USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 849 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 44 TYR OH : rot 67:sc= 0.328 USER MOD Set 1.2: A 100 GLN : amide:sc= -0.488 X(o=-0.16,f=-0.059) USER MOD Single : A 3 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.046) USER MOD Single : A 5 LYS NZ :NH3+ -161:sc= 0.604 (180deg=-0.147) USER MOD Single : A 7 LYS NZ :NH3+ 145:sc= 1.06 (180deg=0.842) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0928 USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= -1.54 (180deg=-1.73) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 1.68 K(o=1.7,f=-0.22) USER MOD Single : A 25 THR OG1 : rot -170:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 20:sc= -0.926 USER MOD Single : A 31 HIS : +bothHN:sc= -0.387! C(o=-0.39!,f=-6.6!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 153:sc= -0.312 (180deg=-1.71!) USER MOD Single : A 36 SER OG : rot -10:sc= 0.462 USER MOD Single : A 37 THR OG1 : rot -146:sc= -1.16 USER MOD Single : A 39 LYS NZ :NH3+ 147:sc= -0.502 (180deg=-1.53!) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc=-0.00993 (180deg=-0.106) USER MOD Single : A 46 HIS : no HD1:sc= -0.199 K(o=-0.2,f=-1.5) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 140:sc= -0.837 USER MOD Single : A 72 LYS NZ :NH3+ -143:sc= 1.22 (180deg=0.844) USER MOD Single : A 73 LYS NZ :NH3+ -135:sc= 0.429 (180deg=-0.494) USER MOD Single : A 80 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0977) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN :FLIP amide:sc= -0.0248 F(o=-1.1,f=-0.025) USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= -0.0309 (180deg=-0.186) USER MOD Single : A 91 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.024) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -102:sc= 1.24 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 179:sc= -1.47 (180deg=-1.47) USER MOD Single : A 102 GLN : amide:sc= -0.253 K(o=-0.25,f=-0.86) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS :FLIP no HE2:sc= 0.231 F(o=-1.8!,f=0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 17.981 1.005 -13.978 1.00 0.00 N ATOM 2 CA VAL A 2 18.975 1.517 -14.913 1.00 0.00 C ATOM 3 C VAL A 2 19.577 2.839 -14.418 1.00 0.00 C ATOM 4 O VAL A 2 19.076 3.935 -14.695 1.00 0.00 O ATOM 5 CB VAL A 2 18.392 1.664 -16.346 1.00 0.00 C ATOM 6 CG1 VAL A 2 17.110 2.483 -16.347 1.00 0.00 C ATOM 7 CG2 VAL A 2 19.422 2.269 -17.293 1.00 0.00 C ATOM 0 HA VAL A 2 19.780 0.784 -14.964 1.00 0.00 H new ATOM 0 HB VAL A 2 18.144 0.664 -16.703 1.00 0.00 H new ATOM 0 HG11 VAL A 2 16.731 2.565 -17.366 1.00 0.00 H new ATOM 0 HG12 VAL A 2 16.365 1.993 -15.721 1.00 0.00 H new ATOM 0 HG13 VAL A 2 17.314 3.479 -15.955 1.00 0.00 H new ATOM 0 HG21 VAL A 2 18.990 2.362 -18.289 1.00 0.00 H new ATOM 0 HG22 VAL A 2 19.714 3.255 -16.931 1.00 0.00 H new ATOM 0 HG23 VAL A 2 20.299 1.624 -17.337 1.00 0.00 H new ATOM 17 N ASN A 3 20.641 2.705 -13.641 1.00 0.00 N ATOM 18 CA ASN A 3 21.379 3.839 -13.096 1.00 0.00 C ATOM 19 C ASN A 3 22.748 3.343 -12.649 1.00 0.00 C ATOM 