USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 633 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 32 TYR OH : rot -30:sc= 0.0828 USER MOD Set 1.2: A 73 SER OG : rot 71:sc= 0.882 USER MOD Single : A 7 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.33) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 25:sc= -0.563 USER MOD Single : A 16 LYS NZ :NH3+ 144:sc= 0.181 (180deg=-0.76) USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 0.642 (180deg=0.625) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 27 MET CE :methyl 178:sc= -1.16 (180deg=-1.17) USER MOD Single : A 33 ASN : amide:sc= -1.51 K(o=-1.5,f=0.0017) USER MOD Single : A 38 LYS NZ :NH3+ 156:sc= 0.527 (180deg=0.113) USER MOD Single : A 39 ASN : amide:sc= -0.652 K(o=-0.65,f=-5.8!) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0.404 (180deg=0.387) USER MOD Single : A 41 MET CE :methyl 164:sc= -1.28 (180deg=-1.86!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= -0.3 (180deg=-0.312) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -173:sc=-9.14e-05 (180deg=-0.0753) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc=-0.00426 X(o=-0.0043,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0.0291 X(o=0.029,f=-0.14) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO A 4 -7.602 -12.122 3.285 1.00 12.44 N ATOM 29 CA PRO A 4 -6.836 -10.967 2.750 1.00 51.51 C ATOM 30 C PRO A 4 -7.594 -10.128 1.702 1.00 41.24 C ATOM 31 O PRO A 4 -7.433 -8.922 1.668 1.00 30.15 O ATOM 32 CB PRO A 4 -5.561 -11.610 2.152 1.00 14.33 C ATOM 33 CG PRO A 4 -5.416 -12.890 2.914 1.00 62.43 C ATOM 34 CD PRO A 4 -6.827 -13.387 3.137 1.00 32.11 C ATOM 0 HA PRO A 4 -6.631 -10.243 3.538 1.00 51.51 H new ATOM 0 HB2 PRO A 4 -5.668 -11.791 1.082 1.00 14.33 H new ATOM 0 HB3 PRO A 4 -4.690 -10.967 2.281 1.00 14.33 H new ATOM 0 HG2 PRO A 4 -4.828 -13.616 2.353 1.00 62.43 H new ATOM 0 HG3 PRO A 4 -4.903 -12.727 3.862 1.00 62.43 H new ATOM 0 HD2 PRO A 4 -7.183 -13.984 2.297 1.00 32.11 H new ATOM 0 HD3 PRO A 4 -6.900 -14.013 4.027 1.00 32.11 H new ATOM 42 N ASP A 5 -8.439 -10.789 0.889 1.00 41.32 N ATOM 43 CA ASP A 5 -9.260 -10.125 -0.154 1.00 72.14 C ATOM 44 C ASP A 5 -10.369 -9.269 0.472 1.00 43.11 C ATOM 45 O ASP A 5 -10.700 -8.194 -0.037 1.00 65.02 O ATOM 46 CB ASP A 5 -9.896 -11.167 -1.100 1.00 62.22 C ATOM 47 CG ASP A 5 -8.856 -12.067 -1.769 1.00 4.10 C ATOM 48 OD1 ASP A 5 -8.238 -11.641 -2.774 1.00 41.41 O ATOM 49 OD2 ASP A 5 -8.640 -13.204 -1.294 1.00 33.20 O ATOM 0 H ASP A 5 -8.575 -11.799 0.933 1.00 41.32 H new ATOM 0 HA ASP A 5 -8.594 -9.478 -0.725 1.00 72.14 H new ATOM 0 HB2 ASP A 5 -10.596 -11.784 -0.537 1.00 62.22 H new ATOM 0 HB3 ASP A 5 -10.472 -10.651 -1.868 1.00 62.22 H new ATOM 54 N GLU A 6 -10.949 -9.772 1.574 1.00 4.11 N ATOM 55 CA GLU A 6 -12.002 -9.058 2.325 1.00 30.03 C ATOM 56 C GLU A 6 -11.384 -7.900 3.123 1.00 2.21 C ATOM 57 O GLU A 6 -12.041 -6.890 3.396 1.00 73.34 O ATOM 58 CB GLU A 6 -12.761 -10.044 3.253 1.00 21.43 C ATOM 59 CG GLU A 6 -13.252 -11.331 2.541 1.00 4.40 C ATOM 60 CD GLU A 6 -14.080 -11.073 1.257 1.00 51.32 C ATOM 61 OE1 GLU A 6 -15.282 -10.759 1.364 1.00 72.43 O ATOM 62 OE2 GLU A 6 -13.533 -11.183 0.133 1.00 51.14 O ATOM 0 H GLU A 6 -10.705 -10.680 1.970 1.00 4.11 H new ATOM 0 HA GLU A 6 -12.723 -8.638 1.624 1.00 30.03 H new ATOM 0 HB2 GLU A 6 -12.108 -10.325 4.079 1.00 21.43 H new ATOM 0 HB3 GLU A 6 -13.620 -9.531 3.686 1.00 21.43 H new ATOM 0 HG2 GLU A 6 -12.387 -11.943 2.285 1.00 4.40 H new ATOM 0 HG3 GLU A 6 -13.857 -11.910 3.239 1.00 4.40 H new ATOM 69 N ASN A 7 -10.092 -8.064 3.474 1.00 10.13 N ATOM 70 CA ASN A 7 -9.291 -7.010 4.110 1.00 52.03 C ATOM 71 C ASN A 7 -8.959 -5.916 3.075 1.00 10.42 C ATOM 72 O ASN A 7 -9.032 -4.731 3.390 1.00 32.01 O ATOM 73 CB ASN A 7 -7.998 -7.597 4.732 1.00 21.02 C ATOM 74 CG ASN A 7 -8.255 -8.729 5.739 1.00 70.03 C ATOM 75 OD1 ASN A 7 -9.290 -8.780 6.396 1.00 72.43 O ATOM 76 ND2 ASN A 7 -7.305 -9.639 5.882 1.00 61.54 N ATOM 0 H ASN A 7 -9.579 -8.933 3.322 1.00 10.13 H new ATOM 0 HA ASN A 7 -9.871 -6.565 4.919 1.00 52.03 H new ATOM 0 HB2 ASN A 7 -7.359 -7.972 3.933 1.00 21.02 H new ATOM 0 HB3 ASN A 7 -7.450 -6.797 5.230 1.00 21.02 H new ATOM 0 HD21 ASN A 7 -7.426 -10.402 6.548 1.00 61.54 H new ATOM 0 HD22 ASN A 7 -6.452 -9.578 5.326 1.00 61.54 H new ATOM 83 N ILE A 8 -8.645 -6.345 1.824 1.00 31.25 N ATOM 84 CA ILE A 8 -8.414 -5.443 0.667 1.00 41.35 C ATOM 85 C ILE A 8 -9.654 -4.569 0.430 1.00 15.40 C ATOM 86 O ILE A 8 -9.538 -3.354 0.308 1.00 23.24 O ATOM 87 CB ILE A 8 -8.062 -6.268 -0.642 1.00 62.14 C ATOM 88 CG1 ILE A 8 -6.640 -6.899 -0.515 1.00 33.30 C ATOM 89 CG2 ILE A 8 -8.183 -5.420 -1.940 1.00 53.53 C ATOM 90 CD1 ILE A 8 -6.247 -7.853 -1.631 1.00 5.32 C ATOM 0 H ILE A 8 -8.545 -7.333 1.590 1.00 31.25 H new ATOM 0 HA ILE A 8 -7.563 -4.802 0.897 1.00 41.35 H new ATOM 0 HB ILE A 8 -8.800 -7.066 -0.728 1.00 62.14 H new ATOM 0 HG12 ILE A 8 -5.906 -6.094 -0.473 1.00 33.30 H new ATOM 0 HG13 ILE A 8 -6.582 -7.433 0.434 1.00 33.30 H new ATOM 0 HG21 ILE A 8 -7.930 -6.037 -2.802 1.00 53.53 H new ATOM 0 HG22 ILE A 8 -9.205 -5.055 -2.042 1.00 53.53 H new ATOM 0 HG23 ILE A 8 -7.499 -4.573 -1.887 1.00 53.53 H new ATOM 0 HD11 ILE A 8 -5.243 -8.235 -1.447 1.00 5.32 H new ATOM 0 HD12 ILE A 8 -6.951 -8.685 -1.663 1.00 5.32 H new ATOM 0 HD13 ILE A 8 -6.265 -7.325 -2.584 1.00 5.32 H new ATOM 102 N ALA A 9 -10.832 -5.225 0.423 1.00 55.45 N ATOM 103 CA ALA A 9 -12.136 -4.565 0.246 1.00 22.32 C ATOM 104 C ALA A 9 -12.391 -3.518 1.354 1.00 3.12 C ATOM 105 O ALA A 9 -12.935 -2.451 1.089 1.00 31.05 O ATOM 106 CB ALA A 9 -13.249 -5.624 0.224 1.00 21.13 C ATOM 0 H ALA A 9 -10.903 -6.236 0.541 1.00 55.45 H new ATOM 0 HA ALA A 9 -12.132 -4.033 -0.705 1.00 22.32 H new ATOM 0 HB1 ALA A 9 -14.214 -5.135 0.093 1.00 21.13 H new ATOM 0 HB2 ALA A 9 -13.077 -6.315 -0.601 1.00 21.13 H new ATOM 0 HB3 ALA A 9 -13.246 -6.175 1.165 1.00 21.13 H new ATOM 112 N LYS A 10 -11.952 -3.848 2.586 1.00 13.12 N ATOM 113 CA LYS A 10 -12.036 -2.955 3.760 1.00 1.21 C ATOM 114 C LYS A 10 -11.127 -1.715 3.579 1.00 70.02 C ATOM 115 O LYS A 10 -11.530 -0.587 3.888 1.00 0.51 O ATOM 116 CB LYS A 10 -11.636 -3.751 5.032 1.00 42.41 C ATOM 117 CG LYS A 10 -11.580 -2.930 6.338 1.00 34.32 C ATOM 118 CD LYS A 10 -11.114 -3.770 7.553 1.00 71.23 C ATOM 119 CE LYS A 10 -9.726 -4.416 7.349 1.00 24.05 C ATOM 120 NZ LYS A 10 -9.242 -5.093 8.582 1.00 42.32 N ATOM 0 H LYS A 10 -11.525 -4.750 2.796 1.00 13.12 H new ATOM 0 HA LYS A 10 -13.060 -2.596 3.865 1.00 1.21 H new ATOM 0 HB2 LYS A 10 -12.345 -4.568 5.167 1.00 42.41 H new ATOM 0 HB3 LYS A 10 -10.658 -4.202 4.865 1.00 42.41 H new ATOM 0 HG2 LYS A 10 -10.903 -2.087 6.203 1.00 34.32 H new ATOM 0 HG3 LYS A 10 -12.567 -2.516 6.545 1.00 34.32 H new ATOM 0 HD2 LYS A 10 -11.085 -3.133 8.437 1.00 71.23 H new ATOM 0 HD3 LYS A 10 -11.847 -4.553 7.748 1.00 71.23 H new ATOM 0 HE2 LYS A 10 -9.778 -5.139 6.535 1.00 24.05 H new ATOM 0 HE3 LYS A 10 -9.010 -3.651 7.050 1.00 24.05 H new ATOM 0 HZ1 LYS A 10 -8.308 -5.513 8.403 1.00 42.32 H new ATOM 0 HZ2 LYS A 10 -9.167 -4.399 9.353 1.00 42.32 H new ATOM 0 HZ3 LYS A 10 -9.912 -5.841 8.853 1.00 42.32 H new ATOM 134 N PHE A 11 -9.901 -1.944 3.066 1.00 31.53 N ATOM 135 CA PHE A 11 -8.920 -0.866 2.820 1.00 61.10 C ATOM 136 C PHE A 11 -9.343 -0.009 1.610 1.00 74.12 C ATOM 137 O PHE A 11 -8.976 1.153 1.525 1.00 25.13 O ATOM 138 CB PHE A 11 -7.488 -1.435 2.614 1.00 45.14 C ATOM 139 CG PHE A 11 -6.949 -2.253 3.802 1.00 3.02 C ATOM 140 CD1 PHE A 11 -7.098 -1.798 5.119 1.00 4.34 C ATOM 141 CD2 PHE A 11 -6.301 -3.482 3.605 1.00 13.41 C ATOM 142 CE1 PHE A 11 -6.627 -2.544 6.191 1.00 51.10 C ATOM 143 CE2 PHE A 11 -5.836 -4.224 4.680 1.00 73.05 C ATOM 144 CZ PHE A 11 -5.995 -3.754 5.969 1.00 63.22 C ATOM 0 H PHE A 11 -9.565 -2.873 2.812 1.00 31.53 H new ATOM 0 HA PHE A 11 -8.900 -0.230 3.705 1.00 61.10 H new ATOM 0 HB2 PHE A 11 -7.486 -2.065 1.725 1.00 45.14 H new ATOM 0 HB3 PHE A 11 -6.806 -0.607 2.420 1.00 45.14 H new ATOM 0 HD1 PHE A 11 -7.587 -0.853 5.303 1.00 4.34 H new ATOM 0 HD2 PHE A 11 -6.162 -3.855 2.601 1.00 13.41 H new ATOM 0 HE1 PHE A 11 -6.754 -2.179 7.199 1.00 51.10 H new ATOM 0 HE2 PHE A 11 -5.348 -5.172 4.509 1.00 73.05 H new ATOM 0 HZ PHE A 11 -5.626 -4.331 6.804 1.00 63.22 H new ATOM 154 N GLU A 12 -10.117 -0.617 0.686 1.00 63.52 N ATOM 155 CA GLU A 12 -10.685 0.062 -0.498 1.00 13.41 C ATOM 156 C GLU A 12 -11.793 1.058 -0.103 1.00 52.24 C ATOM 157 O GLU A 12 -12.021 2.048 -0.808 1.00 12.34 O ATOM 158 CB GLU A 12 -11.222 -0.988 -1.513 1.00 5.43 C ATOM 159 CG GLU A 12 -10.138 -1.645 -2.403 1.00 13.12 C ATOM 160 CD GLU A 12 -9.620 -0.719 -3.524 1.00 21.34 C ATOM 161 OE1 GLU A 12 -8.875 0.252 -3.233 1.00 23.34 O ATOM 162 OE2 GLU A 12 -9.987 -0.930 -4.705 1.00 25.43 O ATOM 0 H GLU A 12 -10.368 -1.604 0.742 1.00 63.52 H new ATOM 0 HA GLU A 12 -9.888 0.634 -0.973 1.00 13.41 H new ATOM 0 HB2 GLU A 12 -11.744 -1.771 -0.963 1.00 5.43 H new ATOM 0 HB3 GLU A 12 -11.958 -0.507 -2.157 1.00 5.43 H new ATOM 0 HG2 GLU A 12 -9.299 -1.949 -1.776 1.00 13.12 H new ATOM 0 HG3 GLU A 12 -10.546 -2.551 -2.850 1.00 13.12 H new ATOM 169 N LYS A 13 -12.487 0.776 1.017 1.00 63.22 N ATOM 170 CA LYS A 13 -13.476 1.703 1.601 1.00 33.53 C ATOM 171 C LYS A 13 -12.758 2.933 2.154 1.00 11.52 C ATOM 172 O LYS A 13 -13.135 4.066 1.867 1.00 41.05 O ATOM 173 CB LYS A 13 -14.267 1.001 2.726 1.00 41.14 C ATOM 174 CG LYS A 13 -14.977 -0.283 2.269 1.00 64.22 C ATOM 175 CD LYS A 13 -15.559 -1.077 3.447 1.00 2.33 C ATOM 176 CE LYS A 13 -16.072 -2.460 3.033 1.00 22.23 C ATOM 177 NZ LYS A 13 -16.511 -3.265 4.204 1.00 52.11 N ATOM 0 H LYS A 13 -12.379 -0.094 1.539 1.00 63.22 H new ATOM 0 HA LYS A 13 -14.177 2.013 0.826 1.00 33.53 H new ATOM 0 HB2 LYS A 13 -13.586 0.759 3.542 1.00 41.14 H new ATOM 0 HB3 LYS A 13 -15.008 1.694 3.125 1.00 41.14 H new ATOM 0 HG2 LYS A 13 -15.778 -0.026 1.576 1.00 64.22 H new ATOM 0 HG3 LYS A 13 -14.273 -0.911 1.723 1.00 64.22 H new ATOM 0 HD2 LYS A 13 -14.794 -1.193 4.215 1.00 2.33 H new ATOM 0 HD3 LYS A 13 -16.376 -0.510 3.894 1.00 2.33 H new ATOM 0 HE2 LYS A 13 -16.905 -2.345 2.339 1.00 22.23 H new ATOM 0 HE3 LYS A 13 -15.285 -2.994 2.500 1.00 22.23 H new ATOM 0 HZ1 LYS A 13 -16.851 -4.193 3.880 1.00 52.11 H new ATOM 0 HZ2 LYS A 13 -15.710 -3.397 4.854 1.00 52.11 H new ATOM 0 HZ3 LYS A 13 -17.280 -2.768 4.698 1.00 52.11 H new ATOM 191 N ALA A 14 -11.693 2.664 2.930 1.00 50.14 N ATOM 192 CA ALA A 14 -10.825 3.697 3.512 1.00 53.41 C ATOM 193 C ALA A 14 -10.047 4.461 2.419 1.00 55.50 C ATOM 194 O ALA A 14 -9.693 5.622 2.613 1.00 2.13 O ATOM 195 CB ALA A 14 -9.869 3.059 4.530 1.00 71.05 C ATOM 0 H ALA A 14 -11.410 1.714 3.171 1.00 50.14 H new ATOM 0 HA ALA A 14 -11.451 4.426 4.027 1.00 53.41 H new ATOM 0 HB1 ALA A 14 -9.227 3.829 4.959 1.00 71.05 H new ATOM 0 HB2 ALA A 14 -10.446 2.584 5.323 1.00 71.05 H new ATOM 0 HB3 ALA A 14 -9.254 2.310 4.031 1.00 71.05 H new ATOM 201 N TYR A 15 -9.788 3.781 1.277 1.00 73.00 N ATOM 202 CA TYR A 15 -9.077 4.356 0.119 1.00 11.20 C ATOM 203 C TYR A 15 -9.944 5.402 -0.586 1.00 33.43 C ATOM 204 O TYR A 15 -9.533 6.544 -0.764 1.00 75.54 O ATOM 205 CB TYR A 15 -8.693 3.235 -0.892 1.00 41.34 C ATOM 206 CG TYR A 15 -7.901 3.722 -2.113 1.00 53.13 C ATOM 207 CD1 TYR A 15 -6.632 4.270 -1.954 1.00 4.12 C ATOM 208 CD2 TYR A 15 -8.413 3.652 -3.415 1.00 1.23 C ATOM 209 CE1 TYR A 15 -5.903 4.725 -3.027 1.00 24.24 C ATOM 210 CE2 TYR A 15 -7.677 4.110 -4.493 1.00 31.00 C ATOM 211 CZ TYR A 15 -6.421 4.646 -4.288 1.00 12.10 C ATOM 212 OH TYR A 15 -5.674 5.104 -5.348 1.00 33.31 O ATOM 0 H TYR A 15 -10.070 2.811 1.136 1.00 73.00 H new ATOM 0 HA TYR A 15 -8.171 4.838 0.486 1.00 11.20 H new ATOM 0 HB2 TYR A 15 -8.105 2.480 -0.371 1.00 41.34 H new ATOM 0 HB3 TYR A 15 -9.604 2.747 -1.237 1.00 41.34 H new ATOM 0 HD1 TYR A 15 -6.209 4.340 -0.963 1.00 4.12 H new ATOM 0 HD2 TYR A 15 -9.396 3.235 -3.579 1.00 1.23 H new ATOM 0 HE1 TYR A 15 -4.920 5.145 -2.873 1.00 24.24 H new ATOM 0 HE2 TYR A 15 -8.083 4.049 -5.492 1.00 31.00 H new ATOM 0 HH TYR A 15 -4.722 5.070 -5.117 1.00 33.31 H new ATOM 222 N LYS A 16 -11.150 4.975 -0.985 1.00 11.54 N ATOM 223 CA LYS A 16 -12.070 5.788 -1.800 1.00 73.53 C ATOM 224 C LYS A 16 -12.783 6.858 -0.969 1.00 44.33 C ATOM 225 O LYS A 16 -13.205 7.878 -1.518 1.00 43.22 O ATOM 226 CB LYS A 16 -13.072 4.875 -2.535 1.00 24.55 C ATOM 227 CG LYS A 16 -12.396 3.992 -3.602 1.00 71.13 C ATOM 228 CD LYS A 16 -13.350 2.955 -4.215 1.00 24.01 C ATOM 229 CE LYS A 16 -12.656 2.124 -5.306 1.00 71.30 C ATOM 230 NZ LYS A 16 -11.356 1.571 -4.839 1.00 74.21 N ATOM 0 H LYS A 16 -11.518 4.053 -0.752 1.00 11.54 H new ATOM 0 HA LYS A 16 -11.480 6.323 -2.544 1.00 73.53 H new ATOM 0 HB2 LYS A 16 -13.578 4.238 -1.809 1.00 24.55 H new ATOM 0 HB3 LYS A 16 -13.838 5.489 -3.009 1.00 24.55 H new ATOM 0 HG2 LYS A 16 -12.001 4.628 -4.395 1.00 71.13 H new ATOM 0 HG3 LYS A 16 -11.547 3.476 -3.154 1.00 71.13 H new ATOM 0 HD2 LYS A 16 -13.720 2.293 -3.432 1.00 24.01 H new ATOM 0 HD3 LYS A 16 -14.216 3.463 -4.639 1.00 24.01 H new ATOM 0 HE2 LYS A 16 -13.310 1.307 -5.611 1.00 71.30 H new ATOM 0 HE3 LYS A 16 -12.491 2.746 -6.186 1.00 71.30 H new ATOM 0 HZ1 LYS A 16 -11.214 0.625 -5.248 1.00 74.21 H new ATOM 0 HZ2 LYS A 16 -10.583 2.198 -5.141 1.00 74.21 H new ATOM 0 HZ3 LYS A 16 -11.361 1.503 -3.801 1.00 74.21 H new ATOM 244 N LYS A 17 -12.931 6.615 0.349 1.00 15.31 N ATOM 245 CA LYS A 17 -13.429 7.644 1.277 1.00 13.43 C ATOM 246 C LYS A 17 -12.357 8.731 1.460 1.00 13.30 C ATOM 247 O LYS A 17 -12.673 9.915 1.464 1.00 64.24 O ATOM 248 CB LYS A 17 -13.856 7.043 2.650 1.00 51.24 C ATOM 249 CG LYS A 17 -14.458 8.073 3.651 1.00 11.42 C ATOM 250 CD LYS A 17 -15.690 8.812 3.064 1.00 52.24 C ATOM 251 CE LYS A 17 -16.240 9.905 3.990 1.00 30.30 C ATOM 252 NZ LYS A 17 -17.350 10.657 3.346 1.00 4.13 N ATOM 0 H LYS A 17 -12.714 5.721 0.790 1.00 15.31 H new ATOM 0 HA LYS A 17 -14.324 8.088 0.842 1.00 13.43 H new ATOM 0 HB2 LYS A 17 -14.589 6.256 2.475 1.00 51.24 H new ATOM 0 HB3 LYS A 17 -12.988 6.573 3.112 1.00 51.24 H new ATOM 0 HG2 LYS A 17 -14.748 7.559 4.568 1.00 11.42 H new ATOM 0 HG3 LYS A 17 -13.695 8.802 3.922 1.00 11.42 H new ATOM 0 HD2 LYS A 17 -15.416 9.259 2.109 1.00 52.24 H new ATOM 0 HD3 LYS A 17 -16.478 8.086 2.862 1.00 52.24 H new ATOM 0 HE2 LYS A 17 -16.594 9.454 4.917 1.00 30.30 H new ATOM 0 HE3 LYS A 17 -15.439 10.594 4.257 1.00 30.30 H new ATOM 0 HZ1 LYS A 17 -17.755 11.330 4.028 1.00 4.13 H new ATOM 0 HZ2 LYS A 17 -16.985 11.176 2.522 1.00 4.13 H new ATOM 0 HZ3 LYS A 17 -18.087 9.991 3.038 1.00 4.13 H new ATOM 266 N ALA A 18 -11.085 8.304 1.577 1.00 12.11 N ATOM 267 CA ALA A 18 -9.942 9.229 1.682 1.00 14.40 C ATOM 268 C ALA A 18 -9.714 9.978 0.355 1.00 14.14 C ATOM 269 O ALA A 18 -9.246 11.103 0.359 1.00 3.54 O ATOM 270 CB ALA A 18 -8.682 8.471 2.095 1.00 3.33 C ATOM 0 H ALA A 18 -10.823 7.318 1.601 1.00 12.11 H new ATOM 0 HA ALA A 18 -10.171 9.968 2.450 1.00 14.40 H new ATOM 0 HB1 ALA A 18 -7.846 9.167 2.168 1.00 3.33 H new ATOM 0 HB2 ALA A 18 -8.844 7.995 3.062 1.00 3.33 H new ATOM 0 HB3 ALA A 18 -8.455 7.709 1.349 1.00 3.33 H new ATOM 276 N GLU A 19 -10.050 9.327 -0.774 1.00 34.41 N ATOM 277 CA GLU A 19 -10.018 9.945 -2.117 1.00 2.35 C ATOM 278 C GLU A 19 -11.048 11.078 -2.187 1.00 12.21 C ATOM 279 O GLU A 19 -10.744 12.193 -2.616 1.00 15.54 O ATOM 280 CB GLU A 19 -10.335 8.881 -3.198 1.00 53.04 C ATOM 281 CG GLU A 19 -10.312 9.407 -4.650 1.00 53.44 C ATOM 282 CD GLU A 19 -10.956 8.437 -5.650 1.00 24.32 C ATOM 283 OE1 GLU A 19 -10.326 7.428 -6.003 1.00 34.24 O ATOM 284 OE2 GLU A 19 -12.101 8.679 -6.089 1.00 14.22 O ATOM 0 H GLU A 19 -10.353 8.353 -0.783 1.00 34.41 H new ATOM 0 HA GLU A 19 -9.023 10.350 -2.300 1.00 2.35 H new ATOM 0 HB2 GLU A 19 -9.615 8.068 -3.110 1.00 53.04 H new ATOM 0 HB3 GLU A 19 -11.319 8.459 -2.995 1.00 53.04 H new ATOM 0 HG2 GLU A 19 -10.834 10.363 -4.692 1.00 53.44 H new ATOM 0 HG3 GLU A 19 -9.280 9.594 -4.947 1.00 53.44 H new ATOM 291 N GLU A 20 -12.260 10.749 -1.717 1.00 44.52 N ATOM 292 CA GLU A 20 -13.404 11.656 -1.642 1.00 20.22 C ATOM 293 C GLU A 20 -13.075 12.862 -0.733 1.00 74.22 C ATOM 294 O GLU A 20 -13.413 14.005 -1.049 1.00 71.02 O ATOM 295 CB GLU A 20 -14.606 10.816 -1.115 1.00 50.33 C ATOM 296 CG GLU A 20 -16.004 11.446 -1.251 1.00 35.43 C ATOM 297 CD GLU A 20 -16.327 12.551 -0.223 1.00 62.11 C ATOM 298 OE1 GLU A 20 -16.420 12.242 0.982 1.00 51.20 O ATOM 299 OE2 GLU A 20 -16.495 13.724 -0.612 1.00 65.00 O ATOM 0 H GLU A 20 -12.473 9.814 -1.369 1.00 44.52 H new ATOM 0 HA GLU A 20 -13.653 12.078 -2.616 1.00 20.22 H new ATOM 0 HB2 GLU A 20 -14.611 9.862 -1.641 1.00 50.33 H new ATOM 0 HB3 GLU A 20 -14.432 10.598 -0.061 1.00 50.33 H new ATOM 0 HG2 GLU A 20 -16.101 11.864 -2.253 1.00 35.43 H new ATOM 0 HG3 GLU A 20 -16.751 10.658 -1.161 1.00 35.43 H new ATOM 306 N LEU A 21 -12.372 12.586 0.375 1.00 44.14 N ATOM 307 CA LEU A 21 -11.955 13.615 1.346 1.00 61.04 C ATOM 308 C LEU A 21 -10.658 14.338 0.902 1.00 73.02 C ATOM 309 O LEU A 21 -10.266 15.327 1.532 1.00 12.34 O ATOM 310 CB LEU A 21 -11.751 12.975 2.744 1.00 34.42 C ATOM 311 CG LEU A 21 -13.012 12.375 3.437 1.00 24.43 C ATOM 312 CD1 LEU A 21 -12.644 11.694 4.776 1.00 11.14 C ATOM 313 CD2 LEU A 21 -14.114 13.440 3.632 1.00 54.41 C ATOM 0 H LEU A 21 -12.075 11.643 0.626 1.00 44.14 H new ATOM 0 HA LEU A 21 -12.749 14.360 1.396 1.00 61.04 H new ATOM 0 HB2 LEU A 21 -11.007 12.184 2.649 1.00 34.42 H new ATOM 0 HB3 LEU A 21 -11.329 13.732 3.405 1.00 34.42 H new ATOM 0 HG LEU A 21 -13.415 11.609 2.775 1.00 24.43 H new ATOM 0 HD11 LEU A 21 -13.544 11.285 5.236 1.00 11.14 H new ATOM 0 HD12 LEU A 21 -11.933 10.889 4.591 1.00 11.14 H new ATOM 0 HD13 LEU A 21 -12.195 12.427 5.446 1.00 11.14 H new ATOM 0 HD21 LEU A 21 -14.977 12.985 4.118 1.00 54.41 H new ATOM 0 HD22 LEU A 21 -13.732 14.249 4.254 1.00 54.41 H