USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 903 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= 0.0126 USER MOD Set 1.2: A 36 LYS NZ :NH3+ 158:sc= 0.0138 (180deg=-0.264) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.108 (180deg=-1.07) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0354 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= -0.254 X(o=-0.25,f=-0.15) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 26:sc= -0.0158 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.16) USER MOD Single : A 43 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-2!) USER MOD Single : A 44 SER OG : rot 95:sc= 0.845 USER MOD Single : A 46 SER OG : rot 92:sc= -0.284 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.299 X(o=-0.3,f=-0.3) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 67 SER OG : rot -33:sc= -0.067 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.773 USER MOD Single : A 76 THR OG1 : rot 98:sc= 0.248! USER MOD Single : A 78 GLN : amide:sc= -2.05! C(o=-2!,f=-1.4!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.577 K(o=-0.58,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00511) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -3.13! K(o=-3.1!,f=-1.6) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.602 K(o=-0.6,f=-2.6!) USER MOD Single : B 61 THR OG1 : rot 180:sc= 0 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -2.04! K(o=-2!,f=-0.09) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.976 -1.049 10.009 1.00 1.04 N ATOM 2 CA MET A 1 -7.759 -1.452 10.767 1.00 0.78 C ATOM 3 C MET A 1 -6.568 -1.521 9.810 1.00 0.57 C ATOM 4 O MET A 1 -6.631 -2.139 8.768 1.00 0.63 O ATOM 5 CB MET A 1 -7.984 -2.827 11.401 1.00 0.79 C ATOM 6 CG MET A 1 -6.832 -3.147 12.355 1.00 1.45 C ATOM 7 SD MET A 1 -6.970 -4.865 12.911 1.00 2.32 S ATOM 8 CE MET A 1 -8.543 -4.703 13.795 1.00 2.88 C ATOM 0 H1 MET A 1 -9.788 -1.001 10.657 1.00 1.04 H new ATOM 0 H2 MET A 1 -8.822 -0.116 9.576 1.00 1.04 H new ATOM 0 H3 MET A 1 -9.168 -1.748 9.264 1.00 1.04 H new ATOM 0 HA MET A 1 -7.558 -0.721 11.550 1.00 0.78 H new ATOM 0 HB2 MET A 1 -8.931 -2.839 11.941 1.00 0.79 H new ATOM 0 HB3 MET A 1 -8.050 -3.590 10.625 1.00 0.79 H new ATOM 0 HG2 MET A 1 -5.877 -2.991 11.854 1.00 1.45 H new ATOM 0 HG3 MET A 1 -6.857 -2.473 13.211 1.00 1.45 H new ATOM 0 HE1 MET A 1 -8.624 -5.494 14.541 1.00 2.88 H new ATOM 0 HE2 MET A 1 -8.584 -3.732 14.289 1.00 2.88 H new ATOM 0 HE3 MET A 1 -9.368 -4.785 13.088 1.00 2.88 H new ATOM 20 N VAL A 2 -5.477 -0.893 10.163 1.00 0.41 N ATOM 21 CA VAL A 2 -4.269 -0.909 9.277 1.00 0.28 C ATOM 22 C VAL A 2 -3.292 -1.975 9.772 1.00 0.23 C ATOM 23 O VAL A 2 -3.278 -2.322 10.936 1.00 0.24 O ATOM 24 CB VAL A 2 -3.593 0.464 9.329 1.00 0.33 C ATOM 25 CG1 VAL A 2 -2.265 0.421 8.567 1.00 0.45 C ATOM 26 CG2 VAL A 2 -4.513 1.497 8.681 1.00 0.40 C ATOM 0 H VAL A 2 -5.368 -0.367 11.030 1.00 0.41 H new ATOM 0 HA VAL A 2 -4.565 -1.135 8.253 1.00 0.28 H new ATOM 0 HB VAL A 2 -3.401 0.734 10.367 1.00 0.33 H new ATOM 0 HG11 VAL A 2 -1.790 1.401 8.608 1.00 0.45 H new ATOM 0 HG12 VAL A 2 -1.608 -0.320 9.022 1.00 0.45 H new ATOM 0 HG13 VAL A 2 -2.451 0.151 7.527 1.00 0.45 H new ATOM 0 HG21 VAL A 2 -4.039 2.478 8.714 1.00 0.40 H new ATOM 0 HG22 VAL A 2 -4.699 1.219 7.644 1.00 0.40 H new ATOM 0 HG23 VAL A 2 -5.458 1.533 9.222 1.00 0.40 H new ATOM 36 N LYS A 3 -2.478 -2.504 8.890 1.00 0.20 N ATOM 37 CA LYS A 3 -1.495 -3.556 9.291 1.00 0.18 C ATOM 38 C LYS A 3 -0.117 -3.154 8.764 1.00 0.15 C ATOM 39 O LYS A 3 0.040 -2.830 7.603 1.00 0.16 O ATOM 40 CB LYS A 3 -1.926 -4.893 8.665 1.00 0.19 C ATOM 41 CG LYS A 3 -1.012 -6.041 9.130 1.00 0.20 C ATOM 42 CD LYS A 3 -1.371 -6.462 10.561 1.00 0.81 C ATOM 43 CE LYS A 3 -0.676 -7.781 10.898 1.00 1.03 C ATOM 44 NZ LYS A 3 -1.071 -8.204 12.272 1.00 1.67 N ATOM 0 H LYS A 3 -2.454 -2.249 7.903 1.00 0.20 H new ATOM 0 HA LYS A 3 -1.456 -3.660 10.375 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.958 -5.111 8.940 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.895 -4.816 7.578 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.115 -6.892 8.457 1.00 0.20 H new ATOM 0 HG3 LYS A 3 0.030 -5.725 9.087 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.066 -5.688 11.266 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.451 -6.573 10.658 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.953 -8.548 10.174 1.00 1.03 H new ATOM 0 HE3 LYS A 3 0.406 -7.662 10.838 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -0.601 -9.101 12.507 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -0.786 -7.474 12.956 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -2.102 -8.332 12.313 1.00 1.67 H new ATOM 58 N GLN A 4 0.885 -3.169 9.606 1.00 0.15 N ATOM 59 CA GLN A 4 2.256 -2.784 9.153 1.00 0.14 C ATOM 60 C GLN A 4 3.037 -4.051 8.812 1.00 0.12 C ATOM 61 O GLN A 4 3.204 -4.927 9.639 1.00 0.13 O ATOM 62 CB GLN A 4 2.976 -2.033 10.282 1.00 0.16 C ATOM 63 CG GLN A 4 4.340 -1.540 9.789 1.00 0.17 C ATOM 64 CD GLN A 4 5.044 -0.767 10.909 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.896 -1.090 12.071 1.00 0.29 O ATOM 66 NE2 GLN A 4 5.807 0.249 10.605 1.00 0.31 N ATOM 0 H GLN A 4 0.813 -3.432 10.589 1.00 0.15 H new ATOM 0 HA GLN A 4 2.188 -2.140 8.276 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.372 -1.188 10.613 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.105 -2.689 11.143 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.952 -2.386 9.477 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.213 -0.900 8.916 1.00 0.17 H new ATOM 0 HE21 GLN A 4 5.931 0.520 9.629 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.279 0.771 11.343 1.00 0.31 H new ATOM 75 N ILE A 5 3.527 -4.154 7.606 1.00 0.10 N ATOM 76 CA ILE A 5 4.309 -5.360 7.208 1.00 0.10 C ATOM 77 C ILE A 5 5.794 -5.020 7.266 1.00 0.10 C ATOM 78 O ILE A 5 6.289 -4.232 6.486 1.00 0.11 O ATOM 79 CB ILE A 5 3.939 -5.737 5.780 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.412 -5.803 5.635 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.551 -7.089 5.438 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.818 -6.736 6.697 1.00 0.19 C ATOM 0 H ILE A 5 3.419 -3.451 6.875 1.00 0.10 H new ATOM 0 HA ILE A 5 4.090 -6.191 7.879 1.00 0.10 H new ATOM 0 HB ILE A 5 4.326 -4.982 5.096 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.986 -4.805 5.739 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.149 -6.160 4.639 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.287 -7.360 4.416 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.636 -7.031 5.529 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.169 -7.845 6.124 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.735 -6.774 6.583 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.231 -7.737 6.574 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.066 -6.361 7.690 1.00 0.19 H new ATOM 94 N GLU A 6 6.513 -5.597 8.191 1.00 0.11 N ATOM 95 CA GLU A 6 7.964 -5.295 8.305 1.00 0.13 C ATOM 96 C GLU A 6 8.780 -6.369 7.572 1.00 0.12 C ATOM 97 O GLU A 6 9.993 -6.319 7.544 1.00 0.13 O ATOM 98 CB GLU A 6 8.341 -5.275 9.787 1.00 0.15 C ATOM 99 CG GLU A 6 7.522 -4.192 10.514 1.00 0.17 C ATOM 100 CD GLU A 6 6.143 -4.740 10.903 1.00 1.45 C ATOM 101 OE1 GLU A 6 5.860 -5.879 10.572 1.00 2.25 O ATOM 102 OE2 GLU A 6 5.393 -4.008 11.528 1.00 2.25 O ATOM 0 H GLU A 6 6.155 -6.266 8.873 1.00 0.11 H new ATOM 0 HA GLU A 6 8.180 -4.327 7.853 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.151 -6.251 10.234 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.407 -5.076 9.899 1.00 0.15 H new ATOM 0 HG2 GLU A 6 8.054 -3.861 11.406 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.406 -3.320 9.870 1.00 0.17 H new ATOM 109 N SER A 7 8.129 -7.339 6.974 1.00 0.12 N ATOM 110 CA SER A 7 8.888 -8.408 6.245 1.00 0.13 C ATOM 111 C SER A 7 8.035 -9.030 5.140 1.00 0.12 C ATOM 112 O SER A 7 6.821 -9.032 5.198 1.00 0.12 O ATOM 113 CB SER A 7 9.279 -9.515 7.226 1.00 0.15 C ATOM 114 OG SER A 7 8.099 -10.070 7.796 1.00 0.15 O ATOM 0 H SER A 7 7.114 -7.438 6.958 1.00 0.12 H new ATOM 0 HA SER A 7 9.773 -7.951 5.803 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.848 -10.289 6.712 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.922 -9.114 8.009 1.00 0.15 H new ATOM 0 HG SER A 7 8.343 -10.781 8.424 1.00 0.15 H new ATOM 120 N LYS A 8 8.675 -9.596 4.148 1.00 0.14 N ATOM 121 CA LYS A 8 7.923 -10.262 3.051 1.00 0.15 C ATOM 122 C LYS A 8 7.179 -11.456 3.633 1.00 0.15 C ATOM 123 O LYS A 8 6.105 -11.817 3.196 1.00 0.16 O ATOM 124 CB LYS A 8 8.890 -10.760 1.981 1.00 0.18 C ATOM 125 CG LYS A 8 8.087 -11.209 0.761 1.00 0.21 C ATOM 126 CD LYS A 8 9.028 -11.672 -0.359 1.00 0.43 C ATOM 127 CE LYS A 8 9.959 -12.782 0.143 1.00 0.80 C ATOM 128 NZ LYS A 8 10.446 -13.579 -1.016 1.00 1.65 N ATOM 0 H LYS A 8 9.690 -9.623 4.054 1.00 0.14 H new ATOM 0 HA LYS A 8 7.227 -9.553 2.603 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.586 -9.968 1.704 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.485 -11.588 2.366 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.415 -12.021 1.039 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.465 -10.388 0.405 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.444 -12.034 -1.205 1.00 0.43 H new ATOM 0 HD3 LYS A 8 9.619 -10.829 -0.717 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.802 -12.349 0.681 1.00 0.80 H new ATOM 0 HE3 LYS A 8 9.430 -13.426 0.845 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 11.078 -14.333 -0.678 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 9.635 -14.003 -1.511 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 10.965 -12.959 -1.670 1.00 1.65 H new ATOM 142 N THR A 9 7.760 -12.082 4.618 1.00 0.15 N ATOM 143 CA THR A 9 7.102 -13.268 5.223 1.00 0.17 C ATOM 144 C THR A 9 5.725 -12.855 5.718 1.00 0.16 C ATOM 145 O THR A 9 4.736 -13.517 5.473 1.00 0.17 O ATOM 146 CB THR A 9 7.939 -13.766 6.402 1.00 0.19 C ATOM 147 OG1 THR A 9 9.266 -14.018 5.965 1.00 0.22 O ATOM 148 CG2 THR A 9 7.332 -15.054 6.956 1.00 0.23 C ATOM 0 H THR A 9 8.658 -11.824 5.027 1.00 0.15 H new ATOM 0 HA THR A 9 7.011 -14.065 4.485 1.00 0.17 H new ATOM 0 HB THR A 9 7.950 -13.007 7.184 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.804 -14.336 6.720 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.931 -15.406 7.796 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.313 -14.861 7.292 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.318 -15.815 6.176 1.00 0.23 H new ATOM 156 N ALA A 10 5.654 -11.751 6.397 1.00 0.15 N ATOM 157 CA ALA A 10 4.343 -11.266 6.889 1.00 0.15 C ATOM 158 C ALA A 10 3.505 -10.811 5.697 1.00 0.14 C ATOM 159 O ALA A 10 2.297 -10.912 5.702 1.00 0.15 O ATOM 160 CB ALA A 10 4.554 -10.100 7.857 1.00 0.17 C ATOM 0 H ALA A 10 6.452 -11.161 6.633 1.00 0.15 H new ATOM 0 HA ALA A 10 3.825 -12.068 7.415 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.588 -9.746 8.217 1.00 0.17 H new ATOM 0 HB2 ALA A 10 5.156 -10.433 8.702 1.00 0.17 H new ATOM 0 HB3 ALA A 10 5.069 -9.289 7.343 1.00 0.17 H new ATOM 166 N PHE A 11 4.140 -10.307 4.672 1.00 0.14 N ATOM 167 CA PHE A 11 3.375 -9.836 3.484 1.00 0.13 C ATOM 168 C PHE A 11 2.565 -10.990 2.928 1.00 0.14 C ATOM 169 O PHE A 11 1.410 -10.848 2.586 1.00 0.14 O ATOM 170 CB PHE A 11 4.364 -9.365 2.407 1.00 0.14 C ATOM 171 CG PHE A 11 3.610 -8.694 1.280 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.936 -7.491 1.509 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.597 -9.271 0.002 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.241 -6.869 0.466 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.907 -8.647 -1.041 1.00 0.14 C ATOM 176 CZ PHE A 11 2.227 -7.448 -0.810 1.00 0.14 C ATOM 0 H PHE A 11 5.153 -10.202 4.607 1.00 0.14 H new ATOM 0 HA PHE A 11 2.714 -9.018 3.771 1.00 0.13 H new ATOM 0 HB2 PHE A 11 5.084 -8.670 2.840 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.930 -10.214 2.024 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.952 -7.042 2.491 1.00 0.14 H new ATOM 0 HD2 PHE A 11 4.121 -10.199 -0.176 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.715 -5.943 0.644 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.899 -9.091 -2.025 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.691 -6.968 -1.615 1.00 0.14 H new ATOM 186 N GLN A 12 3.162 -12.133 2.839 1.00 0.14 N ATOM 187 CA GLN A 12 2.426 -13.301 2.304 1.00 0.16 C ATOM 188 C GLN A 12 1.300 -13.666 3.277 1.00 0.15 C ATOM 189 O GLN A 12 0.185 -13.949 2.885 1.00 0.16 O ATOM 190 CB GLN A 12 3.400 -14.477 2.194 1.00 0.18 C ATOM 191 CG GLN A 12 4.520 -14.132 1.208 1.00 0.17 C ATOM 192 CD GLN A 12 3.930 -13.862 -0.181 1.00 0.40 C ATOM 193 OE1 GLN A 12 4.231 -12.857 -0.796 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.098 -14.721 -0.703 1.00 1.31 N ATOM 0 H GLN A 12 4.128 -12.312 3.113 1.00 0.14 H new ATOM 0 HA GLN A 12 2.004 -13.071 1.326 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.822 -14.704 3.173 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.871 -15.369 1.860 1.00 0.18 H new ATOM 0 HG2 GLN A 12 5.066 -13.256 1.557 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.235 -14.953 1.155 1.00 0.17 H new ATOM 0 HE21 GLN A 12 2.845 -15.564 -0.188 1.00 1.31 H new ATOM 0 HE22 GLN A 12 2.700 -14.549 -1.627 1.00 1.31 H new ATOM 203 N GLU A 13 1.595 -13.648 4.549 1.00 0.16 N ATOM 204 CA GLU A 13 0.570 -13.982 5.582 1.00 0.17 C ATOM 205 C GLU A 13 -0.572 -12.967 5.562 1.00 0.15 C ATOM 206 O GLU A 13 -1.726 -13.312 5.722 1.00 0.16 O ATOM 207 CB GLU A 13 1.248 -13.977 6.953 1.00 0.19 C ATOM 208 CG GLU A 13 2.260 -15.123 7.026 1.00 0.28 C ATOM 209 CD GLU A 13 1.516 -16.459 7.072 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.388 -16.470 7.537 1.00 1.67 O ATOM 211 OE2 GLU A 13 2.089 -17.448 6.647 1.00 1.77 O ATOM 0 H GLU A 13 2.515 -13.413 4.922 1.00 0.16 H new ATOM 0 HA GLU A 13 0.148 -14.965 5.371 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.750 -13.024 7.119 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.502 -14.086 7.740 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.922 -15.093 6.161 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.887 -15.013 7.911 1.00 0.28 H new ATOM 218 N ALA A 14 -0.262 -11.715 5.380 1.00 0.15 N ATOM 219 CA ALA A 14 -1.331 -10.683 5.359 1.00 0.14 C ATOM 220 