732 1.00 2.50 C ATOM 1149 CE2 PHE A 75 -9.358 -18.816 0.778 1.00 45.51 C ATOM 1150 CZ PHE A 75 -9.549 -17.597 0.156 1.00 64.34 C ATOM 0 H PHE A 75 -11.995 -20.681 2.668 1.00 12.32 H new ATOM 0 HA PHE A 75 -13.435 -19.039 4.635 1.00 4.44 H new ATOM 0 HB2 PHE A 75 -11.625 -17.521 4.428 1.00 4.32 H new ATOM 0 HB3 PHE A 75 -10.890 -19.111 4.454 1.00 4.32 H new ATOM 0 HD1 PHE A 75 -11.654 -16.188 2.374 1.00 14.23 H new ATOM 0 HD2 PHE A 75 -9.843 -20.041 2.456 1.00 60.24 H new ATOM 0 HE1 PHE A 75 -10.526 -15.699 0.248 1.00 2.50 H new ATOM 0 HE2 PHE A 75 -8.712 -19.556 0.330 1.00 45.51 H new ATOM 0 HZ PHE A 75 -9.053 -17.383 -0.779 1.00 64.34 H new ATOM 1160 N SER A 76 -14.438 -17.311 3.089 1.00 23.30 N ATOM 1161 CA SER A 76 -15.253 -16.502 2.191 1.00 40.21 C ATOM 1162 C SER A 76 -15.610 -15.167 2.837 1.00 53.53 C ATOM 1163 O SER A 76 -16.710 -14.647 2.647 1.00 33.54 O ATOM 1164 CB SER A 76 -16.529 -17.254 1.809 1.00 71.20 C ATOM 1165 OG SER A 76 -17.523 -17.114 2.810 1.00 63.13 O ATOM 0 H SER A 76 -14.490 -17.036 4.070 1.00 23.30 H new ATOM 0 HA SER A 76 -14.672 -16.306 1.290 1.00 40.21 H new ATOM 0 HB2 SER A 76 -16.908 -16.875 0.860 1.00 71.20 H new ATOM 0 HB3 SER A 76 -16.302 -18.310 1.662 1.00 71.20 H new ATOM 0 HG SER A 76 -17.820 -16.181 2.848 1.00 63.13 H new ATOM 1171 N SER A 77 -14.672 -14.616 3.601 1.00 51.14 N ATOM 1172 CA SER A 77 -14.888 -13.343 4.278 1.00 10.03 C ATOM 1173 C SER A 77 -13.559 -12.661 4.590 1.00 32.31 C ATOM 1174 O SER A 77 -12.565 -13.323 4.889 1.00 2.34 O ATOM 1175 CB SER A 77 -15.680 -13.557 5.570 1.00 40.42 C ATOM 1176 OG SER A 77 -16.788 -14.413 5.353 1.00 50.12 O ATOM 0 H SER A 77 -13.755 -15.031 3.766 1.00 51.14 H new ATOM 0 HA SER A 77 -15.460 -12.697 3.612 1.00 10.03 H new ATOM 0 HB2 SER A 77 -15.029 -13.985 6.332 1.00 40.42 H new ATOM 0 HB3 SER A 77 -16.028 -12.597 5.951 1.00 40.42 H new ATOM 0 HG SER A 77 -17.277 -14.535 6.194 1.00 50.12 H new ATOM 1182 N ASP A 78 -13.551 -11.335 4.518 1.00 43.05 N ATOM 1183 CA ASP A 78 -12.345 -10.562 4.793 1.00 53.23 C ATOM 1184 C ASP A 78 -11.748 -10.949 6.142 1.00 44.11 C ATOM 1185 O ASP A 78 -10.529 -11.043 6.287 1.00 34.30 O ATOM 1186 CB ASP A 78 -12.658 -9.065 4.770 1.00 44.30 C ATOM 1187 CG ASP A 78 -13.627 -8.659 5.862 1.00 13.14 C ATOM 1188 OD1 ASP A 78 -14.690 -9.304 5.981 1.00 0.43 O ATOM 1189 OD2 ASP A 78 -13.324 -7.696 6.598 1.00 70.01 O ATOM 0 H ASP A 78 -14.366 -10.773 4.272 1.00 43.05 H new ATOM 0 HA ASP A 78 -11.614 -10.785 4.015 1.00 53.23 H new ATOM 0 HB2 ASP A 78 -11.732 -8.501 4.882 1.00 44.30 H new ATOM 0 HB3 ASP A 78 -13.077 -8.799 3.799 1.00 44.30 H new ATOM 1194 N GLU A 79 -12.614 -11.171 7.126 1.00 41.54 N ATOM 1195 CA GLU A 79 -12.170 -11.545 8.463 1.00 33.31 C ATOM 1196 C GLU A 79 -11.354 -12.834 8.424 1.00 5.34 C ATOM 1197 O GLU A 79 -10.471 -13.046 9.255 1.00 44.41 O ATOM 1198 CB GLU A 79 -13.373 -11.719 9.393 1.00 3.45 C ATOM 1199 CG GLU A 79 -14.155 -12.998 9.146 1.00 45.31 C ATOM 1200 CD GLU A 79 -15.541 -12.962 9.759 1.00 21.12 C ATOM 1201 OE1 GLU A 79 -15.639 -12.993 11.004 1.00 52.41 O ATOM 1202 OE2 GLU