USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 853 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 30 THR OG1 : rot 180:sc= 0.279 USER MOD Set 1.2: A 36 LYS NZ :NH3+ -154:sc= 0.42 (180deg=0.111) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc=-0.00319 K(o=-0.0032,f=-0.98!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 44:sc= 0.113 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -132:sc= -0.565 (180deg=-1.82!) USER MOD Single : A 43 HIS : no HD1:sc= -0.492 X(o=-0.49,f=-0.034) USER MOD Single : A 44 SER OG : rot 154:sc= 0.918 USER MOD Single : A 46 SER OG : rot 115:sc= 0.0238 USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= -0.101 (180deg=-0.638) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.79! K(o=-2.8!,f=-2.2) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 82:sc= 1.03 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.513 USER MOD Single : A 76 THR OG1 : rot -51:sc= -0.64! USER MOD Single : A 78 GLN : amide:sc= -0.505 K(o=-0.5,f=-3!) USER MOD Single : A 81 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.136) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -105:sc= -3.11! (180deg=-5.86!) USER MOD Single : A 90 SER OG : rot 125:sc= 1.28 USER MOD Single : A 93 ASN : amide:sc= -3.5! K(o=-3.5!,f=-1.2) USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.301) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 71:sc= 0.172 USER MOD Single : A 102 ASN : amide:sc= -0.216 K(o=-0.22,f=-2.7!) USER MOD Single : B 5 TYR OH : rot 15:sc= -2.55 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.922 -1.707 8.879 1.00 0.24 N ATOM 21 CA VAL A 2 -2.562 -1.586 8.273 1.00 0.19 C ATOM 22 C VAL A 2 -1.778 -2.882 8.505 1.00 0.22 C ATOM 23 O VAL A 2 -2.078 -3.649 9.398 1.00 0.28 O ATOM 24 CB VAL A 2 -1.822 -0.419 8.928 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.420 -0.298 8.326 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.602 0.876 8.683 1.00 0.30 C ATOM 0 HA VAL A 2 -2.655 -1.408 7.202 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.738 -0.595 10.000 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.106 0.534 8.794 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.132 -1.221 8.501 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.499 -0.121 7.253 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.077 1.710 9.149 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.686 1.053 7.611 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.599 0.788 9.115 1.00 0.30 H new ATOM 36 N LYS A 3 -0.770 -3.126 7.708 1.00 0.18 N ATOM 37 CA LYS A 3 0.048 -4.366 7.879 1.00 0.22 C ATOM 38 C LYS A 3 1.450 -4.112 7.324 1.00 0.16 C ATOM 39 O LYS A 3 1.616 -3.710 6.190 1.00 0.13 O ATOM 40 CB LYS A 3 -0.600 -5.535 7.118 1.00 0.26 C ATOM 41 CG LYS A 3 0.015 -6.861 7.582 1.00 0.34 C ATOM 42 CD LYS A 3 -0.839 -8.025 7.068 1.00 0.81 C ATOM 43 CE LYS A 3 -0.259 -9.362 7.555 1.00 1.37 C ATOM 44 NZ LYS A 3 -1.355 -10.368 7.649 1.00 1.97 N ATOM 0 H LYS A 3 -0.477 -2.518 6.943 1.00 0.18 H new ATOM 0 HA LYS A 3 0.104 -4.622 8.937 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.676 -5.542 7.292 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.451 -5.410 6.045 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.035 -6.952 7.209 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.070 -6.888 8.670 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.865 -7.916 7.419 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.871 -8.009 5.979 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.512 -9.710 6.867 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.216 -9.233 8.527 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.967 -11.275 7.978 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -2.075 -10.035 8.321 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -1.789 -10.497 6.713 1.00 1.97 H new ATOM 58 N GLN A 4 2.462 -4.333 8.121 1.00 0.18 N ATOM 59 CA GLN A 4 3.856 -4.090 7.647 1.00 0.15 C ATOM 60 C GLN A 4 4.405 -5.352 6.972 1.00 0.13 C ATOM 61 O GLN A 4 4.274 -6.451 7.473 1.00 0.14 O ATOM 62 CB GLN A 4 4.735 -3.717 8.849 1.00 0.20 C ATOM 63 CG GLN A 4 6.220 -3.748 8.454 1.00 0.21 C ATOM 64 CD GLN A 4 7.044 -2.950 9.468 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.590 -2.684 10.563 1.00 0.81 O ATOM 66 NE2 GLN A 4 8.245 -2.553 9.146 1.00 0.98 N ATOM 0 H GLN A 4 2.383 -4.671 9.080 1.00 0.18 H new ATOM 0 HA GLN A 4 3.860 -3.275 6.923 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.468 -2.723 9.209 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.555 -4.412 9.669 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.574 -4.778 8.415 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.349 -3.328 7.456 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.627 -2.776 8.227 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.802 -2.020 9.814 1.00 0.98 H new ATOM 75 N ILE A 5 5.033 -5.183 5.839 1.00 0.10 N ATOM 76 CA ILE A 5 5.624 -6.338 5.098 1.00 0.10 C ATOM 77 C ILE A 5 7.148 -6.259 5.225 1.00 0.10 C ATOM 78 O ILE A 5 7.781 -5.418 4.618 1.00 0.11 O ATOM 79 CB ILE A 5 5.255 -6.228 3.616 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.747 -5.934 3.435 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.654 -7.510 2.877 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.858 -6.917 4.217 1.00 0.19 C ATOM 0 H ILE A 5 5.164 -4.278 5.387 1.00 0.10 H new ATOM 0 HA ILE A 5 5.248 -7.277 5.505 1.00 0.10 H new ATOM 0 HB ILE A 5 5.806 -5.391 3.187 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.536 -4.917 3.765 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.495 -5.984 2.376 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.387 -7.421 1.824 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.730 -7.662 2.967 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.130 -8.360 3.314 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.809 -6.667 4.056 1.00 0.19 H new ATOM 0 HD12 ILE A 5 3.046 -7.933 3.870 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.088 -6.849 5.280 1.00 0.19 H new ATOM 94 N GLU A 6 7.741 -7.117 6.006 1.00 0.11 N ATOM 95 CA GLU A 6 9.226 -7.081 6.172 1.00 0.14 C ATOM 96 C GLU A 6 9.869 -8.152 5.287 1.00 0.14 C ATOM 97 O GLU A 6 11.073 -8.203 5.135 1.00 0.17 O ATOM 98 CB GLU A 6 9.567 -7.365 7.634 1.00 0.18 C ATOM 99 CG GLU A 6 8.690 -6.507 8.542 1.00 0.31 C ATOM 100 CD GLU A 6 9.149 -6.664 9.993 1.00 1.20 C ATOM 101 OE1 GLU A 6 10.294 -6.347 10.268 1.00 1.97 O ATOM 102 OE2 GLU A 6 8.348 -7.099 10.803 1.00 1.96 O ATOM 0 H GLU A 6 7.263 -7.844 6.539 1.00 0.11 H new ATOM 0 HA GLU A 6 9.604 -6.100 5.883 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.413 -8.421 7.855 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.619 -7.151 7.820 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.751 -5.461 8.241 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.646 -6.806 8.445 1.00 0.31 H new ATOM 109 N SER A 7 9.075 -9.008 4.698 1.00 0.13 N ATOM 110 CA SER A 7 9.642 -10.075 3.821 1.00 0.15 C ATOM 111 C SER A 7 8.615 -10.466 2.759 1.00 0.14 C ATOM 112 O SER A 7 7.421 -10.384 2.972 1.00 0.12 O ATOM 113 CB SER A 7 9.995 -11.298 4.665 1.00 0.20 C ATOM 114 OG SER A 7 8.815 -11.803 5.277 1.00 0.23 O ATOM 0 H SER A 7 8.059 -9.014 4.786 1.00 0.13 H new ATOM 0 HA SER A 7 10.542 -9.700 3.333 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.452 -12.066 4.040 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.727 -11.030 5.427 1.00 0.20 H new ATOM 0 HG SER A 7 9.038 -12.589 5.818 1.00 0.23 H new ATOM 120 N LYS A 8 9.073 -10.889 1.615 1.00 0.15 N ATOM 121 CA LYS A 8 8.134 -11.286 0.530 1.00 0.14 C ATOM 122 C LYS A 8 7.112 -12.287 1.082 1.00 0.14 C ATOM 123 O LYS A 8 5.997 -12.374 0.608 1.00 0.13 O ATOM 124 CB LYS A 8 8.938 -11.928 -0.610 1.00 0.17 C ATOM 125 CG LYS A 8 8.136 -11.887 -1.917 1.00 0.21 C ATOM 126 CD LYS A 8 9.035 -12.296 -3.090 1.00 0.22 C ATOM 127 CE LYS A 8 9.494 -13.745 -2.914 1.00 1.06 C ATOM 128 NZ LYS A 8 10.010 -14.265 -4.212 1.00 1.90 N ATOM 0 H LYS A 8 10.062 -10.977 1.384 1.00 0.15 H new ATOM 0 HA LYS A 8 7.604 -10.411 0.153 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.883 -11.401 -0.739 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.181 -12.960 -0.357 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.280 -12.559 -1.851 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.742 -10.884 -2.081 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.493 -12.189 -4.030 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.900 -11.635 -3.144 1.00 0.22 H new ATOM 0 HE2 LYS A 8 10.272 -13.801 -2.153 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.664 -14.361 -2.568 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 10.322 -15.250 -4.092 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.255 -14.225 -4.927 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 10.813 -13.683 -4.524 1.00 1.90 H new ATOM 142 N THR A 9 7.482 -13.040 2.081 1.00 0.16 N ATOM 143 CA THR A 9 6.531 -14.030 2.660 1.00 0.18 C ATOM 144 C THR A 9 5.300 -13.302 3.202 1.00 0.16 C ATOM 145 O THR A 9 4.178 -13.729 3.010 1.00 0.17 O ATOM 146 CB THR A 9 7.213 -14.788 3.794 1.00 0.21 C ATOM 147 OG1 THR A 9 8.393 -15.410 3.306 1.00 0.24 O ATOM 148 CG2 THR A 9 6.263 -15.849 4.348 1.00 0.25 C ATOM 0 H THR A 9 8.402 -13.012 2.521 1.00 0.16 H new ATOM 0 HA THR A 9 6.224 -14.733 1.885 1.00 0.18 H new ATOM 0 HB THR A 9 7.474 -14.090 4.590 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.832 -15.896 4.035 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.753 -16.389 5.158 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.361 -15.368 4.726 1.00 0.25 H new ATOM 0 HG23 THR A 9 5.996 -16.548 3.555 1.00 0.25 H new ATOM 156 N ALA A 10 5.502 -12.207 3.879 1.00 0.16 N ATOM 157 CA ALA A 10 4.349 -11.447 4.439 1.00 0.17 C ATOM 158 C ALA A 10 3.552 -10.810 3.298 1.00 0.15 C ATOM 159 O ALA A 10 2.368 -10.561 3.422 1.00 0.17 O ATOM 160 CB ALA A 10 4.872 -10.355 5.378 1.00 0.20 C ATOM 0 H ALA A 10 6.419 -11.804 4.070 1.00 0.16 H new ATOM 0 HA ALA A 10 3.699 -12.123 4.995 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.032 -9.796 5.790 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.436 -10.813 6.190 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.521 -9.678 4.823 1.00 0.20 H new ATOM 166 N PHE A 11 4.186 -10.539 2.189 1.00 0.12 N ATOM 167 CA PHE A 11 3.453 -9.914 1.052 1.00 0.11 C ATOM 168 C PHE A 11 2.309 -10.825 0.608 1.00 0.13 C ATOM 169 O PHE A 11 1.153 -10.498 0.769 1.00 0.16 O ATOM 170 CB PHE A 11 4.407 -9.686 -0.124 1.00 0.10 C ATOM 171 CG PHE A 11 3.644 -9.039 -1.259 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.187 -7.714 -1.128 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.391 -9.756 -2.446 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.478 -7.105 -2.182 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.682 -9.147 -3.498 1.00 0.18 C ATOM 176 CZ PHE A 11 2.226 -7.822 -3.366 1.00 0.21 C ATOM 0 H PHE A 11 5.175 -10.723 2.022 1.00 0.12 H new ATOM 0 HA PHE A 11 3.048 -8.956 1.379 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.237 -9.050 0.183 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.835 -10.634 -0.450 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.380 -7.164 -0.219 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.741 -10.773 -2.548 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.128 -6.088 -2.081 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.488 -9.697 -4.407 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.682 -7.355 -4.174 1.00 0.21 H new ATOM 186 N GLN A 12 2.619 -11.961 0.048 1.00 0.15 N ATOM 187 CA GLN A 12 1.542 -12.881 -0.415 1.00 0.19 C ATOM 188 C GLN A 12 0.578 -13.168 0.739 1.00 0.17 C ATOM 189 O GLN A 12 -0.625 -13.154 0.571 1.00 0.16 O ATOM 190 CB GLN A 12 2.165 -14.194 -0.895 1.00 0.24 C ATOM 191 CG GLN A 12 2.847 -13.975 -2.247 1.00 1.21 C ATOM 192 CD GLN A 12 1.784 -13.816 -3.336 1.00 1.77 C ATOM 193 OE1 GLN A 12 0.681 -14.307 -3.201 1.00 2.35 O ATOM 194 NE2 GLN A 12 2.071 -13.146 -4.418 1.00 2.47 N ATOM 0 H GLN A 12 3.571 -12.292 -0.109 1.00 0.15 H new ATOM 0 HA GLN A 12 0.996 -12.414 -1.235 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.890 -14.552 -0.164 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.396 -14.962 -0.984 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.478 -13.087 -2.208 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.497 -14.819 -2.479 1.00 1.21 H new ATOM 0 HE21 GLN A 12 2.997 -12.734 -4.532 1.00 2.47 H new ATOM 0 HE22 GLN A 12 1.369 -13.035 -5.150 1.00 2.47 H new ATOM 203 N GLU A 13 1.093 -13.430 1.908 1.00 0.19 N ATOM 204 CA GLU A 13 0.202 -13.719 3.064 1.00 0.20 C ATOM 205 C GLU A 13 -0.737 -12.533 3.302 1.00 0.18 C ATOM 206 O GLU A 13 -1.893 -12.704 3.639 1.00 0.19 O ATOM 207 CB GLU A 13 1.058 -13.958 4.311 1.00 0.25 C ATOM 208 CG GLU A 13 1.661 -15.364 4.267 1.00 0.30 C ATOM 209 CD GLU A 13 0.567 -16.398 4.535 1.00 1.29 C ATOM 210 OE1 GLU A 13 0.021 -16.386 5.626 1.00 2.03 O ATOM 211 OE2 GLU A 13 0.293 -17.185 3.645 1.00 2.10 O ATOM 0 H GLU A 13 2.092 -13.456 2.112 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.393 -14.607 2.853 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.852 -13.214 4.366 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.450 -13.842 5.208 1.00 0.25 H new ATOM 0 HG2 GLU A 13 2.117 -15.545 3.294 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.452 -15.455 5.011 1.00 0.30 H new ATOM 218 N ALA A 14 -0.255 -11.333 3.133 1.00 0.18 N ATOM 219 CA ALA A 14 -1.129 -10.146 3.354 1.00 0.18 C ATOM 220 C ALA A 14 -2.325 -10.212 2.395 1.00 0.18 C ATOM 221 O ALA