C ALA A 14 -2.190 -10.874 4.112 1.00 0.13 C ATOM 221 O ALA A 14 -3.397 -10.737 4.154 1.00 0.13 O ATOM 222 CB ALA A 14 -0.703 -9.290 5.350 1.00 0.15 C ATOM 0 H ALA A 14 0.686 -11.363 5.245 1.00 0.15 H new ATOM 0 HA ALA A 14 -1.954 -10.784 6.247 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.490 -8.536 5.335 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.093 -9.160 6.244 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.077 -9.179 4.465 1.00 0.15 H new ATOM 228 N LEU A 15 -1.588 -11.204 3.002 1.00 0.12 N ATOM 229 CA LEU A 15 -2.392 -11.415 1.775 1.00 0.12 C ATOM 230 C LEU A 15 -3.362 -12.563 2.036 1.00 0.13 C ATOM 231 O LEU A 15 -4.511 -12.531 1.644 1.00 0.13 O ATOM 232 CB LEU A 15 -1.467 -11.788 0.614 1.00 0.13 C ATOM 233 CG LEU A 15 -0.649 -10.565 0.174 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.437 -11.012 -0.809 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.557 -9.515 -0.501 1.00 0.17 C ATOM 0 H LEU A 15 -0.582 -11.335 2.896 1.00 0.12 H new ATOM 0 HA LEU A 15 -2.936 -10.506 1.519 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.797 -12.593 0.917 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.056 -12.162 -0.224 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.192 -10.112 1.054 1.00 0.13 H new ATOM 0 HD11 LEU A 15 1.021 -10.147 -1.124 1.00 0.17 H new ATOM 0 HD12 LEU A 15 1.093 -11.734 -0.323 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.028 -11.473 -1.680 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -0.957 -8.657 -0.805 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.032 -9.955 -1.378 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.324 -9.191 0.203 1.00 0.17 H new ATOM 247 N ASP A 16 -2.894 -13.578 2.712 1.00 0.13 N ATOM 248 CA ASP A 16 -3.760 -14.747 3.026 1.00 0.15 C ATOM 249 C ASP A 16 -4.845 -14.356 4.041 1.00 0.15 C ATOM 250 O ASP A 16 -5.963 -14.828 3.977 1.00 0.16 O ATOM 251 CB ASP A 16 -2.890 -15.873 3.601 1.00 0.17 C ATOM 252 CG ASP A 16 -3.707 -17.164 3.699 1.00 0.19 C ATOM 253 OD1 ASP A 16 -4.644 -17.194 4.480 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.374 -18.106 2.997 1.00 1.07 O ATOM 0 H ASP A 16 -1.939 -13.646 3.063 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.250 -15.086 2.113 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.018 -16.031 2.966 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.520 -15.591 4.587 1.00 0.17 H new ATOM 259 N ALA A 17 -4.519 -13.515 4.988 1.00 0.15 N ATOM 260 CA ALA A 17 -5.526 -13.115 6.020 1.00 0.16 C ATOM 261 C ALA A 17 -6.633 -12.272 5.382 1.00 0.15 C ATOM 262 O ALA A 17 -7.787 -12.368 5.751 1.00 0.17 O ATOM 263 CB ALA A 17 -4.837 -12.299 7.116 1.00 0.18 C ATOM 0 H ALA A 17 -3.599 -13.087 5.093 1.00 0.15 H new ATOM 0 HA ALA A 17 -5.967 -14.015 6.450 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.570 -12.007 7.868 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.058 -12.902 7.583 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.391 -11.406 6.679 1.00 0.18 H new ATOM 269 N ALA A 18 -6.298 -11.450 4.428 1.00 0.14 N ATOM 270 CA ALA A 18 -7.343 -10.612 3.775 1.00 0.15 C ATOM 271 C ALA A 18 -8.371 -11.523 3.113 1.00 0.14 C ATOM 272 O ALA A 18 -9.540 -11.202 3.033 1.00 0.17 O ATOM 273 CB ALA A 18 -6.703 -9.723 2.710 1.00 0.15 C ATOM 0 H ALA A 18 -5.350 -11.322 4.073 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.826 -9.986 4.525 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.471 -9.113 2.236 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -5.961 -9.075 3.175 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.220 -10.347 1.958 1.00 0.15 H new ATOM 279 N GLY A 19 -7.945 -12.656 2.630 1.00 0.16 N ATOM 280 CA GLY A 19 -8.899 -13.583 1.971 1.00 0.20 C ATOM 281 C GLY A 19 -9.416 -12.947 0.679 1.00 0.16 C ATOM 282 O GLY A 19 -8.654 -12.584 -0.194 1.00 0.17 O ATOM 0 H GLY A 19 -6.978 -12.978 2.664 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.409 -14.531 1.751 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.731 -13.802 2.640 1.00 0.20 H new ATOM 286 N ASP A 20 -10.709 -12.821 0.545 1.00 0.15 N ATOM 287 CA ASP A 20 -11.287 -12.224 -0.695 1.00 0.14 C ATOM 288 C ASP A 20 -11.484 -10.711 -0.536 1.00 0.12 C ATOM 289 O ASP A 20 -12.009 -10.058 -1.415 1.00 0.13 O ATOM 290 CB ASP A 20 -12.634 -12.883 -0.975 1.00 0.15 C ATOM 291 CG ASP A 20 -12.422 -14.383 -1.191 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.639 -14.730 -2.059 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.042 -15.159 -0.481 1.00 1.07 O ATOM 0 H ASP A 20 -11.394 -13.107 1.245 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.599 -12.394 -1.523 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.315 -12.716 -0.141 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.095 -12.437 -1.857 1.00 0.15 H new ATOM 298 N LYS A 21 -11.074 -10.141 0.565 1.00 0.12 N ATOM 299 CA LYS A 21 -11.257 -8.669 0.743 1.00 0.12 C ATOM 300 C LYS A 21 -10.217 -7.929 -0.101 1.00 0.10 C ATOM 301 O LYS A 21 -9.123 -8.413 -0.305 1.00 0.11 O ATOM 302 CB LYS A 21 -11.051 -8.295 2.216 1.00 0.15 C ATOM 303 CG LYS A 21 -12.195 -8.853 3.074 1.00 0.21 C ATOM 304 CD LYS A 21 -12.271 -8.077 4.392 1.00 0.31 C ATOM 305 CE LYS A 21 -13.219 -8.798 5.352 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.430 -7.959 6.565 1.00 1.50 N ATOM 0 H LYS A 21 -10.624 -10.624 1.343 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.264 -8.392 0.431 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.098 -8.689 2.568 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.005 -7.211 2.320 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.140 -8.771 2.537 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.032 -9.912 3.272 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.279 -7.995 4.836 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.623 -7.062 4.209 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -14.172 -8.992 4.861 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -12.802 -9.765 5.634 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -14.074 -8.449 7.218 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -12.518 -7.795 7.037 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -13.845 -7.047 6.288 1.00 1.50 H new ATOM 320 N LEU A 22 -10.540 -6.760 -0.590 1.00 0.11 N ATOM 321 CA LEU A 22 -9.553 -6.010 -1.410 1.00 0.12 C ATOM 322 C LEU A 22 -8.329 -5.748 -0.518 1.00 0.12 C ATOM 323 O LEU A 22 -8.431 -5.771 0.692 1.00 0.14 O ATOM 324 CB LEU A 22 -10.196 -4.675 -1.863 1.00 0.15 C ATOM 325 CG LEU A 22 -9.835 -4.319 -3.321 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.373 -2.900 -3.662 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.310 -4.351 -3.530 1.00 0.47 C ATOM 0 H LEU A 22 -11.439 -6.298 -0.456 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.254 -6.568 -2.298 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.279 -4.744 -1.765 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.867 -3.873 -1.203 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.294 -5.057 -3.979 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -10.117 -2.651 -4.692 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.456 -2.884 -3.544 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.923 -2.169 -2.990 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -8.079 -4.097 -4.565 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.836 -3.629 -2.865 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.933 -5.350 -3.309 1.00 0.47 H new ATOM 339 N VAL A 23 -7.179 -5.495 -1.085 1.00 0.11 N ATOM 340 CA VAL A 23 -5.979 -5.230 -0.246 1.00 0.11 C ATOM 341 C VAL A 23 -5.098 -4.217 -0.960 1.00 0.11 C ATOM 342 O VAL A 23 -4.616 -4.467 -2.048 1.00 0.17 O ATOM 343 CB VAL A 23 -5.174 -6.521 -0.050 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.999 -6.247 0.896 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.068 -7.611 0.546 1.00 0.12 C ATOM 0 H VAL A 23 -7.021 -5.461 -2.092 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.298 -4.851 0.725 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.798 -6.860 -1.015 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.425 -7.163 1.038 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.357 -5.479 0.465 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.379 -5.905 1.859 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.488 -8.524 0.681 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.453 -7.279 1.510 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.901 -7.808 -0.129 1.00 0.12 H new ATOM 355 N VAL A 24 -4.867 -3.081 -0.354 1.00 0.09 N ATOM 356 CA VAL A 24 -3.993 -2.052 -0.991 1.00 0.09 C ATOM 357 C VAL A 24 -2.666 -2.043 -0.240 1.00 0.09 C ATOM 358 O VAL A 24 -2.635 -2.190 0.966 1.00 0.10 O ATOM 359 CB VAL A 24 -4.641 -0.665 -0.900 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.825 0.328 -1.734 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.070 -0.727 -1.439 1.00 0.14 C ATOM 0 H VAL A 24 -5.247 -2.822 0.556 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.845 -2.290 -2.044 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.663 -0.342 0.141 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.281 1.316 -1.673 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.806 0.375 -1.350 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.806 0.001 -2.774 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.527 0.260 -1.373 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.053 -1.050 -2.480 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.651 -1.436 -0.849 1.00 0.14 H new ATOM 371 N VAL A 25 -1.569 -1.895 -0.938 1.00 0.09 N ATOM 372 CA VAL A 25 -0.233 -1.899 -0.257 1.00 0.09 C ATOM 373 C VAL A 25 0.510 -0.605 -0.585 1.00 0.10 C ATOM 374 O VAL A 25 0.752 -0.296 -1.732 1.00 0.11 O ATOM 375 CB VAL A 25 0.576 -3.097 -0.764 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.891 -3.203 0.011 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.240 -4.379 -0.570 1.00 0.10 C ATOM 0 H VAL A 25 -1.538 -1.771 -1.950 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.366 -1.972 0.822 1.00 0.09 H new ATOM 0 HB VAL A 25 0.797 -2.961 -1.823 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.461 -4.057 -0.355 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.472 -2.291 -0.131 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.678 -3.336 1.072 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.333 -5.233 -0.930 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.463 -4.512 0.489 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.172 -4.305 -1.130 1.00 0.10 H new ATOM 387 N ASP A 26 0.877 0.151 0.419 1.00 0.11 N ATOM 388 CA ASP A 26 1.613 1.436 0.180 1.00 0.12 C ATOM 389 C ASP A 26 3.118 1.230 0.419 1.00 0.14 C ATOM 390 O ASP A 26 3.538 0.870 1.499 1.00 0.20 O ATOM 391 CB ASP A 26 1.080 2.507 1.138 1.00 0.14 C ATOM 392 CG ASP A 26 1.723 3.855 0.804 1.00 0.16 C ATOM 393 OD1 ASP A 26 2.475 3.910 -0.155 1.00 1.04 O ATOM 394 OD2 ASP A 26 1.454 4.809 1.516 1.00 1.05 O ATOM 0 H ASP A 26 0.699 -0.065 1.400 1.00 0.11 H new ATOM 0 HA ASP A 26 1.459 1.756 -0.851 1.00 0.12 H new ATOM 0 HB2 ASP A 26 -0.004 2.578 1.054 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.302 2.231 2.169 1.00 0.14 H new ATOM 399 N PHE A 27 3.928 1.462 -0.581 1.00 0.13 N ATOM 400 CA PHE A 27 5.413 1.297 -0.433 1.00 0.13 C ATOM 401 C PHE A 27 6.064 2.644 -0.137 1.00 0.22 C ATOM 402 O PHE A 27 7.230 2.850 -0.405 1.00 0.73 O ATOM 403 CB PHE A 27 6.001 0.726 -1.727 1.00 0.11 C ATOM 404 CG PHE A 27 5.643 -0.733 -1.854 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.357 -1.691 -1.121 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.619 -1.136 -2.717 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.046 -3.049 -1.252 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.308 -2.494 -2.844 1.00 0.14 C ATOM 409 CZ PHE A 27 5.020 -3.450 -2.113 1.00 0.14 C ATOM 0 H PHE A 27 3.624 1.763 -1.507 1.00 0.13 H new ATOM 0 HA PHE A 27 5.610 0.613 0.393 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.619 1.279 -2.585 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.085 0.845 -1.728 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.148 -1.381 -0.454 1.00 0.11 H new ATOM 0 HD2 PHE A 27 4.069 -0.400 -3.285 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.598 -3.787 -0.689 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.516 -2.805 -3.509 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.778 -4.498 -2.213 1.00 0.14 H new ATOM 419 N SER A 28 5.325 3.571 0.390 1.00 0.30 N ATOM 420 CA SER A 28 5.914 4.908 0.668 1.00 0.24 C ATOM 421 C SER A 28 7.122 4.782 1.590 1.00 0.24 C ATOM 422 O SER A 28 7.169 3.946 2.469 1.00 0.28 O ATOM 423 CB SER A 28 4.871 5.790 1.347 1.00 0.27 C ATOM 424 OG SER A 28 3.745 5.933 0.492 1.00 0.29 O ATOM 0 H SER A 28 4.342 3.465 0.641 1.00 0.30 H new ATOM 0 HA SER A 28 6.229 5.350 -0.277 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.567 5.348 2.296 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.297 6.768 1.573 1.00 0.27 H new ATOM 0 HG SER A 28 3.687 5.158 -0.104 1.00 0.29 H new ATOM 430 N ALA A 29 8.093 5.634 1.399 1.00 0.20 N ATOM 431 CA ALA A 29 9.301 5.603 2.263 1.00 0.21 C ATOM 432 C ALA A 29 8.993 6.411 3.521 1.00 0.22 C ATOM 433 O ALA A 29 8.608 7.560 3.443 1.00 0.22 O ATOM 434 CB ALA A 29 10.481 6.242 1.510 1.00 0.19 C ATOM 0 H ALA A 29 8.098 6.354 0.676 1.00 0.20 H new ATOM 0 HA ALA A 29 9.564 4.578 2.525 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.369 6.221 2.141 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.673 5.684 0.594 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.237 7.275 1.261 1.00 0.19 H new ATOM 440 N THR A 30 9.147 5.835 4.677 1.00 0.23 N ATOM 441 CA THR A 30 8.842 6.610 5.904 1.00 0.24 C ATOM 442 C THR A 30 9.878 7.722 6.043 1.00 0.22 C ATOM 443 O THR A 30 9.584 8.805 6.508 1.00 0.22 O ATOM 444 CB THR A 30 8.886 5.697 7.135 1.00 0.28 C ATOM 445 OG1 THR A 30 8.584 6.460 8.294 1.00 0.30 O ATOM 446 CG2 THR A 30 10.279 5.082 7.284 1.00 0.29 C ATOM 0 H THR A 30 9.465 4.877 4.824 1.00 0.23 H new ATOM 0 HA THR A 30 7.842 7.037 5.831 1.00 0.24 H new ATOM 0 HB THR A 30 8.154 4.898 7.014 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.609 5.880 9.083 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.299 4.435 8.161 