20 O ASN A 3 23.327 3.833 -11.677 1.00 0.00 O ATOM 21 CB ASN A 3 20.606 4.478 -11.924 1.00 0.00 C ATOM 22 CG ASN A 3 20.512 3.594 -10.688 1.00 0.00 C ATOM 23 OD1 ASN A 3 19.661 2.706 -10.602 1.00 0.00 O ATOM 24 ND2 ASN A 3 21.357 3.860 -9.706 1.00 0.00 N ATOM 0 H ASN A 3 21.021 1.799 -13.367 1.00 0.00 H new ATOM 0 HA ASN A 3 21.500 4.610 -13.857 1.00 0.00 H new ATOM 0 HB2 ASN A 3 21.090 5.416 -11.651 1.00 0.00 H new ATOM 0 HB3 ASN A 3 19.599 4.725 -12.259 1.00 0.00 H new ATOM 0 HD21 ASN A 3 21.318 3.322 -8.840 1.00 0.00 H new ATOM 0 HD22 ASN A 3 22.048 4.603 -9.815 1.00 0.00 H new ATOM 31 N PHE A 4 23.267 2.394 -13.432 1.00 0.00 N ATOM 32 CA PHE A 4 24.431 1.587 -13.067 1.00 0.00 C ATOM 33 C PHE A 4 24.043 0.588 -11.984 1.00 0.00 C ATOM 34 O PHE A 4 23.628 -0.531 -12.302 1.00 0.00 O ATOM 35 CB PHE A 4 25.634 2.444 -12.637 1.00 0.00 C ATOM 36 CG PHE A 4 26.201 3.283 -13.750 1.00 0.00 C ATOM 37 CD1 PHE A 4 26.985 2.709 -14.735 1.00 0.00 C ATOM 38 CD2 PHE A 4 25.947 4.644 -13.810 1.00 0.00 C ATOM 39 CE1 PHE A 4 27.506 3.475 -15.762 1.00 0.00 C ATOM 40 CE2 PHE A 4 26.466 5.416 -14.833 1.00 0.00 C ATOM 41 CZ PHE A 4 27.245 4.830 -15.810 1.00 0.00 C ATOM 0 H PHE A 4 22.885 2.163 -14.349 1.00 0.00 H new ATOM 0 HA PHE A 4 24.753 1.044 -13.955 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.331 3.097 -11.819 1.00 0.00 H new ATOM 0 HB3 PHE A 4 26.416 1.790 -12.251 1.00 0.00 H new ATOM 0 HD1 PHE A 4 27.193 1.650 -14.702 1.00 0.00 H new ATOM 0 HD2 PHE A 4 25.337 5.107 -13.049 1.00 0.00 H new ATOM 0 HE1 PHE A 4 28.116 3.014 -16.525 1.00 0.00 H new ATOM 0 HE2 PHE A 4 26.262 6.476 -14.867 1.00 0.00 H new ATOM 0 HZ PHE A 4 27.650 5.431 -16.611 1.00 0.00 H new ATOM 51 N LYS A 5 24.149 0.996 -10.722 1.00 0.00 N ATOM 52 CA LYS A 5 23.693 0.183 -9.593 1.00 0.00 C ATOM 53 C LYS A 5 24.059 0.849 -8.279 1.00 0.00 C ATOM 54 O LYS A 5 25.205 1.256 -8.080 1.00 0.00 O ATOM 55 CB LYS A 5 24.302 -1.220 -9.612 1.00 0.00 C ATOM 56 CG LYS A 5 23.499 -2.243 -8.824 1.00 0.00 C ATOM 57 CD LYS A 5 24.164 -3.609 -8.839 1.00 0.00 C ATOM 58 CE LYS A 5 23.289 -4.655 -8.164 1.00 0.00 C ATOM 59 NZ LYS A 5 22.038 -4.915 -8.931 1.00 0.00 N ATOM 0 H LYS A 5 24.551 1.894 -10.452 1.00 0.00 H new ATOM 0 HA LYS A 5 22.611 0.096 -9.686 1.00 0.00 H new ATOM 0 HB2 LYS A 5 24.388 -1.556 -10.645 1.00 0.00 H new ATOM 0 HB3 LYS A 5 25.313 -1.174 -9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 5 23.387 -1.904 -7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 5 22.496 -2.321 -9.244 1.00 0.00 H new ATOM 0 HD2 LYS A 5 24.364 -3.908 -9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 5 25.127 -3.553 -8.331 1.00 0.00 H new ATOM 0 HE2 LYS A 5 23.850 -5.584 -8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 5 23.035 -4.321 -7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 21.337 -5.367 -8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 21.656 -4.016 -9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 22.247 -5.544 -9.733 1.00 0.00 H new ATOM 73 N ASP A 6 23.078 0.938 -7.394 1.00 0.00 N ATOM 74 CA ASP A 6 23.264 1.504 -6.055 1.00 0.00 C ATOM 75 C ASP A 6 21.939 1.594 -5.317 1.00 0.00 C ATOM 76 O ASP A 6 21.028 2.301 -5.753 1.00 0.00 O ATOM 77 CB ASP A 6 23.896 2.899 -6.098 1.00 0.00 C ATOM 78 CG ASP A 6 24.025 3.494 -4.711 1.00 0.00 C ATOM 79 OD1 ASP A 6 24.664 2.863 -3.844 1.00 0.00 O ATOM 80 OD2 ASP A 6 23.466 4.587 -4.469 1.00 0.00 O ATOM 0 H ASP A 6 22.126 0.621 -7.579 1.00 0.00 H new ATOM 0 HA ASP A 6 23.941 0.831 -5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 6 24.880 2.839 -6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 6 23.289 3.555 -6.721 1.00 0.00 H new ATOM 85 N LYS A 7 21.849 0.881 -4.196 1.00 0.00 N ATOM 86 CA LYS A 7 20.670 0.904 -3.332 1.00 0.00 C ATOM 87 C LYS A 7 20.980 0.256 -1.993 1.00 0.00 C ATOM 88 O LYS A 7 21.023 -0.969 -1.879 1.00 0.00 O ATOM 89 CB LYS A 7 19.466 0.195 -3.977 1.00 0.00 C ATOM 90 CG LYS A 7 18.573 1.128 -4.777 1.00 0.00 C ATOM 91 CD LYS A 7 17.974 2.210 -3.891 1.00 0.00 C ATOM 92 CE LYS A 7 17.803 3.517 -4.647 1.00 0.00 C ATOM 93 NZ LYS A 7 19.117 4.138 -4.965 1.00 0.00 N ATOM 0 H LYS A 7 22.593 0.270 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 7 20.405 1.951 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.829 -0.598 -4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.874 -0.282 -3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 7 19.150 1.589 -5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 7 17.774 0.556 -5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 7 17.007 1.878 -3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.617 2.370 -3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.252 3.335 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.207 4.208 -4.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.062 4.613 -5.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 19.359 4.834 -4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 19.850 3.401 -4.998 1.00 0.00 H new ATOM 107 N SER A 8 21.224 1.078 -0.989 1.00 0.00 N ATOM 108 CA SER A 8 21.464 0.578 0.351 1.00 0.00 C ATOM 109 C SER A 8 20.345 1.048 1.272 1.00 0.00 C ATOM 110 O SER A 8 19.782 2.126 1.066 1.00 0.00 O ATOM 111 CB SER A 8 22.825 1.046 0.870 1.00 0.00 C ATOM 112 OG SER A 8 23.209 0.309 2.021 1.00 0.00 O ATOM 0 H SER A 8 21.261 2.094 -1.076 1.00 0.00 H new ATOM 0 HA SER A 8 21.476 -0.512 0.329 1.00 0.00 H new ATOM 0 HB2 SER A 8 23.577 0.927 0.090 1.00 0.00 H new ATOM 0 HB3 SER A 8 22.781 2.108 1.111 1.00 0.00 H new ATOM 0 HG SER A 8 24.083 0.624 2.335 1.00 0.00 H new ATOM 118 N MET A 9 20.036 0.230 2.277 1.00 0.00 N ATOM 119 CA MET A 9 18.891 0.451 3.159 1.00 0.00 C ATOM 120 C MET A 9 17.607 0.592 2.339 1.00 0.00 C ATOM 121 O MET A 9 17.147 1.702 2.057 1.00 0.00 O ATOM 122 CB MET A 9 19.096 1.676 4.059 1.00 0.00 C ATOM 123 CG MET A 9 18.034 1.807 5.142 1.00 0.00 C ATOM 124 SD MET A 9 18.293 3.230 6.222 1.00 0.00 S ATOM 125 CE MET A 9 16.957 2.996 7.396 1.00 0.00 C ATOM 0 H MET A 9 20.574 -0.607 2.503 1.00 0.00 H new ATOM 0 HA MET A 9 18.800 -0.419 3.809 1.00 0.00 H new ATOM 0 HB2 MET A 9 20.078 1.615 4.528 1.00 0.00 H new ATOM 0 HB3 MET A 