A 14 -3.458 -10.016 2.785 1.00 0.19 O ATOM 222 CB ALA A 14 -0.323 -8.877 3.085 1.00 0.20 C ATOM 0 H ALA A 14 0.703 -11.123 2.852 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.491 -10.137 4.382 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.955 -8.004 3.244 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.529 -8.837 3.763 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.033 -8.884 2.055 1.00 0.20 H new ATOM 228 N LEU A 15 -2.074 -10.490 1.143 1.00 0.17 N ATOM 229 CA LEU A 15 -3.186 -10.578 0.146 1.00 0.18 C ATOM 230 C LEU A 15 -4.108 -11.748 0.499 1.00 0.18 C ATOM 231 O LEU A 15 -5.314 -11.650 0.405 1.00 0.18 O ATOM 232 CB LEU A 15 -2.601 -10.792 -1.256 1.00 0.19 C ATOM 233 CG LEU A 15 -1.352 -9.928 -1.439 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.856 -10.055 -2.881 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.694 -8.465 -1.148 1.00 0.62 C ATOM 0 H LEU A 15 -1.142 -10.661 0.764 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.759 -9.651 0.165 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.350 -11.843 -1.398 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.344 -10.537 -2.012 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.575 -10.263 -0.752 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.034 -9.440 -3.015 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.613 -11.096 -3.092 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.635 -9.719 -3.565 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.803 -7.850 -1.279 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.471 -8.129 -1.835 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -2.052 -8.372 -0.123 1.00 0.62 H new ATOM 247 N ASP A 16 -3.548 -12.857 0.898 1.00 0.19 N ATOM 248 CA ASP A 16 -4.392 -14.034 1.247 1.00 0.21 C ATOM 249 C ASP A 16 -5.285 -13.689 2.441 1.00 0.20 C ATOM 250 O ASP A 16 -6.432 -14.084 2.504 1.00 0.20 O ATOM 251 CB ASP A 16 -3.490 -15.218 1.604 1.00 0.24 C ATOM 252 CG ASP A 16 -4.316 -16.505 1.628 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.185 -16.643 0.783 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.065 -17.332 2.489 1.00 1.09 O ATOM 0 H ASP A 16 -2.543 -12.999 0.997 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.018 -14.299 0.395 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.683 -15.306 0.876 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -3.026 -15.054 2.576 1.00 0.24 H new ATOM 259 N ALA A 17 -4.767 -12.957 3.390 1.00 0.22 N ATOM 260 CA ALA A 17 -5.588 -12.590 4.580 1.00 0.24 C ATOM 261 C ALA A 17 -6.506 -11.414 4.235 1.00 0.21 C ATOM 262 O ALA A 17 -7.459 -11.134 4.935 1.00 0.22 O ATOM 263 CB ALA A 17 -4.662 -12.188 5.730 1.00 0.30 C ATOM 0 H ALA A 17 -3.812 -12.598 3.393 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.195 -13.446 4.876 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.259 -11.919 6.601 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -4.010 -13.024 5.981 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -4.056 -11.334 5.428 1.00 0.30 H new ATOM 269 N ALA A 18 -6.227 -10.718 3.165 1.00 0.21 N ATOM 270 CA ALA A 18 -7.085 -9.558 2.786 1.00 0.22 C ATOM 271 C ALA A 18 -8.461 -10.053 2.330 1.00 0.21 C ATOM 272 O ALA A 18 -9.362 -9.273 2.096 1.00 0.24 O ATOM 273 CB ALA A 18 -6.419 -8.781 1.649 1.00 0.23 C ATOM 0 H ALA A 18 -5.444 -10.902 2.538 1.00 0.21 H new ATOM 0 HA ALA A 18 -7.208 -8.906 3.651 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -7.046 -7.933 1.372 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.444 -8.420 1.977 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.292 -9.436 0.787 1.00 0.23 H new ATOM 279 N GLY A 19 -8.631 -11.339 2.204 1.00 0.22 N ATOM 280 CA GLY A 19 -9.951 -11.876 1.764 1.00 0.24 C ATOM 281 C GLY A 19 -10.236 -11.439 0.325 1.00 0.20 C ATOM 282 O GLY A 19 -9.655 -11.950 -0.613 1.00 0.28 O ATOM 0 H GLY A 19 -7.915 -12.042 2.386 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.951 -12.964 1.830 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.739 -11.516 2.426 1.00 0.24 H new ATOM 286 N ASP A 20 -11.130 -10.498 0.143 1.00 0.13 N ATOM 287 CA ASP A 20 -11.465 -10.021 -1.236 1.00 0.18 C ATOM 288 C ASP A 20 -11.591 -8.495 -1.239 1.00 0.15 C ATOM 289 O ASP A 20 -11.916 -7.896 -2.244 1.00 0.22 O ATOM 290 CB ASP A 20 -12.795 -10.637 -1.679 1.00 0.26 C ATOM 291 CG ASP A 20 -12.747 -12.153 -1.484 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.825 -12.587 -0.346 1.00 2.21 O ATOM 293 OD2 ASP A 20 -12.634 -12.855 -2.476 1.00 2.19 O ATOM 0 H ASP A 20 -11.645 -10.037 0.894 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.673 -10.321 -1.922 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.615 -10.211 -1.101 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.986 -10.400 -2.726 1.00 0.26 H new ATOM 298 N LYS A 21 -11.335 -7.857 -0.127 1.00 0.12 N ATOM 299 CA LYS A 21 -11.440 -6.374 -0.089 1.00 0.19 C ATOM 300 C LYS A 21 -10.302 -5.771 -0.908 1.00 0.15 C ATOM 301 O LYS A 21 -9.361 -6.447 -1.272 1.00 0.15 O ATOM 302 CB LYS A 21 -11.346 -5.893 1.360 1.00 0.27 C ATOM 303 CG LYS A 21 -12.689 -6.118 2.057 1.00 0.29 C ATOM 304 CD LYS A 21 -12.515 -5.936 3.564 1.00 0.30 C ATOM 305 CE LYS A 21 -13.887 -5.762 4.218 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.723 -5.599 5.690 1.00 1.90 N ATOM 0 H LYS A 21 -11.059 -8.298 0.750 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.396 -6.061 -0.508 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.557 -6.433 1.884 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.082 -4.836 1.388 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.430 -5.415 1.678 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.060 -7.120 1.841 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -12.005 -6.800 3.989 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.891 -5.066 3.766 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.392 -4.892 3.800 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.515 -6.628 4.006 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.657 -5.481 6.132 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.258 -6.442 6.083 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.140 -4.760 5.884 1.00 1.90 H new ATOM 320 N LEU A 22 -10.381 -4.508 -1.205 1.00 0.13 N ATOM 321 CA LEU A 22 -9.308 -3.872 -2.004 1.00 0.11 C ATOM 322 C LEU A 22 -7.998 -3.926 -1.201 1.00 0.10 C ATOM 323 O LEU A 22 -8.007 -4.144 -0.005 1.00 0.11 O ATOM 324 CB LEU A 22 -9.711 -2.409 -2.297 1.00 0.12 C ATOM 325 CG LEU A 22 -9.560 -2.064 -3.786 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.966 -0.600 -3.993 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.103 -2.254 -4.238 1.00 0.11 C ATOM 0 H LEU A 22 -11.143 -3.890 -0.928 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.164 -4.395 -2.950 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.744 -2.248 -1.989 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.093 -1.736 -1.703 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.197 -2.725 -4.375 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.864 -0.340 -5.047 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -11.002 -0.463 -3.684 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.321 0.044 -3.396 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -8.015 -2.005 -5.296 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.453 -1.600 -3.656 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.806 -3.291 -4.084 1.00 0.11 H new ATOM 339 N VAL A 23 -6.877 -3.725 -1.842 1.00 0.08 N ATOM 340 CA VAL A 23 -5.574 -3.764 -1.108 1.00 0.09 C ATOM 341 C VAL A 23 -4.606 -2.760 -1.734 1.00 0.08 C ATOM 342 O VAL A 23 -4.090 -2.980 -2.810 1.00 0.09 O ATOM 343 CB VAL A 23 -4.973 -5.167 -1.207 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.795 -5.287 -0.239 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.035 -6.206 -0.845 1.00 0.10 C ATOM 0 H VAL A 23 -6.805 -3.535 -2.842 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.742 -3.510 -0.062 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.627 -5.341 -2.226 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.367 -6.287 -0.309 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.036 -4.548 -0.496 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.142 -5.112 0.779 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.605 -7.205 -0.916 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.382 -6.032 0.173 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.875 -6.123 -1.534 1.00 0.10 H new ATOM 355 N VAL A 24 -4.344 -1.663 -1.062 1.00 0.08 N ATOM 356 CA VAL A 24 -3.396 -0.642 -1.608 1.00 0.08 C ATOM 357 C VAL A 24 -2.063 -0.760 -0.866 1.00 0.08 C ATOM 358 O VAL A 24 -2.012 -0.777 0.348 1.00 0.08 O ATOM 359 CB VAL A 24 -3.982 0.761 -1.419 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.226 1.759 -2.300 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.462 0.753 -1.808 1.00 0.09 C ATOM 0 H VAL A 24 -4.749 -1.431 -0.155 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.238 -0.813 -2.673 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.882 1.056 -0.374 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.645 2.756 -2.163 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.173 1.767 -2.020 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.321 1.466 -3.346 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.879 1.751 -1.674 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.562 0.455 -2.852 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.000 0.047 -1.176 1.00 0.09 H new ATOM 371 N VAL A 25 -0.985 -0.866 -1.599 1.00 0.09 N ATOM 372 CA VAL A 25 0.368 -1.011 -0.973 1.00 0.09 C ATOM 373 C VAL A 25 1.161 0.279 -1.147 1.00 0.10 C ATOM 374 O VAL A 25 1.203 0.851 -2.215 1.00 0.17 O ATOM 375 CB VAL A 25 1.118 -2.144 -1.678 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.313 -2.586 -0.830 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.168 -3.325 -1.881 1.00 0.09 C ATOM 0 H VAL A 25 -0.983 -0.858 -2.619 1.00 0.09 H new ATOM 0 HA VAL A 25 0.254 -1.228 0.089 1.00 0.09 H new ATOM 0 HB VAL A 25 1.480 -1.792 -2.644 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.841 -3.392 -1.338 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.989 -1.743 -0.686 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.961 -2.938 0.140 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.697 -4.135 -2.383 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.193 -3.672 -0.913 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.678 -3.011 -2.492 1.00 0.09 H new ATOM 387 N ASP A 26 1.803 0.729 -0.103 1.00 0.08 N ATOM 388 CA ASP A 26 2.617 1.976 -0.189 1.00 0.08 C ATOM 389 C ASP A 26 4.103 1.608 -0.182 1.00 0.08 C ATOM 390 O ASP A 26 4.679 1.336 0.852 1.00 0.09 O ATOM 391 CB ASP A 26 2.307 2.863 1.017 1.00 0.09 C ATOM 392 CG ASP A 26 3.214 4.094 0.995 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.727 4.408 -0.067 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.381 4.703 2.038 1.00 0.93 O ATOM 0 H ASP A 26 1.798 0.282 0.814 1.00 0.08 H new ATOM 0 HA ASP A 26 2.377 2.512 -1.108 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.261 3.169 0.997 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.458 2.304 1.941 1.00 0.09 H new ATOM 399 N PHE A 27 4.732 1.608 -1.326 1.00 0.08 N ATOM 400 CA PHE A 27 6.182 1.270 -1.380 1.00 0.09 C ATOM 401 C PHE A 27 6.968 2.544 -1.088 1.00 0.11 C ATOM 402 O PHE A 27 7.433 3.216 -1.986 1.00 0.13 O ATOM 403 CB PHE A 27 6.542 0.789 -2.785 1.00 0.10 C ATOM 404 CG PHE A 27 6.101 -0.644 -2.994 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.772 -0.938 -3.361 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.033 -1.687 -2.839 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.378 -2.278 -3.569 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.640 -3.024 -3.049 1.00 0.21 C ATOM 409 CZ PHE A 27 5.314 -3.318 -3.413 1.00 0.23 C ATOM 0 H PHE A 27 4.304 1.828 -2.225 1.00 0.08 H new ATOM 0 HA PHE A 27 6.414 0.488 -0.657 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.068 1.432 -3.527 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.619 0.868 -2.936 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.056 -0.139 -3.483 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.051 -1.462 -2.559 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.359 -2.505 -3.848 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.357 -3.823 -2.930 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.013 -4.343 -3.573 1.00 0.23 H new ATOM 419 N SER A 28 7.106 2.884 0.164 1.00 0.11 N ATOM 420 CA SER A 28 7.846 4.124 0.542 1.00 0.12 C ATOM 421 C SER A 28 9.153 3.747 1.232 1.00 0.10 C ATOM 422 O SER A 28 9.616 2.627 1.151 1.00 0.11 O ATOM 423 CB SER A 28 6.984 4.937 1.509 1.00 0.17 C ATOM 424 OG SER A 28 5.828 5.406 0.827 1.00 1.03 O ATOM 0 H SER A 28 6.734 2.351 0.950 1.00 0.11 H new ATOM 0 HA SER A 28 8.063 4.711 -0.351 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.693 4.322 2.361 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.554 5.778 1.903 1.00 0.17 H new ATOM 0 HG SER A 28 5.459 4.685 0.275 1.00 1.03 H new ATOM 430 N ALA A 29 9.743 4.684 1.917 1.00 0.10 N ATOM 431 CA ALA A 29 11.026 4.414 2.637 1.00 0.15 C ATOM 432 C ALA A 29 10.990 5.136 3.987 1.00 0.18 C ATOM 433 O ALA A 29 10.760 6.326 4.064 1.00 0.26 O ATOM 434 CB ALA A 29 12.199 4.928 1.795 1.00 0.19 C ATOM 0 H ALA A 29 9.391 5.637 2.012 1.00 0.10 H new ATOM 0 HA ALA A 29 11.152 3.343 2.799 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.135 4.732 2.318 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.207 4.417 0.832 