new ATOM 0 HD23 LEU A 21 -14.411 13.838 2.662 1.00 54.41 H new ATOM 325 N ASN A 22 -9.995 13.816 -0.157 1.00 24.25 N ATOM 326 CA ASN A 22 -8.716 14.358 -0.698 1.00 2.51 C ATOM 327 C ASN A 22 -7.564 14.226 0.331 1.00 52.03 C ATOM 328 O ASN A 22 -6.579 14.974 0.306 1.00 24.50 O ATOM 329 CB ASN A 22 -8.902 15.818 -1.210 1.00 21.43 C ATOM 330 CG ASN A 22 -9.801 15.895 -2.450 1.00 62.55 C ATOM 331 OD1 ASN A 22 -9.319 15.901 -3.581 1.00 62.33 O ATOM 332 ND2 ASN A 22 -11.111 15.917 -2.252 1.00 32.40 N ATOM 0 H ASN A 22 -10.332 13.000 -0.667 1.00 24.25 H new ATOM 0 HA ASN A 22 -8.427 13.756 -1.559 1.00 2.51 H new ATOM 0 HB2 ASN A 22 -9.332 16.426 -0.415 1.00 21.43 H new ATOM 0 HB3 ASN A 22 -7.927 16.244 -1.445 1.00 21.43 H new ATOM 0 HD21 ASN A 22 -11.747 15.940 -3.049 1.00 32.40 H new ATOM 0 HD22 ASN A 22 -11.483 15.911 -1.302 1.00 32.40 H new ATOM 339 N GLN A 23 -7.712 13.225 1.208 1.00 12.20 N ATOM 340 CA GLN A 23 -6.701 12.788 2.177 1.00 41.14 C ATOM 341 C GLN A 23 -5.735 11.811 1.474 1.00 75.31 C ATOM 342 O GLN A 23 -6.015 10.604 1.398 1.00 65.31 O ATOM 343 CB GLN A 23 -7.407 12.078 3.370 1.00 55.54 C ATOM 344 CG GLN A 23 -8.465 12.917 4.128 1.00 61.43 C ATOM 345 CD GLN A 23 -7.900 13.931 5.125 1.00 54.14 C ATOM 346 OE1 GLN A 23 -6.789 14.433 4.977 1.00 1.21 O ATOM 347 NE2 GLN A 23 -8.689 14.251 6.138 1.00 35.34 N ATOM 0 H GLN A 23 -8.571 12.678 1.264 1.00 12.20 H new ATOM 0 HA GLN A 23 -6.142 13.644 2.556 1.00 41.14 H new ATOM 0 HB2 GLN A 23 -7.888 11.174 2.996 1.00 55.54 H new ATOM 0 HB3 GLN A 23 -6.645 11.762 4.082 1.00 55.54 H new ATOM 0 HG2 GLN A 23 -9.074 13.450 3.398 1.00 61.43 H new ATOM 0 HG3 GLN A 23 -9.129 12.238 4.662 1.00 61.43 H new ATOM 0 HE21 GLN A 23 -9.606 13.813 6.228 1.00 35.34 H new ATOM 0 HE22 GLN A 23 -8.380 14.936 6.828 1.00 35.34 H new ATOM 356 N GLY A 24 -4.640 12.349 0.915 1.00 20.45 N ATOM 357 CA GLY A 24 -3.685 11.554 0.144 1.00 75.12 C ATOM 358 C GLY A 24 -3.018 10.462 0.973 1.00 61.32 C ATOM 359 O GLY A 24 -3.049 9.293 0.600 1.00 51.11 O ATOM 0 H GLY A 24 -4.397 13.337 0.986 1.00 20.45 H new ATOM 0 HA2 GLY A 24 -4.199 11.098 -0.702 1.00 75.12 H new ATOM 0 HA3 GLY A 24 -2.918 12.212 -0.265 1.00 75.12 H new ATOM 363 N GLU A 25 -2.452 10.864 2.121 1.00 62.41 N ATOM 364 CA GLU A 25 -1.729 9.972 3.056 1.00 3.41 C ATOM 365 C GLU A 25 -2.572 8.742 3.463 1.00 52.54 C ATOM 366 O GLU A 25 -2.053 7.629 3.499 1.00 42.10 O ATOM 367 CB GLU A 25 -1.288 10.787 4.307 1.00 31.25 C ATOM 368 CG GLU A 25 -2.411 11.652 4.907 1.00 3.51 C ATOM 369 CD GLU A 25 -2.010 12.394 6.189 1.00 44.14 C ATOM 370 OE1 GLU A 25 -1.353 13.451 6.095 1.00 2.25 O ATOM 371 OE2 GLU A 25 -2.357 11.928 7.300 1.00 62.13 O ATOM 0 H GLU A 25 -2.481 11.834 2.436 1.00 62.41 H new ATOM 0 HA GLU A 25 -0.848 9.584 2.545 1.00 3.41 H new ATOM 0 HB2 GLU A 25 -0.925 10.098 5.070 1.00 31.25 H new ATOM 0 HB3 GLU A 25 -0.451 11.430 4.035 1.00 31.25 H new ATOM 0 HG2 GLU A 25 -2.731 12.381 4.163 1.00 3.51 H new ATOM 0 HG3 GLU A 25 -3.270 11.016 5.121 1.00 3.51 H new ATOM 378 N LEU A 26 -3.880 8.958 3.705 1.00 1.52 N ATOM 379 CA LEU A 26 -4.812 7.882 4.085 1.00 25.13 C ATOM 380 C LEU A 26 -5.068 6.905 2.917 1.00 62.35 C ATOM 381 O LEU A 26 -5.266 5.707 3.144 1.00 22.23 O ATOM 382 CB LEU A 26 -6.122 8.460 4.660 1.00 23.23 C ATOM 383 CG LEU A 26 -5.996 9.033 6.121 1.00 74.31 C ATOM 384 CD1 LEU A 26 -5.676 10.535 6.160 1.00 21.33 C ATOM 385 CD2 LEU A 26 -7.232 8.699 6.960 1.00 60.45 C ATOM 0 H LEU A 26 -4.316 9.878 3.643 1.00 1.52 H new ATOM 0 HA LEU A 26 -4.341 7.300 4.877 1.00 25.13 H new ATOM 0 HB2 LEU A 26 -6.474 9.254 4.001 1.00 23.23 H new ATOM 0 HB3 LEU A 26 -6.883 7.679 4.654 1.00 23.23 H new ATOM 0 HG LEU A 26 -5.137 8.533 6.569 1.00 74.31 H new ATOM 0 HD11 LEU A 26 -5.603 10.865 7.196 1.00 21.33 H new ATOM 0 HD12 LEU A 26 -4.729 10.718 5.653 1.00 21.33 H new ATOM 0 HD13 LEU A 26 -6.469 11.089 5.658 1.00 21.33 H new ATOM 0 HD21 LEU A 26 -7.113 9.109 7.963 1.00 60.45 H new ATOM 0 HD22 LEU A 26 -8.116 9.133 6.494 1.00 60.45 H new ATOM 0 HD23 LEU A 26 -7.348 7.617 7.022 1.00 60.45 H new ATOM 397 N MET A 27 -5.040 7.427 1.678 1.00 2.21 N ATOM 398 CA MET A 27 -5.107 6.590 0.457 1.00 15.24 C ATOM 399 C MET A 27 -3.836 5.734 0.313 1.00 13.34 C ATOM 400 O MET A 27 -3.908 4.559 -0.064 1.00 43.11 O ATOM 401 CB MET A 27 -5.284 7.452 -0.821 1.00 55.23 C ATOM 402 CG MET A 27 -6.650 8.120 -0.970 1.00 1.43 C ATOM 403 SD MET A 27 -6.930 8.743 -2.641 1.00 43.43 S ATOM 404 CE MET A 27 -5.532 9.831 -2.852 1.00 63.51 C ATOM 0 H MET A 27 -4.971 8.427 1.491 1.00 2.21 H new ATOM 0 HA MET A 27 -5.977 5.942 0.564 1.00 15.24 H new ATOM 0 HB2 MET A 27 -4.516 8.226 -0.827 1.00 55.23 H new ATOM 0 HB3 MET A 27 -5.109 6.821 -1.693 1.00 55.23 H new ATOM 0 HG2 MET A 27 -7.432 7.404 -0.716 1.00 1.43 H new ATOM 0 HG3 MET A 27 -6.729 8.943 -0.260 1.00 1.43 H new ATOM 0 HE1 MET A 27 -5.553 10.260 -3.854 1.00 63.51 H new ATOM 0 HE2 MET A 27 -5.579 10.631 -2.113 1.00 63.51 H new ATOM 0 HE3 MET A 27 -4.609 9.267 -2.718 1.00 63.51 H new ATOM 414 N GLY A 28 -2.678 6.357 0.608 1.00 54.21 N ATOM 415 CA GLY A 28 -1.382 5.687 0.540 1.00 34.31 C ATOM 416 C GLY A 28 -1.293 4.502 1.493 1.00 41.34 C ATOM 417 O GLY A 28 -0.695 3.475 1.156 1.00 33.31 O ATOM 0 H GLY A 28 -2.624 7.333 0.898 1.00 54.21 H new ATOM 0 HA2 GLY A 28 -1.206 5.344 -0.480 1.00 34.31 H new ATOM 0 HA3 GLY A 28 -0.593 6.401 0.777 1.00 34.31 H new ATOM 421 N ARG A 29 -1.902 4.657 2.698 1.00 14.24 N ATOM 422 CA ARG A 29 -1.969 3.584 3.717 1.00 45.52 C ATOM 423 C ARG A 29 -2.687 2.364 3.139 1.00 43.43 C ATOM 424 O ARG A 29 -2.217 1.246 3.266 1.00 1.14 O ATOM 425 CB ARG A 29 -2.755 4.026 4.977 1.00 42.22 C ATOM 426 CG ARG A 29 -2.297 5.317 5.665 1.00 51.44 C ATOM 427 CD ARG A 29 -3.252 5.710 6.816 1.00 61.33 C ATOM 428 NE ARG A 29 -4.674 5.484 6.457 1.00 63.13 N ATOM 429 CZ ARG A 29 -5.707 5.523 7.303 1.00 60.02 C ATOM 430 NH1 ARG A 29 -5.537 5.799 8.593 1.00 11.14 N ATOM 431 NH2 ARG A 29 -6.926 5.269 6.843 1.00 23.05 N ATOM 0 H ARG A 29 -2.356 5.524 2.986 1.00 14.24 H new ATOM 0 HA ARG A 29 -0.941 3.350 3.996 1.00 45.52 H new ATOM 0 HB2 ARG A 29 -3.802 4.143 4.699 1.00 42.22 H new ATOM 0 HB3 ARG A 29 -2.707 3.218 5.707 1.00 42.22 H new ATOM 0 HG2 ARG A 29 -1.288 5.185 6.056 1.00 51.44 H new ATOM 0 HG3 ARG A 29 -2.253 6.125 4.935 1.00 51.44 H new ATOM 0 HD2 ARG A 29 -3.006 5.131 7.706 1.00 61.33 H new ATOM 0 HD3 ARG A 29 -3.104 6.760 7.068 1.00 61.33 H new ATOM 0 HE ARG A 29 -4.881 5.281 5.479 1.00 63.13 H new ATOM 0 HH11 ARG A 29 -4.602 5.987 8.956 1.00 11.14 H new ATOM 0 HH12 ARG A 29 -6.341 5.823 9.220 1.00 11.14 H new ATOM 0 HH21 ARG A 29 -7.063 5.048 5.857 1.00 23.05 H new ATOM 0 HH22 ARG A 29 -7.726 5.295 7.476 1.00 23.05 H new ATOM 445 N ALA A 30 -3.842 2.643 2.499 1.00 3.43 N ATOM 446 CA ALA A 30 -4.727 1.627 1.920 1.00 10.42 C ATOM 447 C ALA A 30 -3.989 0.779 0.880 1.00 24.24 C ATOM 448 O ALA A 30 -4.056 -0.436 0.936 1.00 3.12 O ATOM 449 CB ALA A 30 -5.956 2.303 1.306 1.00 32.14 C ATOM 0 H ALA A 30 -4.185 3.595 2.372 1.00 3.43 H new ATOM 0 HA ALA A 30 -5.054 0.955 2.713 1.00 10.42 H new ATOM 0 HB1 ALA A 30 -6.612 1.545 0.877 1.00 32.14 H new ATOM 0 HB2 ALA A 30 -6.494 2.852 2.079 1.00 32.14 H new ATOM 0 HB3 ALA A 30 -5.639 2.994 0.524 1.00 32.14 H new ATOM 455 N LEU A 31 -3.247 1.450 -0.024 1.00 34.15 N ATOM 456 CA LEU A 31 -2.447 0.784 -1.072 1.00 24.30 C ATOM 457 C LEU A 31 -1.343 -0.097 -0.457 1.00 1.43 C ATOM 458 O LEU A 31 -1.130 -1.226 -0.892 1.00 61.43 O ATOM 459 CB LEU A 31 -1.829 1.847 -2.009 1.00 41.14 C ATOM 460 CG LEU A 31 -2.858 2.722 -2.780 1.00 70.42 C ATOM 461 CD1 LEU A 31 -2.177 3.924 -3.457 1.00 63.14 C ATOM 462 CD2 LEU A 31 -3.648 1.872 -3.804 1.00 1.11 C ATOM 0 H LEU A 31 -3.185 2.468 -0.048 1.00 34.15 H new ATOM 0 HA LEU A 31 -3.106 0.134 -1.648 1.00 24.30 H new ATOM 0 HB2 LEU A 31 -1.188 2.502 -1.418 1.00 41.14 H new ATOM 0 HB3 LEU A 31 -1.189 1.343 -2.733 1.00 41.14 H new ATOM 0 HG LEU A 31 -3.569 3.118 -2.055 1.00 70.42 H new ATOM 0 HD11 LEU A 31 -2.924 4.515 -3.987 1.00 63.14 H new ATOM 0 HD12 LEU A 31 -1.695 4.543 -2.700 1.00 63.14 H new ATOM 0 HD13 LEU A 31 -1.428 3.567 -4.164 1.00 63.14 H new ATOM 0 HD21 LEU A 31 -4.361 2.506 -4.330 1.00 1.11 H new ATOM 0 HD22 LEU A 31 -2.956 1.431 -4.522 1.00 1.11 H new ATOM 0 HD23 LEU A 31 -4.184 1.079 -3.282 1.00 1.11 H new ATOM 474 N TYR A 32 -0.680 0.443 0.584 1.00 1.25 N ATOM 475 CA TYR A 32 0.382 -0.251 1.336 1.00 43.03 C ATOM 476 C TYR A 32 -0.167 -1.531 2.000 1.00 10.30 C ATOM 477 O TYR A 32 0.452 -2.588 1.932 1.00 45.50 O ATOM 478 CB TYR A 32 0.976 0.716 2.405 1.00 5.04 C ATOM 479 CG TYR A 32 2.028 0.096 3.339 1.00 41.34 C ATOM 480 CD1 TYR A 32 3.235 -0.390 2.838 1.00 13.05 C ATOM 481 CD2 TYR A 32 1.812 -0.009 4.718 1.00 64.45 C ATOM 482 CE1 TYR A 32 4.182 -0.948 3.669 1.00 12.20 C ATOM 483 CE2 TYR A 32 2.762 -0.566 5.549 1.00 51.44 C ATOM 484 CZ TYR A 32 3.941 -1.035 5.020 1.00 41.52 C ATOM 485 OH