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.515 4.496 6.396 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.017 5.876 7.401 1.00 0.29 H new ATOM 454 N TRP A 31 11.091 7.469 5.625 1.00 0.22 N ATOM 455 CA TRP A 31 12.151 8.517 5.721 1.00 0.21 C ATOM 456 C TRP A 31 11.888 9.653 4.731 1.00 0.19 C ATOM 457 O TRP A 31 12.348 10.763 4.919 1.00 0.22 O ATOM 458 CB TRP A 31 13.510 7.904 5.405 1.00 0.23 C ATOM 459 CG TRP A 31 13.532 7.421 3.987 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.360 6.138 3.617 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.716 8.179 2.752 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.474 6.044 2.242 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.683 7.276 1.662 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.919 9.542 2.472 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.845 7.709 0.346 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.077 9.981 1.147 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.041 9.067 0.087 1.00 0.21 C ATOM 0 H TRP A 31 11.394 6.582 5.221 1.00 0.22 H new ATOM 0 HA TRP A 31 12.140 8.916 6.735 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.297 8.642 5.559 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.712 7.076 6.084 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.164 5.314 4.287 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.411 5.169 1.721 1.00 0.25 H new ATOM 0 HE3 TRP A 31 13.954 10.256 3.281 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.819 6.999 -0.467 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.227 11.031 0.944 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.165 9.412 -0.929 1.00 0.21 H new ATOM 478 N CYS A 32 11.169 9.397 3.673 1.00 0.18 N ATOM 479 CA CYS A 32 10.906 10.481 2.684 1.00 0.17 C ATOM 480 C CYS A 32 9.716 11.300 3.186 1.00 0.17 C ATOM 481 O CYS A 32 8.634 10.788 3.392 1.00 0.20 O ATOM 482 CB CYS A 32 10.609 9.853 1.306 1.00 0.18 C ATOM 483 SG CYS A 32 10.840 11.091 -0.012 1.00 0.26 S ATOM 0 H CYS A 32 10.755 8.492 3.451 1.00 0.18 H new ATOM 0 HA CYS A 32 11.772 11.134 2.576 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.269 9.002 1.136 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.587 9.473 1.284 1.00 0.18 H new ATOM 488 N GLY A 33 9.928 12.568 3.416 1.00 0.20 N ATOM 489 CA GLY A 33 8.834 13.432 3.941 1.00 0.23 C ATOM 490 C GLY A 33 7.662 13.486 2.958 1.00 0.21 C ATOM 491 O GLY A 33 6.535 13.247 3.335 1.00 0.22 O ATOM 0 H GLY A 33 10.817 13.044 3.262 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.491 13.048 4.902 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.213 14.439 4.117 1.00 0.23 H new ATOM 495 N PRO A 34 7.905 13.800 1.711 1.00 0.21 N ATOM 496 CA PRO A 34 6.799 13.857 0.714 1.00 0.22 C ATOM 497 C PRO A 34 5.950 12.575 0.698 1.00 0.22 C ATOM 498 O PRO A 34 4.745 12.621 0.539 1.00 0.24 O ATOM 499 CB PRO A 34 7.575 14.038 -0.601 1.00 0.29 C ATOM 500 CG PRO A 34 8.970 14.571 -0.241 1.00 0.31 C ATOM 501 CD PRO A 34 9.268 14.139 1.203 1.00 0.24 C ATOM 0 HA PRO A 34 6.074 14.644 0.919 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.652 13.091 -1.135 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.056 14.734 -1.260 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.721 14.173 -0.923 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.001 15.657 -0.331 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.943 13.284 1.242 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.732 14.938 1.781 1.00 0.24 H new ATOM 509 N ALA A 35 6.569 11.438 0.867 1.00 0.21 N ATOM 510 CA ALA A 35 5.800 10.160 0.857 1.00 0.23 C ATOM 511 C ALA A 35 5.073 9.978 2.200 1.00 0.23 C ATOM 512 O ALA A 35 3.884 9.737 2.242 1.00 0.22 O ATOM 513 CB ALA A 35 6.769 8.995 0.602 1.00 0.24 C ATOM 0 H ALA A 35 7.574 11.339 1.012 1.00 0.21 H new ATOM 0 HA ALA A 35 5.052 10.182 0.064 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.215 8.056 0.593 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.261 9.135 -0.360 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.519 8.966 1.392 1.00 0.24 H new ATOM 519 N LYS A 36 5.779 10.096 3.293 1.00 0.25 N ATOM 520 CA LYS A 36 5.127 9.937 4.628 1.00 0.27 C ATOM 521 C LYS A 36 4.023 10.989 4.793 1.00 0.26 C ATOM 522 O LYS A 36 2.998 10.745 5.390 1.00 0.27 O ATOM 523 CB LYS A 36 6.170 10.113 5.731 1.00 0.33 C ATOM 524 CG LYS A 36 5.557 9.708 7.071 1.00 0.37 C ATOM 525 CD LYS A 36 6.532 10.042 8.201 1.00 0.44 C ATOM 526 CE LYS A 36 5.941 9.587 9.535 1.00 0.89 C ATOM 527 NZ LYS A 36 5.956 8.099 9.601 1.00 1.59 N ATOM 0 H LYS A 36 6.779 10.296 3.320 1.00 0.25 H new ATOM 0 HA LYS A 36 4.689 8.941 4.698 1.00 0.27 H new ATOM 0 HB2 LYS A 36 7.047 9.502 5.519 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.505 11.149 5.769 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.613 10.232 7.224 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.333 8.641 7.073 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.489 9.549 8.028 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.726 11.114 8.224 1.00 0.44 H new ATOM 0 HE2 LYS A 36 6.516 10.004 10.361 1.00 0.89 H new ATOM 0 HE3 LYS A 36 4.921 9.956 9.638 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 5.918 7.795 10.595 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 5.132 7.721 9.092 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 6.828 7.741 9.163 1.00 1.59 H new ATOM 541 N MET A 37 4.240 12.158 4.264 1.00 0.28 N ATOM 542 CA MET A 37 3.230 13.251 4.375 1.00 0.30 C ATOM 543 C MET A 37 1.915 12.806 3.740 1.00 0.25 C ATOM 544 O MET A 37 0.858 13.281 4.094 1.00 0.25 O ATOM 545 CB MET A 37 3.762 14.492 3.649 1.00 0.38 C ATOM 546 CG MET A 37 2.813 15.679 3.850 1.00 0.44 C ATOM 547 SD MET A 37 1.408 15.533 2.717 1.00 1.54 S ATOM 548 CE MET A 37 0.773 17.215 2.918 1.00 2.10 C ATOM 0 H MET A 37 5.086 12.409 3.752 1.00 0.28 H new ATOM 0 HA MET A 37 3.053 13.485 5.425 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.754 14.744 4.025 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.869 14.280 2.585 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.460 15.705 4.881 1.00 0.44 H new ATOM 0 HG3 MET A 37 3.342 16.615 3.670 1.00 0.44 H new ATOM 0 HE1 MET A 37 -0.112 17.347 2.296 1.00 2.10 H new ATOM 0 HE2 MET A 37 0.510 17.382 3.963 1.00 2.10 H new ATOM 0 HE3 MET A 37 1.538 17.931 2.617 1.00 2.10 H new ATOM 558 N ILE A 38 1.982 11.924 2.782 1.00 0.23 N ATOM 559 CA ILE A 38 0.748 11.450 2.084 1.00 0.25 C ATOM 560 C ILE A 38 0.122 10.253 2.816 1.00 0.26 C ATOM 561 O ILE A 38 -0.886 9.724 2.390 1.00 0.31 O ATOM 562 CB ILE A 38 1.115 11.042 0.652 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.718 12.255 -0.072 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.139 10.560 -0.098 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.481 11.794 -1.308 1.00 0.49 C ATOM 0 H ILE A 38 2.849 11.505 2.447 1.00 0.23 H new ATOM 0 HA ILE A 38 0.018 12.259 2.073 1.00 0.25 H new ATOM 0 HB ILE A 38 1.840 10.229 0.679 1.00 0.33 H new ATOM 0 HG12 ILE A 38 0.927 12.948 -0.359 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.387 12.795 0.599 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.133 10.273 -1.114 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.565 9.701 0.420 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.874 11.364 -0.133 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.906 12.659 -1.817 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.283 11.118 -1.010 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.801 11.274 -1.983 1.00 0.49 H new ATOM 577 N LYS A 39 0.706 9.791 3.895 1.00 0.27 N ATOM 578 CA LYS A 39 0.106 8.608 4.583 1.00 0.34 C ATOM 579 C LYS A 39 -1.296 8.900 5.171 1.00 0.30 C ATOM 580 O LYS A 39 -2.092 7.994 5.273 1.00 0.33 O ATOM 581 CB LYS A 39 1.042 8.031 5.683 1.00 0.46 C ATOM 582 CG LYS A 39 0.990 8.825 7.016 1.00 0.50 C ATOM 583 CD LYS A 39 1.498 7.940 8.168 1.00 0.65 C ATOM 584 CE LYS A 39 0.387 6.995 8.664 1.00 0.80 C ATOM 585 NZ LYS A 39 0.999 5.718 9.129 1.00 0.75 N ATOM 0 H LYS A 39 1.552 10.171 4.320 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.015 7.853 3.806 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.768 6.994 5.876 1.00 0.46 H new ATOM 0 HB3 LYS A 39 2.067 8.026 5.312 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.601 9.724 6.939 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.031 9.150 7.217 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.355 7.356 7.833 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.842 8.568 8.990 1.00 0.65 H new ATOM 0 HE2 LYS A 39 -0.168 7.463 9.477 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.325 6.800 7.862 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.269 5.125 9.573 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.408 5.213 8.317 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.747 5.924 9.822 1.00 0.75 H new ATOM 599 N PRO A 40 -1.615 10.112 5.611 1.00 0.26 N ATOM 600 CA PRO A 40 -2.956 10.359 6.220 1.00 0.25 C ATOM 601 C PRO A 40 -4.113 9.985 5.301 1.00 0.20 C ATOM 602 O PRO A 40 -5.101 9.454 5.743 1.00 0.21 O ATOM 603 CB PRO A 40 -2.914 11.870 6.484 1.00 0.26 C ATOM 604 CG PRO A 40 -1.443 12.273 6.491 1.00 0.28 C ATOM 605 CD PRO A 40 -0.729 11.310 5.541 1.00 0.27 C ATOM 0 HA PRO A 40 -3.132 9.752 7.108 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.460 12.413 5.713 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.385 12.110 7.437 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.321 13.305 6.162 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.027 12.207 7.496 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.658 11.709 4.529 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.287 11.089 5.868 1.00 0.27 H new ATOM 613 N PHE A 41 -4.014 10.251 4.029 1.00 0.16 N ATOM 614 CA PHE A 41 -5.146 9.881 3.143 1.00 0.13 C ATOM 615 C PHE A 41 -5.224 8.358 3.076 1.00 0.13 C ATOM 616 O PHE A 41 -6.263 7.756 3.253 1.00 0.15 O ATOM 617 CB PHE A 41 -4.890 10.417 1.736 1.00 0.14 C ATOM 618 CG PHE A 41 -5.025 11.918 1.716 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.002 12.720 2.234 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.175 12.506 1.177 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.128 14.115 2.211 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.302 13.899 1.155 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.279 14.704 1.671 1.00 0.37 C ATOM 0 H PHE A 41 -3.218 10.698 3.575 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.074 10.301 3.532 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -3.891 10.130 1.406 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.597 9.972 1.036 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.116 12.264 2.651 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -6.964 11.885 0.778 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.339 14.736 2.609 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.189 14.354 0.740 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.377 15.779 1.653 1.00 0.37 H new ATOM 633 N PHE A 42 -4.106 7.733 2.863 1.00 0.12 N ATOM 634 CA PHE A 42 -4.066 6.248 2.806 1.00 0.13 C ATOM 635 C PHE A 42 -4.547 5.655 4.136 1.00 0.14 C ATOM 636 O PHE A 42 -5.431 4.821 4.183 1.00 0.16 O ATOM 637 CB PHE A 42 -2.616 5.840 2.525 1.00 0.13 C ATOM 638 CG PHE A 42 -2.498 4.341 2.509 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.848 3.620 1.361 1.00 0.12 C ATOM 640 CD2 PHE A 42 -2.054 3.667 3.654 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.755 2.222 1.360 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.958 2.271 3.651 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.310 1.548 2.504 1.00 0.13 C ATOM 0 H PHE A 42 -3.206 8.192 2.724 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.724 5.872 2.022 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.294 6.249 1.567 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.958 6.257 3.287 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.189 4.140 0.478 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.786 4.225 4.539 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -3.027 1.664 0.476 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.613 1.751 4.533 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.238 0.470 2.502 1.00 0.13 H new ATOM 653 N HIS A 43 -3.957 6.088 5.212 1.00 0.16 N ATOM 654 CA HIS A 43 -4.331 5.575 6.561 1.00 0.18 C ATOM 655 C HIS A 43 -5.742 6.036 6.959 1.00 0.16 C ATOM 656 O HIS A 43 -6.502 5.291 7.542 1.00 0.16 O ATOM 657 CB HIS A 43 -3.292 6.104 7.560 1.00 0.23 C ATOM 658 CG HIS A 43 -3.606 5.626 8.946 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.008 4.505 9.498 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.478 6.092 9.890 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.532 4.330 10.725 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.436 5.271 11.015 1.00 0.31 N ATOM 0 H HIS A 43 -3.217 6.790 5.215 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.341 4.485 6.556 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.296 5.769 7.270 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.280 7.194 7.539 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.105 6.965 9.780 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.256 3.528 11.393 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -4.978 5.367 11.874 1.00 0.31 H new ATOM 670 N SER A 44 -6.093 7.258 6.666 1.00 0.15 N ATOM 671 CA SER A 44 -7.453 7.758 7.044 1.00 0.15 C ATOM 672 C SER A 44 -8.547 6.953 6.329 1.00 0.13 C ATOM 673 O SER A 44 -9.582 6.654 6.890 1.00 0.15 O ATOM 674 CB SER A 44 -7.594 9.233 6.667 1.00 0.18 C ATOM 675 OG SER A 44 -6.657 9.999 7.415 1.00 0.22 O ATOM 0 H SER A 44 -5.501 7.933 6.182 1.00 0.15 H new ATOM 0 HA SER A 44 -7.568 7.639 8.121 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.420 9.366 5.599 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.608 9.577 6.870 1.00 0.18 H new ATOM 0 HG SER A 44 -5.841 10.124 6.887 1.00 0.22 H new ATOM 681 N LEU A 45 -8.332 6.627 5.085 1.00 0.12 N ATOM 682 CA LEU A 45 -9.361 5.873 4.308 1.00 0.14 C ATOM 683 C LEU A 45 -9.593 4.499 4.928 1.00 0.13 C ATOM 684 O LEU A 45 -10.606 3.873 4.695 1.00 0.15 O ATOM 685 CB LEU A 45 -8.879 5.685 2.872 1.00 0.16 C ATOM 686 CG LEU A 45 -8.886 7.034 2.123 