9 19.092 2.576 3.444 1.00 0.00 H new ATOM 0 HG2 MET A 9 17.054 1.889 4.673 1.00 0.00 H new ATOM 0 HG3 MET A 9 18.024 0.899 5.744 1.00 0.00 H new ATOM 0 HE1 MET A 9 16.977 3.797 8.135 1.00 0.00 H new ATOM 0 HE2 MET A 9 16.003 3.012 6.869 1.00 0.00 H new ATOM 0 HE3 MET A 9 17.078 2.036 7.898 1.00 0.00 H new ATOM 135 N PRO A 10 17.030 -0.549 1.930 1.00 0.00 N ATOM 136 CA PRO A 10 15.863 -0.577 1.044 1.00 0.00 C ATOM 137 C PRO A 10 14.626 0.076 1.659 1.00 0.00 C ATOM 138 O PRO A 10 14.015 -0.459 2.587 1.00 0.00 O ATOM 139 CB PRO A 10 15.617 -2.074 0.812 1.00 0.00 C ATOM 140 CG PRO A 10 16.286 -2.756 1.954 1.00 0.00 C ATOM 141 CD PRO A 10 17.467 -1.903 2.312 1.00 0.00 C ATOM 0 HA PRO A 10 16.048 -0.012 0.130 1.00 0.00 H new ATOM 0 HB2 PRO A 10 14.551 -2.300 0.787 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.034 -2.399 -0.141 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.607 -2.856 2.800 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.601 -3.762 1.677 1.00 0.00 H new ATOM 0 HD2 PRO A 10 17.702 -1.966 3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 10 18.362 -2.206 1.769 1.00 0.00 H new ATOM 149 N THR A 11 14.268 1.240 1.138 1.00 0.00 N ATOM 150 CA THR A 11 13.080 1.945 1.578 1.00 0.00 C ATOM 151 C THR A 11 11.833 1.394 0.886 1.00 0.00 C ATOM 152 O THR A 11 11.283 2.013 -0.026 1.00 0.00 O ATOM 153 CB THR A 11 13.214 3.452 1.302 1.00 0.00 C ATOM 154 OG1 THR A 11 14.034 3.654 0.138 1.00 0.00 O ATOM 155 CG2 THR A 11 13.815 4.170 2.503 1.00 0.00 C ATOM 0 H THR A 11 14.791 1.717 0.404 1.00 0.00 H new ATOM 0 HA THR A 11 12.976 1.792 2.652 1.00 0.00 H new ATOM 0 HB THR A 11 12.222 3.868 1.123 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.119 4.614 -0.040 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.900 5.235 2.285 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.172 4.028 3.371 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.804 3.762 2.713 1.00 0.00 H new ATOM 163 N ALA A 12 11.407 0.213 1.311 1.00 0.00 N ATOM 164 CA ALA A 12 10.239 -0.431 0.733 1.00 0.00 C ATOM 165 C ALA A 12 8.970 0.277 1.176 1.00 0.00 C ATOM 166 O ALA A 12 8.046 0.473 0.385 1.00 0.00 O ATOM 167 CB ALA A 12 10.196 -1.902 1.124 1.00 0.00 C ATOM 0 H ALA A 12 11.855 -0.319 2.057 1.00 0.00 H new ATOM 0 HA ALA A 12 10.308 -0.366 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.316 -2.370 0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.093 -2.402 0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.148 -1.989 2.209 1.00 0.00 H new ATOM 173 N ILE A 13 8.942 0.673 2.446 1.00 0.00 N ATOM 174 CA ILE A 13 7.796 1.375 3.013 1.00 0.00 C ATOM 175 C ILE A 13 7.581 2.717 2.314 1.00 0.00 C ATOM 176 O ILE A 13 6.492 2.995 1.817 1.00 0.00 O ATOM 177 CB ILE A 13 7.979 1.606 4.530 1.00 0.00 C ATOM 178 CG1 ILE A 13 8.200 0.268 5.242 1.00 0.00 C ATOM 179 CG2 ILE A 13 6.772 2.330 5.116 1.00 0.00 C ATOM 180 CD1 ILE A 13 8.484 0.398 6.723 1.00 0.00 C ATOM 0 H ILE A 13 9.705 0.518 3.105 1.00 0.00 H new ATOM 0 HA ILE A 13 6.919 0.747 2.857 1.00 0.00 H new ATOM 0 HB ILE A 13 8.857 2.234 4.682 