TYR A 32 4.887 -1.596 5.853 1.00 52.21 O ATOM 0 H TYR A 32 -0.869 1.384 0.930 1.00 1.25 H new ATOM 0 HA TYR A 32 1.172 -0.548 0.647 1.00 43.03 H new ATOM 0 HB2 TYR A 32 1.425 1.566 1.892 1.00 5.04 H new ATOM 0 HB3 TYR A 32 0.159 1.106 3.013 1.00 5.04 H new ATOM 0 HD1 TYR A 32 3.432 -0.328 1.778 1.00 13.05 H new ATOM 0 HD2 TYR A 32 0.885 0.352 5.139 1.00 64.45 H new ATOM 0 HE1 TYR A 32 5.111 -1.316 3.260 1.00 12.20 H new ATOM 0 HE2 TYR A 32 2.580 -0.633 6.611 1.00 51.44 H new ATOM 0 HH TYR A 32 5.395 -2.274 5.361 1.00 52.21 H new ATOM 495 N ASN A 33 -1.359 -1.405 2.600 1.00 72.15 N ATOM 496 CA ASN A 33 -2.000 -2.479 3.380 1.00 5.43 C ATOM 497 C ASN A 33 -2.556 -3.582 2.465 1.00 43.04 C ATOM 498 O ASN A 33 -2.444 -4.762 2.786 1.00 60.21 O ATOM 499 CB ASN A 33 -3.109 -1.873 4.277 1.00 75.31 C ATOM 500 CG ASN A 33 -2.590 -1.060 5.479 1.00 1.43 C ATOM 501 OD1 ASN A 33 -3.268 -0.972 6.504 1.00 41.42 O ATOM 502 ND2 ASN A 33 -1.411 -0.442 5.381 1.00 2.13 N ATOM 0 H ASN A 33 -1.912 -0.549 2.559 1.00 72.15 H new ATOM 0 HA ASN A 33 -1.250 -2.948 4.017 1.00 5.43 H new ATOM 0 HB2 ASN A 33 -3.741 -1.229 3.665 1.00 75.31 H new ATOM 0 HB3 ASN A 33 -3.740 -2.681 4.647 1.00 75.31 H new ATOM 0 HD21 ASN A 33 -1.060 0.113 6.161 1.00 2.13 H new ATOM 0 HD22 ASN A 33 -0.861 -0.525 4.526 1.00 2.13 H new ATOM 509 N ILE A 34 -3.135 -3.172 1.317 1.00 43.30 N ATOM 510 CA ILE A 34 -3.580 -4.096 0.251 1.00 4.23 C ATOM 511 C ILE A 34 -2.364 -4.847 -0.325 1.00 62.13 C ATOM 512 O ILE A 34 -2.460 -6.026 -0.689 1.00 41.21 O ATOM 513 CB ILE A 34 -4.351 -3.324 -0.897 1.00 74.40 C ATOM 514 CG1 ILE A 34 -5.685 -2.723 -0.348 1.00 61.11 C ATOM 515 CG2 ILE A 34 -4.624 -4.220 -2.135 1.00 74.14 C ATOM 516 CD1 ILE A 34 -6.411 -1.797 -1.311 1.00 71.24 C ATOM 0 H ILE A 34 -3.308 -2.190 1.102 1.00 43.30 H new ATOM 0 HA ILE A 34 -4.274 -4.815 0.686 1.00 4.23 H new ATOM 0 HB ILE A 34 -3.704 -2.513 -1.230 1.00 74.40 H new ATOM 0 HG12 ILE A 34 -6.353 -3.542 -0.080 1.00 61.11 H new ATOM 0 HG13 ILE A 34 -5.470 -2.174 0.569 1.00 61.11 H new ATOM 0 HG21 ILE A 34 -5.155 -3.643 -2.892 1.00 74.14 H new ATOM 0 HG22 ILE A 34 -3.678 -4.573 -2.545 1.00 74.14 H new ATOM 0 HG23 ILE A 34 -5.232 -5.075 -1.839 1.00 74.14 H new ATOM 0 HD11 ILE A 34 -7.324 -1.429 -0.843 1.00 71.24 H new ATOM 0 HD12 ILE A 34 -5.767 -0.954 -1.561 1.00 71.24 H new ATOM 0 HD13 ILE A 34 -6.663 -2.343 -2.220 1.00 71.24 H new ATOM 528 N GLY A 35 -1.224 -4.130 -0.395 1.00 23.25 N ATOM 529 CA GLY A 35 0.054 -4.714 -0.761 1.00 71.40 C ATOM 530 C GLY A 35 0.480 -5.808 0.208 1.00 70.34 C ATOM 531 O GLY A 35 0.959 -6.853 -0.210 1.00 70.14 O ATOM 0 H GLY A 35 -1.178 -3.131 -0.197 1.00 23.25 H new ATOM 0 HA2 GLY A 35 -0.011 -5.127 -1.768 1.00 71.40 H new ATOM 0 HA3 GLY A 35 0.815 -3.934 -0.785 1.00 71.40 H new ATOM 535 N LEU A 36 0.278 -5.554 1.516 1.00 30.11 N ATOM 536 CA LEU A 36 0.586 -6.524 2.587 1.00 73.03 C ATOM 537 C LEU A 36 -0.319 -7.768 2.481 1.00 64.42 C ATOM 538 O LEU A 36 0.117 -8.879 2.798 1.00 43.55 O ATOM 539 CB LEU A 36 0.449 -5.853 3.982 1.00 21.11 C ATOM 540 CG LEU A 36 1.413 -4.650 4.260 1.00 42.21 C ATOM 541 CD1 LEU A 36 1.067 -3.948 5.589 1.00 15.12 C ATOM 542 CD2 LEU A 36 2.897 -5.093 4.234 1.00 11.24 C ATOM 0 H LEU A 36 -0.103 -4.672 1.860 1.00 30.11 H new ATOM 0 HA LEU A 36 1.618 -6.853 2.466 1.00 73.03 H new ATOM 0 HB2 LEU A 36 -0.578 -5.505 4.097 1.00 21.11 H new ATOM 0 HB3 LEU A 36 0.616 -6.612 4.747 1.00 21.11 H new ATOM 0 HG LEU A 36 1.270 -3.928 3.456 1.00 42.21 H new ATOM 0 HD11 LEU A 36 1.755 -3.118 5.752 1.00 15.12 H new ATOM 0 HD12 LEU A 36 0.046 -3.570 5.546 1.00 15.12 H new ATOM 0 HD13 LEU A 36 1.156 -4.659 6.410 1.00 15.12 H new ATOM 0 HD21 LEU A 36 3.537 -4.233 4.431 1.00 11.24 H new ATOM 0 HD22 LEU A 36 3.064 -5.852 4.999 1.00 11.24 H new ATOM 0 HD23 LEU A 36 3.136 -5.507 3.254 1.00 11.24 H new ATOM 554 N GLU A 37 -1.573 -7.564 2.019 1.00 71.11 N ATOM 555 CA GLU A 37 -2.538 -8.661 1.806 1.00 54.42 C ATOM 556 C GLU A 37 -2.097 -9.557 0.644 1.00 2.32 C ATOM 557 O GLU A 37 -2.207 -10.780 0.712 1.00 44.34 O ATOM 558 CB GLU A 37 -3.968 -8.121 1.548 1.00 61.21 C ATOM 559 CG GLU A 37 -4.530 -7.186 2.636 1.00 44.43 C ATOM 560 CD GLU A 37 -4.283 -7.696 4.067 1.00 10.43 C ATOM 561 OE1 GLU A 37 -4.847 -8.741 4.447 1.00 22.25 O ATOM 562 OE2 GLU A 37 -3.507 -7.069 4.817 1.00 64.41 O ATOM 0 H GLU A 37 -1.940 -6.642 1.786 1.00 71.11 H new ATOM 0 HA GLU A 37 -2.560 -9.254 2.720 1.00 54.42 H new ATOM 0 HB2 GLU A 37 -3.970 -7.587 0.598 1.00 61.21 H new ATOM 0 HB3 GLU A 37 -4.644 -8.969 1.438 1.00 61.21 H new ATOM 0 HG2 GLU A 37 -4.078 -6.200 2.526 1.00 44.43 H new ATOM 0 HG3 GLU A 37 -5.602 -7.064 2.482 1.00 44.43 H new ATOM 569 N LYS A 38 -1.595 -8.928 -0.427 1.00 1.42 N ATOM 570 CA LYS A 38 -1.018 -9.641 -1.579 1.00 12.15 C ATOM 571 C LYS A 38 0.271 -10.383 -1.160 1.00 20.11 C ATOM 572 O LYS A 38 0.503 -11.529 -1.558 1.00 3.10 O ATOM 573 CB LYS A 38 -0.712 -8.628 -2.709 1.00 71.14 C ATOM 574 CG LYS A 38 -1.946 -7.937 -3.316 1.00 10.42 C ATOM 575 CD LYS A 38 -2.868 -8.921 -4.071 1.00 34.20 C ATOM 576 CE LYS A 38 -4.071 -8.222 -4.707 1.00 0.35 C ATOM 577 NZ LYS A 38 -4.871 -9.156 -5.534 1.00 64.21 N ATOM 0 H LYS A 38 -1.576 -7.913 -0.521 1.00 1.42 H new ATOM 0 HA LYS A 38 -1.735 -10.378 -1.941 1.00 12.15 H new ATOM 0 HB2 LYS A 38 -0.041 -7.863 -2.318 1.00 71.14 H new ATOM 0 HB3 LYS A 38 -0.176 -9.145 -3.505 1.00 71.14 H new ATOM 0 HG2 LYS A 38 -2.513 -7.451 -2.522 1.00 10.42 H new ATOM 0 HG3 LYS A 38 -1.619 -7.154 -4.000 1.00 10.42 H new ATOM 0 HD2 LYS A 38 -2.295 -9.429 -4.846 1.00 34.20 H new ATOM 0 HD3 LYS A 38 -3.220 -9.687 -3.380 1.00 34.20 H new ATOM 0 HE2 LYS A 38 -4.701 -7.797 -3.925 1.00 0.35 H new ATOM 0 HE3 LYS A 38 -3.726 -7.393 -5.325 1.00 0.35 H new ATOM 0 HZ1 LYS A 38 -5.846 -8.803 -5.612 1.00 64.21 H new ATOM 0 HZ2 LYS A 38 -4.451 -9.226 -6.483 1.00 64.21 H new ATOM 0 HZ3 LYS A 38 -4.878 -10.096 -5.088 1.00 64.21 H new ATOM 591 N ASN A 39 1.060 -9.708 -0.309 1.00 3.42 N ATOM 592 CA ASN A 39 2.391 -10.155 0.143 1.00 74.25 C ATOM 593 C ASN A 39 2.288 -11.457 0.974 1.00 20.45 C ATOM 594 O ASN A 39 3.105 -12.372 0.810 1.00 4.02 O ATOM 595 CB ASN A 39 3.055 -8.997 0.958 1.00 15.40 C ATOM 596 CG ASN A 39 4.559 -9.145 1.215 1.00 13.02 C ATOM 597 OD1 ASN A 39 5.082 -10.243 1.329 1.00 44.01 O ATOM 598 ND2 ASN A 39 5.260 -8.021 1.323 1.00 51.41 N ATOM 0 H ASN A 39 0.784 -8.813 0.095 1.00 3.42 H new ATOM 0 HA ASN A 39 3.016 -10.387 -0.719 1.00 74.25 H new ATOM 0 HB2 ASN A 39 2.886 -8.060 0.427 1.00 15.40 H new ATOM 0 HB3 ASN A 39 2.547 -8.915 1.919 1.00 15.40 H new ATOM 0 HD21 ASN A 39 6.263 -8.061 1.506 1.00 51.41 H new ATOM 0 HD22 ASN A 39 4.795 -7.119 1.223 1.00 51.41 H new ATOM 605 N LYS A 40 1.259 -11.534 1.842 1.00 52.23 N ATOM 606 CA LYS A 40 1.026 -12.711 2.713 1.00 24.14 C ATOM 607 C LYS A 40 0.436 -13.909 1.925 1.00 62.22 C ATOM 608 O LYS A 40 0.539 -15.054 2.371 1.00 20.44 O ATOM 609 CB LYS A 40 0.099 -12.336 3.908 1.00 3.14 C ATOM 610 CG LYS A 40 -1.368 -12.021 3.533 1.00 63.25 C ATOM 611 CD LYS A 40 -2.213 -11.476 4.712 1.00 23.40 C ATOM 612 CE LYS A 40 -1.697 -10.125 5.245 1.00 2.13 C ATOM 613 NZ LYS A 40 -2.600 -9.535 6.265 1.00 74.10 N ATOM 0 H LYS A 40 0.570 -10.791 1.961 1.00 52.23 H new ATOM 0 HA LYS A 40 1.996 -13.021 3.103 1.00 24.14 H new ATOM 0 HB2 LYS A 40 0.105 -13.158 4.623 1.00 3.14 H new ATOM 0 HB3 LYS A 40 0.521 -11.469 4.416 1.00 3.14 H new ATOM 0 HG2 LYS A 40 -1.377 -11.291 2.724 1.00 63.25 H new ATOM 0 HG3 LYS A 40 -1.838 -12.927 3.150 1.00 63.25 H new ATOM 0 HD2 LYS A 40 -3.248 -11.362 4.389 1.00 23.40 H new ATOM 0 HD3 LYS A 40 -2.211 -12.205 5.522 1.00 23.40 H new ATOM 0 HE2 LYS A 40 -0.706 -10.263 5.678 1.00 2.13 H new ATOM 0 HE3 LYS A 40 -1.588 -9.428 4.414 1.00 2.13 H new ATOM 0 HZ1 LYS A 40 -2.255 -8.590 6.530 1.00 74.10 H new ATOM 0 HZ2 LYS A 40 -3.560 -9.455 5.874 1.00 74.10 H new ATOM 0 HZ3 LYS A 40 -2.618 -10.145 7.107 1.00 74.10 H new ATOM 627 N MET A 41 -0.190 -13.626 0.762 1.00 52.43 N ATOM 628 CA MET A 41 -0.824 -14.663 -0.089 1.00 44.11 C ATOM 629 C MET A 41 0.159 -15.256 -1.111 1.00 72.00 C ATOM 630 O MET A 41 -0.221 -16.143 -1.888 1.00 72.40 O ATOM 631 CB MET A 41 -2.051 -14.073 -0.840 1.00 51.34 C ATOM 632 CG MET A 41 -3.239 -13.729 0.057 1.00 72.34 C ATOM 633 SD MET A 41 -4.734 -13.302 -0.869 1.00 3.25 S ATOM 634 CE MET A 41 -4.208 -11.883 -1.826 1.00 13.23 C ATOM 0 H MET A 41 -0.271 -12.681 0.387 1.00 52.43 H new ATOM 0 HA MET A 41 -1.145 -15.465 0.576 1.00 44.11 H new ATOM 0 HB2 MET A 41 -1.739 -13.172 -1.369 1.00 51.34 H new ATOM 0 HB3 MET A 41 -2.377 -14.789 -1.595 1.00 51.34 H new ATOM 0 HG2 MET A 41 -3.452 -14.578 0.707 1.00 72.34 H new ATOM 0 HG3 MET A 41 -2.968 -12.893 0.702 1.00 72.34 H new ATOM 0 HE1 MET A 41 -4.921 -11.702 -2.631 1.00 13.23 H new ATOM 0 HE2 MET A 41 -4.160 -11.006 -1.180 1.00 13.23 H new ATOM 0 HE3 MET A 41 -3.223 -12.075 -2.251 1.00 13.23 H new ATOM 644 N GLY A 