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.945 6.951 0.917 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.298 7.363 1.619 1.00 0.22 C ATOM 0 H LEU A 45 -7.482 6.851 4.568 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.292 6.440 4.323 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.873 5.266 2.871 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.522 4.972 2.356 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.557 7.813 2.811 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.949 7.903 0.386 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.934 6.730 1.259 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.282 6.161 0.246 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.283 8.318 1.093 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.633 6.580 0.939 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.981 7.426 2.466 1.00 0.22 H new ATOM 700 N SER A 46 -8.666 4.004 5.699 1.00 0.12 N ATOM 701 CA SER A 46 -8.869 2.655 6.292 1.00 0.12 C ATOM 702 C SER A 46 -10.224 2.626 6.989 1.00 0.14 C ATOM 703 O SER A 46 -10.949 1.654 6.917 1.00 0.16 O ATOM 704 CB SER A 46 -7.765 2.357 7.308 1.00 0.13 C ATOM 705 OG SER A 46 -6.505 2.398 6.653 1.00 0.14 O ATOM 0 H SER A 46 -7.790 4.467 5.941 1.00 0.12 H new ATOM 0 HA SER A 46 -8.835 1.901 5.506 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.792 3.087 8.117 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.923 1.377 7.758 1.00 0.13 H new ATOM 0 HG SER A 46 -6.134 3.303 6.714 1.00 0.14 H new ATOM 711 N GLU A 47 -10.580 3.685 7.655 1.00 0.15 N ATOM 712 CA GLU A 47 -11.899 3.719 8.341 1.00 0.18 C ATOM 713 C GLU A 47 -12.996 4.105 7.332 1.00 0.18 C ATOM 714 O GLU A 47 -14.166 3.884 7.577 1.00 0.21 O ATOM 715 CB GLU A 47 -11.862 4.755 9.469 1.00 0.22 C ATOM 716 CG GLU A 47 -10.921 4.285 10.585 1.00 0.23 C ATOM 717 CD GLU A 47 -11.494 3.037 11.265 1.00 1.34 C ATOM 718 OE1 GLU A 47 -12.674 2.780 11.092 1.00 2.05 O ATOM 719 OE2 GLU A 47 -10.744 2.366 11.954 1.00 2.16 O ATOM 0 H GLU A 47 -10.015 4.529 7.755 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.115 2.734 8.755 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.526 5.716 9.080 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.865 4.906 9.868 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -9.936 4.064 10.173 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -10.788 5.080 11.319 1.00 0.23 H new ATOM 726 N LYS A 48 -12.643 4.677 6.199 1.00 0.17 N ATOM 727 CA LYS A 48 -13.704 5.054 5.212 1.00 0.19 C ATOM 728 C LYS A 48 -14.153 3.785 4.504 1.00 0.18 C ATOM 729 O LYS A 48 -15.318 3.599 4.217 1.00 0.21 O ATOM 730 CB LYS A 48 -13.169 6.069 4.197 1.00 0.20 C ATOM 731 CG LYS A 48 -14.316 6.530 3.286 1.00 0.30 C ATOM 732 CD LYS A 48 -13.769 7.469 2.210 1.00 0.82 C ATOM 733 CE LYS A 48 -14.919 8.009 1.355 1.00 1.03 C ATOM 734 NZ LYS A 48 -14.381 8.991 0.372 1.00 1.78 N ATOM 0 H LYS A 48 -11.686 4.894 5.922 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.543 5.520 5.728 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.735 6.924 4.715 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.374 5.620 3.601 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.794 5.668 2.822 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -15.079 7.040 3.874 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.231 8.295 2.675 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -13.055 6.938 1.581 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -15.416 7.191 0.834 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.667 8.484 1.989 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -15.159 9.360 -0.211 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -13.926 9.776 0.880 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -13.682 8.523 -0.240 1.00 1.78 H new ATOM 748 N TYR A 49 -13.230 2.887 4.263 1.00 0.16 N ATOM 749 CA TYR A 49 -13.575 1.580 3.623 1.00 0.17 C ATOM 750 C TYR A 49 -13.092 0.490 4.573 1.00 0.16 C ATOM 751 O TYR A 49 -12.168 -0.245 4.291 1.00 0.16 O ATOM 752 CB TYR A 49 -12.862 1.432 2.271 1.00 0.17 C ATOM 753 CG TYR A 49 -13.349 2.494 1.311 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.611 2.370 0.716 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.542 3.599 1.014 1.00 0.19 C ATOM 756 CE1 TYR A 49 -15.066 3.351 -0.173 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.999 4.579 0.123 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.260 4.455 -0.470 1.00 0.21 C ATOM 759 OH TYR A 49 -14.709 5.422 -1.347 1.00 0.25 O ATOM 0 H TYR A 49 -12.242 3.005 4.485 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.648 1.514 3.442 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.784 1.520 2.407 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -13.051 0.442 1.857 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.233 1.517 0.943 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.568 3.696 1.471 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -16.040 3.255 -0.630 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.377 5.431 -0.106 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.027 6.120 -1.441 1.00 0.25 H new ATOM 769 N SER A 50 -13.727 0.396 5.709 1.00 0.17 N ATOM 770 CA SER A 50 -13.336 -0.616 6.720 1.00 0.18 C ATOM 771 C SER A 50 -13.552 -2.010 6.135 1.00 0.19 C ATOM 772 O SER A 50 -13.122 -3.004 6.687 1.00 0.21 O ATOM 773 CB SER A 50 -14.199 -0.428 7.963 1.00 0.20 C ATOM 774 OG SER A 50 -15.532 -0.826 7.669 1.00 0.22 O ATOM 0 H SER A 50 -14.512 0.989 5.980 1.00 0.17 H new ATOM 0 HA SER A 50 -12.286 -0.500 6.990 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.803 -1.020 8.788 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.179 0.615 8.280 1.00 0.20 H new ATOM 0 HG SER A 50 -16.091 -0.709 8.465 1.00 0.22 H new ATOM 780 N ASN A 51 -14.207 -2.081 5.009 1.00 0.20 N ATOM 781 CA ASN A 51 -14.456 -3.397 4.357 1.00 0.23 C ATOM 782 C ASN A 51 -13.294 -3.709 3.413 1.00 0.19 C ATOM 783 O ASN A 51 -13.323 -4.665 2.663 1.00 0.22 O ATOM 784 CB ASN A 51 -15.769 -3.332 3.574 1.00 0.32 C ATOM 785 CG ASN A 51 -16.161 -4.733 3.102 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.507 -5.584 3.897 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.123 -5.008 1.827 1.00 0.27 N ATOM 0 H ASN A 51 -14.584 -1.276 4.509 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.531 -4.182 5.109 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.557 -2.916 4.202 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.660 -2.667 2.717 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.384 -5.938 1.498 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.833 -4.293 1.160 1.00 0.27 H new ATOM 794 N VAL A 52 -12.261 -2.904 3.468 1.00 0.21 N ATOM 795 CA VAL A 52 -11.054 -3.123 2.618 1.00 0.17 C ATOM 796 C VAL A 52 -9.835 -3.148 3.545 1.00 0.13 C ATOM 797 O VAL A 52 -9.821 -2.491 4.566 1.00 0.14 O ATOM 798 CB VAL A 52 -10.927 -1.989 1.593 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.526 -2.007 0.965 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.978 -2.182 0.494 1.00 0.24 C ATOM 0 H VAL A 52 -12.205 -2.089 4.079 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.130 -4.063 2.071 1.00 0.17 H new ATOM 0 HB VAL A 52 -11.084 -1.033 2.092 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.443 -1.199 0.238 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.776 -1.872 1.745 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.363 -2.962 0.466 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.892 -1.378 -0.237 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.817 -3.140 0.000 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.974 -2.165 0.936 1.00 0.24 H new ATOM 810 N ILE A 53 -8.824 -3.920 3.224 1.00 0.11 N ATOM 811 CA ILE A 53 -7.628 -3.991 4.125 1.00 0.09 C ATOM 812 C ILE A 53 -6.508 -3.100 3.557 1.00 0.09 C ATOM 813 O ILE A 53 -6.086 -3.274 2.432 1.00 0.12 O ATOM 814 CB ILE A 53 -7.132 -5.442 4.193 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.308 -6.389 4.498 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.087 -5.565 5.307 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.069 -5.936 5.751 1.00 0.15 C ATOM 0 H ILE A 53 -8.774 -4.499 2.386 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.900 -3.647 5.123 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.691 -5.715 3.234 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.987 -6.417 3.646 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.935 -7.403 4.642 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.731 -6.594 5.360 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.249 -4.901 5.094 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.537 -5.287 6.260 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.894 -6.622 5.944 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.393 -5.933 6.606 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.462 -4.931 5.595 1.00 0.15 H new ATOM 829 N PHE A 54 -6.019 -2.153 4.328 1.00 0.08 N ATOM 830 CA PHE A 54 -4.916 -1.255 3.834 1.00 0.09 C ATOM 831 C PHE A 54 -3.591 -1.643 4.509 1.00 0.09 C ATOM 832 O PHE A 54 -3.488 -1.645 5.720 1.00 0.12 O ATOM 833 CB PHE A 54 -5.225 0.199 4.209 1.00 0.10 C ATOM 834 CG PHE A 54 -6.419 0.709 3.436 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.710 0.335 3.819 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.236 1.578 2.349 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.819 0.828 3.118 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.345 2.065 1.647 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.637 1.690 2.032 1.00 0.10 C ATOM 0 H PHE A 54 -6.335 -1.962 5.279 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.839 -1.361 2.752 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.421 0.270 5.279 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.357 0.825 4.002 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.853 -0.334 4.655 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.239 1.871 2.054 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.816 0.542 3.417 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.203 2.730 0.808 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.493 2.066 1.491 1.00 0.10 H new ATOM 849 N LEU A 55 -2.567 -1.949 3.739 1.00 0.09 N ATOM 850 CA LEU A 55 -1.233 -2.315 4.335 1.00 0.11 C ATOM 851 C LEU A 55 -0.228 -1.205 4.061 1.00 0.10 C ATOM 852 O LEU A 55 -0.173 -0.653 2.980 1.00 0.10 O ATOM 853 CB LEU A 55 -0.676 -3.624 3.732 1.00 0.12 C ATOM 854 CG LEU A 55 -1.394 -4.859 4.303 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.909 -4.680 4.264 1.00 0.20 C ATOM 856 CD2 LEU A 55 -1.000 -6.096 3.493 1.00 0.22 C ATOM 0 H LEU A 55 -2.597 -1.961 2.720 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.383 -2.454 5.406 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.791 -3.604 2.648 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.392 -3.695 3.938 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.092 -4.984 5.343 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.391 -5.568 4.674 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.188 -3.809 4.857 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.232 -4.535 3.233 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.508 -6.972 3.896 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.289 -5.956 2.451 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.078 -6.242 3.553 1.00 0.22 H new ATOM 868 N GLU A 56 0.594 -0.911 5.031 1.00 0.12 N ATOM 869 CA GLU A 56 1.645 0.129 4.860 1.00 0.13 C ATOM 870 C GLU A 56 2.986 -0.596 4.825 1.00 0.13 C ATOM 871 O GLU A 56 3.247 -1.454 5.644 1.00 0.14 O ATOM 872 CB GLU A 56 1.598 1.106 6.037 1.00 0.15 C ATOM 873 CG GLU A 56 2.541 2.278 5.767 1.00 0.17 C ATOM 874 CD GLU A 56 2.632 3.154 7.017 1.00 0.20 C ATOM 875 OE1 GLU A 56 3.282 2.736 7.962 1.00 1.05 O ATOM 876 OE2 GLU A 56 2.047 4.224 7.010 1.00 1.13 O ATOM 0 H GLU A 56 0.580 -1.355 5.949 1.00 0.12 H new ATOM 0 HA GLU A 56 1.493 0.699 3.944 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.581 1.470 6.180 1.00 0.15 H new ATOM 0 HB3 GLU A 56 1.887 0.598 6.957 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.530 1.909 5.495 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.177 2.865 4.924 1.00 0.17 H new ATOM 883 N VAL A 57 3.821 -0.294 3.863 1.00 0.12 N ATOM 884 CA VAL A 57 5.138 -1.004 3.747 1.00 0.12 C ATOM 885 C VAL A 57 6.289 0.006 3.659 1.00 0.11 C ATOM 886 O VAL A 57 6.228 0.976 2.930 1.00 0.13 O ATOM 887 CB VAL A 57 5.126 -1.857 2.478 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.425 -2.652 2.389 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.944 -2.825 2.515 1.00 0.14 C ATOM 0 H VAL A 57 3.650 0.415 3.150 1.00 0.12 H new ATOM 0 HA VAL A 57 5.285 -1.628 4.628 1.00 0.12 H new ATOM 0 HB VAL A 57 5.032 -1.206 1.609 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.418 -3.261 1.485 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.271 -1.965 2.357 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.516 -3.299 3.261 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.941 -3.430 1.608 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.034 -3.476 3.385 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.014 -2.261 2.578 1.00 0.14 H new ATOM 899 N ASP A 58 7.347 -0.233 4.393 1.00 0.10 N ATOM 900 CA ASP A 58 8.525 0.680 4.363 1.00 0.09 C ATOM 901 C ASP A 58 9.559 0.092 3.408 1.00 0.09 C ATOM 902 O ASP A 58 10.052 -1.000 3.618 1.00 0.09 O ATOM 903 CB ASP A 58 9.126 0.749 5.765 1.00 0.10 C ATOM 904 CG ASP A 58 10.158 1.879 5.832 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.529 2.381 4.784 1.00 1.02 O ATOM 906 OD2 ASP A 58 10.557 2.226 6.933 1.00 1.05 O ATOM 0 H ASP A 58 7.443 -1.033 5.019 1.00 0.10 H new ATOM 0 HA ASP A 58 8.231 1.677 4.036 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.339 0.919 6.500 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.597 -0.201 6.016 1.00 0.10 H new ATOM 911 N VAL A 59 9.916 0.792 2.372 1.00 0.09 N ATOM 912 CA VAL A 59 10.929 0.228 1.440 1.00 0.10 C ATOM 913 C VAL A 59 12.270 0.173 2.154 1.00 0.11 C ATOM 914 O VAL A 59 13.178 -0.510 1.733 1.00 0.12 O ATOM 915 CB VAL A 59 11.067 1.121 0.210 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.722 1.215 -0.505 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.522 