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.090 6.001 1.635 1.00 0.19 H new ATOM 440 N THR A 30 11.193 4.411 5.053 1.00 0.18 N ATOM 441 CA THR A 30 11.147 5.035 6.409 1.00 0.23 C ATOM 442 C THR A 30 12.279 6.056 6.575 1.00 0.26 C ATOM 443 O THR A 30 12.183 6.970 7.370 1.00 0.31 O ATOM 444 CB THR A 30 11.292 3.943 7.473 1.00 0.26 C ATOM 445 OG1 THR A 30 11.226 4.532 8.765 1.00 0.32 O ATOM 446 CG2 THR A 30 12.635 3.235 7.302 1.00 0.28 C ATOM 0 H THR A 30 11.389 3.410 5.045 1.00 0.18 H new ATOM 0 HA THR A 30 10.193 5.549 6.525 1.00 0.23 H new ATOM 0 HB THR A 30 10.486 3.218 7.361 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.317 3.835 9.447 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.736 2.458 8.060 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.685 2.783 6.311 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.444 3.957 7.413 1.00 0.28 H new ATOM 454 N TRP A 31 13.353 5.907 5.850 1.00 0.26 N ATOM 455 CA TRP A 31 14.490 6.869 5.988 1.00 0.32 C ATOM 456 C TRP A 31 14.303 8.048 5.030 1.00 0.32 C ATOM 457 O TRP A 31 14.906 9.091 5.189 1.00 0.36 O ATOM 458 CB TRP A 31 15.801 6.149 5.653 1.00 0.34 C ATOM 459 CG TRP A 31 15.874 5.889 4.184 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.481 4.749 3.574 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.347 6.778 3.133 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.706 4.870 2.213 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.231 6.105 1.888 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.868 8.093 3.141 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.620 6.718 0.687 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.257 8.712 1.936 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.134 8.027 0.711 1.00 0.40 C ATOM 0 H TRP A 31 13.495 5.162 5.168 1.00 0.26 H new ATOM 0 HA TRP A 31 14.520 7.243 7.011 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.650 6.756 5.967 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.861 5.209 6.201 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.060 3.885 4.067 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.508 4.136 1.533 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.968 8.625 4.075 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.525 6.188 -0.249 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.652 9.717 1.952 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.434 8.507 -0.209 1.00 0.40 H new ATOM 478 N CYS A 32 13.491 7.884 4.021 1.00 0.28 N ATOM 479 CA CYS A 32 13.287 8.985 3.035 1.00 0.30 C ATOM 480 C CYS A 32 12.081 9.831 3.455 1.00 0.31 C ATOM 481 O CYS A 32 10.980 9.340 3.611 1.00 0.29 O ATOM 482 CB CYS A 32 13.061 8.369 1.646 1.00 0.28 C ATOM 483 SG CYS A 32 13.680 9.497 0.371 1.00 0.32 S ATOM 0 H CYS A 32 12.959 7.034 3.836 1.00 0.28 H new ATOM 0 HA CYS A 32 14.165 9.630 3.001 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.572 7.409 1.576 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.999 8.177 1.491 1.00 0.28 H new ATOM 488 N GLY A 33 12.297 11.101 3.649 1.00 0.34 N ATOM 489 CA GLY A 33 11.195 12.009 4.069 1.00 0.36 C ATOM 490 C GLY A 33 10.108 12.118 2.985 1.00 0.35 C ATOM 491 O GLY A 33 8.955 11.859 3.264 1.00 0.33 O ATOM 0 H GLY A 33 13.203 11.555 3.533 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.752 11.641 4.994 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.599 12.999 4.281 1.00 0.36 H new ATOM 495 N PRO A 34 10.485 12.530 1.789 1.00 0.37 N ATOM 496 CA PRO A 34 9.516 12.713 0.690 1.00 0.38 C ATOM 497 C PRO A 34 8.556 11.522 0.578 1.00 0.35 C ATOM 498 O PRO A 34 7.388 11.688 0.286 1.00 0.36 O ATOM 499 CB PRO A 34 10.390 12.870 -0.574 1.00 0.42 C ATOM 500 CG PRO A 34 11.830 13.183 -0.084 1.00 0.44 C ATOM 501 CD PRO A 34 11.888 12.831 1.422 1.00 0.40 C ATOM 0 HA PRO A 34 8.871 13.577 0.849 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.374 11.958 -1.171 1.00 0.42 H new ATOM 0 HB3 PRO A 34 10.014 13.673 -1.208 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.562 12.601 -0.644 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.070 14.234 -0.243 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.538 11.975 1.604 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.282 13.661 2.008 1.00 0.40 H new ATOM 509 N ALA A 35 9.024 10.330 0.806 1.00 0.33 N ATOM 510 CA ALA A 35 8.116 9.154 0.706 1.00 0.32 C ATOM 511 C ALA A 35 7.239 9.095 1.960 1.00 0.39 C ATOM 512 O ALA A 35 6.027 9.155 1.890 1.00 0.81 O ATOM 513 CB ALA A 35 8.953 7.875 0.586 1.00 0.36 C ATOM 0 H ALA A 35 9.990 10.118 1.056 1.00 0.33 H new ATOM 0 HA ALA A 35 7.480 9.244 -0.175 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.291 7.012 0.513 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.577 7.931 -0.306 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.588 7.771 1.466 1.00 0.36 H new ATOM 519 N LYS A 36 7.850 8.987 3.104 1.00 0.30 N ATOM 520 CA LYS A 36 7.075 8.930 4.377 1.00 0.28 C ATOM 521 C LYS A 36 6.232 10.200 4.535 1.00 0.24 C ATOM 522 O LYS A 36 5.336 10.262 5.353 1.00 0.25 O ATOM 523 CB LYS A 36 8.058 8.820 5.544 1.00 0.35 C ATOM 524 CG LYS A 36 7.299 8.899 6.874 1.00 0.38 C ATOM 525 CD LYS A 36 8.218 8.462 8.035 1.00 0.49 C ATOM 526 CE LYS A 36 8.170 6.935 8.214 1.00 1.22 C ATOM 527 NZ LYS A 36 9.425 6.475 8.874 1.00 1.92 N ATOM 0 H LYS A 36 8.863 8.935 3.215 1.00 0.30 H new ATOM 0 HA LYS A 36 6.410 8.066 4.364 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.605 7.879 5.483 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.795 9.621 5.487 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.948 9.917 7.041 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.417 8.259 6.837 1.00 0.38 H new ATOM 0 HD2 LYS A 36 9.242 8.779 7.835 1.00 0.49 H new ATOM 0 HD3 LYS A 36 7.907 8.952 8.957 1.00 0.49 H new ATOM 0 HE2 LYS A 36 7.306 6.655 8.816 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.055 6.448 7.246 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 9.611 5.485 8.614 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 10.219 7.070 8.563 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 9.321 6.548 9.906 1.00 1.92 H new ATOM 541 N MET A 37 6.520 11.218 3.772 1.00 0.23 N ATOM 542 CA MET A 37 5.745 12.486 3.895 1.00 0.24 C ATOM 543 C MET A 37 4.254 12.228 3.649 1.00 0.20 C ATOM 544 O MET A 37 3.413 13.020 4.025 1.00 0.20 O ATOM 545 CB MET A 37 6.260 13.504 2.866 1.00 0.29 C ATOM 546 CG MET A 37 5.804 14.913 3.255 1.00 1.31 C ATOM 547 SD MET A 37 6.796 15.503 4.650 1.00 2.12 S ATOM 548 CE MET A 37 6.519 17.273 4.394 1.00 3.13 C ATOM 0 H MET A 37 7.258 11.227 3.068 1.00 0.23 H new ATOM 0 HA MET A 37 5.875 12.879 4.903 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.348 13.465 2.816 1.00 0.29 H new ATOM 0 HB3 MET A 37 5.886 13.252 1.874 1.00 0.29 H new ATOM 0 HG2 MET A 37 5.911 15.589 2.407 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.748 14.904 3.524 1.00 1.31 H new ATOM 0 HE1 MET A 37 7.051 17.839 5.159 1.00 3.13 H new ATOM 0 HE2 MET A 37 6.887 17.560 3.409 1.00 3.13 H new ATOM 0 HE3 MET A 37 5.452 17.488 4.460 1.00 3.13 H new ATOM 558 N ILE A 38 3.917 11.140 3.001 1.00 0.18 N ATOM 559 CA ILE A 38 2.475 10.853 2.707 1.00 0.15 C ATOM 560 C ILE A 38 1.889 9.898 3.747 1.00 0.16 C ATOM 561 O ILE A 38 0.781 9.424 3.603 1.00 0.16 O ATOM 562 CB ILE A 38 2.352 10.212 1.317 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.087 11.087 0.285 1.00 0.17 C ATOM 564 CG2 ILE A 38 0.862 10.080 0.933 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.210 10.347 -1.057 1.00 0.28 C ATOM 0 H ILE A 38 4.575 10.438 2.663 1.00 0.18 H new ATOM 0 HA ILE A 38 1.924 11.793 2.739 1.00 0.15 H new ATOM 0 HB ILE A 38 2.801 9.219 1.332 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.547 12.023 0.143 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.079 11.344 0.658 1.00 0.17 H new ATOM 0 HG21 ILE A 38 0.780 9.625 -0.054 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.352 9.454 1.665 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.402 11.068 0.916 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.732 10.980 -1.775 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.770 9.423 -0.913 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.215 10.113 -1.436 1.00 0.28 H new ATOM 577 N LYS A 39 2.597 9.599 4.801 1.00 0.19 N ATOM 578 CA LYS A 39 2.011 8.664 5.797 1.00 0.22 C ATOM 579 C LYS A 39 0.772 9.256 6.508 1.00 0.20 C ATOM 580 O LYS A 39 -0.106 8.508 6.871 1.00 0.21 O ATOM 581 CB LYS A 39 3.073 8.153 6.807 1.00 0.31 C ATOM 582 CG LYS A 39 3.366 9.157 7.947 1.00 0.34 C ATOM 583 CD LYS A 39 3.987 8.423 9.149 1.00 0.45 C ATOM 584 CE LYS A 39 2.987 7.425 9.773 1.00 1.16 C ATOM 585 NZ LYS A 39 3.323 6.047 9.313 1.00 1.62 N ATOM 0 H LYS A 39 3.531 9.951 5.012 1.00 0.19 H new ATOM 0 HA LYS A 39 1.659 7.797 5.238 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.730 7.213 7.239 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.999 7.940 6.273 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.045 9.933 7.594 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.445 9.654 8.250 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.884 7.892 8.830 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.297 9.149 9.901 1.00 0.45 H new ATOM 0 HE2 LYS A 39 3.030 7.480 10.861 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.968 7.681 9.481 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.459 5.571 8.983 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 4.009 6.099 8.533 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.735 5.509 10.102 1.00 1.62 H new ATOM 599 N PRO A 40 0.693 10.557 6.722 1.00 0.20 N ATOM 600 CA PRO A 40 -0.478 11.105 7.423 1.00 0.21 C ATOM 601 C PRO A 40 -1.734 10.902 6.568 1.00 0.17 C ATOM 602 O PRO A 40 -2.836 11.190 6.989 1.00 0.20 O ATOM 603 CB PRO A 40 -0.155 12.597 7.645 1.00 0.24 C ATOM 604 CG PRO A 40 1.266 12.853 7.067 1.00 0.25 C ATOM 605 CD PRO A 40 1.688 11.576 6.310 1.00 0.21 C ATOM 0 HA PRO A 40 -0.677 10.611 8.374 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.892 13.228 7.148 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.189 12.844 8.706 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.260 13.713 6.397 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.972 13.077 7.867 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.675 11.731 5.231 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.701 11.273 6.576 1.00 0.21 H new ATOM 613 N PHE A 41 -1.565 10.401 5.370 1.00 0.14 N ATOM 614 CA PHE A 41 -2.732 10.157 4.467 1.00 0.14 C ATOM 615 C PHE A 41 -2.916 8.650 4.287 1.00 0.11 C ATOM 616 O PHE A 41 -3.774 8.046 4.894 1.00 0.13 O ATOM 617 CB PHE A 41 -2.459 10.803 3.104 1.00 0.15 C ATOM 618 CG PHE A 41 -2.697 12.290 3.199 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.688 13.133 3.697 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.933 12.829 2.793 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.913 14.520 3.789 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.158 14.216 2.886 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.148 15.061 3.384 1.00 0.27 C ATOM 0 H PHE A 41 -0.659 10.148 4.975 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.634 10.589 4.901 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.432 10.607 2.795 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.109 10.367 2.345 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.741 12.717 4.009 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.707 12.180 2.411 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.138 15.169 4.170 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.105 14.631 2.575 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.321 16.125 3.455 1.00 0.27 H new ATOM 633 N PHE A 42 -2.112 8.049 3.454 1.00 0.10 N ATOM 634 CA PHE A 42 -2.221 6.580 3.202 1.00 0.11 C ATOM 635 C PHE A 42 -2.469 5.822 4.513 1.00 0.11 C ATOM 636 O PHE A 42 -3.439 5.104 4.648 1.00 0.12 O ATOM 637 CB PHE A 42 -0.917 6.098 2.565 1.00 0.13 C ATOM 638 CG PHE A 42 -0.940 4.597 2.413 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.607 4.016 1.321 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.284 3.778 3.355 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.622 2.622 1.168 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.302 2.378 3.201 1.00 0.10 C ATOM 643 CZ PHE A 42 -0.971 1.800 2.106 1.00 0.10 C ATOM 0 H PHE A 42 -1.374 8.518 2.929 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.062 6.389 2.535 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.783 6.568 1.591 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.069 6.396 3.182 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.108 4.643 0.599 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.231 4.223 4.193 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.135 2.178 0.328 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.197 1.749 3.923 1.00 0.10 H new ATOM 0 HZ PHE A 42 -0.985 0.727 1.986 1.00 0.10 H new ATOM 653 N HIS A 43 -1.605 5.972 5.476 1.00 0.14 N ATOM 654 CA HIS A 43 -1.801 5.255 6.768 1.00 0.16 C ATOM 655 C HIS A 43 -3.045 5.805 7.488 1.00 0.16 C ATOM 656 O HIS A 43 -3.728 5.087 8.190 1.00 0.18 O ATOM 657 CB HIS A 43 -0.517 5.399 7.620 1.00 0.21 C ATOM 658 CG HIS A 43 -0.819 5.347 9.094 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.701 4.184 9.837 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.259 6.312 9.969 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.066 4.472 11.100 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.415 5.755 11.235 1.00 0.39 N ATOM 0 H HIS A 43 -0.772 6.559 5.426 1.00 0.14 H new ATOM 0 HA HIS A 43 -1.975 4.193 