42 1.403 -14.749 -1.132 1.00 4.54 N ATOM 645 CA GLY A 42 2.389 -15.149 -2.135 1.00 42.13 C ATOM 646 C GLY A 42 2.191 -14.445 -3.470 1.00 52.25 C ATOM 647 O GLY A 42 2.937 -14.696 -4.422 1.00 14.31 O ATOM 0 H GLY A 42 1.745 -14.060 -0.462 1.00 4.54 H new ATOM 0 HA2 GLY A 42 3.390 -14.933 -1.760 1.00 42.13 H new ATOM 0 HA3 GLY A 42 2.331 -16.227 -2.286 1.00 42.13 H new ATOM 651 N LYS A 43 1.200 -13.528 -3.525 1.00 4.20 N ATOM 652 CA LYS A 43 0.913 -12.695 -4.704 1.00 23.04 C ATOM 653 C LYS A 43 1.685 -11.378 -4.555 1.00 0.44 C ATOM 654 O LYS A 43 1.163 -10.277 -4.771 1.00 1.21 O ATOM 655 CB LYS A 43 -0.612 -12.453 -4.788 1.00 0.32 C ATOM 656 CG LYS A 43 -1.448 -13.745 -4.887 1.00 75.02 C ATOM 657 CD LYS A 43 -2.958 -13.461 -5.057 1.00 41.22 C ATOM 658 CE LYS A 43 -3.795 -14.740 -5.221 1.00 24.33 C ATOM 659 NZ LYS A 43 -5.216 -14.450 -5.549 1.00 21.15 N ATOM 0 H LYS A 43 0.573 -13.347 -2.741 1.00 4.20 H new ATOM 0 HA LYS A 43 1.227 -13.185 -5.625 1.00 23.04 H new ATOM 0 HB2 LYS A 43 -0.930 -11.894 -3.908 1.00 0.32 H new ATOM 0 HB3 LYS A 43 -0.823 -11.829 -5.656 1.00 0.32 H new ATOM 0 HG2 LYS A 43 -1.096 -14.338 -5.731 1.00 75.02 H new ATOM 0 HG3 LYS A 43 -1.293 -14.344 -3.990 1.00 75.02 H new ATOM 0 HD2 LYS A 43 -3.318 -12.907 -4.190 1.00 41.22 H new ATOM 0 HD3 LYS A 43 -3.106 -12.822 -5.928 1.00 41.22 H new ATOM 0 HE2 LYS A 43 -3.362 -15.356 -6.009 1.00 24.33 H new ATOM 0 HE3 LYS A 43 -3.749 -15.322 -4.300 1.00 24.33 H new ATOM 0 HZ1 LYS A 43 -5.738 -15.344 -5.649 1.00 21.15 H new ATOM 0 HZ2 LYS A 43 -5.640 -13.885 -4.786 1.00 21.15 H new ATOM 0 HZ3 LYS A 43 -5.265 -13.918 -6.441 1.00 21.15 H new ATOM 673 N VAL A 44 2.978 -11.543 -4.281 1.00 31.31 N ATOM 674 CA VAL A 44 3.917 -10.458 -3.959 1.00 22.12 C ATOM 675 C VAL A 44 4.216 -9.613 -5.216 1.00 2.21 C ATOM 676 O VAL A 44 4.632 -8.454 -5.140 1.00 40.42 O ATOM 677 CB VAL A 44 5.237 -11.048 -3.347 1.00 42.23 C ATOM 678 CG1 VAL A 44 6.159 -9.939 -2.820 1.00 31.54 C ATOM 679 CG2 VAL A 44 4.927 -12.077 -2.232 1.00 60.31 C ATOM 0 H VAL A 44 3.420 -12.462 -4.276 1.00 31.31 H new ATOM 0 HA VAL A 44 3.460 -9.804 -3.216 1.00 22.12 H new ATOM 0 HB VAL A 44 5.762 -11.565 -4.150 1.00 42.23 H new ATOM 0 HG11 VAL A 44 7.063 -10.384 -2.404 1.00 31.54 H new ATOM 0 HG12 VAL A 44 6.428 -9.270 -3.638 1.00 31.54 H new ATOM 0 HG13 VAL A 44 5.642 -9.374 -2.044 1.00 31.54 H new ATOM 0 HG21 VAL A 44 5.861 -12.468 -1.828 1.00 60.31 H new ATOM 0 HG22 VAL A 44 4.362 -11.592 -1.436 1.00 60.31 H new ATOM 0 HG23 VAL A 44 4.340 -12.897 -2.646 1.00 60.31 H new ATOM 689 N LYS A 45 3.984 -10.248 -6.366 1.00 14.12 N ATOM 690 CA LYS A 45 4.180 -9.675 -7.698 1.00 51.51 C ATOM 691 C LYS A 45 3.236 -8.457 -7.897 1.00 51.33 C ATOM 692 O LYS A 45 3.617 -7.456 -8.506 1.00 13.22 O ATOM 693 CB LYS A 45 3.935 -10.768 -8.791 1.00 43.15 C ATOM 694 CG LYS A 45 4.829 -12.050 -8.670 1.00 23.33 C ATOM 695 CD LYS A 45 4.387 -13.037 -7.545 1.00 30.44 C ATOM 696 CE LYS A 45 5.306 -14.266 -7.397 1.00 71.34 C ATOM 697 NZ LYS A 45 6.715 -13.907 -7.055 1.00 24.34 N ATOM 0 H LYS A 45 3.643 -11.209 -6.396 1.00 14.12 H new ATOM 0 HA LYS A 45 5.208 -9.325 -7.794 1.00 51.51 H new ATOM 0 HB2 LYS A 45 2.888 -11.070 -8.751 1.00 43.15 H new ATOM 0 HB3 LYS A 45 4.100 -10.321 -9.771 1.00 43.15 H new ATOM 0 HG2 LYS A 45 4.819 -12.577 -9.624 1.00 23.33 H new ATOM 0 HG3 LYS A 45 5.859 -11.744 -8.485 1.00 23.33 H new ATOM 0 HD2 LYS A 45 4.357 -12.501 -6.596 1.00 30.44 H new ATOM 0 HD3 LYS A 45 3.372 -13.377 -7.751 1.00 30.44 H new ATOM 0 HE2 LYS A 45 4.906 -14.920 -6.622 1.00 71.34 H new ATOM 0 HE3 LYS A 45 5.298 -14.833 -8.328 1.00 71.34 H new ATOM 0 HZ1 LYS A 45 7.275 -14.775 -6.936 1.00 24.34 H new ATOM 0 HZ2 LYS A 45 7.123 -13.334 -7.821 1.00 24.34 H new ATOM 0 HZ3 LYS A 45 6.729 -13.362 -6.170 1.00 24.34 H new ATOM 711 N GLU A 46 2.006 -8.570 -7.341 1.00 23.35 N ATOM 712 CA GLU A 46 1.015 -7.467 -7.292 1.00 70.55 C ATOM 713 C GLU A 46 1.373 -6.481 -6.162 1.00 2.23 C ATOM 714 O GLU A 46 1.241 -5.262 -6.321 1.00 62.12 O ATOM 715 CB GLU A 46 -0.414 -8.033 -7.055 1.00 35.12 C ATOM 716 CG GLU A 46 -0.878 -9.042 -8.121 1.00 41.33 C ATOM 717 CD GLU A 46 -2.231 -9.688 -7.785 1.00 54.13 C ATOM 718 OE1 GLU A 46 -3.286 -9.097 -8.096 1.00 62.32 O ATOM 719 OE2 GLU A 46 -2.252 -10.771 -7.177 1.00 74.01 O ATOM 0 H GLU A 46 1.671 -9.433 -6.912 1.00 23.35 H new ATOM 0 HA GLU A 46 1.036 -6.943 -8.247 1.00 70.55 H new ATOM 0 HB2 GLU A 46 -0.444 -8.514 -6.078 1.00 35.12 H new ATOM 0 HB3 GLU A 46 -1.121 -7.204 -7.024 1.00 35.12 H new ATOM 0 HG2 GLU A 46 -0.952 -8.537 -9.084 1.00 41.33 H new ATOM 0 HG3 GLU A 46 -0.125 -9.823 -8.227 1.00 41.33 H new ATOM 726 N ALA A 47 1.839 -7.051 -5.019 1.00 32.32 N ATOM 727 CA ALA A 47 2.179 -6.301 -3.790 1.00 32.13 C ATOM 728 C ALA A 47 3.198 -5.182 -4.044 1.00 32.32 C ATOM 729 O ALA A 47 3.062 -4.096 -3.485 1.00 23.35 O ATOM 730 CB ALA A 47 2.716 -7.257 -2.716 1.00 1.11 C ATOM 0 H ALA A 47 1.989 -8.056 -4.929 1.00 32.32 H new ATOM 0 HA ALA A 47 1.259 -5.831 -3.442 1.00 32.13 H new ATOM 0 HB1 ALA A 47 2.962 -6.692 -1.817 1.00 1.11 H new ATOM 0 HB2 ALA A 47 1.957 -8.002 -2.480 1.00 1.11 H new ATOM 0 HB3 ALA A 47 3.611 -7.756 -3.088 1.00 1.11 H new ATOM 736 N ILE A 48 4.200 -5.481 -4.899 1.00 3.35 N ATOM 737 CA ILE A 48 5.240 -4.528 -5.329 1.00 3.11 C ATOM 738 C ILE A 48 4.600 -3.244 -5.875 1.00 44.12 C ATOM 739 O ILE A 48 4.889 -2.157 -5.382 1.00 42.53 O ATOM 740 CB ILE A 48 6.176 -5.185 -6.418 1.00 14.42 C ATOM 741 CG1 ILE A 48 7.018 -6.336 -5.786 1.00 14.40 C ATOM 742 CG2 ILE A 48 7.092 -4.142 -7.118 1.00 40.24 C ATOM 743 CD1 ILE A 48 7.924 -7.061 -6.761 1.00 62.03 C ATOM 0 H ILE A 48 4.308 -6.406 -5.315 1.00 3.35 H new ATOM 0 HA ILE A 48 5.848 -4.268 -4.463 1.00 3.11 H new ATOM 0 HB ILE A 48 5.532 -5.604 -7.192 1.00 14.42 H new ATOM 0 HG12 ILE A 48 7.627 -5.924 -4.981 1.00 14.40 H new ATOM 0 HG13 ILE A 48 6.339 -7.059 -5.334 1.00 14.40 H new ATOM 0 HG21 ILE A 48 7.716 -4.644 -7.858 1.00 40.24 H new ATOM 0 HG22 ILE A 48 6.476 -3.391 -7.612 1.00 40.24 H new ATOM 0 HG23 ILE A 48 7.727 -3.659 -6.375 1.00 40.24 H new ATOM 0 HD11 ILE A 48 8.471 -7.844 -6.236 1.00 62.03 H new ATOM 0 HD12 ILE A 48 7.323 -7.507 -7.553 1.00 62.03 H new ATOM 0 HD13 ILE A 48 8.631 -6.354 -7.196 1.00 62.03 H new ATOM 755 N GLU A 49 3.678 -3.414 -6.839 1.00 60.03 N ATOM 756 CA GLU A 49 2.983 -2.300 -7.508 1.00 42.13 C ATOM 757 C GLU A 49 2.165 -1.468 -6.506 1.00 73.20 C ATOM 758 O GLU A 49 2.115 -0.246 -6.616 1.00 53.23 O ATOM 759 CB GLU A 49 2.077 -2.846 -8.632 1.00 4.41 C ATOM 760 CG GLU A 49 2.839 -3.595 -9.742 1.00 54.24 C ATOM 761 CD GLU A 49 1.904 -4.180 -10.806 1.00 23.41 C ATOM 762 OE1 GLU A 49 1.141 -3.400 -11.425 1.00 62.20 O ATOM 763 OE2 GLU A 49 1.894 -5.412 -11.012 1.00 51.43 O ATOM 0 H GLU A 49 3.393 -4.333 -7.178 1.00 60.03 H new ATOM 0 HA GLU A 49 3.733 -1.641 -7.945 1.00 42.13 H new ATOM 0 HB2 GLU A 49 1.338 -3.518 -8.195 1.00 4.41 H new ATOM 0 HB3 GLU A 49 1.529 -2.016 -9.078 1.00 4.41 H new ATOM 0 HG2 GLU A 49 3.544 -2.913 -10.218 1.00 54.24 H new ATOM 0 HG3 GLU A 49 3.425 -4.399 -9.297 1.00 54.24 H new ATOM 770 N TYR A 50 1.567 -2.147 -5.513 1.00 62.25 N ATOM 771 CA TYR A 50 0.793 -1.495 -4.445 1.00 3.52 C ATOM 772 C TYR A 50 1.692 -0.667 -3.512 1.00 24.31 C ATOM 773 O TYR A 50 1.294 0.417 -3.083 1.00 1.11 O ATOM 774 CB TYR A 50 -0.004 -2.543 -3.639 1.00 40.11 C ATOM 775 CG TYR A 50 -1.296 -2.997 -4.329 1.00 65.14 C ATOM 776 CD1 TYR A 50 -2.379 -2.119 -4.440 1.00 41.41 C ATOM 777 CD2 TYR A 50 -1.438 -4.282 -4.862 1.00 34.40 C ATOM 778 CE1 TYR A 50 -3.549 -2.505 -5.057 1.00 60.15 C ATOM 779 CE2 TYR A 50 -2.610 -4.673 -5.486 1.00 43.14 C ATOM 780 CZ TYR A 50 -3.663 -3.783 -5.577 1.00 53.25 C ATOM 781 OH TYR A 50 -4.838 -4.164 -6.189 1.00 23.43 O ATOM 0 H TYR A 50 1.607 -3.163 -5.429 1.00 62.25 H new ATOM 0 HA TYR A 50 0.093 -0.808 -4.920 1.00 3.52 H new ATOM 0 HB2 TYR A 50 0.629 -3.413 -3.464 1.00 40.11 H new ATOM 0 HB3 TYR A 50 -0.251 -2.127 -2.662 1.00 40.11 H new ATOM 0 HD1 TYR A 50 -2.297 -1.121 -4.035 1.00 41.41 H new ATOM 0 HD2 TYR A 50 -0.619 -4.982 -4.785 1.00 34.40 H new ATOM 0 HE1 TYR A 50 -4.374 -1.813 -5.135 1.00 60.15 H new ATOM 0 HE2 TYR A 50 -2.701 -5.667 -5.899 1.00 43.14 H new ATOM 0 HH TYR A 50 -4.759 -5.089 -6.502 1.00 23.43 H new ATOM 791 N PHE A 51 2.899 -1.186 -3.208 1.00 74.53 N ATOM 792 CA PHE A 51 3.892 -0.472 -2.380 1.00 62.24 C ATOM 793 C PHE A 51 4.519 0.691 -3.177 1.00 51.24 C ATOM 794 O PHE A 51 4.961 1.673 -2.589 1.00 15.45 O ATOM 795 CB PHE A 51 5.024 -1.410 -1.899 1.00 60.22 C ATOM 796 CG PHE A 51 4.619 -2.605 -1.042 1.00 54.21 C ATOM 797 CD1 PHE A 51 3.640 -2.494 -0.057 1.00 51.42 C ATOM 798 CD2 PHE A 51 5.253 -3.842 -1.208 1.00 2.12 C ATOM 799 CE1 PHE A 51 3.305 -3.580 0.727 1.00 13.10 C ATOM 800 CE2 PHE A 51 4.912 -4.927 -0.426 1.00 35.41 C ATOM 801 CZ PHE A 51 3.936 -4.796 0.541 1.00 23.51 C ATOM 0 H PHE A 51 3.211 -2.104 -3.526 1.00 74.53 