A 79 -16.527 -12.904 8.995 1.00 21.03 O ATOM 0 H GLU A 79 -13.626 -11.098 7.022 1.00 41.54 H new ATOM 0 HA GLU A 79 -11.536 -10.745 8.845 1.00 33.31 H new ATOM 0 HB2 GLU A 79 -13.027 -11.709 10.426 1.00 3.45 H new ATOM 0 HB3 GLU A 79 -14.041 -10.866 9.272 1.00 3.45 H new ATOM 0 HG2 GLU A 79 -14.241 -13.165 8.072 1.00 45.31 H new ATOM 0 HG3 GLU A 79 -13.602 -13.843 9.557 1.00 45.31 H new ATOM 1209 N GLU A 80 -11.656 -13.690 7.454 1.00 32.50 N ATOM 1210 CA GLU A 80 -10.951 -14.958 7.308 1.00 32.51 C ATOM 1211 C GLU A 80 -9.614 -14.759 6.600 1.00 72.21 C ATOM 1212 O GLU A 80 -8.664 -15.512 6.819 1.00 32.11 O ATOM 1213 CB GLU A 80 -11.809 -15.958 6.529 1.00 12.15 C ATOM 1214 CG GLU A 80 -12.955 -16.539 7.341 1.00 25.04 C ATOM 1215 CD GLU A 80 -12.488 -17.169 8.640 1.00 75.25 C ATOM 1216 OE1 GLU A 80 -11.393 -17.769 8.647 1.00 32.42 O ATOM 1217 OE2 GLU A 80 -13.218 -17.063 9.647 1.00 13.40 O ATOM 0 H GLU A 80 -12.384 -13.529 6.758 1.00 32.50 H new ATOM 0 HA GLU A 80 -10.759 -15.354 8.305 1.00 32.51 H new ATOM 0 HB2 GLU A 80 -12.214 -15.465 5.645 1.00 12.15 H new ATOM 0 HB3 GLU A 80 -11.175 -16.772 6.177 1.00 12.15 H new ATOM 0 HG2 GLU A 80 -13.675 -15.751 7.562 1.00 25.04 H new ATOM 0 HG3 GLU A 80 -13.475 -17.288 6.744 1.00 25.04 H new ATOM 1224 N LEU A 81 -9.548 -13.741 5.750 1.00 51.24 N ATOM 1225 CA LEU A 81 -8.328 -13.441 5.008 1.00 71.53 C ATOM 1226 C LEU A 81 -7.253 -12.878 5.932 1.00 55.43 C ATOM 1227 O LEU A 81 -6.119 -13.358 5.949 1.00 14.43 O ATOM 1228 CB LEU A 81 -8.623 -12.447 3.883 1.00 63.40 C ATOM 1229 CG LEU A 81 -9.134 -13.048 2.573 1.00 34.22 C ATOM 1230 CD1 LEU A 81 -8.128 -14.041 2.012 1.00 10.22 C ATOM 1231 CD2 LEU A 81 -10.485 -13.717 2.785 1.00 42.11 C ATOM 0 H LEU A 81 -10.325 -13.109 5.557 1.00 51.24 H new ATOM 0 HA LEU A 81 -7.958 -14.370 4.575 1.00 71.53 H new ATOM 0 HB2 LEU A 81 -9.361 -11.730 4.243 1.00 63.40 H new ATOM 0 HB3 LEU A 81 -7.712 -11.887 3.672 1.00 63.40 H new ATOM 0 HG LEU A 81 -9.259 -12.242 1.850 1.00 34.22 H new ATOM 0 HD11 LEU A 81 -8.509 -14.458 1.080 1.00 10.22 H new ATOM 0 HD12 LEU A 81 -7.182 -13.533 1.822 1.00 10.22 H new ATOM 0 HD13 LEU A 81 -7.970 -14.845 2.731 1.00 10.22 H new ATOM 0 HD21 LEU A 81 -10.834 -14.139 1.843 1.00 42.11 H new ATOM 0 HD22 LEU A 81 -10.385 -14.512 3.524 1.00 42.11 H new ATOM 0 HD23 LEU A 81 -11.205 -12.979 3.140 1.00 42.11 H new ATOM 1243 N THR A 82 -7.618 -11.856 6.701 1.00 61.30 N ATOM 1244 CA THR A 82 -6.686 -11.228 7.628 1.00 10.45 C ATOM 1245 C THR A 82 -6.021 -12.264 8.527 1.00 13.02 C ATOM 1246 O THR A 82 -4.893 -12.074 8.981 1.00 54.51 O ATOM 1247 CB THR A 82 -7.391 -10.178 8.509 1.00 73.45 C ATOM 1248 OG1 THR A 82 -6.422 -9.316 9.115 1.00 31.30 O ATOM 1249 CG2 THR A 82 -8.226 -10.851 9.588 1.00 2.44 C ATOM 0 H THR A 82 -8.552 -11.446 6.699 1.00 61.30 H new ATOM 0 HA THR A 82 -5.925 -10.734 7.024 1.00 10.45 H new ATOM 0 HB THR A 82 -8.053 -9.588 7.875 1.00 73.45 H new ATOM 0 HG1 THR A 82 -6.878 -8.651 9.672 1.00 31.30 H new ATOM 0 HG21 THR A 82 -8.714 -10.091 10.198 1.00 2.44 H new ATOM 0 HG22 THR A 82 -8.982 -11.483 9.122 1.00 