6.595 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.182 4.603 7.363 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.026 6.343 7.382 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.454 7.343 9.713 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.076 3.754 11.906 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.729 6.225 12.084 1.00 0.39 H new ATOM 670 N SER A 44 -3.352 7.062 7.317 1.00 0.20 N ATOM 671 CA SER A 44 -4.558 7.628 7.993 1.00 0.25 C ATOM 672 C SER A 44 -5.835 6.993 7.421 1.00 0.20 C ATOM 673 O SER A 44 -6.776 6.724 8.142 1.00 0.21 O ATOM 674 CB SER A 44 -4.596 9.143 7.786 1.00 0.34 C ATOM 675 OG SER A 44 -3.667 9.758 8.670 1.00 0.97 O ATOM 0 H SER A 44 -2.825 7.719 6.742 1.00 0.20 H new ATOM 0 HA SER A 44 -4.504 7.408 9.059 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.350 9.387 6.753 1.00 0.34 H new ATOM 0 HB3 SER A 44 -5.600 9.523 7.973 1.00 0.34 H new ATOM 0 HG SER A 44 -3.379 10.617 8.296 1.00 0.97 H new ATOM 681 N LEU A 45 -5.886 6.758 6.133 1.00 0.18 N ATOM 682 CA LEU A 45 -7.116 6.151 5.535 1.00 0.18 C ATOM 683 C LEU A 45 -7.530 4.921 6.347 1.00 0.16 C ATOM 684 O LEU A 45 -8.620 4.406 6.194 1.00 0.23 O ATOM 685 CB LEU A 45 -6.845 5.724 4.084 1.00 0.19 C ATOM 686 CG LEU A 45 -6.433 6.929 3.223 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.271 6.470 1.770 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.503 8.035 3.295 1.00 0.50 C ATOM 0 H LEU A 45 -5.134 6.959 5.473 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.915 6.892 5.551 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.057 4.972 4.064 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.738 5.261 3.664 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.492 7.331 3.598 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.979 7.318 1.151 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.502 5.699 1.716 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.217 6.066 1.409 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.195 8.880 2.680 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.453 7.647 2.928 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.619 8.362 4.328 1.00 0.50 H new ATOM 700 N SER A 46 -6.674 4.445 7.209 1.00 0.20 N ATOM 701 CA SER A 46 -7.033 3.250 8.024 1.00 0.25 C ATOM 702 C SER A 46 -8.322 3.530 8.802 1.00 0.17 C ATOM 703 O SER A 46 -9.103 2.638 9.069 1.00 0.15 O ATOM 704 CB SER A 46 -5.903 2.946 9.008 1.00 0.36 C ATOM 705 OG SER A 46 -4.709 2.681 8.285 1.00 0.51 O ATOM 0 H SER A 46 -5.746 4.830 7.384 1.00 0.20 H new ATOM 0 HA SER A 46 -7.184 2.394 7.366 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.754 3.790 9.681 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.165 2.088 9.627 1.00 0.36 H new ATOM 0 HG SER A 46 -4.047 3.377 8.480 1.00 0.51 H new ATOM 711 N GLU A 47 -8.546 4.764 9.177 1.00 0.21 N ATOM 712 CA GLU A 47 -9.778 5.109 9.949 1.00 0.21 C ATOM 713 C GLU A 47 -10.874 5.602 9.001 1.00 0.18 C ATOM 714 O GLU A 47 -12.035 5.649 9.355 1.00 0.18 O ATOM 715 CB GLU A 47 -9.446 6.218 10.952 1.00 0.32 C ATOM 716 CG GLU A 47 -8.137 5.886 11.671 1.00 0.39 C ATOM 717 CD GLU A 47 -7.987 6.783 12.902 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.955 6.920 13.632 1.00 1.98 O ATOM 719 OE2 GLU A 47 -6.907 7.317 13.093 1.00 2.00 O ATOM 0 H GLU A 47 -7.926 5.550 8.981 1.00 0.21 H new ATOM 0 HA GLU A 47 -10.132 4.221 10.473 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.357 7.174 10.436 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.254 6.321 11.676 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -8.130 4.838 11.969 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.293 6.032 10.997 1.00 0.39 H new ATOM 726 N LYS A 48 -10.520 5.986 7.803 1.00 0.18 N ATOM 727 CA LYS A 48 -11.550 6.489 6.844 1.00 0.17 C ATOM 728 C LYS A 48 -12.089 5.329 6.005 1.00 0.15 C ATOM 729 O LYS A 48 -13.191 5.385 5.496 1.00 0.18 O ATOM 730 CB LYS A 48 -10.914 7.534 5.924 1.00 0.21 C ATOM 731 CG LYS A 48 -12.009 8.299 5.173 1.00 0.26 C ATOM 732 CD LYS A 48 -11.383 9.463 4.401 1.00 1.09 C ATOM 733 CE LYS A 48 -12.436 10.101 3.493 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.677 10.364 4.276 1.00 2.16 N ATOM 0 H LYS A 48 -9.564 5.974 7.447 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.373 6.940 7.399 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.309 8.227 6.509 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.245 7.048 5.214 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.528 7.631 4.486 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.753 8.674 5.876 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.990 10.205 5.097 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -10.542 9.107 3.806 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -12.054 11.032 3.074 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -12.656 9.441 2.654 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -14.251 11.080 3.786 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -14.224 9.484 4.366 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -13.423 10.712 5.223 1.00 2.16 H new ATOM 748 N TYR A 49 -11.322 4.277 5.858 1.00 0.13 N ATOM 749 CA TYR A 49 -11.787 3.103 5.052 1.00 0.13 C ATOM 750 C TYR A 49 -11.464 1.809 5.797 1.00 0.11 C ATOM 751 O TYR A 49 -10.604 1.049 5.401 1.00 0.11 O ATOM 752 CB TYR A 49 -11.080 3.102 3.693 1.00 0.15 C ATOM 753 CG TYR A 49 -11.705 4.149 2.806 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.952 3.898 2.209 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.049 5.374 2.584 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.547 4.868 1.386 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.642 6.349 1.762 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.893 6.098 1.161 1.00 0.21 C ATOM 759 OH TYR A 49 -13.477 7.053 0.355 1.00 0.24 O ATOM 0 H TYR A 49 -10.391 4.179 6.262 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.864 3.173 4.900 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.017 3.306 3.823 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.161 2.119 3.228 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.454 2.958 2.383 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.091 5.565 3.044 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.504 4.673 0.926 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.140 7.290 1.591 1.00 0.20 H new ATOM 0 HH TYR A 49 -12.895 7.840 0.307 1.00 0.24 H new ATOM 769 N SER A 50 -12.158 1.546 6.868 1.00 0.12 N ATOM 770 CA SER A 50 -11.904 0.294 7.628 1.00 0.13 C ATOM 771 C SER A 50 -12.322 -0.896 6.766 1.00 0.13 C ATOM 772 O SER A 50 -12.147 -2.040 7.133 1.00 0.14 O ATOM 773 CB SER A 50 -12.724 0.307 8.916 1.00 0.16 C ATOM 774 OG SER A 50 -14.104 0.197 8.595 1.00 0.17 O ATOM 0 H SER A 50 -12.890 2.145 7.249 1.00 0.12 H new ATOM 0 HA SER A 50 -10.846 0.217 7.878 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.422 -0.518 9.561 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.540 1.228 9.469 1.00 0.16 H new ATOM 0 HG SER A 50 -14.633 0.203 9.420 1.00 0.17 H new ATOM 780 N ASN A 51 -12.887 -0.625 5.618 1.00 0.13 N ATOM 781 CA ASN A 51 -13.338 -1.720 4.712 1.00 0.15 C ATOM 782 C ASN A 51 -12.261 -2.002 3.663 1.00 0.13 C ATOM 783 O ASN A 51 -12.415 -2.868 2.824 1.00 0.14 O ATOM 784 CB ASN A 51 -14.627 -1.282 4.017 1.00 0.17 C ATOM 785 CG ASN A 51 -15.198 -2.448 3.206 1.00 0.20 C ATOM 786 OD1 ASN A 51 -16.083 -3.145 3.663 1.00 0.34 O ATOM 787 ND2 ASN A 51 -14.726 -2.693 2.014 1.00 0.32 N ATOM 0 H ASN A 51 -13.056 0.318 5.267 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.515 -2.627 5.290 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.355 -0.950 4.757 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.428 -0.434 3.362 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.100 -3.469 1.467 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -13.983 -2.109 1.630 1.00 0.32 H new ATOM 794 N VAL A 52 -11.169 -1.277 3.708 1.00 0.11 N ATOM 795 CA VAL A 52 -10.062 -1.490 2.720 1.00 0.10 C ATOM 796 C VAL A 52 -8.800 -1.927 3.459 1.00 0.10 C ATOM 797 O VAL A 52 -8.580 -1.569 4.599 1.00 0.11 O ATOM 798 CB VAL A 52 -9.783 -0.183 1.981 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.592 -0.371 1.034 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.025 0.217 1.181 1.00 0.12 C ATOM 0 H VAL A 52 -10.995 -0.541 4.392 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.355 -2.260 2.006 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.545 0.602 2.699 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.395 0.563 0.508 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.711 -0.656 1.609 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.822 -1.153 0.311 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.832 1.150 0.651 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.262 -0.567 0.461 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.867 0.353 1.860 1.00 0.12 H new ATOM 810 N ILE A 53 -7.973 -2.711 2.819 1.00 0.09 N ATOM 811 CA ILE A 53 -6.719 -3.195 3.474 1.00 0.09 C ATOM 812 C ILE A 53 -5.535 -2.331 3.012 1.00 0.09 C ATOM 813 O ILE A 53 -5.373 -2.067 1.837 1.00 0.14 O ATOM 814 CB ILE A 53 -6.473 -4.652 3.061 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.799 -5.441 3.075 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.443 -5.303 3.997 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.574 -5.231 4.386 1.00 0.17 C ATOM 0 H ILE A 53 -8.112 -3.040 1.864 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.818 -3.126 4.557 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.074 -4.669 2.047 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.417 -5.128 2.233 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.592 -6.503 2.941 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.277 -6.337 3.693 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.503 -4.754 3.942 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.817 -5.281 5.021 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.501 -5.803 4.356 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -7.966 -5.568 5.226 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.805 -4.173 4.507 1.00 0.17 H new ATOM 829 N PHE A 54 -4.708 -1.899 3.932 1.00 0.08 N ATOM 830 CA PHE A 54 -3.520 -1.054 3.574 1.00 0.08 C ATOM 831 C PHE A 54 -2.242 -1.782 3.992 1.00 0.08 C ATOM 832 O PHE A 54 -2.132 -2.272 5.098 1.00 0.11 O ATOM 833 CB PHE A 54 -3.606 0.279 4.318 1.00 0.08 C ATOM 834 CG PHE A 54 -4.804 1.050 3.816 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.798 1.575 2.512 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.927 1.238 4.645 1.00 0.09 C ATOM 837 CE1 PHE A 54 -5.912 2.290 2.034 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.043 1.952 4.168 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.035 2.478 2.861 1.00 0.09 C ATOM 0 H PHE A 54 -4.804 -2.097 4.928 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.507 -0.874 2.499 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.693 0.106 5.391 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.695 0.856 4.161 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -3.937 1.429 1.876 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.932 0.834 5.647 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -5.905 2.694 1.033 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.904 2.096 4.803 1.00 0.09 H new ATOM 0 HZ PHE A 54 -7.891 3.025 2.494 1.00 0.09 H new ATOM 849 N LEU A 55 -1.276 -1.862 3.111 1.00 0.08 N ATOM 850 CA LEU A 55 0.010 -2.563 3.431 1.00 0.09 C ATOM 851 C LEU A 55 1.151 -1.538 3.426 1.00 0.09 C ATOM 852 O LEU A 55 0.973 -0.396 3.052 1.00 0.10 O ATOM 853 CB LEU A 55 0.291 -3.634 2.360 1.00 0.10 C ATOM 854 CG LEU A 55 -0.503 -4.923 2.644 1.00 0.11 C ATOM 855 CD1 LEU A 55 -1.999 -4.612 2.832 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.310 -5.890 1.464 1.00 0.12 C ATOM 0 H LEU A 55 -1.323 -1.467 2.172 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.064 -3.036 4.410 1.00 0.09 H new ATOM 0 HB2 LEU A 55 0.024 -3.248 1.376 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.357 -3.858 2.336 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.136 -5.378 3.564 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.541 -5.537 3.031 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.126 -3.929 3.672 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.391 -4.150 1.926 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.867 -6.808 1.651 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.675 -5.424 0.549 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.749 -6.124 1.355 1.00 0.12 H new ATOM 868 N GLU A 56 2.326 -1.947 3.827 1.00 0.09 N ATOM 869 CA GLU A 56 3.495 -1.014 3.839 1.00 0.09 C ATOM 870 C GLU A 56 4.746 -1.811 3.456 1.00 0.09 C ATOM 871 O GLU A 56 4.877 -2.968 3.806 1.00 0.10 O ATOM 872 CB GLU A 56 3.658 -0.413 5.243 1.00 0.09 C ATOM 873 CG GLU A 56 4.573 0.818 5.188 1.00 0.11 C ATOM 874 CD GLU A 56 4.473 1.589 6.507 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.383 1.653 7.052 1.00 1.31 O ATOM 876 OE2 GLU A 56 5.487 2.106 6.948 1.00 1.24 O ATOM 0 H GLU A 56 2.529 -2.893 4.149 1.00 0.09 H new ATOM 0 HA GLU A 56 3.342 -0.200 3.130 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.683 -0.133 5.643 1.00 0.09 H new ATOM 0 HB3 GLU A 56 4.078 -1.158 5.919 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.604 0.510 5.012 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.286 1.461 4.356 1.00 0.11 H new ATOM 883 N VAL A 57 5.654 -1.218 2.720 1.00 0.08 N ATOM 884 CA VAL A 57 6.882 -1.961 2.291 1.00 0.08 C ATOM 885 C VAL A 57 8.113 -1.048 