H new ATOM 0 HA PHE A 51 3.362 -0.089 -1.508 1.00 62.24 H new ATOM 0 HB2 PHE A 51 5.548 -1.786 -2.778 1.00 60.22 H new ATOM 0 HB3 PHE A 51 5.739 -0.814 -1.332 1.00 60.22 H new ATOM 0 HD1 PHE A 51 3.138 -1.550 0.095 1.00 51.42 H new ATOM 0 HD2 PHE A 51 6.021 -3.949 -1.960 1.00 2.12 H new ATOM 0 HE1 PHE A 51 2.546 -3.479 1.489 1.00 13.10 H new ATOM 0 HE2 PHE A 51 5.407 -5.876 -0.570 1.00 35.41 H new ATOM 0 HZ PHE A 51 3.665 -5.644 1.153 1.00 23.51 H new ATOM 811 N LEU A 52 4.575 0.534 -4.518 1.00 13.22 N ATOM 812 CA LEU A 52 5.119 1.554 -5.439 1.00 44.23 C ATOM 813 C LEU A 52 4.180 2.766 -5.495 1.00 53.14 C ATOM 814 O LEU A 52 4.632 3.918 -5.442 1.00 3.21 O ATOM 815 CB LEU A 52 5.321 0.967 -6.867 1.00 45.34 C ATOM 816 CG LEU A 52 6.497 -0.041 -7.041 1.00 21.04 C ATOM 817 CD1 LEU A 52 6.480 -0.682 -8.442 1.00 13.44 C ATOM 818 CD2 LEU A 52 7.855 0.634 -6.765 1.00 43.31 C ATOM 0 H LEU A 52 4.243 -0.306 -4.992 1.00 13.22 H new ATOM 0 HA LEU A 52 6.091 1.871 -5.061 1.00 44.23 H new ATOM 0 HB2 LEU A 52 4.398 0.470 -7.166 1.00 45.34 H new ATOM 0 HB3 LEU A 52 5.476 1.795 -7.558 1.00 45.34 H new ATOM 0 HG LEU A 52 6.360 -0.835 -6.307 1.00 21.04 H new ATOM 0 HD11 LEU A 52 7.312 -1.380 -8.533 1.00 13.44 H new ATOM 0 HD12 LEU A 52 5.541 -1.216 -8.586 1.00 13.44 H new ATOM 0 HD13 LEU A 52 6.575 0.096 -9.199 1.00 13.44 H new ATOM 0 HD21 LEU A 52 8.656 -0.094 -6.894 1.00 43.31 H new ATOM 0 HD22 LEU A 52 7.999 1.460 -7.462 1.00 43.31 H new ATOM 0 HD23 LEU A 52 7.871 1.014 -5.744 1.00 43.31 H new ATOM 830 N ARG A 53 2.869 2.474 -5.611 1.00 51.20 N ATOM 831 CA ARG A 53 1.812 3.492 -5.589 1.00 2.40 C ATOM 832 C ARG A 53 1.779 4.175 -4.217 1.00 43.14 C ATOM 833 O ARG A 53 1.812 5.399 -4.140 1.00 72.10 O ATOM 834 CB ARG A 53 0.427 2.867 -5.903 1.00 62.22 C ATOM 835 CG ARG A 53 0.276 2.306 -7.330 1.00 62.31 C ATOM 836 CD ARG A 53 -1.154 1.823 -7.614 1.00 43.43 C ATOM 837 NE ARG A 53 -2.135 2.914 -7.442 1.00 44.53 N ATOM 838 CZ ARG A 53 -3.467 2.776 -7.459 1.00 62.00 C ATOM 839 NH1 ARG A 53 -4.041 1.592 -7.636 1.00 64.41 N ATOM 840 NH2 ARG A 53 -4.224 3.839 -7.271 1.00 52.04 N ATOM 0 H ARG A 53 2.518 1.523 -5.723 1.00 51.20 H new ATOM 0 HA ARG A 53 2.032 4.231 -6.359 1.00 2.40 H new ATOM 0 HB2 ARG A 53 0.237 2.064 -5.191 1.00 62.22 H new ATOM 0 HB3 ARG A 53 -0.341 3.623 -5.743 1.00 62.22 H new ATOM 0 HG2 ARG A 53 0.548 3.076 -8.052 1.00 62.31 H new ATOM 0 HG3 ARG A 53 0.972 1.479 -7.469 1.00 62.31 H new ATOM 0 HD2 ARG A 53 -1.213 1.435 -8.631 1.00 43.43 H new ATOM 0 HD3 ARG A 53 -1.402 1.000 -6.944 1.00 43.43 H new ATOM 0 HE ARG A 53 -1.766 3.854 -7.298 1.00 44.53 H new ATOM 0 HH11 ARG A 53 -3.465 0.760 -7.763 1.00 64.41 H new ATOM 0 HH12 ARG A 53 -5.058 1.514 -7.645 1.00 64.41 H new ATOM 0 HH21 ARG A 53 -3.794 4.751 -7.115 1.00 52.04 H new ATOM 0 HH22 ARG A 53 -5.240 3.750 -7.281 1.00 52.04 H new ATOM 854 N ALA A 54 1.769 3.342 -3.153 1.00 72.01 N ATOM 855 CA ALA A 54 1.706 3.796 -1.754 1.00 52.04 C ATOM 856 C ALA A 54 2.843 4.772 -1.430 1.00 32.11 C ATOM 857 O ALA A 54 2.592 5.860 -0.920 1.00 64.43 O ATOM 858 CB ALA A 54 1.761 2.593 -0.807 1.00 64.35 C ATOM 0 H ALA A 54 1.805 2.327 -3.247 1.00 72.01 H new ATOM 0 HA ALA A 54 0.762 4.322 -1.615 1.00 52.04 H new ATOM 0 HB1 ALA A 54 1.714 2.940 0.225 1.00 64.35 H new ATOM 0 HB2 ALA A 54 0.917 1.934 -1.007 1.00 64.35 H new ATOM 0 HB3 ALA A 54 2.692 2.048 -0.964 1.00 64.35 H new ATOM 864 N LYS A 55 4.077 4.373 -1.792 1.00 4.41 N ATOM 865 CA LYS A 55 5.292 5.156 -1.531 1.00 22.24 C ATOM 866 C LYS A 55 5.264 6.485 -2.302 1.00 62.31 C ATOM 867 O LYS A 55 5.726 7.502 -1.792 1.00 2.15 O ATOM 868 CB LYS A 55 6.556 4.348 -1.923 1.00 42.15 C ATOM 869 CG LYS A 55 7.884 5.034 -1.534 1.00 15.43 C ATOM 870 CD LYS A 55 9.125 4.269 -2.037 1.00 75.04 C ATOM 871 CE LYS A 55 10.438 4.935 -1.595 1.00 73.41 C ATOM 872 NZ LYS A 55 10.563 6.332 -2.079 1.00 72.35 N ATOM 0 H LYS A 55 4.256 3.493 -2.276 1.00 4.41 H new ATOM 0 HA LYS A 55 5.327 5.373 -0.463 1.00 22.24 H new ATOM 0 HB2 LYS A 55 6.511 3.369 -1.446 1.00 42.15 H new ATOM 0 HB3 LYS A 55 6.548 4.179 -3.000 1.00 42.15 H new ATOM 0 HG2 LYS A 55 7.897 6.045 -1.941 1.00 15.43 H new ATOM 0 HG3 LYS A 55 7.935 5.126 -0.449 1.00 15.43 H new ATOM 0 HD2 LYS A 55 9.095 3.246 -1.663 1.00 75.04 H new ATOM 0 HD3 LYS A 55 9.097 4.211 -3.125 1.00 75.04 H new ATOM 0 HE2 LYS A 55 10.497 4.925 -0.507 1.00 73.41 H new ATOM 0 HE3 LYS A 55 11.280 4.350 -1.965 1.00 73.41 H new ATOM 0 HZ1 LYS A 55 11.512 6.693 -1.856 1.00 72.35 H new ATOM 0 HZ2 LYS A 55 10.416 6.357 -3.108 1.00 72.35 H new ATOM 0 HZ3 LYS A 55 9.848 6.926 -1.613 1.00 72.35 H new ATOM 886 N LYS A 56 4.711 6.450 -3.533 1.00 15.24 N ATOM 887 CA LYS A 56 4.582 7.641 -4.392 1.00 4.23 C ATOM 888 C LYS A 56 3.604 8.664 -3.777 1.00 14.24 C ATOM 889 O LYS A 56 3.841 9.877 -3.836 1.00 75.00 O ATOM 890 CB LYS A 56 4.091 7.244 -5.811 1.00 71.45 C ATOM 891 CG LYS A 56 4.047 8.422 -6.822 1.00 40.43 C ATOM 892 CD LYS A 56 3.051 8.203 -7.984 1.00 44.34 C ATOM 893 CE LYS A 56 1.595 8.070 -7.485 1.00 21.22 C ATOM 894 NZ LYS A 56 0.613 8.067 -8.602 1.00 5.34 N ATOM 0 H LYS A 56 4.343 5.598 -3.956 1.00 15.24 H new ATOM 0 HA LYS A 56 5.568 8.099 -4.469 1.00 4.23 H new ATOM 0 HB2 LYS A 56 4.745 6.466 -6.205 1.00 71.45 H new ATOM 0 HB3 LYS A 56 3.094 6.812 -5.730 1.00 71.45 H new ATOM 0 HG2 LYS A 56 3.778 9.335 -6.291 1.00 40.43 H new ATOM 0 HG3 LYS A 56 5.045 8.574 -7.234 1.00 40.43 H new ATOM 0 HD2 LYS A 56 3.120 9.038 -8.682 1.00 44.34 H new ATOM 0 HD3 LYS A 56 3.329 7.304 -8.534 1.00 44.34 H new ATOM 0 HE2 LYS A 56 1.493 7.149 -6.912 1.00 21.22 H new ATOM 0 HE3 LYS A 56 1.369 8.894 -6.808 1.00 21.22 H new ATOM 0 HZ1 LYS A 56 -0.349 7.976 -8.218 1.00 5.34 H new ATOM 0 HZ2 LYS A 56 0.690 8.957 -9.135 1.00 5.34 H new ATOM 0 HZ3 LYS A 56 0.810 7.266 -9.235 1.00 5.34 H new ATOM 908 N VAL A 57 2.508 8.147 -3.194 1.00 65.33 N ATOM 909 CA VAL A 57 1.475 8.972 -2.554 1.00 5.31 C ATOM 910 C VAL A 57 2.039 9.606 -1.267 1.00 23.25 C ATOM 911 O VAL A 57 1.913 10.812 -1.063 1.00 42.42 O ATOM 912 CB VAL A 57 0.177 8.135 -2.240 1.00 12.45 C ATOM 913 CG1 VAL A 57 -0.884 9.005 -1.541 1.00 42.22 C ATOM 914 CG2 VAL A 57 -0.411 7.509 -3.527 1.00 0.32 C ATOM 0 H VAL A 57 2.316 7.146 -3.155 1.00 65.33 H new ATOM 0 HA VAL A 57 1.190 9.763 -3.248 1.00 5.31 H new ATOM 0 HB VAL A 57 0.464 7.328 -1.566 1.00 12.45 H new ATOM 0 HG11 VAL A 57 -1.770 8.404 -1.335 1.00 42.22 H new ATOM 0 HG12 VAL A 57 -0.480 9.389 -0.604 1.00 42.22 H new ATOM 0 HG13 VAL A 57 -1.154 9.839 -2.188 1.00 42.22 H new ATOM 0 HG21 VAL A 57 -1.305 6.938 -3.278 1.00 0.32 H new ATOM 0 HG22 VAL A 57 -0.670 8.300 -4.231 1.00 0.32 H new ATOM 0 HG23 VAL A 57 0.327 6.848 -3.980 1.00 0.32 H new ATOM 924 N PHE A 58 2.694 8.769 -0.439 1.00 12.20 N ATOM 925 CA PHE A 58 3.396 9.207 0.788 1.00 2.20 C ATOM 926 C PHE A 58 4.541 10.193 0.475 1.00 72.52 C ATOM 927 O PHE A 58 4.872 11.039 1.301 1.00 42.11 O ATOM 928 CB PHE A 58 3.960 7.993 1.572 1.00 35.54 C ATOM 929 CG PHE A 58 2.922 7.137 2.302 1.00 21.55 C ATOM 930 CD1 PHE A 58 2.038 7.718 3.213 1.00 63.12 C ATOM 931 CD2 PHE A 58 2.865 5.753 2.122 1.00 14.04 C ATOM 932 CE1 PHE A 58 1.135 6.946 3.913 1.00 53.23 C ATOM 933 CE2 PHE A 58 1.969 4.983 2.829 1.00 15.10 C ATOM 934 CZ PHE A 58 1.104 5.583 3.724 1.00 71.41 C ATOM 0 H PHE A 58 2.753 7.764 -0.602 1.00 12.20 H new ATOM 0 HA PHE A 58 2.658 9.721 1.404 1.00 2.20 H new ATOM 0 HB2 PHE A 58 4.506 7.356 0.876 1.00 35.54 H new ATOM 0 HB3 PHE A 58 4.682 8.359 2.302 1.00 35.54 H new ATOM 0 HD1 PHE A 58 2.062 8.786 3.372 1.00 63.12 H new ATOM 0 HD2 PHE A 58 3.534 5.280 1.418 1.00 14.04 H new ATOM 0 HE1 PHE A 58 0.452 7.411 4.609 1.00 53.23 H new ATOM 0 HE2 PHE A 58 1.942 3.913 2.684 1.00 15.10 H new ATOM 0 HZ PHE A 58 0.400 4.980 4.278 1.00 71.41 H new ATOM 944 N ASP A 59 5.143 10.059 -0.723 1.00 72.22 N ATOM 945 CA ASP A 59 6.213 10.954 -1.206 1.00 32.13 C ATOM 946 C ASP A 59 5.648 12.357 -1.469 1.00 41.23 C ATOM 947 O ASP A 59 6.257 13.361 -1.095 1.00 40.11 O ATOM 948 CB ASP A 59 6.864 10.384 -2.496 1.00 33.03 C ATOM 949 CG ASP A 59 8.094 11.182 -2.962 1.00 73.33 C ATOM 950 OD1 ASP A 59 9.209 10.891 -2.478 1.00 52.52 O ATOM 951 OD2 ASP A 59 7.955 12.088 -3.810 1.00 21.34 O ATOM 0 H ASP A 59 4.899 9.323 -1.386 1.00 72.22 H new ATOM 0 HA ASP A 59 6.982 11.022 -0.436 1.00 32.13 H new ATOM 0 HB2 ASP A 59 7.157 9.349 -2.320 1.00 33.03 H new ATOM 0 HB3 ASP A 59 6.122 10.374 -3.295 1.00 33.03 H new ATOM 956 N ALA A 60 4.469 12.403 -2.107 1.00 54.00 N ATOM 957 CA ALA A 60 3.767 13.661 -2.415 1.00 42.23 C ATOM 958 C ALA A 60 3.251 14.348 -1.136 1.00 32.02 C ATOM 959 O ALA A 60 3.286 15.577 -1.018 1.00 73.31 O ATOM 960 CB ALA A 60 2.610 13.384 -3.377 1.00 1.15 C ATOM 0 H ALA A 60 3.974 11.570 -2.425 1.00 54.00 H new ATOM 0 HA ALA A 60 4.476 14.340 -2.888 1.00 42.23 H new ATOM 0 HB1 ALA A 60 2.093 14.317 -3.603 1.00 1.15 H new ATOM 0 HB2 ALA A 60 2.999 12.953 -4.299 1.00 