2.44 H new ATOM 0 HG23 THR A 82 -7.581 -11.462 10.219 1.00 2.44 H new ATOM 1257 N MET A 83 -6.727 -13.361 8.780 1.00 73.21 N ATOM 1258 CA MET A 83 -6.203 -14.429 9.624 1.00 75.14 C ATOM 1259 C MET A 83 -5.299 -15.360 8.823 1.00 62.42 C ATOM 1260 O MET A 83 -4.253 -15.792 9.307 1.00 71.42 O ATOM 1261 CB MET A 83 -7.352 -15.226 10.247 1.00 45.35 C ATOM 1262 CG MET A 83 -7.035 -15.767 11.631 1.00 4.43 C ATOM 1263 SD MET A 83 -7.201 -14.517 12.920 1.00 2.41 S ATOM 1264 CE MET A 83 -8.955 -14.620 13.268 1.00 41.35 C ATOM 0 H MET A 83 -7.663 -13.534 8.413 1.00 73.21 H new ATOM 0 HA MET A 83 -5.613 -13.974 10.419 1.00 75.14 H new ATOM 0 HB2 MET A 83 -8.234 -14.589 10.308 1.00 45.35 H new ATOM 0 HB3 MET A 83 -7.605 -16.058 9.590 1.00 45.35 H new ATOM 0 HG2 MET A 83 -7.700 -16.602 11.852 1.00 4.43 H new ATOM 0 HG3 MET A 83 -6.018 -16.159 11.639 1.00 4.43 H new ATOM 0 HE1 MET A 83 -9.214 -13.904 14.048 1.00 41.35 H new ATOM 0 HE2 MET A 83 -9.519 -14.391 12.364 1.00 41.35 H new ATOM 0 HE3 MET A 83 -9.201 -15.627 13.604 1.00 41.35 H new ATOM 1274 N ALA A 84 -5.709 -15.666 7.596 1.00 4.40 N ATOM 1275 CA ALA A 84 -4.934 -16.544 6.728 1.00 30.13 C ATOM 1276 C ALA A 84 -3.586 -15.923 6.381 1.00 44.43 C ATOM 1277 O ALA A 84 -2.615 -16.631 6.117 1.00 24.33 O ATOM 1278 CB ALA A 84 -5.716 -16.857 5.461 1.00 65.01 C ATOM 0 H ALA A 84 -6.574 -15.319 7.181 1.00 4.40 H new ATOM 0 HA ALA A 84 -4.748 -17.474 7.266 1.00 30.13 H new ATOM 0 HB1 ALA A 84 -5.126 -17.513 4.822 1.00 65.01 H new ATOM 0 HB2 ALA A 84 -6.651 -17.351 5.723 1.00 65.01 H new ATOM 0 HB3 ALA A 84 -5.932 -15.931 4.929 1.00 65.01 H new ATOM 1284 N MET A 85 -3.534 -14.595 6.381 1.00 5.43 N ATOM 1285 CA MET A 85 -2.303 -13.878 6.066 1.00 20.32 C ATOM 1286 C MET A 85 -1.268 -14.063 7.171 1.00 20.54 C ATOM 1287 O MET A 85 -0.066 -13.950 6.934 1.00 45.41 O ATOM 1288 CB MET A 85 -2.591 -12.389 5.866 1.00 74.32 C ATOM 1289 CG MET A 85 -3.444 -12.095 4.642 1.00 3.31 C ATOM 1290 SD MET A 85 -3.045 -10.508 3.884 1.00 72.23 S ATOM 1291 CE MET A 85 -2.895 -10.983 2.163 1.00 33.43 C ATOM 0 H MET A 85 -4.329 -13.994 6.595 1.00 5.43 H new ATOM 0 HA MET A 85 -1.899 -14.290 5.141 1.00 20.32 H new ATOM 0 HB2 MET A 85 -3.095 -12.002 6.752 1.00 74.32 H new ATOM 0 HB3 MET A 85 -1.646 -11.853 5.778 1.00 74.32 H new ATOM 0 HG2 MET A 85 -3.306 -12.889 3.908 1.00 3.31 H new ATOM 0 HG3 MET A 85 -4.496 -12.103 4.926 1.00 3.31 H new ATOM 0 HE1 MET A 85 -2.650 -10.106 1.564 1.00 33.43 H new ATOM 0 HE2 MET A 85 -2.105 -11.727 2.058 1.00 33.43 H new ATOM 0 HE3 MET A 85 -3.839 -11.405 1.819 1.00 33.43 H new ATOM 1301 N SER A 86 -1.743 -14.349 8.379 1.00 12.04 N ATOM 1302 CA SER A 86 -0.859 -14.546 9.522 1.00 42.30 C ATOM 1303 C SER A 86 -0.054 -15.833 9.371 1.00 35.30 C ATOM 1304 O SER A 86 1.036 -15.966 9.928 1.00 73.45 O ATOM 1305 CB SER A 86 -1.668 -14.586 10.820 1.00 53.25 C ATOM 1306 OG SER A 86 -0.817 -14.568 11.952 1.00 31.14 O ATOM 0 H SER A 86 -2.736 -14.450 8.592 1.00 12.04 H new ATOM 0 HA SER A 86 -0.165 -13.706 9.561 1.00 42.30 H new ATOM 0 HB2 SER A 86 -2.345 -13.733 10.857 1.00 53.25 