2.375 1.00 0.09 C ATOM 886 O VAL A 57 8.083 0.101 1.980 1.00 0.14 O ATOM 887 CB VAL A 57 6.687 -2.437 0.835 1.00 0.09 C ATOM 888 CG1 VAL A 57 8.040 -2.781 0.192 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.789 -3.680 0.815 1.00 0.09 C ATOM 0 H VAL A 57 5.599 -0.252 2.397 1.00 0.08 H new ATOM 0 HA VAL A 57 7.039 -2.816 2.948 1.00 0.08 H new ATOM 0 HB VAL A 57 6.220 -1.632 0.268 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.881 -3.114 -0.834 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.678 -1.897 0.192 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.522 -3.576 0.761 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.653 -4.014 -0.214 1.00 0.09 H new ATOM 0 HG22 VAL A 57 6.256 -4.475 1.396 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.819 -3.435 1.248 1.00 0.09 H new ATOM 899 N ASP A 58 9.208 -1.581 2.860 1.00 0.09 N ATOM 900 CA ASP A 58 10.473 -0.790 2.948 1.00 0.09 C ATOM 901 C ASP A 58 11.341 -1.165 1.740 1.00 0.10 C ATOM 902 O ASP A 58 11.939 -2.222 1.698 1.00 0.11 O ATOM 903 CB ASP A 58 11.205 -1.140 4.251 1.00 0.11 C ATOM 904 CG ASP A 58 12.218 -0.042 4.586 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.790 1.039 4.957 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.404 -0.301 4.468 1.00 1.08 O ATOM 0 H ASP A 58 9.279 -2.539 3.202 1.00 0.09 H new ATOM 0 HA ASP A 58 10.263 0.280 2.945 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.488 -1.247 5.065 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.714 -2.098 4.147 1.00 0.11 H new ATOM 911 N VAL A 59 11.389 -0.321 0.747 1.00 0.12 N ATOM 912 CA VAL A 59 12.189 -0.642 -0.476 1.00 0.15 C ATOM 913 C VAL A 59 13.674 -0.795 -0.137 1.00 0.18 C ATOM 914 O VAL A 59 14.469 -1.157 -0.982 1.00 0.27 O ATOM 915 CB VAL A 59 12.017 0.478 -1.502 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.575 0.484 -2.012 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.333 1.824 -0.847 1.00 0.22 C ATOM 0 H VAL A 59 10.909 0.579 0.726 1.00 0.12 H new ATOM 0 HA VAL A 59 11.829 -1.586 -0.886 1.00 0.15 H new ATOM 0 HB VAL A 59 12.697 0.313 -2.337 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.451 1.282 -2.744 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.350 -0.475 -2.479 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.894 0.649 -1.177 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.210 2.622 -1.579 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.654 1.990 -0.011 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.361 1.820 -0.484 1.00 0.22 H new ATOM 927 N ASP A 60 14.064 -0.514 1.081 1.00 0.16 N ATOM 928 CA ASP A 60 15.511 -0.634 1.459 1.00 0.18 C ATOM 929 C ASP A 60 15.752 -1.911 2.270 1.00 0.17 C ATOM 930 O ASP A 60 16.712 -2.621 2.050 1.00 0.18 O ATOM 931 CB ASP A 60 15.911 0.573 2.305 1.00 0.21 C ATOM 932 CG ASP A 60 15.927 1.828 1.432 1.00 0.24 C ATOM 933 OD1 ASP A 60 14.884 2.449 1.302 1.00 1.11 O ATOM 934 OD2 ASP A 60 16.980 2.147 0.907 1.00 1.08 O ATOM 0 H ASP A 60 13.445 -0.207 1.832 1.00 0.16 H new ATOM 0 HA ASP A 60 16.108 -0.674 0.548 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.210 0.700 3.130 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.895 0.411 2.745 1.00 0.21 H new ATOM 939 N ASP A 61 14.902 -2.200 3.221 1.00 0.17 N ATOM 940 CA ASP A 61 15.097 -3.422 4.062 1.00 0.17 C ATOM 941 C ASP A 61 14.298 -4.591 3.472 1.00 0.16 C ATOM 942 O ASP A 61 14.519 -5.735 3.818 1.00 0.18 O ATOM 943 CB ASP A 61 14.625 -3.118 5.493 1.00 0.19 C ATOM 944 CG ASP A 61 14.369 -4.419 6.266 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.313 -4.947 6.828 1.00 1.07 O ATOM 946 OD2 ASP A 61 13.232 -4.861 6.279 1.00 1.12 O ATOM 0 H ASP A 61 14.080 -1.643 3.453 1.00 0.17 H new ATOM 0 HA ASP A 61 16.151 -3.700 4.079 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.377 -2.523 6.011 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.713 -2.522 5.462 1.00 0.19 H new ATOM 951 N ALA A 62 13.373 -4.314 2.586 1.00 0.16 N ATOM 952 CA ALA A 62 12.552 -5.405 1.966 1.00 0.16 C ATOM 953 C ALA A 62 12.654 -5.309 0.440 1.00 0.16 C ATOM 954 O ALA A 62 11.671 -5.407 -0.266 1.00 0.15 O ATOM 955 CB ALA A 62 11.091 -5.242 2.403 1.00 0.17 C ATOM 0 H ALA A 62 13.149 -3.373 2.262 1.00 0.16 H new ATOM 0 HA ALA A 62 12.920 -6.379 2.289 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.487 -6.032 1.956 1.00 0.17 H new ATOM 0 HB2 ALA A 62 11.027 -5.307 3.489 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.719 -4.271 2.075 1.00 0.17 H new ATOM 961 N GLN A 63 13.840 -5.112 -0.071 1.00 0.20 N ATOM 962 CA GLN A 63 14.012 -5.003 -1.547 1.00 0.22 C ATOM 963 C GLN A 63 13.473 -6.260 -2.237 1.00 0.20 C ATOM 964 O GLN A 63 13.335 -6.298 -3.443 1.00 0.20 O ATOM 965 CB GLN A 63 15.496 -4.840 -1.883 1.00 0.29 C ATOM 966 CG GLN A 63 16.316 -5.893 -1.130 1.00 0.90 C ATOM 967 CD GLN A 63 17.713 -5.992 -1.747 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.562 -5.161 -1.493 1.00 2.17 O ATOM 969 NE2 GLN A 63 17.988 -6.981 -2.553 1.00 2.22 N ATOM 0 H GLN A 63 14.699 -5.022 0.472 1.00 0.20 H new ATOM 0 HA GLN A 63 13.457 -4.134 -1.901 1.00 0.22 H new ATOM 0 HB2 GLN A 63 15.649 -4.946 -2.957 1.00 0.29 H new ATOM 0 HB3 GLN A 63 15.833 -3.840 -1.610 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.391 -5.625 -0.076 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.817 -6.861 -1.178 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.275 -7.679 -2.766 1.00 2.22 H new ATOM 0 HE22 GLN A 63 18.916 -7.056 -2.970 1.00 2.22 H new ATOM 978 N ASP A 64 13.166 -7.289 -1.494 1.00 0.19 N ATOM 979 CA ASP A 64 12.639 -8.525 -2.136 1.00 0.20 C ATOM 980 C ASP A 64 11.240 -8.247 -2.686 1.00 0.17 C ATOM 981 O ASP A 64 10.890 -8.691 -3.761 1.00 0.19 O ATOM 982 CB ASP A 64 12.586 -9.661 -1.106 1.00 0.22 C ATOM 983 CG ASP A 64 12.129 -9.113 0.245 1.00 0.23 C ATOM 984 OD1 ASP A 64 11.163 -8.373 0.264 1.00 1.11 O ATOM 985 OD2 ASP A 64 12.754 -9.444 1.239 1.00 1.09 O ATOM 0 H ASP A 64 13.257 -7.327 -0.479 1.00 0.19 H new ATOM 0 HA ASP A 64 13.295 -8.824 -2.954 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.901 -10.439 -1.444 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.569 -10.122 -1.008 1.00 0.22 H new ATOM 990 N VAL A 65 10.442 -7.500 -1.974 1.00 0.15 N ATOM 991 CA VAL A 65 9.080 -7.188 -2.487 1.00 0.16 C ATOM 992 C VAL A 65 9.219 -6.163 -3.615 1.00 0.16 C ATOM 993 O VAL A 65 8.581 -6.262 -4.645 1.00 0.19 O ATOM 994 CB VAL A 65 8.214 -6.609 -1.356 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.732 -6.733 -1.734 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.486 -7.372 -0.046 1.00 0.18 C ATOM 0 H VAL A 65 10.672 -7.095 -1.066 1.00 0.15 H new ATOM 0 HA VAL A 65 8.601 -8.094 -2.859 1.00 0.16 H new ATOM 0 HB VAL A 65 8.463 -5.558 -1.211 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.117 -6.323 -0.933 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.544 -6.181 -2.655 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.481 -7.783 -1.883 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.870 -6.957 0.751 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.243 -8.426 -0.182 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.538 -7.274 0.221 1.00 0.18 H new ATOM 1006 N ALA A 66 10.065 -5.185 -3.427 1.00 0.16 N ATOM 1007 CA ALA A 66 10.271 -4.156 -4.483 1.00 0.18 C ATOM 1008 C ALA A 66 10.846 -4.832 -5.728 1.00 0.19 C ATOM 1009 O ALA A 66 10.505 -4.495 -6.845 1.00 0.20 O ATOM 1010 CB ALA A 66 11.254 -3.096 -3.980 1.00 0.22 C ATOM 0 H ALA A 66 10.624 -5.056 -2.583 1.00 0.16 H new ATOM 0 HA ALA A 66 9.321 -3.680 -4.725 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.404 -2.343 -4.754 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.851 -2.622 -3.085 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.208 -3.568 -3.743 1.00 0.22 H new ATOM 1016 N SER A 67 11.715 -5.789 -5.542 1.00 0.21 N ATOM 1017 CA SER A 67 12.311 -6.492 -6.712 1.00 0.26 C ATOM 1018 C SER A 67 11.206 -7.235 -7.465 1.00 0.26 C ATOM 1019 O SER A 67 11.124 -7.188 -8.677 1.00 0.29 O ATOM 1020 CB SER A 67 13.363 -7.490 -6.226 1.00 0.31 C ATOM 1021 OG SER A 67 14.532 -6.783 -5.832 1.00 1.29 O ATOM 0 H SER A 67 12.037 -6.114 -4.630 1.00 0.21 H new ATOM 0 HA SER A 67 12.783 -5.768 -7.376 1.00 0.26 H new ATOM 0 HB2 SER A 67 12.973 -8.068 -5.388 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.602 -8.199 -7.018 1.00 0.31 H new ATOM 0 HG SER A 67 14.416 -6.440 -4.921 1.00 1.29 H new ATOM 1027 N GLU A 68 10.352 -7.917 -6.752 1.00 0.26 N ATOM 1028 CA GLU A 68 9.246 -8.664 -7.416 1.00 0.30 C ATOM 1029 C GLU A 68 8.314 -7.674 -8.121 1.00 0.31 C ATOM 1030 O GLU A 68 7.824 -7.932 -9.203 1.00 0.36 O ATOM 1031 CB GLU A 68 8.459 -9.442 -6.356 1.00 0.31 C ATOM 1032 CG GLU A 68 7.385 -10.302 -7.029 1.00 0.39 C ATOM 1033 CD GLU A 68 6.570 -11.029 -5.958 1.00 1.43 C ATOM 1034 OE1 GLU A 68 5.731 -10.390 -5.345 1.00 2.20 O ATOM 1035 OE2 GLU A 68 6.801 -12.211 -5.768 1.00 2.19 O ATOM 0 H GLU A 68 10.373 -7.989 -5.735 1.00 0.26 H new ATOM 0 HA GLU A 68 9.658 -9.357 -8.149 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.135 -10.074 -5.780 1.00 0.31 H new ATOM 0 HB3 GLU A 68 7.995 -8.749 -5.654 1.00 0.31 H new ATOM 0 HG2 GLU A 68 6.731 -9.677 -7.637 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.850 -11.024 -7.700 1.00 0.39 H new ATOM 1042 N ALA A 69 8.060 -6.545 -7.513 1.00 0.29 N ATOM 1043 CA ALA A 69 7.150 -5.541 -8.144 1.00 0.31 C ATOM 1044 C ALA A 69 7.953 -4.629 -9.078 1.00 0.29 C ATOM 1045 O ALA A 69 7.414 -3.734 -9.698 1.00 0.33 O ATOM 1046 CB ALA A 69 6.494 -4.697 -7.048 1.00 0.31 C ATOM 0 H ALA A 69 8.443 -6.274 -6.607 1.00 0.29 H new ATOM 0 HA ALA A 69 6.383 -6.058 -8.720 1.00 0.31 H new ATOM 0 HB1 ALA A 69 5.829 -3.963 -7.503 1.00 0.31 H new ATOM 0 HB2 ALA A 69 5.920 -5.344 -6.385 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.265 -4.182 -6.475 1.00 0.31 H new ATOM 1052 N GLU A 70 9.233 -4.851 -9.186 1.00 0.27 N ATOM 1053 CA GLU A 70 10.067 -4.000 -10.085 1.00 0.29 C ATOM 1054 C GLU A 70 9.785 -2.520 -9.813 1.00 0.25 C ATOM 1055 O GLU A 70 9.422 -1.775 -10.702 1.00 0.26 O ATOM 1056 CB GLU A 70 9.731 -4.319 -11.544 1.00 0.38 C ATOM 1057 CG GLU A 70 9.917 -5.815 -11.800 1.00 1.18 C ATOM 1058 CD GLU A 70 9.465 -6.149 -13.223 1.00 1.61 C ATOM 1059 OE1 GLU A 70 8.510 -5.540 -13.678 1.00 2.06 O ATOM 1060 OE2 GLU A 70 10.082 -7.005 -13.834 1.00 2.34 O ATOM 0 H GLU A 70 9.740 -5.585 -8.691 1.00 0.27 H new ATOM 0 HA GLU A 70 11.120 -4.206 -9.895 1.00 0.29 H new ATOM 0 HB2 GLU A 70 8.704 -4.028 -11.763 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.374 -3.743 -12.210 1.00 0.38 H new ATOM 0 HG2 GLU A 70 10.963 -6.091 -11.665 1.00 1.18 H new ATOM 0 HG3 GLU A 70 9.339 -6.393 -11.078 1.00 1.18 H new ATOM 1067 N VAL A 71 9.958 -2.082 -8.595 1.00 0.22 N ATOM 1068 CA VAL A 71 9.709 -0.647 -8.276 1.00 0.19 C ATOM 1069 C VAL A 71 10.904 0.186 -8.741 1.00 0.23 C ATOM 1070 O VAL A 71 12.043 -0.181 -8.532 1.00 0.28 O ATOM 1071 CB VAL A 71 9.527 -0.480 -6.767 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.132 0.965 -6.464 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.423 -1.421 -6.279 1.00 0.19 C ATOM 0 H VAL A 71 10.261 -2.656 -7.808 1.00 0.22 H new ATOM 0 HA VAL A 71 8.806 -0.311 -8.786 1.00 0.19 H new ATOM 0 HB VAL A 71 10.460 -0.720 -6.258 1.00 0.18 H new ATOM 0 HG11 VAL A 71 9.001 1.089 -5.389 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.915 1.637 -6.814 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.197 1.201 -6.973 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.293 -1.302 -5.203 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.489 -1.180 -6.786 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.700 -2.452 -6.499 1.00 0.19 H new ATOM 1083 N LYS A 72 10.648 1.303 -9.378 1.00 0.24 N ATOM 1084 CA LYS A 72 11.759 2.178 -9.876 1.00 0.29 C ATOM 1085 C LYS A 72 11.600 3.588 -9.302 1.00 0.26 C ATOM 1086 O LYS A 72 12.454 4.434 -9.473 1.00 0.27 O ATOM 1087 CB LYS A 72 11.698 2.249 -11.404 1.00 0.35 C ATOM 1088 CG LYS A 72 11.642 0.835 -11.983 1.00 0.43 C ATOM 1089 CD LYS A 72 11.801 0.901 -13.504 1.00 1.16 C ATOM 1090 CE LYS A 72 11.684 -0.505 -14.096 1.00 1.66 C ATOM 1091 NZ LYS A 72 11.498 -0.408 -15.572 1.00 2.40 N ATOM 0 H LYS A 72 9.710 1.650 -9.576 1.00 0.24 H new ATOM 0 HA LYS A 72 12.716 1.763 -9.561 1.00 0.29 H new ATOM 0 HB2 LYS A 72 10.821 2.816 -11.717 1.00 0.35 H new ATOM 0 HB3 LYS A 72 12.571 2.776 -11.789 1.00 0.35 H new ATOM 0 HG2 LYS A 72 12.432 0.222 -11.550 1.00 0.43 H new ATOM 0 HG3 LYS A 72 10.694 0.362 -11.726 1.00 0.43 H new ATOM 0 HD2 LYS A 72 11.037 1.551 -13.931 1.00 1.16 H new ATOM 0 HD3 LYS A 72 12.768 1.335 -13.760 1.00 1.16 H new ATOM 0 HE2 LYS A 72 12.580 -1.083 -13.869 1.00 1.66 H new ATOM 0 HE3 LYS A 72 10.842 -1.032 -13.646 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 11.418 -1.363 -15.975 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 10.631 0.128 -15.778 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 12.315 0.079 -15.994 1.00 2.40 H new ATOM 1105 N ALA A 73 10.514 3.851 -8.624 1.00 0.22 N ATOM 1106 CA ALA A 73 10.312 5.217 -8.046 1.00 0.20 C ATOM 1107 C ALA A 73 9.410 5.120 -6.813 1.00 0.18 C ATOM 1108 O ALA A 73 8.413 4.435 -6.830 1.00 0.16 O ATOM 1109 CB ALA A 73 9.654 6.128 -9.104 1.00 0.21 C ATOM 0 H ALA A 73 9.762 3.186 -8.445 1.00 0.22 H new ATOM 0 HA ALA A 73 11.274 5.638 -7.755 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.506 7.123 -8.685 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.300 6.195 -9.979 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.691 5.710 -9.396 1.00 0.21 H new ATOM 1115 N THR A 74 9.742 5.821 -5.755 1.00 0.18 N ATOM 1116 CA