2.516 0.643 1.00 0.16 C ATOM 0 H VAL A 59 9.558 1.716 2.131 1.00 0.09 H new ATOM 0 HA VAL A 59 10.616 -0.768 1.128 1.00 0.10 H new ATOM 0 HB VAL A 59 11.806 0.696 -0.470 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.821 1.853 -1.383 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.404 0.219 -0.813 1.00 0.14 H new ATOM 0 HG13 VAL A 59 8.980 1.640 0.171 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.621 3.155 -0.234 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.785 2.944 1.323 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.484 2.444 1.150 1.00 0.16 H new ATOM 927 N ASP A 60 12.415 0.917 3.219 1.00 0.10 N ATOM 928 CA ASP A 60 13.718 0.926 3.946 1.00 0.12 C ATOM 929 C ASP A 60 13.740 -0.115 5.075 1.00 0.13 C ATOM 930 O ASP A 60 14.732 -0.791 5.267 1.00 0.15 O ATOM 931 CB ASP A 60 13.934 2.324 4.523 1.00 0.14 C ATOM 932 CG ASP A 60 14.448 3.257 3.424 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.647 3.671 2.608 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.636 3.539 3.420 1.00 1.07 O ATOM 0 H ASP A 60 11.691 1.516 3.615 1.00 0.10 H new ATOM 0 HA ASP A 60 14.516 0.669 3.250 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.000 2.708 4.933 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.650 2.283 5.344 1.00 0.14 H new ATOM 939 N ASP A 61 12.669 -0.272 5.815 1.00 0.13 N ATOM 940 CA ASP A 61 12.666 -1.293 6.918 1.00 0.15 C ATOM 941 C ASP A 61 12.026 -2.567 6.382 1.00 0.14 C ATOM 942 O ASP A 61 12.122 -3.628 6.968 1.00 0.19 O ATOM 943 CB ASP A 61 11.867 -0.774 8.120 1.00 0.16 C ATOM 944 CG ASP A 61 12.510 0.517 8.629 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.653 0.761 8.280 1.00 1.07 O ATOM 946 OD2 ASP A 61 11.850 1.238 9.357 1.00 1.01 O ATOM 0 H ASP A 61 11.803 0.256 5.707 1.00 0.13 H new ATOM 0 HA ASP A 61 13.687 -1.490 7.246 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.832 -0.590 7.832 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.850 -1.523 8.912 1.00 0.16 H new ATOM 951 N ALA A 62 11.381 -2.457 5.252 1.00 0.11 N ATOM 952 CA ALA A 62 10.725 -3.629 4.609 1.00 0.12 C ATOM 953 C ALA A 62 11.260 -3.727 3.184 1.00 0.11 C ATOM 954 O ALA A 62 10.546 -4.033 2.250 1.00 0.12 O ATOM 955 CB ALA A 62 9.201 -3.429 4.604 1.00 0.14 C ATOM 0 H ALA A 62 11.280 -1.582 4.737 1.00 0.11 H new ATOM 0 HA ALA A 62 10.941 -4.548 5.154 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.723 -4.288 4.133 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.843 -3.332 5.629 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.954 -2.525 4.046 1.00 0.14 H new ATOM 961 N GLN A 63 12.516 -3.446 3.018 1.00 0.11 N ATOM 962 CA GLN A 63 13.116 -3.488 1.662 1.00 0.12 C ATOM 963 C GLN A 63 12.961 -4.900 1.098 1.00 0.12 C ATOM 964 O GLN A 63 12.947 -5.097 -0.098 1.00 0.14 O ATOM 965 CB GLN A 63 14.602 -3.117 1.754 1.00 0.13 C ATOM 966 CG GLN A 63 15.354 -4.200 2.523 1.00 0.15 C ATOM 967 CD GLN A 63 16.753 -3.694 2.868 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.261 -2.792 2.231 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.401 -4.239 3.858 1.00 1.43 N ATOM 0 H GLN A 63 13.158 -3.187 3.768 1.00 0.11 H new ATOM 0 HA GLN A 63 12.614 -2.778 1.005 1.00 0.12 H new ATOM 0 HB2 GLN A 63 15.023 -3.008 0.754 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.717 -2.155 2.254 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.813 -4.458 3.434 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.421 -5.108 1.924 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.974 -4.996 4.392 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.335 -3.909 4.099 1.00 1.43 H new ATOM 978 N ASP A 64 12.819 -5.885 1.943 1.00 0.13 N ATOM 979 CA ASP A 64 12.639 -7.268 1.434 1.00 0.13 C ATOM 980 C ASP A 64 11.296 -7.353 0.704 1.00 0.15 C ATOM 981 O ASP A 64 11.163 -8.026 -0.298 1.00 0.16 O ATOM 982 CB ASP A 64 12.669 -8.261 2.603 1.00 0.17 C ATOM 983 CG ASP A 64 11.632 -7.873 3.659 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.458 -7.905 3.344 1.00 1.05 O ATOM 985 OD2 ASP A 64 12.034 -7.573 4.772 1.00 1.02 O ATOM 0 H ASP A 64 12.820 -5.790 2.959 1.00 0.13 H new ATOM 0 HA ASP A 64 13.446 -7.519 0.746 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.467 -9.268 2.238 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.663 -8.277 3.049 1.00 0.17 H new ATOM 990 N VAL A 65 10.302 -6.662 1.204 1.00 0.17 N ATOM 991 CA VAL A 65 8.960 -6.685 0.555 1.00 0.22 C ATOM 992 C VAL A 65 9.008 -5.914 -0.769 1.00 0.22 C ATOM 993 O VAL A 65 8.505 -6.357 -1.783 1.00 0.26 O ATOM 994 CB VAL A 65 7.954 -5.979 1.475 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.526 -6.305 1.041 1.00 0.35 C ATOM 996 CG2 VAL A 65 8.167 -6.419 2.918 1.00 0.32 C ATOM 0 H VAL A 65 10.365 -6.080 2.039 1.00 0.17 H new ATOM 0 HA VAL A 65 8.668 -7.719 0.374 1.00 0.22 H new ATOM 0 HB VAL A 65 8.110 -4.903 1.404 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.821 -5.799 1.700 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.371 -5.967 0.016 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.366 -7.382 1.096 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.449 -5.913 3.563 1.00 0.32 H new ATOM 0 HG22 VAL A 65 8.026 -7.497 2.994 1.00 0.32 H new ATOM 0 HG23 VAL A 65 9.179 -6.162 3.231 1.00 0.32 H new ATOM 1006 N ALA A 66 9.589 -4.743 -0.746 1.00 0.19 N ATOM 1007 CA ALA A 66 9.660 -3.903 -1.975 1.00 0.22 C ATOM 1008 C ALA A 66 10.666 -4.489 -2.971 1.00 0.23 C ATOM 1009 O ALA A 66 10.467 -4.440 -4.168 1.00 0.26 O ATOM 1010 CB ALA A 66 10.075 -2.476 -1.581 1.00 0.25 C ATOM 0 H ALA A 66 10.021 -4.330 0.081 1.00 0.19 H new ATOM 0 HA ALA A 66 8.681 -3.883 -2.455 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.130 -1.853 -2.474 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.339 -2.060 -0.893 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.051 -2.502 -1.096 1.00 0.25 H new ATOM 1016 N SER A 67 11.752 -5.027 -2.489 1.00 0.21 N ATOM 1017 CA SER A 67 12.770 -5.597 -3.415 1.00 0.23 C ATOM 1018 C SER A 67 12.137 -6.717 -4.241 1.00 0.23 C ATOM 1019 O SER A 67 12.415 -6.873 -5.413 1.00 0.24 O ATOM 1020 CB SER A 67 13.935 -6.156 -2.599 1.00 0.23 C ATOM 1021 OG SER A 67 13.460 -7.206 -1.767 1.00 0.22 O ATOM 0 H SER A 67 11.978 -5.096 -1.497 1.00 0.21 H new ATOM 0 HA SER A 67 13.135 -4.818 -4.085 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.715 -6.527 -3.263 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.381 -5.368 -1.992 1.00 0.23 H new ATOM 0 HG SER A 67 12.540 -7.013 -1.490 1.00 0.22 H new ATOM 1027 N GLU A 68 11.275 -7.486 -3.640 1.00 0.23 N ATOM 1028 CA GLU A 68 10.605 -8.584 -4.384 1.00 0.25 C ATOM 1029 C GLU A 68 9.696 -7.980 -5.457 1.00 0.22 C ATOM 1030 O GLU A 68 9.514 -8.542 -6.519 1.00 0.24 O ATOM 1031 CB GLU A 68 9.782 -9.432 -3.405 1.00 0.29 C ATOM 1032 CG GLU A 68 9.191 -10.652 -4.123 1.00 0.32 C ATOM 1033 CD GLU A 68 10.298 -11.663 -4.440 1.00 1.27 C ATOM 1034 OE1 GLU A 68 11.439 -11.394 -4.104 1.00 2.06 O ATOM 1035 OE2 GLU A 68 9.983 -12.689 -5.018 1.00 1.96 O ATOM 0 H GLU A 68 11.005 -7.400 -2.660 1.00 0.23 H new ATOM 0 HA GLU A 68 11.349 -9.220 -4.863 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.412 -9.759 -2.578 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.980 -8.830 -2.977 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.430 -11.118 -3.498 1.00 0.32 H new ATOM 0 HG3 GLU A 68 8.699 -10.339 -5.044 1.00 0.32 H new ATOM 1042 N ALA A 69 9.112 -6.846 -5.176 1.00 0.20 N ATOM 1043 CA ALA A 69 8.199 -6.201 -6.165 1.00 0.20 C ATOM 1044 C ALA A 69 8.999 -5.336 -7.146 1.00 0.19 C ATOM 1045 O ALA A 69 8.439 -4.717 -8.029 1.00 0.20 O ATOM 1046 CB ALA A 69 7.196 -5.322 -5.421 1.00 0.23 C ATOM 0 H ALA A 69 9.228 -6.336 -4.300 1.00 0.20 H new ATOM 0 HA ALA A 69 7.676 -6.977 -6.724 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.526 -4.848 -6.138 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.615 -5.936 -4.732 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.730 -4.554 -4.861 1.00 0.23 H new ATOM 1052 N GLU A 70 10.297 -5.286 -7.004 1.00 0.18 N ATOM 1053 CA GLU A 70 11.118 -4.457 -7.937 1.00 0.18 C ATOM 1054 C GLU A 70 10.587 -3.028 -7.985 1.00 0.17 C ATOM 1055 O GLU A 70 10.373 -2.479 -9.046 1.00 0.18 O ATOM 1056 CB GLU A 70 11.079 -5.035 -9.356 1.00 0.22 C ATOM 1057 CG GLU A 70 11.852 -6.353 -9.421 1.00 0.24 C ATOM 1058 CD GLU A 70 11.063 -7.467 -8.729 1.00 1.24 C ATOM 1059 OE1 GLU A 70 9.864 -7.315 -8.580 1.00 2.02 O ATOM 1060 OE2 GLU A 70 11.674 -8.460 -8.370 1.00 2.02 O ATOM 0 H GLU A 70 10.824 -5.781 -6.285 1.00 0.18 H new ATOM 0 HA GLU A 70 12.143 -4.462 -7.567 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.045 -5.198 -9.660 1.00 0.22 H new ATOM 0 HB3 GLU A 70 11.509 -4.320 -10.058 1.00 0.22 H new ATOM 0 HG2 GLU A 70 12.038 -6.622 -10.461 1.00 0.24 H new ATOM 0 HG3 GLU A 70 12.824 -6.236 -8.943 1.00 0.24 H new ATOM 1067 N VAL A 71 10.376 -2.405 -6.863 1.00 0.15 N ATOM 1068 CA VAL A 71 9.857 -1.015 -6.909 1.00 0.14 C ATOM 1069 C VAL A 71 10.939 -0.106 -7.490 1.00 0.14 C ATOM 1070 O VAL A 71 12.096 -0.189 -7.124 1.00 0.16 O ATOM 1071 CB VAL A 71 9.510 -0.534 -5.501 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.814 0.825 -5.601 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.580 -1.547 -4.821 1.00 0.15 C ATOM 0 H VAL A 71 10.537 -2.789 -5.932 1.00 0.15 H new ATOM 0 HA VAL A 71 8.960 -0.986 -7.527 1.00 0.14 H new ATOM 0 HB VAL A 71 10.420 -0.439 -4.908 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.561 1.179 -4.601 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.481 1.541 -6.081 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.903 0.725 -6.191 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.335 -1.200 -3.817 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.664 -1.648 -5.403 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.079 -2.514 -4.759 1.00 0.15 H new ATOM 1083 N LYS A 72 10.570 0.755 -8.404 1.00 0.15 N ATOM 1084 CA LYS A 72 11.563 1.674 -9.030 1.00 0.16 C ATOM 1085 C LYS A 72 11.386 3.090 -8.471 1.00 0.15 C ATOM 1086 O LYS A 72 12.229 3.946 -8.661 1.00 0.16 O ATOM 1087 CB LYS A 72 11.351 1.689 -10.548 1.00 0.19 C ATOM 1088 CG LYS A 72 11.540 0.273 -11.133 1.00 0.23 C ATOM 1089 CD LYS A 72 13.034 -0.048 -11.284 1.00 0.74 C ATOM 1090 CE LYS A 72 13.197 -1.359 -12.062 1.00 0.88 C ATOM 1091 NZ LYS A 72 14.629 -1.774 -12.041 1.00 1.60 N ATOM 0 H LYS A 72 9.614 0.860 -8.745 1.00 0.15 H new ATOM 0 HA LYS A 72 12.571 1.326 -8.805 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.350 2.053 -10.778 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.056 2.378 -11.013 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.067 -0.463 -10.482 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.047 0.204 -12.103 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.541 0.763 -11.807 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.500 -0.135 -10.302 1.00 0.74 H new ATOM 0 HE2 LYS A 72 12.575 -2.137 -11.619 1.00 0.88 H new ATOM 0 HE3 LYS A 72 12.860 -1.229 -13.090 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 14.740 -2.663 -12.569 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 15.211 -1.034 -12.483 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 14.935 -1.914 -11.057 1.00 1.60 H new ATOM 1105 N ALA A 73 10.303 3.353 -7.784 1.00 0.13 N ATOM 1106 CA ALA A 73 10.101 4.723 -7.227 1.00 0.13 C ATOM 1107 C ALA A 73 9.004 4.712 -6.148 1.00 0.11 C ATOM 1108 O ALA A 73 8.165 3.844 -6.118 1.00 0.12 O ATOM 1109 CB ALA A 73 9.702 5.667 -8.366 1.00 0.14 C ATOM 0 H ALA A 73 9.558 2.685 -7.587 1.00 0.13 H new ATOM 0 HA ALA A 73 11.028 5.065 -6.767 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.552 6.671 -7.970 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.493 5.687 -9.116 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.777 5.315 -8.823 1.00 0.14 H new ATOM 1115 N THR A 74 9.004 5.694 -5.273 1.00 0.11 N ATOM 1116 CA THR A 74 7.963 5.778 -4.193 1.00 0.11 C ATOM 1117 C THR A 74 7.367 7.193 -4.200 1.00 0.12 C ATOM 1118 O THR A 74 8.031 8.120 -4.608 1.00 0.15 O ATOM 1119 CB THR A 74 8.634 5.518 -2.830 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.497 6.593 -2.519 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.418 4.210 -2.863 1.00 0.14 C ATOM 0 H THR A 74 9.689 6.450 -5.261 1.00 0.11 H new ATOM 0 HA THR A 74 7.179 5.040 -4.363 1.00 0.11 H new ATOM 0 HB THR A 74 7.863 5.438 -2.063 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.923 6.430 -1.652 1.00 0.15 H new ATOM 0 HG21 THR A 74 9.886 4.041 -1.893 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.741 3.386 -3.088 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.188 4.267 -3.632 1.00 0.14 H new ATOM 1129 N PRO A 75 6.153 7.394 -3.724 1.00 0.13 N ATOM 1130 CA PRO A 75 5.270 6.303 -3.202 1.00 0.10 C ATOM 1131 C PRO A 75 4.654 5.444 -4.311 1.00 0.09 C ATOM 1132 O PRO A 75 4.218 5.942 -5.329 1.00 0.10 O ATOM 1133 CB PRO A 75 4.185 7.108 -2.464 1.00 0.12 C ATOM 1134 CG PRO A 75 4.203 8.535 -3.030 1.00 0.15 C ATOM 1135 CD PRO A 75 5.579 8.769 -3.674 1.00 0.16 C ATOM 0 HA PRO A 75 5.808 5.584 -2.585 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.206 6.651 -2.607 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.379 7.119 -1.391 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.410 8.664 -3.767 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.023 9.262 -2.238 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.492 9.208 -4.668 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.195 9.444 -3.080 1.00 0.16 H new ATOM 1143 N THR A 76 4.584 4.155 -4.090 1.00 0.09 N ATOM 1144 CA THR A 76 3.963 3.235 -5.092 1.00 0.09 C ATOM 1145 C THR A 76 2.876 2.438 -4.396 1.00 0.10 C ATOM 1146 O THR A 76 3.083 1.877 -3.337 1.00 0.12 O ATOM 1147 CB THR A 76 5.005 2.277 -5.664 1.00 0.10 C ATOM 1148 OG1 THR A 76 6.036 3.025 -6.281 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.348 1.365 -6.703 1.00 0.13 C ATOM 0 H THR A 76 4.934 3.696 -3.249 1.00 0.09 H new ATOM 0 HA THR A 76 3.548 3.820 -5.913 1.00 0.09 H new ATOM 0 HB THR A 76 5.421 1.669 -4.861 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.792 3.112 -5.663 1.00 0.11 H new ATOM 0 HG21 THR A 76 5.093 0.682 -7.110 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.550 0.792 -6.231 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.933 