H new ATOM 0 HB3 SER A 86 -2.286 -15.484 10.840 1.00 53.25 H new ATOM 0 HG SER A 86 -1.358 -14.593 12.769 1.00 31.14 H new ATOM 1312 N TYR A 87 -0.600 -16.779 8.615 1.00 54.14 N ATOM 1313 CA TYR A 87 0.064 -18.058 8.391 1.00 12.55 C ATOM 1314 C TYR A 87 1.031 -17.971 7.215 1.00 73.15 C ATOM 1315 O TYR A 87 1.900 -18.826 7.046 1.00 24.01 O ATOM 1316 CB TYR A 87 -0.970 -19.156 8.137 1.00 52.42 C ATOM 1317 CG TYR A 87 -1.973 -19.315 9.257 1.00 3.04 C ATOM 1318 CD1 TYR A 87 -3.094 -18.498 9.335 1.00 44.21 C ATOM 1319 CD2 TYR A 87 -1.799 -20.284 10.238 1.00 12.23 C ATOM 1320 CE1 TYR A 87 -4.012 -18.640 10.357 1.00 5.55 C ATOM 1321 CE2 TYR A 87 -2.713 -20.434 11.264 1.00 42.43 C ATOM 1322 CZ TYR A 87 -3.817 -19.609 11.319 1.00 1.22 C ATOM 1323 OH TYR A 87 -4.730 -19.754 12.339 1.00 62.14 O ATOM 0 H TYR A 87 -1.501 -16.684 8.147 1.00 54.14 H new ATOM 0 HA TYR A 87 0.633 -18.305 9.287 1.00 12.55 H new ATOM 0 HB2 TYR A 87 -1.503 -18.934 7.212 1.00 52.42 H new ATOM 0 HB3 TYR A 87 -0.452 -20.103 7.987 1.00 52.42 H new ATOM 0 HD1 TYR A 87 -3.250 -17.739 8.583 1.00 44.21 H new ATOM 0 HD2 TYR A 87 -0.935 -20.931 10.198 1.00 12.23 H new ATOM 0 HE1 TYR A 87 -4.878 -17.996 10.403 1.00 5.55 H new ATOM 0 HE2 TYR A 87 -2.564 -21.193 12.018 1.00 42.43 H new ATOM 0 HH TYR A 87 -4.446 -20.481 12.931 1.00 62.14 H new ATOM 1333 N VAL A 88 0.872 -16.931 6.402 1.00 3.11 N ATOM 1334 CA VAL A 88 1.731 -16.730 5.241 1.00 3.23 C ATOM 1335 C VAL A 88 3.158 -16.397 5.664 1.00 13.02 C ATOM 1336 O VAL A 88 4.094 -17.140 5.369 1.00 2.30 O ATOM 1337 CB VAL A 88 1.199 -15.602 4.338 1.00 51.51 C ATOM 1338 CG1 VAL A 88 2.097 -15.421 3.123 1.00 35.43 C ATOM 1339 CG2 VAL A 88 -0.234 -15.890 3.915 1.00 45.34 C ATOM 0 H VAL A 88 0.156 -16.215 6.526 1.00 3.11 H new ATOM 0 HA VAL A 88 1.730 -17.665 4.681 1.00 3.23 H new ATOM 0 HB VAL A 88 1.206 -14.672 4.906 1.00 51.51 H new ATOM 0 HG11 VAL A 88 1.705 -14.620 2.497 1.00 35.43 H new ATOM 0 HG12 VAL A 88 3.105 -15.166 3.450 1.00 35.43 H new ATOM 0 HG13 VAL A 88 2.125 -16.348 2.550 1.00 35.43 H new ATOM 0 HG21 VAL A 88 -0.594 -15.083 3.277 1.00 45.34 H new ATOM 0 HG22 VAL A 88 -0.269 -16.830 3.365 1.00 45.34 H new ATOM 0 HG23 VAL A 88 -0.867 -15.964 4.800 1.00 45.34 H new ATOM 1349 N LYS A 89 3.317 -15.275 6.358 1.00 34.24 N ATOM 1350 CA LYS A 89 4.629 -14.843 6.825 1.00 54.12 C ATOM 1351 C LYS A 89 5.589 -14.660 5.654 1.00 1.51 C ATOM 1352 O LYS A 89 6.807 -14.717 5.823 1.00 22.44 O ATOM 1353 CB LYS A 89 5.202 -15.860 7.814 1.00 72.31 C ATOM 1354 CG LYS A 89 4.713 -15.665 9.239 1.00 45.01 C ATOM 1355 CD LYS A 89 5.415 -16.607 10.203 1.00 74.43 C ATOM 1356 CE LYS A 89 5.374 -16.079 11.628 1.00 14.33 C ATOM 1357 NZ LYS A 89 5.773 -17.118 12.617 1.00 31.11 N ATOM 0 H LYS A 89 2.553 -14.648 6.610 1.00 34.24 H new ATOM 0 HA LYS A 89 4.510 -13.884 7.329 1.00 54.12 H new ATOM 0 HB2 LYS A 89 4.939 -16.864 7.483 1.00 72.31 H new ATOM 0 HB3 LYS A 89 6.290 -15.795 7.800 1.00 72.31 H new ATOM 0 HG2 LYS A 89 4.886 -14.634 9.546 1.00 45.01 H new ATOM 0 HG3 LYS A 89 3.637 -15.834 9.282 1.00 45.01 H new ATOM 0 HD2 LYS