THR A 74 8.890 5.790 -4.520 1.00 0.17 C ATOM 1117 C THR A 74 8.311 7.201 -4.296 1.00 0.17 C ATOM 1118 O THR A 74 8.954 8.172 -4.645 1.00 0.19 O ATOM 1119 CB THR A 74 9.760 5.420 -3.301 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.975 6.151 -3.365 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.085 3.909 -3.270 1.00 0.19 C ATOM 0 H THR A 74 10.568 6.415 -5.692 1.00 0.18 H new ATOM 0 HA THR A 74 8.093 5.056 -4.639 1.00 0.17 H new ATOM 0 HB THR A 74 9.203 5.667 -2.397 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.535 5.924 -2.593 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.699 3.687 -2.397 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.158 3.338 -3.216 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.627 3.635 -4.175 1.00 0.19 H new ATOM 1129 N PRO A 75 7.141 7.303 -3.692 1.00 0.17 N ATOM 1130 CA PRO A 75 6.314 6.154 -3.246 1.00 0.16 C ATOM 1131 C PRO A 75 5.587 5.533 -4.454 1.00 0.14 C ATOM 1132 O PRO A 75 5.230 6.226 -5.385 1.00 0.14 O ATOM 1133 CB PRO A 75 5.289 6.778 -2.272 1.00 0.17 C ATOM 1134 CG PRO A 75 5.382 8.325 -2.432 1.00 0.20 C ATOM 1135 CD PRO A 75 6.566 8.622 -3.376 1.00 0.19 C ATOM 0 HA PRO A 75 6.904 5.363 -2.782 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.282 6.428 -2.498 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.506 6.484 -1.245 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.455 8.725 -2.842 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.534 8.802 -1.464 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.232 9.134 -4.279 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.301 9.268 -2.896 1.00 0.19 H new ATOM 1143 N THR A 76 5.346 4.241 -4.430 1.00 0.13 N ATOM 1144 CA THR A 76 4.614 3.577 -5.561 1.00 0.12 C ATOM 1145 C THR A 76 3.336 2.959 -5.002 1.00 0.12 C ATOM 1146 O THR A 76 3.384 2.092 -4.151 1.00 0.18 O ATOM 1147 CB THR A 76 5.475 2.461 -6.189 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.826 2.878 -6.222 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.003 2.174 -7.624 1.00 0.13 C ATOM 0 H THR A 76 5.625 3.616 -3.674 1.00 0.13 H new ATOM 0 HA THR A 76 4.390 4.317 -6.329 1.00 0.12 H new ATOM 0 HB THR A 76 5.377 1.555 -5.590 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.884 3.766 -6.633 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.617 1.385 -8.058 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.961 1.855 -7.607 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.096 3.078 -8.225 1.00 0.13 H new ATOM 1157 N PHE A 77 2.196 3.386 -5.470 1.00 0.09 N ATOM 1158 CA PHE A 77 0.922 2.805 -4.959 1.00 0.09 C ATOM 1159 C PHE A 77 0.475 1.702 -5.902 1.00 0.09 C ATOM 1160 O PHE A 77 0.096 1.947 -7.030 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.161 3.878 -4.888 1.00 0.10 C ATOM 1162 CG PHE A 77 0.176 4.840 -3.780 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.060 4.468 -2.444 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.720 6.104 -4.077 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.246 5.362 -1.402 1.00 0.09 C ATOM 1166 CE2 PHE A 77 1.027 6.999 -3.036 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.791 6.631 -1.698 1.00 0.12 C ATOM 0 H PHE A 77 2.091 4.109 -6.181 1.00 0.09 H new ATOM 0 HA PHE A 77 1.085 2.405 -3.958 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.230 4.407 -5.838 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.134 3.420 -4.707 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.476 3.497 -2.219 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.902 6.386 -5.103 1.00 0.14 H new ATOM 0 HE1 PHE A 77 0.064 5.078 -0.376 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.444 7.969 -3.264 1.00 0.15 H new ATOM 0 HZ PHE A 77 1.026 7.318 -0.899 1.00 0.12 H new ATOM 1177 N GLN A 78 0.515 0.485 -5.438 1.00 0.07 N ATOM 1178 CA GLN A 78 0.095 -0.669 -6.277 1.00 0.07 C ATOM 1179 C GLN A 78 -1.156 -1.266 -5.646 1.00 0.06 C ATOM 1180 O GLN A 78 -1.274 -1.342 -4.439 1.00 0.07 O ATOM 1181 CB GLN A 78 1.225 -1.702 -6.303 1.00 0.08 C ATOM 1182 CG GLN A 78 2.564 -0.986 -6.508 1.00 0.12 C ATOM 1183 CD GLN A 78 3.622 -1.989 -6.975 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.653 -3.114 -6.518 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.495 -1.627 -7.876 1.00 1.03 N ATOM 0 H GLN A 78 0.826 0.238 -4.498 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.117 -0.360 -7.300 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.240 -2.265 -5.369 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.058 -2.420 -7.105 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.453 -0.191 -7.245 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.881 -0.515 -5.577 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.470 -0.682 -8.260 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.202 -2.289 -8.196 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.106 -1.647 -6.452 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.387 -2.197 -5.914 1.00 0.07 C ATOM 1196 C PHE A 79 -3.471 -3.692 -6.192 1.00 0.07 C ATOM 1197 O PHE A 79 -3.219 -4.150 -7.290 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.551 -1.478 -6.597 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.520 -0.019 -6.205 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.504 0.810 -6.699 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.492 0.504 -5.336 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.451 2.166 -6.330 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.442 1.858 -4.958 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.423 2.690 -5.456 1.00 0.11 C ATOM 0 H PHE A 79 -2.052 -1.602 -7.470 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.432 -2.041 -4.836 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.474 -1.580 -7.680 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.499 -1.928 -6.301 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.758 0.405 -7.367 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.278 -0.133 -4.958 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.668 2.803 -6.715 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.186 2.259 -4.285 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.386 3.730 -5.168 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.837 -4.451 -5.192 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.963 -5.928 -5.353 1.00 0.08 C ATOM 1216 C PHE A 80 -5.353 -6.348 -4.889 1.00 0.11 C ATOM 1217 O PHE A 80 -5.999 -5.665 -4.117 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.897 -6.635 -4.507 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.552 -6.538 -5.196 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.153 -7.535 -6.109 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.698 -5.453 -4.925 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.100 -7.445 -6.746 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.554 -5.365 -5.562 1.00 0.11 C ATOM 1224 CZ PHE A 80 0.953 -6.360 -6.471 1.00 0.14 C ATOM 0 H PHE A 80 -4.057 -4.104 -4.258 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.820 -6.203 -6.398 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.843 -6.180 -3.518 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.168 -7.681 -4.363 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.808 -8.368 -6.320 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -1.004 -4.687 -4.228 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.406 -8.209 -7.446 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.209 -4.532 -5.352 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.914 -6.292 -6.958 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.819 -7.460 -5.365 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.170 -7.938 -4.977 1.00 0.14 C ATOM 1236 C LYS A 81 -7.188 -9.456 -5.140 1.00 0.14 C ATOM 1237 O LYS A 81 -6.908 -9.975 -6.203 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.212 -7.280 -5.899 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.601 -7.302 -5.249 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.551 -6.423 -6.070 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.949 -6.439 -5.443 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.647 -7.702 -5.818 1.00 1.48 N ATOM 0 H LYS A 81 -5.318 -8.067 -6.014 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.406 -7.677 -3.945 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.920 -6.251 -6.110 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.243 -7.805 -6.854 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.979 -8.323 -5.203 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.542 -6.937 -4.224 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.172 -5.402 -6.110 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.599 -6.785 -7.097 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.874 -6.361 -4.358 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.523 -5.578 -5.786 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.669 -7.525 -5.894 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.285 -8.040 -6.733 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.474 -8.424 -5.089 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.485 -10.169 -4.091 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.502 -11.657 -4.167 1.00 0.20 C ATOM 1258 C LYS A 82 -6.138 -12.170 -4.644 1.00 0.20 C ATOM 1259 O LYS A 82 -6.038 -13.214 -5.257 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.600 -12.120 -5.138 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.968 -12.061 -4.445 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.074 -12.529 -5.408 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.514 -11.372 -6.314 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.631 -11.825 -7.191 1.00 1.67 N ATOM 0 H LYS A 82 -7.719 -9.782 -3.177 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.709 -12.060 -3.176 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.604 -11.486 -6.025 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.396 -13.137 -5.474 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.960 -12.691 -3.555 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.172 -11.043 -4.113 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.710 -13.358 -6.015 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.927 -12.900 -4.840 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -11.834 -10.523 -5.709 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.675 -11.032 -6.922 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.930 -11.041 -7.806 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.311 -12.622 -7.777 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.433 -12.129 -6.603 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.085 -11.457 -4.348 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.728 -11.918 -4.763 1.00 0.21 C ATOM 1280 C GLY A 83 -3.436 -11.511 -6.210 1.00 0.19 C ATOM 1281 O GLY A 83 -2.389 -11.826 -6.742 1.00 0.22 O ATOM 0 H GLY A 83 -5.105 -10.575 -3.837 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.975 -11.490 -4.101 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.661 -13.001 -4.664 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.347 -10.820 -6.858 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.110 -10.401 -8.283 1.00 0.17 C ATOM 1287 C GLN A 84 -3.968 -8.880 -8.372 1.00 0.16 C ATOM 1288 O GLN A 84 -4.566 -8.141 -7.618 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.295 -10.835 -9.143 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.531 -12.338 -8.966 1.00 0.23 C ATOM 1291 CD GLN A 84 -6.819 -12.743 -9.682 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -6.827 -13.673 -10.463 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -7.918 -12.079 -9.446 1.00 2.08 N ATOM 0 H GLN A 84 -5.242 -10.528 -6.465 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.193 -10.871 -8.639 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.188 -10.280 -8.857 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.100 -10.608 -10.191 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.687 -12.899 -9.369 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.600 -12.583 -7.906 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -7.911 -11.298 -8.790 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -8.784 -12.341 -9.918 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.176 -8.408 -9.302 1.00 0.17 N ATOM 1303 CA LYS A 85 -2.984 -6.936 -9.460 1.00 0.17 C ATOM 1304 C LYS A 85 -4.071 -6.374 -10.381 1.00 0.16 C ATOM 1305 O LYS A 85 -4.521 -7.037 -11.295 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.601 -6.668 -10.058 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.198 -5.220 -9.756 1.00 0.25 C ATOM 1308 CD LYS A 85 0.048 -4.834 -10.552 1.00 0.30 C ATOM 1309 CE LYS A 85 1.151 -5.882 -10.357 1.00 0.89 C ATOM 1310 NZ LYS A 85 0.880 -7.059 -11.230 1.00 1.70 N ATOM 0 H LYS A 85 -2.652 -8.983 -9.961 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.056 -6.449 -8.488 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.869 -7.358 -9.638 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.617 -6.837 -11.135 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.019 -4.548 -10.006 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.005 -5.105 -8.689 1.00 0.25 H new ATOM 0 HD2 LYS A 85 -0.200 -4.750 -11.610 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.405 -3.856 -10.229 1.00 0.30 H new ATOM 0 HE2 LYS A 85 2.123 -5.452 -10.600 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.192 -6.192 -9.313 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 0.524 -7.846 -10.651 