1.971 -7.508 1.00 0.13 H new ATOM 1157 N PHE A 77 1.716 2.397 -4.975 1.00 0.10 N ATOM 1158 CA PHE A 77 0.583 1.648 -4.362 1.00 0.10 C ATOM 1159 C PHE A 77 0.310 0.402 -5.201 1.00 0.10 C ATOM 1160 O PHE A 77 0.189 0.478 -6.407 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.650 2.547 -4.361 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.354 3.793 -3.556 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.545 3.804 -2.166 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.113 4.944 -4.207 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.273 4.967 -1.432 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.388 6.104 -3.471 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.194 6.117 -2.085 1.00 0.19 C ATOM 0 H PHE A 77 1.497 2.856 -5.859 1.00 0.10 H new ATOM 0 HA PHE A 77 0.824 1.355 -3.340 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.921 2.815 -5.382 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.501 2.017 -3.934 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.901 2.918 -1.662 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.261 4.936 -5.277 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.423 4.977 -0.363 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.750 6.989 -3.974 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.404 7.012 -1.519 1.00 0.19 H new ATOM 1177 N GLN A 78 0.198 -0.745 -4.575 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.075 -2.006 -5.337 1.00 0.09 C ATOM 1179 C GLN A 78 -1.343 -2.640 -4.793 1.00 0.08 C ATOM 1180 O GLN A 78 -1.608 -2.612 -3.607 1.00 0.09 O ATOM 1181 CB GLN A 78 1.095 -2.979 -5.172 1.00 0.09 C ATOM 1182 CG GLN A 78 2.316 -2.441 -5.926 1.00 0.12 C ATOM 1183 CD GLN A 78 3.400 -3.516 -6.003 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.238 -4.601 -5.480 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.510 -3.253 -6.635 1.00 0.29 N ATOM 0 H GLN A 78 0.284 -0.863 -3.566 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.196 -1.776 -6.396 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.332 -3.104 -4.115 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.821 -3.962 -5.555 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.026 -2.133 -6.931 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.705 -1.557 -5.421 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.644 -2.342 -7.073 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.244 -3.959 -6.691 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.140 -3.198 -5.660 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.421 -3.827 -5.219 1.00 0.07 C ATOM 1196 C PHE A 79 -3.335 -5.338 -5.306 1.00 0.07 C ATOM 1197 O PHE A 79 -2.873 -5.893 -6.282 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.543 -3.323 -6.117 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.706 -1.851 -5.853 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.826 -0.941 -6.443 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.710 -1.401 -4.991 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.954 0.425 -6.178 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.834 -0.035 -4.721 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.958 0.878 -5.315 1.00 0.12 C ATOM 0 H PHE A 79 -1.960 -3.247 -6.663 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.617 -3.557 -4.181 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.304 -3.500 -7.166 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.471 -3.855 -5.907 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.047 -1.293 -7.103 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.388 -2.107 -4.535 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.279 1.131 -6.639 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.607 0.315 -4.053 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.056 1.933 -5.108 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.800 -6.002 -4.282 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.787 -7.489 -4.255 1.00 0.08 C ATOM 1216 C PHE A 80 -5.175 -7.994 -3.875 1.00 0.09 C ATOM 1217 O PHE A 80 -5.862 -7.405 -3.062 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.767 -7.978 -3.225 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.365 -7.720 -3.724 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.722 -6.502 -3.452 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.700 -8.717 -4.451 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.584 -6.287 -3.912 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.606 -8.499 -4.907 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.247 -7.284 -4.637 1.00 0.15 C ATOM 0 H PHE A 80 -4.195 -5.566 -3.449 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.513 -7.869 -5.239 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.924 -7.467 -2.275 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.906 -9.043 -3.041 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.232 -5.733 -2.890 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.195 -9.654 -4.660 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.080 -5.350 -3.707 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.118 -9.268 -5.467 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.254 -7.116 -4.989 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.596 -9.085 -4.452 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.936 -9.637 -4.119 1.00 0.12 C ATOM 1236 C LYS A 81 -6.836 -11.164 -4.226 1.00 0.11 C ATOM 1237 O LYS A 81 -6.311 -11.688 -5.186 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.946 -9.092 -5.132 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.369 -9.369 -4.657 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.355 -8.955 -5.747 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.772 -8.939 -5.173 1.00 1.02 C ATOM 1242 NZ LYS A 81 -12.726 -8.482 -6.223 1.00 1.68 N ATOM 0 H LYS A 81 -5.067 -9.619 -5.142 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.258 -9.356 -3.116 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.800 -8.020 -5.261 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.783 -9.555 -6.105 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.488 -10.428 -4.426 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.572 -8.818 -3.739 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -10.096 -7.969 -6.131 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -10.299 -9.649 -6.586 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -12.047 -9.935 -4.825 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -11.819 -8.275 -4.310 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -13.691 -8.470 -5.834 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -12.467 -7.524 -6.534 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.687 -9.132 -7.034 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.299 -11.872 -3.234 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.205 -13.368 -3.249 1.00 0.13 C ATOM 1258 C LYS A 82 -5.731 -13.766 -3.362 1.00 0.13 C ATOM 1259 O LYS A 82 -5.404 -14.830 -3.847 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.977 -13.991 -4.430 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.471 -13.638 -4.360 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.285 -14.671 -5.152 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.716 -14.164 -5.352 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.473 -15.132 -6.197 1.00 1.22 N ATOM 0 H LYS A 82 -7.743 -11.479 -2.404 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.650 -13.740 -2.326 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.559 -13.634 -5.371 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.855 -15.074 -4.418 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.802 -13.619 -3.322 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.638 -12.640 -4.766 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.816 -14.853 -6.119 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -10.298 -15.622 -4.620 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -12.209 -14.044 -4.387 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.703 -13.183 -5.827 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.445 -14.788 -6.333 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -12.006 -15.225 -7.122 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.497 -16.059 -5.726 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.837 -12.927 -2.916 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.391 -13.266 -3.004 1.00 0.16 C ATOM 1280 C GLY A 83 -2.893 -13.061 -4.436 1.00 0.16 C ATOM 1281 O GLY A 83 -1.897 -13.632 -4.839 1.00 0.23 O ATOM 0 H GLY A 83 -5.046 -12.022 -2.495 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.820 -12.640 -2.318 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.232 -14.300 -2.699 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.577 -12.251 -5.211 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.149 -12.006 -6.626 1.00 0.15 C ATOM 1287 C GLN A 84 -3.083 -10.504 -6.911 1.00 0.12 C ATOM 1288 O GLN A 84 -3.916 -9.746 -6.475 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.157 -12.646 -7.572 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.140 -14.161 -7.385 1.00 0.33 C ATOM 1291 CD GLN A 84 -5.034 -14.799 -8.443 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -4.714 -15.840 -8.981 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -6.151 -14.208 -8.766 1.00 2.07 N ATOM 0 H GLN A 84 -4.416 -11.748 -4.923 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.161 -12.441 -6.776 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.155 -12.256 -7.375 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.914 -12.394 -8.604 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -3.122 -14.540 -7.473 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -4.492 -14.422 -6.387 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -6.416 -13.334 -8.312 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -6.760 -14.620 -9.473 1.00 2.07 H new ATOM 1302 N LYS A 85 -2.104 -10.076 -7.665 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.980 -8.624 -7.992 1.00 0.12 C ATOM 1304 C LYS A 85 -2.960 -8.268 -9.113 1.00 0.14 C ATOM 1305 O LYS A 85 -2.960 -8.879 -10.164 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.545 -8.349 -8.450 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.347 -6.855 -8.693 1.00 0.20 C ATOM 1308 CD LYS A 85 1.060 -6.615 -9.244 1.00 0.28 C ATOM 1309 CE LYS A 85 1.327 -5.114 -9.302 1.00 1.28 C ATOM 1310 NZ LYS A 85 2.679 -4.868 -9.880 1.00 1.82 N ATOM 0 H LYS A 85 -1.382 -10.672 -8.070 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.211 -8.019 -7.115 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.159 -8.699 -7.695 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.334 -8.905 -9.364 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -1.093 -6.487 -9.397 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.485 -6.302 -7.764 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.800 -7.104 -8.610 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.154 -7.052 -10.238 1.00 0.28 H new ATOM 0 HE2 LYS A 85 0.566 -4.622 -9.908 1.00 1.28 H new ATOM 0 HE3 LYS A 85 1.264 -4.684 -8.302 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 2.887 -3.849 -9.856 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 3.393 -5.380 -9.323 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 2.702 -5.203 -10.864 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.799 -7.281 -8.886 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.794 -6.861 -9.924 1.00 0.18 C ATOM 1326 C VAL A 86 -4.629 -5.370 -10.247 1.00 0.17 C ATOM 1327 O VAL A 86 -5.462 -4.784 -10.908 1.00 0.22 O ATOM 1328 CB VAL A 86 -6.215 -7.104 -9.402 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.503 -8.607 -9.367 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.348 -6.529 -7.989 1.00 0.26 C ATOM 0 H VAL A 86 -3.836 -6.746 -8.019 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.624 -7.446 -10.828 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.928 -6.614 -10.064 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.514 -8.775 -8.995 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.413 -9.018 -10.372 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.788 -9.099 -8.708 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.359 -6.702 -7.619 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.631 -7.017 -7.329 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.149 -5.458 -8.012 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.572 -4.738 -9.797 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.415 -3.285 -10.119 1.00 0.17 C ATOM 1342 C GLY A 87 -2.134 -2.708 -9.505 1.00 0.12 C ATOM 1343 O GLY A 87 -1.594 -3.230 -8.550 1.00 0.17 O ATOM 0 H GLY A 87 -2.828 -5.152 -9.235 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.393 -3.151 -11.201 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.278 -2.734 -9.747 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.656 -1.616 -10.059 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.416 -0.964 -9.533 1.00 0.13 C ATOM 1349 C GLU A 88 -0.281 0.434 -10.152 1.00 0.11 C ATOM 1350 O GLU A 88 -0.668 0.663 -11.282 1.00 0.14 O ATOM 1351 CB GLU A 88 0.798 -1.869 -9.888 1.00 0.21 C ATOM 1352 CG GLU A 88 2.079 -1.071 -10.209 1.00 0.58 C ATOM 1353 CD GLU A 88 2.468 -0.190 -9.025 1.00 1.13 C ATOM 1354 OE1 GLU A 88 1.717 -0.148 -8.070 1.00 1.87 O ATOM 1355 OE2 GLU A 88 3.517 0.428 -9.098 1.00 1.93 O ATOM 0 H GLU A 88 -2.078 -1.146 -10.860 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.460 -0.846 -8.450 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.997 -2.542 -9.054 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.541 -2.491 -10.746 1.00 0.21 H new ATOM 0 HG2 GLU A 88 2.893 -1.757 -10.443 1.00 0.58 H new ATOM 0 HG3 GLU A 88 1.918 -0.453 -11.093 1.00 0.58 H new ATOM 1362 N PHE A 89 0.295 1.358 -9.426 1.00 0.10 N ATOM 1363 CA PHE A 89 0.499 2.732 -9.980 1.00 0.09 C ATOM 1364 C PHE A 89 1.420 3.539 -9.053 1.00 0.10 C ATOM 1365 O PHE A 89 1.552 3.242 -7.881 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.858 3.434 -10.178 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.408 3.997 -8.880 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.878 