A 89 4.942 -17.588 10.164 1.00 74.43 H new ATOM 0 HD3 LYS A 89 6.451 -16.740 9.893 1.00 74.43 H new ATOM 0 HE2 LYS A 89 6.039 -15.220 11.716 1.00 14.33 H new ATOM 0 HE3 LYS A 89 4.368 -15.728 11.856 1.00 14.33 H new ATOM 0 HZ1 LYS A 89 5.732 -16.718 13.576 1.00 31.11 H new ATOM 0 HZ2 LYS A 89 5.123 -17.928 12.551 1.00 31.11 H new ATOM 0 HZ3 LYS A 89 6.743 -17.435 12.415 1.00 31.11 H new ATOM 1371 N ASP A 90 5.033 -14.437 4.468 1.00 23.13 N ATOM 1372 CA ASP A 90 5.841 -14.242 3.270 1.00 60.43 C ATOM 1373 C ASP A 90 5.093 -13.400 2.241 1.00 2.54 C ATOM 1374 O ASP A 90 4.043 -12.829 2.537 1.00 21.03 O ATOM 1375 CB ASP A 90 6.222 -15.593 2.661 1.00 50.32 C ATOM 1376 CG ASP A 90 6.895 -16.510 3.662 1.00 24.24 C ATOM 1377 OD1 ASP A 90 8.032 -16.202 4.079 1.00 71.30 O ATOM 1378 OD2 ASP A 90 6.286 -17.536 4.030 1.00 15.34 O ATOM 0 H ASP A 90 4.026 -14.387 4.311 1.00 23.13 H new ATOM 0 HA ASP A 90 6.749 -13.711 3.556 1.00 60.43 H new ATOM 0 HB2 ASP A 90 5.327 -16.079 2.273 1.00 50.32 H new ATOM 0 HB3 ASP A 90 6.890 -15.431 1.815 1.00 50.32 H new ATOM 1383 N ASP A 91 5.642 -13.325 1.034 1.00 55.02 N ATOM 1384 CA ASP A 91 5.027 -12.552 -0.039 1.00 14.32 C ATOM 1385 C ASP A 91 4.284 -13.464 -1.010 1.00 33.24 C ATOM 1386 O ASP A 91 4.069 -13.110 -2.169 1.00 42.41 O ATOM 1387 CB ASP A 91 6.088 -11.745 -0.788 1.00 62.24 C ATOM 1388 CG ASP A 91 7.277 -12.593 -1.198 1.00 55.34 C ATOM 1389 OD1 ASP A 91 8.107 -12.914 -0.323 1.00 2.24 O ATOM 1390 OD2 ASP A 91 7.375 -12.936 -2.395 1.00 5.41 O ATOM 0 H ASP A 91 6.512 -13.790 0.774 1.00 55.02 H new ATOM 0 HA ASP A 91 4.308 -11.865 0.408 1.00 14.32 H new ATOM 0 HB2 ASP A 91 5.641 -11.298 -1.676 1.00 62.24 H new ATOM 0 HB3 ASP A 91 6.430 -10.925 -0.156 1.00 62.24 H new ATOM 1395 N ILE A 92 3.895 -14.640 -0.528 1.00 71.14 N ATOM 1396 CA ILE A 92 3.176 -15.603 -1.354 1.00 4.02 C ATOM 1397 C ILE A 92 2.011 -16.222 -0.589 1.00 4.33 C ATOM 1398 O ILE A 92 2.206 -16.880 0.433 1.00 34.14 O ATOM 1399 CB ILE A 92 4.107 -16.727 -1.847 1.00 12.11 C ATOM 1400 CG1 ILE A 92 5.330 -16.135 -2.549 1.00 42.53 C ATOM 1401 CG2 ILE A 92 3.356 -17.665 -2.780 1.00 52.11 C ATOM 1402 CD1 ILE A 92 6.303 -17.178 -3.052 1.00 31.45 C ATOM 0 H ILE A 92 4.065 -14.949 0.429 1.00 71.14 H new ATOM 0 HA ILE A 92 2.792 -15.056 -2.215 1.00 4.02 H new ATOM 0 HB ILE A 92 4.449 -17.300 -0.985 1.00 12.11 H new ATOM 0 HG12 ILE A 92 4.997 -15.526 -3.389 1.00 42.53 H new ATOM 0 HG13 ILE A 92 5.848 -15.470 -1.859 1.00 42.53 H new ATOM 0 HG21 ILE A 92 4.027 -18.454 -3.120 1.00 52.11 H new ATOM 0 HG22 ILE A 92 2.514 -18.109 -2.249 1.00 52.11 H new ATOM 0 HG23 ILE A 92 2.989 -17.105 -3.640 1.00 52.11 H new ATOM 0 HD11 ILE A 92 7.145 -16.686 -3.538 1.00 31.45 H new ATOM 0 HD12 ILE A 92 6.665 -17.772 -2.213 1.00 31.45 H new ATOM 0 HD13 ILE A 92 5.801 -17.829 -3.768 1.00 31.45 H new ATOM 1414 N PHE A 93 0.800 -16.007 -1.091 1.00 61.24 N ATOM 1415 CA PHE A 93 -0.397 -16.545 -0.456 1.00 15.50 C ATOM 1416 C PHE A 93 -0.912 -17.767 -1.211 1.00 10.40 C ATOM 1417 O PHE A 93 -1.449 -17.648 -2.312 1.00 71.34 O ATOM 1418 CB PHE A 93 -1.489 -15.475 -0.390 1.00 53.41 C ATOM 1419 CG PHE A 93 -2.732 -15.929 0.321 1.00 60.34 C ATOM 1420 CD1 PHE A 93 -2.648 -16.604 1.528 1.00 70.23 C ATOM 1421 CD2 PHE A 93 -3.984 -15.682 -0.219 1.00 31.12 C ATOM 1422 CE1 PHE A 93 -3.790 -17.024 2.185 1.00 44.45 C ATOM 1423 CE2 PHE A 93 -5.129 -16.099 0.434 1.00 51.34 C ATOM 1424 CZ PHE A 93 -5.032 -16.771 1.636 1.00 23.41 C ATOM 0 H PHE A 93 0.621 -15.464 -1.936 1.00 61.24 H new ATOM 0 HA PHE A 93 -0.134 -16.850 0.557 1.00 15.50 H new ATOM 0 HB2 PHE A 93 -1.093 -14.594 0.115 1.00 53.41 H new ATOM 0 HB3 PHE A 93 -1.750 -15.171 -1.404 1.00 53.41 H new ATOM 0 HD1 PHE A 93 -1.679 -16.805 1.961 1.00 70.23 H new ATOM 0 HD2 PHE A 93 -4.066 -15.158 -1.160 1.00 31.12 H new ATOM 0 HE1 PHE A 93 -3.711 -17.549 3.126 1.00 44.45 H new ATOM 0 HE2 PHE A 93 -6.099 -15.899 0.004 1.00 51.34 H new ATOM 0 HZ PHE A 93 -5.926 -17.098 2.146 1.00 23.41 H new ATOM 1434 N ARG A 94 -0.743 -18.940 -0.610 1.00 71.14 N ATOM 1435 CA ARG A 94 -1.188 -20.184 -1.226 1.00 33.41 C ATOM 1436 C ARG A 94 -2.580 -20.568 -0.732 1.00 11.13 C ATOM 1437 O ARG A 94 -2.896 -20.410 0.448 1.00 41.30 O ATOM 1438 CB ARG A 94 -0.199 -21.311 -0.922 1.00 31.11 C ATOM 1439 CG ARG A 94 1.257 -20.899 -1.067 1.00 13.15 C ATOM 1440 CD ARG A 94 2.192 -22.084 -0.886 1.00 31.33 C ATOM 1441 NE ARG A 94 2.435 -22.379 0.524 1.00 63.43 N ATOM 1442 CZ ARG A 94 3.093 -23.453 0.947 1.00 60.23 C ATOM 1443 NH1 ARG A 94 3.571 -24.329 0.073 1.00 11.23 N ATOM 1444 NH2 ARG A 94 3.274 -23.653 2.246 1.00 44.50 N ATOM 0 H ARG A 94 -0.301 -19.055 0.302 1.00 71.14 H new ATOM 0 HA ARG A 94 -1.233 -20.030 -2.304 1.00 33.41 H new ATOM 0 HB2 ARG A 94 -0.368 -21.667 0.094 1.00 31.11 H new ATOM 0 HB3 ARG A 94 -0.399 -22.149 -1.590 1.00 31.11 H new ATOM 0 HG2 ARG A 94 1.415 -20.457 -2.051 1.00 13.15 H new ATOM 0 HG3 ARG A 94 1.494 -20.131 -0.330 1.00 13.15 H new ATOM 0 HD2 ARG A 94 1.764 -22.961 -1.371 1.00 31.33 H new ATOM 0 HD3 ARG A 94 3.140 -21.877 -1.382 1.00 31.33 H new ATOM 0 HE ARG A 94 2.080 -21.725 1.222 1.00 63.43 H new ATOM 0 HH11 ARG A 94 3.434 -24.179 -0.927 1.00 11.23 H new ATOM 0 HH12 ARG A 94 4.076 -25.153 0.401 1.00 11.23 H new ATOM 0 HH21 ARG A 94 2.908 -22.982 2.921 1.00 44.50 H new ATOM 0 HH22 ARG A 94 3.779 -24.478 2.569 1.00 44.50 H new ATOM 1458 N ILE A 95 -3.407 -21.072 -1.641 1.00 53.33 N ATOM 1459 CA ILE A 95 -4.764 -21.478 -1.298 1.00 13.15 C ATOM 1460 C ILE A 95 -5.259 -22.582 -2.225 1.00 72.32 C ATOM 1461 O ILE A 95 -4.775 -22.728 -3.348 1.00 1.12 O ATOM 1462 CB ILE A 95 -5.742 -20.290 -1.365 1.00 42.33 C ATOM 1463 CG1 ILE A 95 -5.566 -19.531 -2.682 1.00 43.31 C ATOM 1464 CG2 ILE A 95 -5.529 -19.361 -0.180 1.00 0.55 C ATOM 1465 CD1 ILE A 95 -6.576 -18.422 -2.880 1.00 64.12 C ATOM 0 H ILE A 95 -3.161 -21.209 -2.621 1.00 53.33 H new ATOM 0 HA ILE A 95 -4.731 -21.853 -0.275 1.00 13.15 H new ATOM 0 HB ILE A 95 -6.761 -20.674 -1.322 1.00 42.33 H new ATOM 0 HG12 ILE A 95 -4.562 -19.108 -2.717 1.00 43.31 H new ATOM 0 HG13 ILE A 95 -5.644 -20.235 -3.511 1.00 43.31 H new ATOM 0 HG21 ILE A 95 -6.228 -18.527 -0.242 1.00 0.55 H new