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 0.168 -6.805 -11.944 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 1.759 -7.349 -11.705 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.504 -5.156 -10.139 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.576 -4.539 -10.990 1.00 0.16 C ATOM 1326 C VAL A 86 -5.113 -3.170 -11.515 1.00 0.18 C ATOM 1327 O VAL A 86 -5.518 -2.742 -12.578 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.845 -4.365 -10.148 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.533 -5.721 -9.968 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.470 -3.806 -8.774 1.00 0.17 C ATOM 0 H VAL A 86 -4.159 -4.561 -9.386 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.781 -5.190 -11.840 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.522 -3.677 -10.654 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.435 -5.595 -9.369 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.799 -6.126 -10.944 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.855 -6.409 -9.462 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.371 -3.681 -8.174 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.792 -4.497 -8.273 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -5.979 -2.841 -8.896 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.272 -2.475 -10.790 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.805 -1.138 -11.275 1.00 0.18 C ATOM 1342 C GLY A 87 -2.697 -0.603 -10.359 1.00 0.10 C ATOM 1343 O GLY A 87 -2.359 -1.211 -9.363 1.00 0.08 O ATOM 0 H GLY A 87 -3.891 -2.771 -9.891 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.434 -1.222 -12.297 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.640 -0.438 -11.296 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.127 0.534 -10.690 1.00 0.10 N ATOM 1348 CA GLU A 88 -1.038 1.102 -9.837 1.00 0.10 C ATOM 1349 C GLU A 88 -0.660 2.507 -10.305 1.00 0.10 C ATOM 1350 O GLU A 88 -0.924 2.897 -11.425 1.00 0.11 O ATOM 1351 CB GLU A 88 0.196 0.199 -9.922 1.00 0.17 C ATOM 1352 CG GLU A 88 0.708 0.141 -11.372 1.00 0.25 C ATOM 1353 CD GLU A 88 1.585 1.362 -11.667 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.547 1.564 -10.943 1.00 1.94 O ATOM 1355 OE2 GLU A 88 1.279 2.073 -12.609 1.00 2.04 O ATOM 0 H GLU A 88 -2.369 1.089 -11.511 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.396 1.157 -8.809 1.00 0.10 H new ATOM 0 HB2 GLU A 88 0.980 0.578 -9.266 1.00 0.17 H new ATOM 0 HB3 GLU A 88 -0.053 -0.804 -9.575 1.00 0.17 H new ATOM 0 HG2 GLU A 88 1.280 -0.774 -11.528 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.134 0.113 -12.063 1.00 0.25 H new ATOM 1362 N PHE A 89 -0.018 3.263 -9.451 1.00 0.09 N ATOM 1363 CA PHE A 89 0.410 4.637 -9.838 1.00 0.09 C ATOM 1364 C PHE A 89 1.356 5.216 -8.776 1.00 0.09 C ATOM 1365 O PHE A 89 1.099 5.139 -7.593 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.817 5.550 -10.030 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.389 5.999 -8.697 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.731 6.992 -7.940 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.588 5.434 -8.219 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.269 7.412 -6.712 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.126 5.857 -6.988 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.467 6.846 -6.235 1.00 0.11 C ATOM 0 H PHE A 89 0.228 2.985 -8.501 1.00 0.09 H new ATOM 0 HA PHE A 89 0.946 4.583 -10.786 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.534 6.423 -10.619 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.583 5.019 -10.595 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.187 7.429 -8.305 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.095 4.676 -8.797 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.763 8.170 -6.133 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.044 5.422 -6.622 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.880 7.171 -5.291 1.00 0.11 H new ATOM 1382 N SER A 90 2.451 5.804 -9.198 1.00 0.13 N ATOM 1383 CA SER A 90 3.427 6.406 -8.229 1.00 0.14 C ATOM 1384 C SER A 90 3.280 7.930 -8.244 1.00 0.14 C ATOM 1385 O SER A 90 2.360 8.468 -8.829 1.00 0.17 O ATOM 1386 CB SER A 90 4.849 6.033 -8.650 1.00 0.15 C ATOM 1387 OG SER A 90 5.272 6.900 -9.693 1.00 0.16 O ATOM 0 H SER A 90 2.713 5.894 -10.180 1.00 0.13 H new ATOM 0 HA SER A 90 3.229 6.028 -7.226 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.525 6.112 -7.799 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.881 4.997 -8.987 1.00 0.15 H new ATOM 0 HG SER A 90 6.117 7.328 -9.440 1.00 0.16 H new ATOM 1393 N GLY A 91 4.180 8.630 -7.605 1.00 0.12 N ATOM 1394 CA GLY A 91 4.096 10.122 -7.577 1.00 0.13 C ATOM 1395 C GLY A 91 3.282 10.565 -6.362 1.00 0.13 C ATOM 1396 O GLY A 91 2.200 10.069 -6.115 1.00 0.13 O ATOM 0 H GLY A 91 4.972 8.233 -7.100 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.097 10.552 -7.534 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.631 10.488 -8.492 1.00 0.13 H new ATOM 1400 N ALA A 92 3.795 11.487 -5.593 1.00 0.15 N ATOM 1401 CA ALA A 92 3.045 11.943 -4.387 1.00 0.17 C ATOM 1402 C ALA A 92 1.655 12.453 -4.788 1.00 0.15 C ATOM 1403 O ALA A 92 1.486 13.596 -5.164 1.00 0.16 O ATOM 1404 CB ALA A 92 3.825 13.064 -3.681 1.00 0.20 C ATOM 0 H ALA A 92 4.695 11.942 -5.746 1.00 0.15 H new ATOM 0 HA ALA A 92 2.929 11.100 -3.706 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.273 13.393 -2.801 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.803 12.691 -3.377 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.953 13.904 -4.364 1.00 0.20 H new ATOM 1410 N ASN A 93 0.657 11.615 -4.686 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.734 12.040 -5.032 1.00 0.13 C ATOM 1412 C ASN A 93 -1.698 11.397 -4.029 1.00 0.12 C ATOM 1413 O ASN A 93 -2.382 10.439 -4.332 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.071 11.585 -6.459 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.230 12.420 -7.005 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.370 12.581 -8.201 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.076 12.961 -6.171 1.00 1.15 N ATOM 0 H ASN A 93 0.745 10.647 -4.376 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.823 13.125 -4.985 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.197 11.694 -7.102 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.339 10.528 -6.461 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.854 13.518 -6.524 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -2.959 12.826 -5.167 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.734 11.902 -2.826 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.625 11.309 -1.790 1.00 0.20 C ATOM 1426 C LYS A 94 -4.095 11.464 -2.185 1.00 0.18 C ATOM 1427 O LYS A 94 -4.919 10.630 -1.865 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.384 11.994 -0.438 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.413 13.538 -0.589 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.982 14.104 -0.682 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.398 14.290 0.722 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.069 14.529 0.619 1.00 1.19 N ATOM 0 H LYS A 94 -1.183 12.702 -2.516 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.394 10.247 -1.708 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.146 11.680 0.275 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.421 11.682 -0.034 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.976 13.810 -1.482 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.930 13.982 0.262 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.352 13.428 -1.260 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.993 15.058 -1.209 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.881 15.131 1.220 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.592 13.406 1.329 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.515 14.354 1.542 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.476 13.886 -0.090 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.241 15.514 0.333 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.436 12.519 -2.867 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.854 12.712 -3.265 1.00 0.20 C ATOM 1448 C GLU A 95 -6.252 11.614 -4.251 1.00 0.17 C ATOM 1449 O GLU A 95 -7.399 11.225 -4.339 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.005 14.078 -3.934 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.759 15.183 -2.905 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.940 15.250 -1.936 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -7.952 15.823 -2.305 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -6.813 14.727 -0.841 1.00 1.95 O ATOM 0 H GLU A 95 -3.795 13.254 -3.165 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.496 12.663 -2.386 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.298 14.171 -4.758 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.004 14.178 -4.358 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -4.837 14.986 -2.358 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.633 16.142 -3.408 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.306 11.118 -4.995 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.608 10.048 -5.982 1.00 0.14 C ATOM 1463 C LYS A 96 -5.953 8.750 -5.252 1.00 0.12 C ATOM 1464 O LYS A 96 -6.802 8.001 -5.686 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.394 9.835 -6.887 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.715 8.777 -7.946 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.614 8.749 -9.026 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.910 9.787 -10.116 1.00 1.18 C ATOM 1469 NZ LYS A 96 -2.839 9.737 -11.152 1.00 2.05 N ATOM 0 H LYS A 96 -4.329 11.410 -4.961 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.462 10.345 -6.590 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.119 10.773 -7.369 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.537 9.519 -6.292 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.799 7.797 -7.477 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.679 8.994 -8.406 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.645 8.955 -8.572 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.554 7.754 -9.468 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.880 9.587 -10.570 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -3.962 10.784 -9.679 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -3.038 10.440 -11.892 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -1.920 9.948 -10.712 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.810 8.788 -11.576 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.311 8.466 -4.148 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.637 7.203 -3.422 1.00 0.11 C ATOM 1485 C LEU A 97 -7.144 7.153 -3.175 1.00 0.11 C ATOM 1486 O LEU A 97 -7.759 6.106 -3.218 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.926 7.155 -2.062 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.403 7.033 -2.242 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.716 7.392 -0.913 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.014 5.583 -2.658 1.00 0.13 C ATOM 0 H LEU A 97 -4.586 9.044 -3.723 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.308 6.359 -4.028 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.158 8.056 -1.494 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.297 6.309 -1.483 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.079 7.714 -3.029 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.635 7.309 -1.028 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -2.974 8.414 -0.634 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.051 6.708 -0.134 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.933 5.517 -2.780 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.335 4.884 -1.885 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.502 5.331 -3.600 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.737 8.281 -2.908 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.203 8.307 -2.644 1.00 0.14 C ATOM 1504 C GLU A 98 -9.960 7.915 -3.913 1.00 0.13 C ATOM 1505 O GLU A 98 -10.727 6.973 -3.927 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.615 9.718 -2.215 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.094 9.727 -1.812 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.402 11.004 -1.025 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -10.980 11.089 0.117 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.055 11.874 -1.577 1.00 2.15 O ATOM 0 H GLU A 98 -7.271 9.187 -2.861 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.443 7.600 -1.850 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -8.999 10.048 -1.379 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.447 10.420 -3.032 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.724 9.674 -2.700 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.322 8.850 -1.206 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.758 8.639 -4.978 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.469 8.321 -6.247 1.00 0.14 C ATOM 1519 C ALA A 99 -10.124 6.904 -6.714 1.00 0.12 C ATOM 1520 O ALA A 99 -10.976 6.177 -7.174 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.053 9.323 -7.325 1.00 0.15 C ATOM 0 H ALA A 99 -9.129 9.440 -5.024 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.543 8.383 -6.073 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.572 9.093 -8.255 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.313 10.332 -7.004 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.977 9.260 -7.485 1.00 0.15 H new ATOM 1527 N THR A 100 -8.881 6.510 -6.613 1.00 0.11 N ATOM 1528 