5.177 -8.349 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.474 3.356 -8.231 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.412 5.722 -7.172 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -3.003 3.896 -7.049 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.474 5.081 -6.522 1.00 0.14 C ATOM 0 H PHE A 89 0.633 1.221 -8.473 1.00 0.10 H new ATOM 0 HA PHE A 89 0.981 2.660 -10.955 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.746 4.240 -10.903 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.573 2.726 -10.597 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.056 5.670 -8.846 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.888 2.447 -8.641 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.004 6.636 -6.767 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.818 3.398 -6.545 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.885 5.500 -5.615 1.00 0.14 H new ATOM 1382 N SER A 90 2.069 4.554 -9.582 1.00 0.10 N ATOM 1383 CA SER A 90 3.000 5.398 -8.760 1.00 0.10 C ATOM 1384 C SER A 90 2.614 6.863 -8.893 1.00 0.09 C ATOM 1385 O SER A 90 1.884 7.244 -9.786 1.00 0.11 O ATOM 1386 CB SER A 90 4.446 5.230 -9.240 1.00 0.11 C ATOM 1387 OG SER A 90 4.543 5.631 -10.600 1.00 0.12 O ATOM 0 H SER A 90 1.992 4.836 -10.559 1.00 0.10 H new ATOM 0 HA SER A 90 2.924 5.078 -7.721 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.117 5.829 -8.624 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.758 4.191 -9.133 1.00 0.11 H new ATOM 0 HG SER A 90 5.468 5.525 -10.907 1.00 0.12 H new ATOM 1393 N GLY A 91 3.100 7.687 -8.002 1.00 0.09 N ATOM 1394 CA GLY A 91 2.780 9.147 -8.052 1.00 0.09 C ATOM 1395 C GLY A 91 2.075 9.554 -6.761 1.00 0.10 C ATOM 1396 O GLY A 91 1.281 8.814 -6.213 1.00 0.12 O ATOM 0 H GLY A 91 3.711 7.409 -7.234 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.694 9.727 -8.179 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.144 9.362 -8.911 1.00 0.09 H new ATOM 1400 N ALA A 92 2.363 10.724 -6.266 1.00 0.11 N ATOM 1401 CA ALA A 92 1.717 11.175 -5.004 1.00 0.14 C ATOM 1402 C ALA A 92 0.281 11.643 -5.284 1.00 0.13 C ATOM 1403 O ALA A 92 -0.044 12.801 -5.109 1.00 0.17 O ATOM 1404 CB ALA A 92 2.532 12.339 -4.432 1.00 0.18 C ATOM 0 H ALA A 92 3.018 11.387 -6.681 1.00 0.11 H new ATOM 0 HA ALA A 92 1.683 10.350 -4.292 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.073 12.684 -3.505 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.550 12.006 -4.231 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.553 13.157 -5.152 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.586 10.741 -5.690 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.017 11.113 -5.956 1.00 0.14 C ATOM 1412 C ASN A 93 -2.909 10.303 -5.013 1.00 0.13 C ATOM 1413 O ASN A 93 -3.248 9.168 -5.282 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.374 10.776 -7.407 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.739 11.377 -7.752 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.250 11.168 -8.834 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.361 12.114 -6.871 1.00 0.75 N ATOM 0 H ASN A 93 -0.363 9.759 -5.849 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.163 12.181 -5.791 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.612 11.168 -8.080 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.396 9.695 -7.545 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.274 12.512 -7.092 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.934 12.291 -5.962 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.286 10.874 -3.905 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.143 10.136 -2.933 1.00 0.15 C ATOM 1426 C LYS A 94 -5.553 9.904 -3.494 1.00 0.15 C ATOM 1427 O LYS A 94 -6.186 8.912 -3.197 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.240 10.965 -1.652 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.661 12.426 -1.976 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.485 13.391 -1.779 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.002 14.826 -1.869 1.00 0.59 C ATOM 1432 NZ LYS A 94 -2.885 15.778 -1.605 1.00 1.06 N ATOM 0 H LYS A 94 -3.037 11.824 -3.628 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.695 9.162 -2.736 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -4.965 10.514 -0.974 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.279 10.963 -1.138 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.018 12.486 -3.004 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.490 12.721 -1.333 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.015 13.220 -0.811 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.723 13.217 -2.539 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.424 15.010 -2.857 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.803 14.980 -1.146 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.239 16.754 -1.667 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.502 15.608 -0.653 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.134 15.637 -2.311 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.055 10.802 -4.295 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.424 10.622 -4.855 1.00 0.15 C ATOM 1448 C GLU A 95 -7.448 9.408 -5.779 1.00 0.15 C ATOM 1449 O GLU A 95 -8.454 8.749 -5.946 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.804 11.868 -5.650 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.849 13.073 -4.713 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.049 12.947 -3.775 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -9.930 12.157 -4.073 1.00 1.61 O ATOM 1454 OE2 GLU A 95 -9.066 13.642 -2.773 1.00 1.55 O ATOM 0 H GLU A 95 -5.576 11.654 -4.587 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.133 10.468 -4.041 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.080 12.040 -6.446 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.774 11.727 -6.126 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -6.927 13.132 -4.135 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -7.922 13.994 -5.291 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.342 9.131 -6.396 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.259 7.985 -7.335 1.00 0.15 C ATOM 1463 C LYS A 96 -6.575 6.700 -6.581 1.00 0.14 C ATOM 1464 O LYS A 96 -7.168 5.782 -7.110 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.839 7.936 -7.874 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.732 6.956 -9.043 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.444 7.248 -9.817 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.354 6.324 -11.030 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.126 6.648 -11.805 1.00 1.45 N ATOM 0 H LYS A 96 -5.476 9.659 -6.288 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.970 8.095 -8.154 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.535 8.931 -8.199 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.155 7.637 -7.080 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.727 5.930 -8.676 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.597 7.055 -9.699 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.429 8.289 -10.139 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.578 7.102 -9.171 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.330 5.283 -10.708 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.237 6.443 -11.659 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -2.062 6.020 -12.632 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.167 7.637 -12.123 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.289 6.513 -11.202 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.190 6.639 -5.341 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.473 5.430 -4.529 1.00 0.13 C ATOM 1485 C LEU A 97 -7.978 5.228 -4.470 1.00 0.14 C ATOM 1486 O LEU A 97 -8.484 4.126 -4.515 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.980 5.659 -3.095 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.454 5.612 -3.016 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -4.014 6.113 -1.632 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.957 4.168 -3.221 1.00 0.19 C ATOM 0 H LEU A 97 -5.688 7.380 -4.852 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.976 4.567 -4.972 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.335 6.625 -2.737 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.404 4.900 -2.437 1.00 0.13 H new ATOM 0 HG LEU A 97 -4.030 6.244 -3.796 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.927 6.084 -1.563 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.360 7.137 -1.489 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.443 5.474 -0.860 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.869 4.146 -3.163 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.375 3.526 -2.446 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.275 3.809 -4.200 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.687 6.302 -4.347 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.172 6.212 -4.242 1.00 0.15 C ATOM 1504 C GLU A 98 -10.767 5.563 -5.492 1.00 0.16 C ATOM 1505 O GLU A 98 -11.660 4.743 -5.405 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.746 7.626 -4.076 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.270 7.570 -3.882 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.968 7.299 -5.220 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.356 7.538 -6.248 1.00 2.10 O ATOM 1510 OE2 GLU A 98 -14.105 6.856 -5.193 1.00 2.00 O ATOM 0 H GLU A 98 -8.307 7.248 -4.314 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.429 5.596 -3.380 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.282 8.115 -3.219 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.507 8.227 -4.953 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.524 6.788 -3.167 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.625 8.512 -3.463 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.314 5.943 -6.651 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.898 5.362 -7.896 1.00 0.17 C ATOM 1519 C ALA A 99 -10.522 3.889 -8.060 1.00 0.16 C ATOM 1520 O ALA A 99 -11.344 3.069 -8.419 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.403 6.149 -9.107 1.00 0.19 C ATOM 0 H ALA A 99 -9.570 6.626 -6.794 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.983 5.428 -7.821 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.830 5.725 -10.016 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.710 7.191 -9.014 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.316 6.094 -9.157 1.00 0.19 H new ATOM 1527 N THR A 100 -9.291 3.541 -7.826 1.00 0.16 N ATOM 1528 CA THR A 100 -8.889 2.118 -8.002 1.00 0.16 C ATOM 1529 C THR A 100 -9.642 1.242 -6.999 1.00 0.15 C ATOM 1530 O THR A 100 -10.095 0.161 -7.322 1.00 0.15 O ATOM 1531 CB THR A 100 -7.382 1.980 -7.788 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.706 2.935 -8.593 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.940 0.575 -8.192 1.00 0.20 C ATOM 0 H THR A 100 -8.550 4.173 -7.523 1.00 0.16 H new ATOM 0 HA THR A 100 -9.137 1.794 -9.013 1.00 0.16 H new ATOM 0 HB THR A 100 -7.144 2.150 -6.738 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.739 2.851 -8.458 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.865 0.474 -8.040 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.463 -0.161 -7.581 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.175 0.408 -9.243 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.802 1.709 -5.792 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.551 0.911 -4.774 1.00 0.13 C ATOM 1543 C ILE A 101 -11.975 0.726 -5.274 1.00 0.14 C ATOM 1544 O ILE A 101 -12.495 -0.368 -5.311 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.568 1.673 -3.439 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.161 1.661 -2.821 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.558 1.017 -2.467 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.055 2.755 -1.756 1.00 0.16 C ATOM 0 H ILE A 101 -9.448 2.608 -5.464 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.075 -0.058 -4.623 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.879 2.701 -3.624 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.957 0.687 -2.377 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.412 1.821 -3.596 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.561 1.566 -1.525 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.558 1.034 -2.900 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.259 -0.015 -2.285 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.056 2.743 -1.320 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.240 3.727 -2.213 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.794 2.575 -0.975 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.599 1.792 -5.681 1.00 0.17 N ATOM 1561 CA ASN A 102 -13.984 1.695 -6.201 1.00 0.20 C ATOM 1562 C ASN A 102 -13.975 0.772 -7.415 1.00 0.19 C ATOM 1563 O ASN A 102 -14.910 0.041 -7.667 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.476 3.089 -6.613 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.911 2.995 -7.132 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.162 2.397 -8.160 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.870 3.575 -6.463 1.00 0.55 N ATOM 0 H ASN A 102 -12.205 2.733 -5.675 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.650 1.299 -5.434 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.431 3.768 -5.761 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.826 3.502 -7.385 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.831 3.527 -6.803 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.659 4.077 -5.600 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.925 0.818 -8.180 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.840 -0.034 -9.394 1.00 0.18 C ATOM 1576 C GLU A 103 -12.729 -1.515 -9.008 1.00 0.16 C ATOM 1577 O GLU A 103 -13.304 -2.373 -9.648 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.584 0.364 -10.172 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.590 -0.312 -11.548 1.00 0.21 C ATOM 1580 CD GLU A 103 -12.653 0.332 -12.441 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -13.286 1.274 -11.996 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -12.811 -0.128 -13.560 1.00 2.04 O ATOM 0 H GLU A 103 -12.114 1.415 -8.015 