ATOM 0 HG22 ILE A 95 -5.699 -19.909 0.747 1.00 0.55 H new ATOM 0 HG23 ILE A 95 -4.508 -18.981 -0.195 1.00 0.55 H new ATOM 0 HD11 ILE A 95 -6.391 -17.928 -3.834 1.00 64.12 H new ATOM 0 HD12 ILE A 95 -7.582 -18.841 -2.878 1.00 64.12 H new ATOM 0 HD13 ILE A 95 -6.483 -17.697 -2.071 1.00 64.12 H new ATOM 1477 N TYR A 96 -6.228 -23.357 -1.749 1.00 64.04 N ATOM 1478 CA TYR A 96 -6.788 -24.449 -2.536 1.00 35.33 C ATOM 1479 C TYR A 96 -8.153 -24.068 -3.101 1.00 73.53 C ATOM 1480 O TYR A 96 -9.132 -23.950 -2.364 1.00 1.54 O ATOM 1481 CB TYR A 96 -6.913 -25.711 -1.679 1.00 41.43 C ATOM 1482 CG TYR A 96 -5.582 -26.275 -1.235 1.00 51.24 C ATOM 1483 CD1 TYR A 96 -4.818 -25.627 -0.272 1.00 64.44 C ATOM 1484 CD2 TYR A 96 -5.089 -27.454 -1.779 1.00 62.23 C ATOM 1485 CE1 TYR A 96 -3.601 -26.139 0.136 1.00 42.41 C ATOM 1486 CE2 TYR A 96 -3.874 -27.973 -1.376 1.00 20.40 C ATOM 1487 CZ TYR A 96 -3.134 -27.312 -0.418 1.00 64.04 C ATOM 1488 OH TYR A 96 -1.922 -27.825 -0.015 1.00 72.30 O ATOM 0 H TYR A 96 -6.641 -23.249 -0.823 1.00 64.04 H new ATOM 0 HA TYR A 96 -6.112 -24.648 -3.368 1.00 35.33 H new ATOM 0 HB2 TYR A 96 -7.514 -25.484 -0.798 1.00 41.43 H new ATOM 0 HB3 TYR A 96 -7.450 -26.472 -2.244 1.00 41.43 H new ATOM 0 HD1 TYR A 96 -5.181 -24.708 0.165 1.00 64.44 H new ATOM 0 HD2 TYR A 96 -5.665 -27.974 -2.530 1.00 62.23 H new ATOM 0 HE1 TYR A 96 -3.019 -25.623 0.885 1.00 42.41 H new ATOM 0 HE2 TYR A 96 -3.505 -28.891 -1.809 1.00 20.40 H new ATOM 0 HH TYR A 96 -1.740 -28.656 -0.502 1.00 72.30 H new ATOM 1498 N ILE A 97 -8.210 -23.879 -4.415 1.00 62.43 N ATOM 1499 CA ILE A 97 -9.454 -23.514 -5.081 1.00 41.11 C ATOM 1500 C ILE A 97 -10.241 -24.753 -5.494 1.00 61.01 C ATOM 1501 O ILE A 97 -9.697 -25.672 -6.107 1.00 31.22 O ATOM 1502 CB ILE A 97 -9.192 -22.647 -6.327 1.00 11.02 C ATOM 1503 CG1 ILE A 97 -8.263 -21.482 -5.978 1.00 71.34 C ATOM 1504 CG2 ILE A 97 -10.504 -22.132 -6.899 1.00 14.00 C ATOM 1505 CD1 ILE A 97 -8.795 -20.594 -4.876 1.00 55.52 C ATOM 0 H ILE A 97 -7.409 -23.973 -5.039 1.00 62.43 H new ATOM 0 HA ILE A 97 -10.039 -22.938 -4.364 1.00 41.11 H new ATOM 0 HB ILE A 97 -8.705 -23.262 -7.084 1.00 11.02 H new ATOM 0 HG12 ILE A 97 -7.293 -21.879 -5.677 1.00 71.34 H new ATOM 0 HG13 ILE A 97 -8.098 -20.879 -6.871 1.00 71.34 H new ATOM 0 HG21 ILE A 97 -10.302 -21.521 -7.779 1.00 14.00 H new ATOM 0 HG22 ILE A 97 -11.135 -22.976 -7.180 1.00 14.00 H new ATOM 0 HG23 ILE A 97 -11.016 -21.530 -6.149 1.00 14.00 H new ATOM 0 HD11 ILE A 97 -8.085 -19.790 -4.682 1.00 55.52 H new ATOM 0 HD12 ILE A 97 -9.751 -20.168 -5.181 1.00 55.52 H new ATOM 0 HD13 ILE A 97 -8.933 -21.183 -3.969 1.00 55.52 H new ATOM 1517 N LYS A 98 -11.526 -24.771 -5.156 1.00 42.12 N ATOM 1518 CA LYS A 98 -12.391 -25.895 -5.494 1.00 23.11 C ATOM 1519 C LYS A 98 -13.750 -25.408 -5.985 1.00 10.51 C ATOM 1520 O LYS A 98 -14.386 -24.570 -5.346 1.00 72.11 O ATOM 1521 CB LYS A 98 -12.573 -26.808 -4.279 1.00 63.13 C ATOM 1522 CG LYS A 98 -11.638 -28.005 -4.272 1.00 45.14 C ATOM 1523 CD LYS A 98 -12.161 -29.116 -3.378 1.00 71.54 C ATOM 1524 CE LYS A 98 -11.507 -30.450 -3.706 1.00 73.14 C ATOM 1525 NZ LYS A 98 -12.405 -31.325 -4.510 1.00 33.33 N ATOM 0 H LYS A 98 -11.992 -24.019 -4.648 1.00 42.12 H new ATOM 0 HA LYS A 98 -11.915 -26.458 -6.297 1.00 23.11 H new ATOM 0 HB2 LYS A 98 -12.412 -26.227 -3.371 1.00 63.13 H new ATOM 0 HB3 LYS A 98 -13.603 -27.162 -4.252 1.00 63.13 H new ATOM 0 HG2 LYS A 98 -11.519 -28.380 -5.288 1.00 45.14 H new ATOM 0 HG3 LYS A 98 -10.651 -27.695 -3.929 1.00 45.14 H new ATOM 0 HD2 LYS A 98 -11.972 -28.864 -2.334 1.00 71.54 H new ATOM 0 HD3 LYS A 98 -13.241 -29.201 -3.495 1.00 71.54 H new ATOM 0 HE2 LYS A 98 -10.582 -30.276 -4.256 1.00 73.14 H new ATOM 0 HE3 LYS A 98 -11.237 -30.959 -2.781 1.00 73.14 H new ATOM 0 HZ1 LYS A 98 -11.923 -32.224 -4.713 1.00 33.33 H new ATOM 0 HZ2 LYS A 98 -13.277 -31.512 -3.975 1.00 33.33 H new ATOM 0 HZ3 LYS A 98 -12.643 -30.850 -5.404 1.00 33.33 H new ATOM 1539 N GLU A 99 -14.189 -25.938 -7.122 1.00 20.41 N ATOM 1540 CA GLU A 99 -15.474 -25.557 -7.697 1.00 5.54 C ATOM 1541 C GLU A 99 -16.617 -26.307 -7.020 1.00 11.45 C ATOM 1542 O GLU A 99 -16.536 -27.515 -6.796 1.00 14.41 O ATOM 1543 CB GLU A 99 -15.487 -25.834 -9.201 1.00 60.42 C ATOM 1544 CG GLU A 99 -15.099 -27.259 -9.561 1.00 0.14 C ATOM 1545 CD GLU A 99 -16.247 -28.040 -10.170 1.00 42.03 C ATOM 1546 OE1 GLU A 99 -17.042 -27.438 -10.922 1.00 20.04 O ATOM 1547 OE2 GLU A 99 -16.349 -29.254 -9.896 1.00 31.11 O ATOM 0 H GLU A 99 -13.674 -26.632 -7.663 1.00 20.41 H new ATOM 0 HA GLU A 99 -15.615 -24.489 -7.531 1.00 5.54 H new ATOM 0 HB2 GLU A 99 -16.484 -25.628 -9.591 1.00 60.42 H new ATOM 0 HB3 GLU A 99 -14.803 -25.144 -9.695 1.00 60.42 H new ATOM 0 HG2 GLU A 99 -14.266 -27.238 -10.263 1.00 0.14 H new ATOM 0 HG3 GLU A 99 -14.749 -27.773 -8.666 1.00 0.14 H new ATOM 1554 N LYS A 100 -17.682 -25.581 -6.695 1.00 20.43 N ATOM 1555 CA LYS A 100 -18.843 -26.176 -6.044 1.00 14.32 C ATOM 1556 C LYS A 100 -19.531 -27.178 -6.966 1.00 43.41 C ATOM 1557 O LYS A 100 -19.558 -28.376 -6.686 1.00 34.30 O ATOM 1558 CB LYS A 100 -19.834 -25.086 -5.628 1.00 52.13 C ATOM 1559 CG LYS A 100 -19.315 -24.180 -4.526 1.00 4.33 C ATOM 1560 CD LYS A 100 -20.451 -23.502 -3.779 1.00 51.53 C ATOM 1561 CE LYS A 100 -21.196 -22.520 -4.671 1.00 2.53 C ATOM 1562 NZ LYS A 100 -22.007 -21.555 -3.877 1.00 70.32 N ATOM 0 H LYS A 100 -17.765 -24.580 -6.872 1.00 20.43 H new ATOM 0 HA LYS A 100 -18.498 -26.705 -5.155 1.00 14.32 H new ATOM 0 HB2 LYS A 100 -20.081 -24.479 -6.499 1.00 52.13 H new ATOM 0 HB3 LYS A 100 -20.759 -25.556 -5.295 1.00 52.13 H new ATOM 0 HG2 LYS A 100 -18.716 -24.763 -3.827 1.00 4.33 H new ATOM 0 HG3 LYS A 100 -18.658 -23.423 -4.955 1.00 4.33 H new ATOM 0 HD2 LYS A 100 -21.145 -24.256 -3.407 1.00 51.53 H new ATOM 0 HD3 LYS A 100 -20.054 -22.977 -2.910 1.00 51.53 H new ATOM 0 HE2 LYS A 100 -20.481 -21.974 -5.286 1.00 2.53 H new ATOM 0 HE3 LYS A 100 -21.848 -23.069 -5.351 1.00 2.53 H new ATOM 0 HZ1 LYS A 100 -22.499 -20.903 -4.521 1.00 70.32 H new ATOM 0 HZ2 LYS A 100 -22.706 -22.074 -3.309 1.00 70.32 H new ATOM 0 HZ3 LYS A 100 -21.382 -21.013 -3.246 1.00 70.32 H new TER 1576 LYS A 100