1.15 H new ATOM 0 HB3 ALA A 60 1.912 12.685 -2.915 1.00 1.15 H new ATOM 966 N GLU A 61 2.785 13.525 -0.181 1.00 5.12 N ATOM 967 CA GLU A 61 2.312 13.989 1.138 1.00 35.20 C ATOM 968 C GLU A 61 3.494 14.318 2.065 1.00 34.02 C ATOM 969 O GLU A 61 3.303 14.937 3.118 1.00 42.43 O ATOM 970 CB GLU A 61 1.434 12.893 1.797 1.00 60.54 C ATOM 971 CG GLU A 61 0.170 12.522 1.004 1.00 12.01 C ATOM 972 CD GLU A 61 -0.863 13.663 0.921 1.00 0.12 C ATOM 973 OE1 GLU A 61 -1.694 13.801 1.851 1.00 5.21 O ATOM 974 OE2 GLU A 61 -0.858 14.419 -0.075 1.00 41.41 O ATOM 0 H GLU A 61 2.725 12.514 -0.301 1.00 5.12 H new ATOM 0 HA GLU A 61 1.725 14.895 0.988 1.00 35.20 H new ATOM 0 HB2 GLU A 61 2.038 11.996 1.933 1.00 60.54 H new ATOM 0 HB3 GLU A 61 1.138 13.232 2.790 1.00 60.54 H new ATOM 0 HG2 GLU A 61 0.458 12.229 -0.006 1.00 12.01 H new ATOM 0 HG3 GLU A 61 -0.297 11.653 1.467 1.00 12.01 H new ATOM 981 N HIS A 62 4.711 13.871 1.660 1.00 2.31 N ATOM 982 CA HIS A 62 5.953 14.017 2.441 1.00 61.41 C ATOM 983 C HIS A 62 5.837 13.307 3.814 1.00 33.42 C ATOM 984 O HIS A 62 6.482 13.696 4.791 1.00 33.32 O ATOM 985 CB HIS A 62 6.359 15.518 2.569 1.00 33.11 C ATOM 986 CG HIS A 62 6.525 16.204 1.235 1.00 1.21 C ATOM 987 ND1 HIS A 62 5.801 17.313 0.856 1.00 22.11 N ATOM 988 CD2 HIS A 62 7.353 15.938 0.197 1.00 54.53 C ATOM 989 CE1 HIS A 62 6.156 17.676 -0.362 1.00 41.45 C ATOM 990 NE2 HIS A 62 7.100 16.858 -0.777 1.00 5.14 N ATOM 0 H HIS A 62 4.852 13.394 0.770 1.00 2.31 H new ATOM 0 HA HIS A 62 6.760 13.520 1.903 1.00 61.41 H new ATOM 0 HB2 HIS A 62 5.601 16.045 3.149 1.00 33.11 H new ATOM 0 HB3 HIS A 62 7.293 15.589 3.126 1.00 33.11 H new ATOM 0 HD2 HIS A 62 8.081 15.142 0.149 1.00 54.53 H new ATOM 0 HE1 HIS A 62 5.743 18.502 -0.922 1.00 41.45 H new ATOM 0 HE2 HIS A 62 7.567 16.905 -1.682 1.00 5.14 H new ATOM 999 N ASP A 63 5.022 12.233 3.846 1.00 32.42 N ATOM 1000 CA ASP A 63 4.846 11.361 5.015 1.00 13.51 C ATOM 1001 C ASP A 63 6.001 10.345 5.040 1.00 71.20 C ATOM 1002 O ASP A 63 6.014 9.388 4.251 1.00 21.13 O ATOM 1003 CB ASP A 63 3.469 10.646 4.964 1.00 34.45 C ATOM 1004 CG ASP A 63 3.216 9.736 6.183 1.00 33.42 C ATOM 1005 OD1 ASP A 63 2.730 10.236 7.219 1.00 70.25 O ATOM 1006 OD2 ASP A 63 3.523 8.524 6.122 1.00 52.30 O ATOM 0 H ASP A 63 4.460 11.946 3.044 1.00 32.42 H new ATOM 0 HA ASP A 63 4.865 11.954 5.929 1.00 13.51 H new ATOM 0 HB2 ASP A 63 2.679 11.395 4.907 1.00 34.45 H new ATOM 0 HB3 ASP A 63 3.409 10.049 4.054 1.00 34.45 H new ATOM 1011 N THR A 64 6.984 10.599 5.917 1.00 22.34 N ATOM 1012 CA THR A 64 8.240 9.837 5.974 1.00 15.12 C ATOM 1013 C THR A 64 8.025 8.369 6.382 1.00 5.35 C ATOM 1014 O THR A 64 8.622 7.471 5.783 1.00 54.41 O ATOM 1015 CB THR A 64 9.283 10.518 6.936 1.00 62.21 C ATOM 1016 OG1 THR A 64 10.467 9.711 7.052 1.00 11.41 O ATOM 1017 CG2 THR A 64 8.711 10.804 8.343 1.00 70.32 C ATOM 0 H THR A 64 6.929 11.344 6.611 1.00 22.34 H new ATOM 0 HA THR A 64 8.641 9.841 4.960 1.00 15.12 H new ATOM 0 HB THR A 64 9.531 11.479 6.485 1.00 62.21 H new ATOM 0 HG1 THR A 64 11.105 10.150 7.652 1.00 11.41 H new ATOM 0 HG21 THR A 64 9.478 11.274 8.959 1.00 70.32 H new ATOM 0 HG22 THR A 64 7.854 11.472 8.258 1.00 70.32 H new ATOM 0 HG23 THR A 64 8.397 9.868 8.805 1.00 70.32 H new ATOM 1025 N ASP A 65 7.158 8.139 7.380 1.00 25.31 N ATOM 1026 CA ASP A 65 6.997 6.815 8.012 1.00 72.04 C ATOM 1027 C ASP A 65 6.430 5.783 7.032 1.00 31.21 C ATOM 1028 O ASP A 65 6.974 4.681 6.899 1.00 61.50 O ATOM 1029 CB ASP A 65 6.104 6.931 9.270 1.00 23.34 C ATOM 1030 CG ASP A 65 6.736 7.822 10.349 1.00 73.21 C ATOM 1031 OD1 ASP A 65 7.640 7.348 11.065 1.00 21.35 O ATOM 1032 OD2 ASP A 65 6.350 9.002 10.478 1.00 34.11 O ATOM 0 H ASP A 65 6.551 8.859 7.772 1.00 25.31 H new ATOM 0 HA ASP A 65 7.984 6.464 8.312 1.00 72.04 H new ATOM 0 HB2 ASP A 65 5.133 7.338 8.988 1.00 23.34 H new ATOM 0 HB3 ASP A 65 5.926 5.937 9.680 1.00 23.34 H new ATOM 1037 N GLY A 66 5.357 6.169 6.333 1.00 4.31 N ATOM 1038 CA GLY A 66 4.708 5.296 5.364 1.00 24.21 C ATOM 1039 C GLY A 66 5.568 5.040 4.134 1.00 71.54 C ATOM 1040 O GLY A 66 5.605 3.915 3.635 1.00 44.32 O ATOM 0 H GLY A 66 4.922 7.087 6.425 1.00 4.31 H new ATOM 0 HA2 GLY A 66 4.470 4.345 5.840 1.00 24.21 H new ATOM 0 HA3 GLY A 66 3.763 5.743 5.055 1.00 24.21 H new ATOM 1044 N ALA A 67 6.249 6.097 3.651 1.00 41.14 N ATOM 1045 CA ALA A 67 7.113 6.031 2.456 1.00 43.03 C ATOM 1046 C ALA A 67 8.297 5.072 2.664 1.00 75.12 C ATOM 1047 O ALA A 67 8.624 4.270 1.776 1.00 53.31 O ATOM 1048 CB ALA A 67 7.620 7.435 2.109 1.00 43.40 C ATOM 0 H ALA A 67 6.216 7.022 4.079 1.00 41.14 H new ATOM 0 HA ALA A 67 6.519 5.643 1.629 1.00 43.03 H new ATOM 0 HB1 ALA A 67 8.258 7.384 1.226 1.00 43.40 H new ATOM 0 HB2 ALA A 67 6.771 8.088 1.906 1.00 43.40 H new ATOM 0 HB3 ALA A 67 8.192 7.833 2.947 1.00 43.40 H new ATOM 1054 N ARG A 68 8.919 5.165 3.854 1.00 14.52 N ATOM 1055 CA ARG A 68 10.070 4.330 4.230 1.00 73.33 C ATOM 1056 C ARG A 68 9.643 2.862 4.412 1.00 43.44 C ATOM 1057 O ARG A 68 10.354 1.956 3.967 1.00 54.03 O ATOM 1058 CB ARG A 68 10.760 4.875 5.515 1.00 54.13 C ATOM 1059 CG ARG A 68 11.483 6.231 5.324 1.00 13.52 C ATOM 1060 CD ARG A 68 12.147 6.747 6.620 1.00 32.34 C ATOM 1061 NE ARG A 68 13.215 5.848 7.105 1.00 34.14 N ATOM 1062 CZ ARG A 68 14.056 6.106 8.124 1.00 30.13 C ATOM 1063 NH1 ARG A 68 13.991 7.256 8.808 1.00 51.52 N ATOM 1064 NH2 ARG A 68 14.974 5.202 8.447 1.00 32.22 N ATOM 0 H ARG A 68 8.636 5.822 4.581 1.00 14.52 H new ATOM 0 HA ARG A 68 10.797 4.372 3.419 1.00 73.33 H new ATOM 0 HB2 ARG A 68 10.009 4.984 6.298 1.00 54.13 H new ATOM 0 HB3 ARG A 68 11.482 4.138 5.866 1.00 54.13 H new ATOM 0 HG2 ARG A 68 12.243 6.126 4.550 1.00 13.52 H new ATOM 0 HG3 ARG A 68 10.767 6.972 4.969 1.00 13.52 H new ATOM 0 HD2 ARG A 68 12.564 7.738 6.441 1.00 32.34 H new ATOM 0 HD3 ARG A 68 11.388 6.856 7.395 1.00 32.34 H new ATOM 0 HE ARG A 68 13.324 4.954 6.626 1.00 34.14 H new ATOM 0 HH11 ARG A 68 13.294 7.958 8.560 1.00 51.52 H new ATOM 0 HH12 ARG A 68 14.639 7.430 9.577 1.00 51.52 H new ATOM 0 HH21 ARG A 68 15.034 4.327 7.925 1.00 32.22 H new ATOM 0 HH22 ARG A 68 15.619 5.382 9.217 1.00 32.22 H new ATOM 1078 N ARG A 69 8.473 2.634 5.047 1.00 24.21 N ATOM 1079 CA ARG A 69 7.953 1.270 5.275 1.00 12.52 C ATOM 1080 C ARG A 69 7.482 0.617 3.966 1.00 61.41 C ATOM 1081 O ARG A 69 7.549 -0.603 3.835 1.00 15.41 O ATOM 1082 CB ARG A 69 6.811 1.242 6.321 1.00 60.23 C ATOM 1083 CG ARG A 69 7.253 1.578 7.762 1.00 23.32 C ATOM 1084 CD ARG A 69 6.246 1.081 8.815 1.00 45.15 C ATOM 1085 NE ARG A 69 4.874 1.579 8.569 1.00 14.52 N ATOM 1086 CZ ARG A 69 3.756 0.836 8.659 1.00 72.01 C ATOM 1087 NH1 ARG A 69 3.809 -0.456 8.979 1.00 64.34 N ATOM 1088 NH2 ARG A 69 2.576 1.398 8.401 1.00 34.24 N ATOM 0 H ARG A 69 7.873 3.375 5.409 1.00 24.21 H new ATOM 0 HA ARG A 69 8.786 0.691 5.673 1.00 12.52 H new ATOM 0 HB2 ARG A 69 6.040 1.950 6.017 1.00 60.23 H new ATOM 0 HB3 ARG A 69 6.355 0.252 6.316 1.00 60.23 H new ATOM 0 HG2 ARG A 69 8.227 1.129 7.954 1.00 23.32 H new ATOM 0 HG3 ARG A 69 7.374 2.657 7.860 1.00 23.32 H new ATOM 0 HD2 ARG A 69 6.238 -0.009 8.819 1.00 45.15 H new ATOM 0 HD3 ARG A 69 6.573 1.401 9.804 1.00 45.15 H new ATOM 0 HE ARG A 69 4.768 2.560 8.312 1.00 14.52 H new ATOM 0 HH11 ARG A 69 4.709 -0.900 9.161 1.00 64.34 H new ATOM 0 HH12 ARG A 69 2.949 -1.001 9.042 1.00 64.34 H new ATOM 0 HH21 ARG A 69 2.526 2.382 8.138 1.00 34.24 H new ATOM 0 HH22 ARG A 69 1.722 0.844 8.466 1.00 34.24 H new ATOM 1102 N ALA A 70 6.988 1.431 3.016 1.00 43.31 N ATOM 1103 CA ALA A 70 6.565 0.944 1.691 1.00 51.25 C ATOM 1104 C ALA A 70 7.778 0.416 0.914 1.00 5.00 C ATOM 1105 O ALA A 70 7.707 -0.639 0.282 1.00 72.11 O ATOM 1106 CB ALA A 70 5.837 2.052 0.915 1.00 31.44 C ATOM 0 H ALA A 70 6.871 2.436 3.143 1.00 43.31 H new ATOM 0 HA ALA A 70 5.863 0.121 1.822 1.00 51.25 H new ATOM 0 HB1 ALA A 70 5.533 1.673 -0.061 1.00 31.44 H new ATOM 0 HB2 ALA A 70 4.955 2.368 1.473 1.00 31.44 H new ATOM 0 HB3 ALA A 70 6.506 2.902 0.781 1.00 31.44 H new ATOM 1112 N ALA A 71 8.898 1.151 1.018 1.00 2.20 N ATOM 1113 CA ALA A 71 10.173 0.784 0.384 1.00 53.42 C ATOM 1114 C ALA A 71 10.877 -0.375 1.114 1.00 51.42 C ATOM 1115 O ALA A 71 11.639 -1.126 0.498 1.00 11.02 O ATOM 1116 CB ALA A 71 11.090 2.002 0.329 1.00 75.20 C ATOM 0 H ALA A 71 8.943 2.021 1.548 1.00 2.20 H new ATOM 0 HA ALA A 71 9.951 0.441 -0.626 1.00 53.42 H new ATOM 0 HB1 ALA A 71 12.034 1.726 -0.141 1.00 75.20 H new ATOM 0 HB2 ALA A 71 10.612 2.791 -0.252 1.00 75.20 H new ATOM 0 HB3 ALA A 71 11.280 2.360 1.341 1.00 75.20 H new ATOM 1122 N LYS A 72 10.632 -0.501 2.430 1.00 63.44 N ATOM 1123 CA LYS A 72 11.216 -1.574 3.256 1.00 31.32 C ATOM 1124 C LYS A 72 10.487 -2.900 2.975 1.00 23.22 C ATOM 1125 O LYS A 72 11.113 -3.964 2.871 1.00 15.25 O ATOM 1126 CB LYS A 72 11.129 -1.198 4.757 1.00 63.24 C ATOM 1127 CG LYS A 72 11.782 -2.223 5.708 1.00 33.32 C ATOM 1128 CD LYS A 72 11.753 -1.776 7.189 1.00 