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.738 0.107 -9.996 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.545 1.447 -10.289 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.693 0.071 -9.617 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -10.608 -0.220 -12.012 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -11.792 -1.378 -11.438 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.971 -1.824 -7.985 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.796 -3.257 -7.579 1.00 0.14 C ATOM 1591 C LEU A 104 -12.716 -3.617 -6.407 1.00 0.13 C ATOM 1592 O LEU A 104 -12.756 -4.753 -5.979 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.339 -3.486 -7.160 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.395 -3.197 -8.334 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.945 -3.304 -7.849 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.636 -4.203 -9.477 1.00 0.25 C ATOM 0 H LEU A 104 -11.465 -1.148 -7.413 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.054 -3.890 -8.428 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.090 -2.841 -6.317 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.208 -4.514 -6.824 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.587 -2.192 -8.710 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.268 -3.100 -8.678 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.773 -2.579 -7.053 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.761 -4.309 -7.470 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.959 -3.985 -10.303 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.453 -5.215 -9.116 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.667 -4.122 -9.822 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.454 -2.679 -5.874 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.349 -3.021 -4.728 1.00 0.15 C ATOM 1610 C VAL A 105 -15.400 -4.032 -5.197 1.00 0.16 C ATOM 1611 O VAL A 105 -15.845 -3.911 -6.327 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.052 -1.757 -4.201 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.149 -1.306 -5.184 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.677 -2.062 -2.836 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.737 -4.910 -4.421 1.00 1.08 O ATOM 0 H VAL A 105 -13.477 -1.705 -6.176 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.751 -3.450 -3.924 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.321 -0.955 -4.102 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.638 -0.411 -4.798 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.701 -1.086 -6.153 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.886 -2.101 -5.297 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.177 -1.170 -2.457 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.403 -2.868 -2.940 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.897 -2.365 -2.138 1.00 0.19 H new TER 1625 VAL A 105 ATOM 1626 N PRO B 59 13.884 19.847 -12.441 1.00 1.11 N ATOM 1627 CA PRO B 59 14.028 18.438 -12.921 1.00 1.14 C ATOM 1628 C PRO B 59 13.710 17.411 -11.824 1.00 1.00 C ATOM 1629 O PRO B 59 13.235 16.329 -12.100 1.00 1.04 O ATOM 1630 CB PRO B 59 15.507 18.343 -13.347 1.00 1.33 C ATOM 1631 CG PRO B 59 15.936 19.756 -13.593 1.00 1.46 C ATOM 1632 CD PRO B 59 15.115 20.623 -12.640 1.00 1.26 C ATOM 0 HA PRO B 59 13.331 18.213 -13.728 1.00 1.14 H new ATOM 0 HB2 PRO B 59 16.112 17.878 -12.569 1.00 1.33 H new ATOM 0 HB3 PRO B 59 15.620 17.735 -14.245 1.00 1.33 H new ATOM 0 HG2 PRO B 59 17.003 19.877 -13.407 1.00 1.46 H new ATOM 0 HG3 PRO B 59 15.759 20.042 -14.630 1.00 1.46 H new ATOM 0 HD2 PRO B 59 15.639 20.792 -11.699 1.00 1.26 H new ATOM 0 HD3 PRO B 59 14.906 21.603 -13.069 1.00 1.26 H new ATOM 1640 N ALA B 60 13.950 17.745 -10.586 1.00 0.88 N ATOM 1641 CA ALA B 60 13.641 16.785 -9.489 1.00 0.76 C ATOM 1642 C ALA B 60 12.144 16.849 -9.189 1.00 0.61 C ATOM 1643 O ALA B 60 11.588 17.915 -9.006 1.00 0.61 O ATOM 1644 CB ALA B 60 14.427 17.167 -8.234 1.00 0.78 C ATOM 0 H ALA B 60 14.345 18.637 -10.287 1.00 0.88 H new ATOM 0 HA ALA B 60 13.920 15.776 -9.792 1.00 0.76 H new ATOM 0 HB1 ALA B 60 14.199 16.463 -7.434 1.00 0.78 H new ATOM 0 HB2 ALA B 60 15.495 17.137 -8.450 1.00 0.78 H new ATOM 0 HB3 ALA B 60 14.148 18.174 -7.922 1.00 0.78 H new ATOM 1650 N THR B 61 11.481 15.723 -9.142 1.00 0.54 N ATOM 1651 CA THR B 61 10.010 15.727 -8.866 1.00 0.44 C ATOM 1652 C THR B 61 9.758 15.430 -7.382 1.00 0.34 C ATOM 1653 O THR B 61 10.124 14.391 -6.873 1.00 0.32 O ATOM 1654 CB THR B 61 9.344 14.646 -9.729 1.00 0.51 C ATOM 1655 OG1 THR B 61 9.756 14.807 -11.079 1.00 0.70 O ATOM 1656 CG2 THR B 61 7.823 14.779 -9.645 1.00 0.47 C ATOM 0 H THR B 61 11.893 14.800 -9.282 1.00 0.54 H new ATOM 0 HA THR B 61 9.592 16.705 -9.106 1.00 0.44 H new ATOM 0 HB THR B 61 9.639 13.661 -9.366 1.00 0.51 H new ATOM 0 HG1 THR B 61 9.335 14.118 -11.634 1.00 0.70 H new ATOM 0 HG21 THR B 61 7.356 14.009 -10.259 1.00 0.47 H new ATOM 0 HG22 THR B 61 7.504 14.660 -8.610 1.00 0.47 H new ATOM 0 HG23 THR B 61 7.523 15.763 -10.006 1.00 0.47 H new ATOM 1664 N LEU B 62 9.124 16.344 -6.689 1.00 0.34 N ATOM 1665 CA LEU B 62 8.824 16.131 -5.241 1.00 0.32 C ATOM 1666 C LEU B 62 7.721 15.077 -5.087 1.00 0.23 C ATOM 1667 O LEU B 62 7.583 14.450 -4.055 1.00 0.25 O ATOM 1668 CB LEU B 62 8.342 17.444 -4.617 1.00 0.40 C ATOM 1669 CG LEU B 62 9.504 18.443 -4.514 1.00 0.50 C ATOM 1670 CD1 LEU B 62 8.954 19.809 -4.087 1.00 0.61 C ATOM 1671 CD2 LEU B 62 10.549 17.952 -3.486 1.00 0.55 C ATOM 0 H LEU B 62 8.800 17.234 -7.068 1.00 0.34 H new ATOM 0 HA LEU B 62 9.730 15.791 -4.739 1.00 0.32 H new ATOM 0 HB2 LEU B 62 7.540 17.869 -5.221 1.00 0.40 H new ATOM 0 HB3 LEU B 62 7.928 17.254 -3.627 1.00 0.40 H new ATOM 0 HG LEU B 62 9.991 18.528 -5.485 1.00 0.50 H new ATOM 0 HD11 LEU B 62 9.773 20.524 -4.012 1.00 0.61 H new ATOM 0 HD12 LEU B 62 8.234 20.159 -4.827 1.00 0.61 H new ATOM 0 HD13 LEU B 62 8.463 19.717 -3.118 1.00 0.61 H new ATOM 0 HD21 LEU B 62 11.366 18.671 -3.425 1.00 0.55 H new ATOM 0 HD22 LEU B 62 10.079 17.854 -2.508 1.00 0.55 H new ATOM 0 HD23 LEU B 62 10.941 16.984 -3.799 1.00 0.55 H new ATOM 1683 N LYS B 63 6.913 14.906 -6.098 1.00 0.19 N ATOM 1684 CA LYS B 63 5.792 13.923 -6.018 1.00 0.14 C ATOM 1685 C LYS B 63 6.358 12.499 -5.932 1.00 0.12 C ATOM 1686 O LYS B 63 5.658 11.569 -5.574 1.00 0.12 O ATOM 1687 CB LYS B 63 4.926 14.037 -7.280 1.00 0.17 C ATOM 1688 CG LYS B 63 4.353 15.459 -7.417 1.00 0.20 C ATOM 1689 CD LYS B 63 3.207 15.686 -6.424 1.00 0.40 C ATOM 1690 CE LYS B 63 2.488 16.993 -6.764 1.00 0.35 C ATOM 1691 NZ LYS B 63 1.365 17.202 -5.805 1.00 1.31 N ATOM 0 H LYS B 63 6.981 15.408 -6.983 1.00 0.19 H new ATOM 0 HA LYS B 63 5.192 14.134 -5.133 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.522 13.793 -8.160 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.112 13.314 -7.235 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.141 16.191 -7.242 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.994 15.614 -8.434 1.00 0.20 H new ATOM 0 HD2 LYS B 63 2.506 14.852 -6.464 1.00 0.40 H new ATOM 0 HD3 LYS B 63 3.596 15.727 -5.407 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.185 17.829 -6.713 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.108 16.957 -7.785 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 0.874 18.090 -6.033 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 0.696 16.409 -5.875 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 1.741 17.253 -4.837 1.00 1.31 H new ATOM 1705 N ILE B 64 7.609 12.322 -6.293 1.00 0.11 N ATOM 1706 CA ILE B 64 8.251 10.958 -6.261 1.00 0.11 C ATOM 1707 C ILE B 64 9.599 11.031 -5.516 1.00 0.10 C ATOM 1708 O ILE B 64 10.342 11.980 -5.667 1.00 0.11 O ATOM 1709 CB ILE B 64 8.514 10.495 -7.705 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.192 10.238 -8.446 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.349 9.213 -7.715 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.340 9.190 -7.708 1.00 0.15 C ATOM 0 H ILE B 64 8.223 13.071 -6.613 1.00 0.11 H new ATOM 0 HA ILE B 64 7.587 10.260 -5.751 1.00 0.11 H new ATOM 0 HB ILE B 64 9.061 11.290 -8.212 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.633 11.170 -8.534 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.400 9.895 -9.459 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.525 8.901 -8.745 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.304 9.397 -7.224 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.814 8.426 -7.184 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.410 9.027 -8.254 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.892 8.252 -7.644 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.113 9.547 -6.704 1.00 0.15 H new ATOM 1724 N CYS B 65 9.935 10.020 -4.737 1.00 0.09 N ATOM 1725 CA CYS B 65 11.257 10.017 -4.023 1.00 0.10 C ATOM 1726 C CYS B 65 12.207 9.097 -4.810 1.00 0.10 C ATOM 1727 O CYS B 65 11.862 7.978 -5.139 1.00 0.11 O ATOM 1728 CB CYS B 65 11.122 9.470 -2.586 1.00 0.10 C ATOM 1729 SG CYS B 65 9.861 10.379 -1.644 1.00 0.19 S ATOM 0 H CYS B 65 9.351 9.201 -4.567 1.00 0.09 H new ATOM 0 HA CYS B 65 11.633 11.038 -3.963 1.00 0.10 H new ATOM 0 HB2 CYS B 65 10.860 8.413 -2.621 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.082 9.543 -2.076 1.00 0.10 H new ATOM 1734 N SER B 66 13.386 9.558 -5.136 1.00 0.12 N ATOM 1735 CA SER B 66 14.334 8.705 -5.924 1.00 0.14 C ATOM 1736 C SER B 66 15.021 7.672 -5.012 1.00 0.14 C ATOM 1737 O SER B 66 15.402 7.970 -3.898 1.00 0.15 O ATOM 1738 CB SER B 66 15.401 9.601 -6.557 1.00 0.18 C ATOM 1739 OG SER B 66 14.778 10.535 -7.429 1.00 0.20 O ATOM 0 H SER B 66 13.736 10.485 -4.893 1.00 0.12 H new ATOM 0 HA SER B 66 13.774 8.176 -6.695 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.957 10.127 -5.781 1.00 0.18 H new ATOM 0 HB3 SER B 66 16.120 8.995 -7.109 1.00 0.18 H new ATOM 0 HG SER B 66 15.460 11.110 -7.834 1.00 0.20 H new ATOM 1745 N TRP B 67 15.208 6.462 -5.485 1.00 0.15 N ATOM 1746 CA TRP B 67 15.893 5.424 -4.647 1.00 0.16 C ATOM 1747 C TRP B 67 17.395 5.693 -4.627 1.00 0.19 C ATOM 1748 O TRP B 67 18.135 5.094 -3.873 1.00 0.21 O ATOM 1749 CB TRP B 67 15.630 4.017 -5.200 1.00 0.16 C ATOM 1750 CG TRP B 67 14.198 3.653 -4.965 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.139 4.378 -5.382 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.645 2.494 -4.263 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.980 3.745 -4.986 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.241 2.585 -4.287 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.217 1.385 -3.613 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.434 1.621 -3.687 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.408 0.410 -3.011 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.018 0.531 -3.045 1.00 0.16 C ATOM 0 H TRP B 67 14.917 6.149 -6.411 1.00 0.15 H new ATOM 0 HA TRP B 67 15.495 5.478 -3.634 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.855 3.985 -6.266 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.285 3.294 -4.714 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.191 5.304 -5.936 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.042 4.093 -5.186 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.292 1.283 -3.577 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.359 1.718 -3.719 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.862 -0.437 -2.519 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.397 -0.218 -2.575 1.00 0.16 H new ATOM 1769 N ASN B 68 17.855 6.589 -5.453 1.00 0.23 N ATOM 1770 CA ASN B 68 19.311 6.887 -5.482 1.00 0.27 C ATOM 1771 C ASN B 68 19.775 7.184 -4.057 1.00 0.26 C ATOM 1772 O ASN B 68 20.955 7.197 -3.764 1.00 0.30 O ATOM 1773 CB ASN B 68 19.545 8.113 -6.367 1.00 0.34 C ATOM 1774 CG ASN B 68 19.267 7.739 -7.827 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.456 8.542 -8.719 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.829 6.541 -8.107 1.00 0.40 N ATOM 0 H ASN B 68 17.287 7.126 -6.108 1.00 0.23 H new ATOM 0 HA ASN B 68 19.868 6.039 -5.881 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.893 8.930 -6.058 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.571 8.465 -6.258 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.645 6.279 -9.075 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.671 5.868 -7.357 1.00 0.40 H new ATOM 1783 N VAL B 69 18.848 7.402 -3.161 1.00 0.26 N ATOM 1784 CA VAL B 69 19.235 7.677 -1.750 1.00 0.33 C ATOM 1785 C VAL B 69 20.007 6.470 -1.207 1.00 0.41 C ATOM 1786 O VAL B 69 19.741 5.342 -1.567 1.00 0.49 O ATOM 1787 CB VAL B 69 17.978 7.906 -0.901 1.00 0.45 C ATOM 1788 CG1 VAL B 69 17.341 9.249 -1.268 1.00 0.99 C ATOM 1789 CG2 VAL B 69 16.968 6.781 -1.163 1.00 1.04 C ATOM 0 H VAL B 69 17.845 7.401 -3.346 1.00 0.26 H new ATOM 0 HA VAL B 69 19.859 8.570 -1.707 1.00 0.33 H new ATOM 0 HB VAL B 69 18.257 7.912 0.153 1.00 0.45 H new ATOM 0 HG11 VAL B 69 16.449 9.406 -0.662 1.00 0.99 H new ATOM 0 HG12 VAL B 69 18.053 10.053 -1.081 1.00 0.99 H new ATOM 0 HG13 VAL B 69 17.067 9.246 -2.323 1.00 0.99 H new ATOM 0 HG21 VAL B 69 16.076 6.945 -0.559 1.00 1.04 H new ATOM 0 HG22 VAL B 69 16.696 6.775 -2.218 1.00 1.04 H new ATOM 0 HG23 VAL B 69 17.414 5.822 -0.898 1.00 1.04 H new ATOM 1799 N ASP B 70 20.968 6.695 -0.351 1.00 0.49 N ATOM 1800 CA ASP B 70 21.755 5.553 0.202 1.00 0.64 C ATOM 1801 C ASP B 70 20.818 4.597 0.942 1.00 0.76 C ATOM 1802 O ASP B 70 20.983 3.393 0.900 1.00 0.90 O ATOM 1803 CB ASP B 70 22.803 6.079 1.186 1.00 0.74 C ATOM 1804 CG ASP B 70 23.892 6.837 0.425 1.00 0.77 C ATOM 1805 OD1 ASP B 70 24.400 6.293 -0.541 1.00 1.32 O ATOM 1806 OD2 ASP B 70 24.202 7.949 0.822 1.00 1.36 O ATOM 0 H ASP B 70 21.242 7.617 -0.011 1.00 0.49 H new ATOM 0 HA ASP B 70 22.248 5.029 -0.617 1.00 0.64 H new ATOM 0 HB2 ASP B 70 22.332 6.737 1.917 1.00 0.74 H new ATOM 0 HB3 ASP B 70 23.243 5.250 1.740 1.00 0.74 H new ATOM 1811 N GLY B 71 19.844 5.124 1.629 1.00 0.77 N ATOM 1812 CA GLY B 71 18.900 4.251 2.381 1.00 0.96 C ATOM 1813 C GLY B 71 17.739 5.097 2.908 1.00 1.62 C ATOM 1814 O GLY B 71 16.780 5.275 2.175 1.00 2.29 O ATOM 1815 OXT GLY B 71 17.832 5.558 4.033 1.00 2.32 O ATOM 0 H GLY B 71 19.660 6.125 1.703 1.00 0.77 H new ATOM 0 HA2 GLY B 71 18.523 3.460 1.733 1.00 0.96 H new ATOM 0 HA3 GLY B 71 19.417 3.766 3.209 1.00 0.96 H new TER 1819 GLY B 71