CA THR A 100 -8.484 5.145 -7.074 1.00 0.11 C ATOM 1529 C THR A 100 -9.161 4.080 -6.214 1.00 0.10 C ATOM 1530 O THR A 100 -9.689 3.108 -6.718 1.00 0.11 O ATOM 1531 CB THR A 100 -6.965 4.995 -6.968 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.341 6.096 -7.609 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.528 3.696 -7.646 1.00 0.12 C ATOM 0 H THR A 100 -8.123 7.075 -6.231 1.00 0.11 H new ATOM 0 HA THR A 100 -8.797 5.015 -8.110 1.00 0.11 H new ATOM 0 HB THR A 100 -6.674 4.968 -5.918 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.472 6.905 -7.071 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.446 3.592 -7.569 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.010 2.850 -7.156 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.816 3.719 -8.697 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.157 4.247 -4.922 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.812 3.229 -4.051 1.00 0.11 C ATOM 1543 C ILE A 101 -11.288 3.121 -4.448 1.00 0.13 C ATOM 1544 O ILE A 101 -11.781 2.053 -4.746 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.684 3.653 -2.573 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.235 3.408 -2.092 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.663 2.836 -1.712 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.925 4.255 -0.849 1.00 0.18 C ATOM 0 H ILE A 101 -8.733 5.036 -4.433 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.330 2.260 -4.176 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.923 4.712 -2.477 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.097 2.352 -1.862 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.535 3.655 -2.890 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.570 3.138 -0.669 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.683 3.015 -2.052 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.431 1.775 -1.804 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.901 4.067 -0.527 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.042 5.312 -1.090 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.612 3.988 -0.046 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.994 4.217 -4.458 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.435 4.175 -4.836 1.00 0.17 C ATOM 1562 C ASN A 102 -13.578 3.670 -6.275 1.00 0.18 C ATOM 1563 O ASN A 102 -14.647 3.281 -6.703 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.025 5.584 -4.729 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.552 5.506 -4.773 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.117 4.430 -4.814 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.250 6.609 -4.767 1.00 1.03 N ATOM 0 H ASN A 102 -11.635 5.142 -4.220 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.967 3.501 -4.165 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.702 6.055 -3.801 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.659 6.205 -5.546 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.269 6.568 -4.797 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.777 7.512 -4.733 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.512 3.683 -7.027 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.586 3.218 -8.444 1.00 0.18 C ATOM 1576 C GLU A 103 -12.639 1.688 -8.504 1.00 0.19 C ATOM 1577 O GLU A 103 -13.567 1.108 -9.030 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.344 3.702 -9.201 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.592 3.621 -10.709 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.295 3.936 -11.455 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -9.280 3.352 -11.111 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -10.337 4.756 -12.358 1.00 2.01 O ATOM 0 H GLU A 103 -11.590 3.996 -6.722 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.489 3.625 -8.899 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.110 4.728 -8.916 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.482 3.092 -8.932 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -11.946 2.626 -10.977 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.371 4.326 -10.999 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.627 1.033 -7.997 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.585 -0.459 -8.051 1.00 0.19 C ATOM 1591 C LEU A 104 -12.216 -1.061 -6.790 1.00 0.19 C ATOM 1592 O LEU A 104 -12.010 -2.217 -6.479 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.122 -0.908 -8.160 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.464 -0.261 -9.389 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -7.945 -0.432 -9.299 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -9.976 -0.922 -10.679 1.00 0.35 C ATOM 0 H LEU A 104 -10.823 1.470 -7.545 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.150 -0.804 -8.917 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.579 -0.629 -7.257 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.071 -1.994 -8.239 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.718 0.799 -9.410 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.475 0.026 -10.169 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.578 0.050 -8.393 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.699 -1.494 -9.271 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.501 -0.453 -11.541 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -9.734 -1.985 -10.664 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.057 -0.797 -10.748 1.00 0.35 H new ATOM 1608 N VAL A 105 -12.992 -0.299 -6.066 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.634 -0.856 -4.840 1.00 0.22 C ATOM 1610 C VAL A 105 -14.624 -1.953 -5.242 1.00 0.26 C ATOM 1611 O VAL A 105 -14.712 -2.935 -4.524 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.378 0.251 -4.089 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.501 0.803 -4.968 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -14.975 -0.322 -2.802 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.274 -1.791 -6.262 1.00 1.18 O ATOM 0 H VAL A 105 -13.208 0.677 -6.268 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.865 -1.273 -4.190 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.682 1.054 -3.845 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.029 1.591 -4.431 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.078 1.210 -5.886 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.198 0.002 -5.214 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.505 0.465 -2.265 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.670 -1.125 -3.049 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.176 -0.715 -2.173 1.00 0.27 H new ATOM 1692 N ARG B 4 18.263 3.531 -1.495 1.00 0.00 N ATOM 1693 CA ARG B 4 17.955 2.757 -2.735 1.00 0.00 C ATOM 1694 C ARG B 4 17.823 3.723 -3.930 1.00 0.00 C ATOM 1695 O ARG B 4 18.815 4.256 -4.387 1.00 0.00 O ATOM 1696 CB ARG B 4 16.660 1.960 -2.504 1.00 0.00 C ATOM 1697 CG ARG B 4 16.620 0.725 -3.429 1.00 0.00 C ATOM 1698 CD ARG B 4 17.256 -0.481 -2.729 1.00 0.00 C ATOM 1699 NE ARG B 4 17.414 -1.605 -3.710 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.393 -2.101 -4.357 1.00 0.00 C ATOM 1701 NH1 ARG B 4 15.175 -1.761 -4.037 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.590 -2.985 -5.297 1.00 0.00 N ATOM 0 HA ARG B 4 18.760 2.058 -2.964 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.600 1.645 -1.462 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.795 2.595 -2.696 1.00 0.00 H new ATOM 0 HG2 ARG B 4 15.589 0.496 -3.698 1.00 0.00 H new ATOM 0 HG3 ARG B 4 17.152 0.939 -4.356 1.00 0.00 H new ATOM 0 HD2 ARG B 4 18.227 -0.205 -2.317 1.00 0.00 H new ATOM 0 HD3 ARG B 4 16.633 -0.799 -1.893 1.00 0.00 H new ATOM 0 HE ARG B 4 18.343 -1.992 -3.876 1.00 0.00 H new ATOM 0 HH11 ARG B 4 15.013 -1.102 -3.275 1.00 0.00 H new ATOM 0 HH12 ARG B 4 14.385 -2.154 -4.548 1.00 0.00 H new ATOM 0 HH21 ARG B 4 17.538 -3.286 -5.524 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.796 -3.375 -5.805 1.00 0.00 H new ATOM 1716 N TYR B 5 16.627 3.964 -4.448 1.00 0.00 N ATOM 1717 CA TYR B 5 16.481 4.903 -5.616 1.00 0.00 C ATOM 1718 C TYR B 5 15.810 6.214 -5.178 1.00 0.00 C ATOM 1719 O TYR B 5 15.558 6.448 -4.012 1.00 0.00 O ATOM 1720 CB TYR B 5 15.686 4.241 -6.761 1.00 0.00 C ATOM 1721 CG TYR B 5 14.548 3.395 -6.245 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.768 2.050 -5.894 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.256 3.940 -6.161 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.697 1.253 -5.445 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.185 3.146 -5.719 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.404 1.802 -5.357 1.00 0.00 C ATOM 1727 OH TYR B 5 11.353 1.023 -4.919 1.00 0.00 O ATOM 0 H TYR B 5 15.756 3.553 -4.113 1.00 0.00 H new ATOM 0 HA TYR B 5 17.479 5.136 -5.988 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.293 5.013 -7.422 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.357 3.622 -7.357 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.759 1.628 -5.969 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.086 4.970 -6.437 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.868 0.223 -5.169 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.192 3.566 -5.657 1.00 0.00 H new ATOM 0 HH TYR B 5 11.702 0.213 -4.492 1.00 0.00 H new ATOM 1737 N VAL B 6 15.584 7.089 -6.121 1.00 0.00 N ATOM 1738 CA VAL B 6 14.998 8.433 -5.819 1.00 0.00 C ATOM 1739 C VAL B 6 13.605 8.352 -5.190 1.00 0.00 C ATOM 1740 O VAL B 6 12.792 7.514 -5.529 1.00 0.00 O ATOM 1741 CB VAL B 6 14.888 9.230 -7.124 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.721 10.715 -6.807 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.152 9.031 -7.957 1.00 0.00 C ATOM 0 H VAL B 6 15.784 6.928 -7.108 1.00 0.00 H new ATOM 0 HA VAL B 6 15.660 8.916 -5.100 1.00 0.00 H new ATOM 0 HB VAL B 6 14.023 8.878 -7.686 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.643 11.279 -7.737 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.816 10.862 -6.217 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.584 11.066 -6.241 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.070 9.599 -8.884 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.018 9.379 -7.393 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.272 7.973 -8.189 1.00 0.00 H new ATOM 1753 N CYS B 7 13.317 9.282 -4.309 1.00 0.00 N ATOM 1754 CA CYS B 7 11.969 9.358 -3.672 1.00 0.00 C ATOM 1755 C CYS B 7 11.186 10.464 -4.376 1.00 0.00 C ATOM 1756 O CYS B 7 11.299 11.625 -4.033 1.00 0.00 O ATOM 1757 CB CYS B 7 12.103 9.715 -2.189 1.00 0.00 C ATOM 1758 SG CYS B 7 13.246 8.573 -1.375 1.00 0.00 S ATOM 0 H CYS B 7 13.972 10.001 -4.002 1.00 0.00 H new ATOM 0 HA CYS B 7 11.462 8.397 -3.758 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.463 10.738 -2.085 1.00 0.00 H new ATOM 0 HB3 CYS B 7 11.127 9.670 -1.707 1.00 0.00 H new ATOM 1763 N GLU B 8 10.412 10.130 -5.371 1.00 0.00 N ATOM 1764 CA GLU B 8 9.653 11.187 -6.102 1.00 0.00 C ATOM 1765 C GLU B 8 8.356 11.517 -5.363 1.00 0.00 C ATOM 1766 O GLU B 8 7.305 11.674 -5.960 1.00 0.00 O ATOM 1767 CB GLU B 8 9.332 10.705 -7.518 1.00 0.00 C ATOM 1768 CG GLU B 8 8.854 9.253 -7.468 1.00 0.00 C ATOM 1769 CD GLU B 8 8.186 8.889 -8.796 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.843 9.004 -9.818 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.030 8.501 -8.768 1.00 0.00 O ATOM 0 H GLU B 8 10.272 9.178 -5.709 1.00 0.00 H new ATOM 0 HA GLU B 8 10.266 12.087 -6.155 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.563 11.337 -7.963 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.216 10.786 -8.150 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.697 8.588 -7.278 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.151 9.119 -6.646 1.00 0.00 H new ATOM 1778 N GLY B 9 8.428 11.662 -4.073 1.00 0.00 N ATOM 1779 CA GLY B 9 7.207 12.027 -3.310 1.00 0.00 C ATOM 1780 C GLY B 9 6.870 13.487 -3.676 1.00 0.00 C ATOM 1781 O GLY B 9 6.889 13.816 -4.846 1.00 0.00 O ATOM 0 H GLY B 9 9.274 11.544 -3.516 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.380 11.364 -3.565 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.377 11.927 -2.238 1.00 0.00 H new ATOM 1785 N PRO B 10 6.597 14.348 -2.710 1.00 0.00 N ATOM 1786 CA PRO B 10 6.308 15.760 -3.023 1.00 0.00 C ATOM 1787 C PRO B 10 7.583 16.432 -3.562 1.00 0.00 C ATOM 1788 O PRO B 10 7.756 17.632 -3.463 1.00 0.00 O ATOM 1789 CB PRO B 10 5.866 16.387 -1.679 1.00 0.00 C ATOM 1790 CG PRO B 10 6.038 15.299 -0.580 1.00 0.00 C ATOM 1791 CD PRO B 10 6.537 14.011 -1.273 1.00 0.00 C ATOM 0 HA PRO B 10 5.538 15.880 -3.785 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.469 17.265 -1.448 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.829 16.718 -1.732 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.751 15.628 0.176 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.092 15.117 -0.069 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.516 13.714 -0.896 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.859 13.177 -1.091 1.00 0.00 H new ATOM 1799 N SER B 11 8.476 15.661 -4.124 1.00 0.00 N ATOM 1800 CA SER B 11 9.741 16.230 -4.667 1.00 0.00 C ATOM 1801 C SER B 11 9.513 16.713 -6.102 1.00 0.00 C ATOM 1802 O SER B 11 10.052 17.718 -6.522 1.00 0.00 O ATOM 1803 CB SER B 11 10.822 15.144 -4.656 1.00 0.00 C ATOM 1804 OG SER B 11 12.093 15.744 -4.870 1.00 0.00 O ATOM 0 H SER B 11 8.380 14.651 -4.230 1.00 0.00 H new ATOM 0 HA SER B 11 10.059 17.072 -4.053 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.813 14.615 -3.703 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.620 14.406 -5.432 1.00 0.00 H new ATOM 0 HG SER B 11 12.787 15.052 -4.862 1.00 0.00 H new