63.30 C ATOM 1129 CE LYS A 72 12.424 -2.794 8.129 1.00 54.21 C ATOM 1130 NZ LYS A 72 12.369 -2.364 9.551 1.00 61.03 N ATOM 0 H LYS A 72 10.027 0.135 2.950 1.00 63.44 H new ATOM 0 HA LYS A 72 12.268 -1.697 2.999 1.00 31.32 H new ATOM 0 HB2 LYS A 72 11.605 -0.229 4.905 1.00 63.24 H new ATOM 0 HB3 LYS A 72 10.080 -1.083 5.030 1.00 63.24 H new ATOM 0 HG2 LYS A 72 11.267 -3.179 5.612 1.00 33.32 H new ATOM 0 HG3 LYS A 72 12.816 -2.386 5.403 1.00 33.32 H new ATOM 0 HD2 LYS A 72 12.256 -0.813 7.284 1.00 63.30 H new ATOM 0 HD3 LYS A 72 10.719 -1.627 7.499 1.00 63.30 H new ATOM 0 HE2 LYS A 72 11.933 -3.762 8.024 1.00 54.21 H new ATOM 0 HE3 LYS A 72 13.464 -2.930 7.832 1.00 54.21 H new ATOM 0 HZ1 LYS A 72 12.832 -3.079 10.148 1.00 61.03 H new ATOM 0 HZ2 LYS A 72 12.860 -1.453 9.657 1.00 61.03 H new ATOM 0 HZ3 LYS A 72 11.377 -2.259 9.844 1.00 61.03 H new ATOM 1144 N SER A 73 9.156 -2.802 2.827 1.00 32.12 N ATOM 1145 CA SER A 73 8.306 -3.924 2.413 1.00 1.04 C ATOM 1146 C SER A 73 8.603 -4.313 0.950 1.00 31.41 C ATOM 1147 O SER A 73 8.461 -5.477 0.591 1.00 22.01 O ATOM 1148 CB SER A 73 6.815 -3.571 2.595 1.00 13.12 C ATOM 1149 OG SER A 73 6.519 -3.308 3.953 1.00 64.43 O ATOM 0 H SER A 73 8.640 -1.938 2.992 1.00 32.12 H new ATOM 0 HA SER A 73 8.531 -4.782 3.047 1.00 1.04 H new ATOM 0 HB2 SER A 73 6.567 -2.699 1.990 1.00 13.12 H new ATOM 0 HB3 SER A 73 6.196 -4.394 2.237 1.00 13.12 H new ATOM 0 HG SER A 73 6.919 -2.453 4.215 1.00 64.43 H new ATOM 1155 N LEU A 74 9.011 -3.312 0.123 1.00 51.43 N ATOM 1156 CA LEU A 74 9.510 -3.534 -1.255 1.00 3.22 C ATOM 1157 C LEU A 74 10.819 -4.330 -1.247 1.00 2.51 C ATOM 1158 O LEU A 74 10.984 -5.236 -2.053 1.00 0.55 O ATOM 1159 CB LEU A 74 9.715 -2.187 -2.021 1.00 51.31 C ATOM 1160 CG LEU A 74 8.455 -1.627 -2.730 1.00 70.30 C ATOM 1161 CD1 LEU A 74 8.675 -0.204 -3.273 1.00 61.13 C ATOM 1162 CD2 LEU A 74 7.997 -2.580 -3.853 1.00 35.15 C ATOM 0 H LEU A 74 9.002 -2.330 0.397 1.00 51.43 H new ATOM 0 HA LEU A 74 8.748 -4.112 -1.778 1.00 3.22 H new ATOM 0 HB2 LEU A 74 10.077 -1.439 -1.316 1.00 51.31 H new ATOM 0 HB3 LEU A 74 10.498 -2.328 -2.766 1.00 51.31 H new ATOM 0 HG LEU A 74 7.665 -1.562 -1.982 1.00 70.30 H new ATOM 0 HD11 LEU A 74 7.764 0.144 -3.761 1.00 61.13 H new ATOM 0 HD12 LEU A 74 8.924 0.465 -2.449 1.00 61.13 H new ATOM 0 HD13 LEU A 74 9.492 -0.212 -3.994 1.00 61.13 H new ATOM 0 HD21 LEU A 74 7.112 -2.170 -4.339 1.00 35.15 H new ATOM 0 HD22 LEU A 74 8.796 -2.689 -4.586 1.00 35.15 H new ATOM 0 HD23 LEU A 74 7.759 -3.555 -3.428 1.00 35.15 H new ATOM 1174 N SER A 75 11.733 -3.978 -0.326 1.00 72.15 N ATOM 1175 CA SER A 75 13.041 -4.643 -0.183 1.00 61.11 C ATOM 1176 C SER A 75 12.855 -6.158 0.071 1.00 1.33 C ATOM 1177 O SER A 75 13.547 -6.980 -0.535 1.00 33.31 O ATOM 1178 CB SER A 75 13.844 -3.969 0.960 1.00 34.50 C ATOM 1179 OG SER A 75 15.114 -4.576 1.149 1.00 34.53 O ATOM 0 H SER A 75 11.585 -3.222 0.343 1.00 72.15 H new ATOM 0 HA SER A 75 13.605 -4.535 -1.109 1.00 61.11 H new ATOM 0 HB2 SER A 75 13.978 -2.911 0.734 1.00 34.50 H new ATOM 0 HB3 SER A 75 13.273 -4.027 1.887 1.00 34.50 H new ATOM 0 HG SER A 75 15.589 -4.122 1.876 1.00 34.53 H new ATOM 1185 N GLU A 76 11.873 -6.498 0.928 1.00 0.05 N ATOM 1186 CA GLU A 76 11.489 -7.893 1.211 1.00 61.42 C ATOM 1187 C GLU A 76 10.718 -8.505 0.019 1.00 24.11 C ATOM 1188 O GLU A 76 10.904 -9.681 -0.315 1.00 42.05 O ATOM 1189 CB GLU A 76 10.625 -7.958 2.493 1.00 12.23 C ATOM 1190 CG GLU A 76 11.279 -7.316 3.734 1.00 24.22 C ATOM 1191 CD GLU A 76 10.439 -7.515 5.001 1.00 72.41 C ATOM 1192 OE1 GLU A 76 9.413 -6.814 5.154 1.00 54.35 O ATOM 1193 OE2 GLU A 76 10.772 -8.405 5.825 1.00 21.33 O ATOM 0 H GLU A 76 11.323 -5.811 1.444 1.00 0.05 H new ATOM 0 HA GLU A 76 12.399 -8.473 1.365 1.00 61.42 H new ATOM 0 HB2 GLU A 76 9.673 -7.462 2.301 1.00 12.23 H new ATOM 0 HB3 GLU A 76 10.402 -9.002 2.714 1.00 12.23 H new ATOM 0 HG2 GLU A 76 12.269 -7.747 3.885 1.00 24.22 H new ATOM 0 HG3 GLU A 76 11.420 -6.250 3.557 1.00 24.22 H new ATOM 1200 N ALA A 77 9.874 -7.672 -0.631 1.00 53.51 N ATOM 1201 CA ALA A 77 8.982 -8.098 -1.730 1.00 44.25 C ATOM 1202 C ALA A 77 9.776 -8.575 -2.955 1.00 43.01 C ATOM 1203 O ALA A 77 9.426 -9.574 -3.588 1.00 63.43 O ATOM 1204 CB ALA A 77 8.038 -6.949 -2.128 1.00 44.35 C ATOM 0 H ALA A 77 9.793 -6.680 -0.406 1.00 53.51 H new ATOM 0 HA ALA A 77 8.392 -8.940 -1.367 1.00 44.25 H new ATOM 0 HB1 ALA A 77 7.387 -7.277 -2.938 1.00 44.35 H new ATOM 0 HB2 ALA A 77 7.432 -6.662 -1.269 1.00 44.35 H new ATOM 0 HB3 ALA A 77 8.626 -6.093 -2.459 1.00 44.35 H new ATOM 1210 N TYR A 78 10.864 -7.847 -3.250 1.00 42.21 N ATOM 1211 CA TYR A 78 11.775 -8.143 -4.360 1.00 73.30 C ATOM 1212 C TYR A 78 12.543 -9.457 -4.115 1.00 62.23 C ATOM 1213 O TYR A 78 12.988 -10.087 -5.055 1.00 35.13 O ATOM 1214 CB TYR A 78 12.763 -6.960 -4.596 1.00 42.00 C ATOM 1215 CG TYR A 78 12.130 -5.718 -5.254 1.00 50.12 C ATOM 1216 CD1 TYR A 78 11.446 -5.827 -6.468 1.00 54.13 C ATOM 1217 CD2 TYR A 78 12.209 -4.447 -4.674 1.00 61.51 C ATOM 1218 CE1 TYR A 78 10.866 -4.729 -7.069 1.00 33.23 C ATOM 1219 CE2 TYR A 78 11.626 -3.345 -5.272 1.00 75.52 C ATOM 1220 CZ TYR A 78 10.955 -3.489 -6.468 1.00 3.11 C ATOM 1221 OH TYR A 78 10.373 -2.388 -7.061 1.00 11.42 O ATOM 0 H TYR A 78 11.137 -7.024 -2.714 1.00 42.21 H new ATOM 0 HA TYR A 78 11.174 -8.270 -5.260 1.00 73.30 H new ATOM 0 HB2 TYR A 78 13.195 -6.668 -3.639 1.00 42.00 H new ATOM 0 HB3 TYR A 78 13.584 -7.309 -5.223 1.00 42.00 H new ATOM 0 HD1 TYR A 78 11.370 -6.792 -6.946 1.00 54.13 H new ATOM 0 HD2 TYR A 78 12.736 -4.324 -3.740 1.00 61.51 H new ATOM 0 HE1 TYR A 78 10.343 -4.839 -8.008 1.00 33.23 H new ATOM 0 HE2 TYR A 78 11.696 -2.374 -4.804 1.00 75.52 H new ATOM 0 HH TYR A 78 10.529 -1.596 -6.505 1.00 11.42 H new ATOM 1231 N GLN A 79 12.698 -9.853 -2.839 1.00 45.24 N ATOM 1232 CA GLN A 79 13.364 -11.123 -2.465 1.00 63.31 C ATOM 1233 C GLN A 79 12.415 -12.324 -2.673 1.00 11.12 C ATOM 1234 O GLN A 79 12.858 -13.435 -2.978 1.00 10.43 O ATOM 1235 CB GLN A 79 13.856 -11.048 -1.000 1.00 54.50 C ATOM 1236 CG GLN A 79 14.877 -9.916 -0.758 1.00 60.41 C ATOM 1237 CD GLN A 79 15.261 -9.714 0.708 1.00 50.05 C ATOM 1238 OE1 GLN A 79 15.285 -10.657 1.499 1.00 52.01 O ATOM 1239 NE2 GLN A 79 15.548 -8.479 1.089 1.00 12.01 N ATOM 0 H GLN A 79 12.370 -9.310 -2.041 1.00 45.24 H new ATOM 0 HA GLN A 79 14.228 -11.271 -3.113 1.00 63.31 H new ATOM 0 HB2 GLN A 79 12.999 -10.902 -0.343 1.00 54.50 H new ATOM 0 HB3 GLN A 79 14.309 -12.001 -0.726 1.00 54.50 H new ATOM 0 HG2 GLN A 79 15.779 -10.129 -1.331 1.00 60.41 H new ATOM 0 HG3 GLN A 79 14.466 -8.984 -1.145 1.00 60.41 H new ATOM 0 HE21 GLN A 79 15.520 -7.717 0.412 1.00 12.01 H new ATOM 0 HE22 GLN A 79 15.797 -8.290 2.060 1.00 12.01 H new ATOM 1248 N LYS A 80 11.104 -12.076 -2.506 1.00 53.14 N ATOM 1249 CA LYS A 80 10.052 -13.098 -2.711 1.00 51.11 C ATOM 1250 C LYS A 80 9.749 -13.292 -4.213 1.00 70.03 C ATOM 1251 O LYS A 80 9.236 -14.342 -4.628 1.00 44.34 O ATOM 1252 CB LYS A 80 8.773 -12.668 -1.951 1.00 51.24 C ATOM 1253 CG LYS A 80 9.004 -12.399 -0.446 1.00 40.32 C ATOM 1254 CD LYS A 80 7.789 -11.727 0.227 1.00 63.01 C ATOM 1255 CE LYS A 80 8.043 -11.343 1.695 1.00 22.32 C ATOM 1256 NZ LYS A 80 8.268 -12.525 2.566 1.00 54.40 N ATOM 0 H LYS A 80 10.740 -11.165 -2.226 1.00 53.14 H new ATOM 0 HA LYS A 80 10.405 -14.053 -2.322 1.00 51.11 H new ATOM 0 HB2 LYS A 80 8.372 -11.767 -2.414 1.00 51.24 H new ATOM 0 HB3 LYS A 80 8.018 -13.446 -2.060 1.00 51.24 H new ATOM 0 HG2 LYS A 80 9.221 -13.340 0.059 1.00 40.32 H new ATOM 0 HG3 LYS A 80 9.881 -11.763 -0.324 1.00 40.32 H new ATOM 0 HD2 LYS A 80 7.520 -10.832 -0.334 1.00 63.01 H new ATOM 0 HD3 LYS A 80 6.935 -12.403 0.178 1.00 63.01 H new ATOM 0 HE2 LYS A 80 8.911 -10.686 1.749 1.00 22.32 H new ATOM 0 HE3 LYS A 80 7.191 -10.777 2.071 1.00 22.32 H new ATOM 0 HZ1 LYS A 80 8.434 -12.210 3.543 1.00 54.40 H new ATOM 0 HZ2 LYS A 80 7.430 -13.141 2.538 1.00 54.40 H new ATOM 0 HZ3 LYS A 80 9.097 -13.053 2.227 1.00 54.40 H new ATOM 1270 N VAL A 81 10.041 -12.248 -5.005 1.00 33.15 N ATOM 1271 CA VAL A 81 9.871 -12.254 -6.463 1.00 25.43 C ATOM 1272 C VAL A 81 11.192 -12.683 -7.139 1.00 0.22 C ATOM 1273 O VAL A 81 11.257 -13.785 -7.685 1.00 10.04 O ATOM 1274 CB VAL A 81 9.344 -10.852 -6.945 1.00 65.22 C ATOM 1275 CG1 VAL A 81 9.314 -10.715 -8.484 1.00 31.32 C ATOM 1276 CG2 VAL A 81 7.932 -10.597 -6.350 1.00 11.33 C ATOM 0 H VAL A 81 10.406 -11.366 -4.644 1.00 33.15 H new ATOM 0 HA VAL A 81 9.118 -12.985 -6.758 1.00 25.43 H new ATOM 0 HB VAL A 81 10.044 -10.099 -6.583 1.00 65.22 H new ATOM 0 HG11 VAL A 81 8.942 -9.727 -8.754 1.00 31.32 H new ATOM 0 HG12 VAL A 81 10.321 -10.844 -8.880 1.00 31.32 H new ATOM 0 HG13 VAL A 81 8.658 -11.477 -8.904 1.00 31.32 H new ATOM 0 HG21 VAL A 81 7.567 -9.626 -6.684 1.00 11.33 H new ATOM 0 HG22 VAL A 81 7.249 -11.377 -6.687 1.00 11.33 H new ATOM 0 HG23 VAL A 81 7.988 -10.609 -5.262 1.00 11.33 H new