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.316 -0.355 5.105 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.032 -0.251 4.767 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.923 2.482 6.185 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.654 3.296 4.625 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.876 1.730 4.958 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.629 -0.593 7.154 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.386 0.993 6.870 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.643 0.888 7.213 1.00 0.00 H new ATOM 192 N GLU A 14 8.634 3.527 2.260 1.00 0.00 N ATOM 193 CA GLU A 14 8.570 4.845 1.630 1.00 0.00 C ATOM 194 C GLU A 14 8.127 4.729 0.171 1.00 0.00 C ATOM 195 O GLU A 14 7.343 5.541 -0.316 1.00 0.00 O ATOM 196 CB GLU A 14 9.942 5.523 1.721 1.00 0.00 C ATOM 197 CG GLU A 14 9.969 6.952 1.202 1.00 0.00 C ATOM 198 CD GLU A 14 9.034 7.872 1.958 1.00 0.00 C ATOM 199 OE1 GLU A 14 9.118 7.928 3.203 1.00 0.00 O ATOM 200 OE2 GLU A 14 8.210 8.546 1.311 1.00 0.00 O ATOM 0 H GLU A 14 9.548 3.293 2.647 1.00 0.00 H new ATOM 0 HA GLU A 14 7.834 5.452 2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.267 5.520 2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.665 4.931 1.159 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.986 7.339 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.698 6.955 0.146 1.00 0.00 H new ATOM 207 N LYS A 15 8.622 3.700 -0.508 1.00 0.00 N ATOM 208 CA LYS A 15 8.257 3.442 -1.895 1.00 0.00 C ATOM 209 C LYS A 15 6.754 3.191 -2.022 1.00 0.00 C ATOM 210 O LYS A 15 6.066 3.848 -2.804 1.00 0.00 O ATOM 211 CB LYS A 15 9.022 2.227 -2.418 1.00 0.00 C ATOM 212 CG LYS A 15 8.832 1.970 -3.906 1.00 0.00 C ATOM 213 CD LYS A 15 9.265 0.563 -4.279 1.00 0.00 C ATOM 214 CE LYS A 15 10.713 0.298 -3.899 1.00 0.00 C ATOM 215 NZ LYS A 15 11.077 -1.129 -4.101 1.00 0.00 N ATOM 0 H LYS A 15 9.281 3.027 -0.117 1.00 0.00 H new ATOM 0 HA LYS A 15 8.517 4.320 -2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.084 2.365 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.704 1.344 -1.864 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.785 2.114 -4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.409 2.695 -4.480 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.620 -0.160 -3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.138 0.416 -5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.369 0.930 -4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.872 0.571 -2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.084 -1.265 -3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.502 -1.726 -3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.900 -1.396 -5.091 1.00 0.00 H new ATOM 229 N ALA A 16 6.254 2.240 -1.237 1.00 0.00 N ATOM 230 CA ALA A 16 4.845 1.873 -1.274 1.00 0.00 C ATOM 231 C ALA A 16 3.966 3.061 -0.911 1.00 0.00 C ATOM 232 O ALA A 16 2.893 3.257 -1.486 1.00 0.00 O ATOM 233 CB ALA A 16 4.579 0.713 -0.330 1.00 0.00 C ATOM 0 H ALA A 16 6.808 1.709 -0.565 1.00 0.00 H new ATOM 0 HA ALA A 16 4.599 1.564 -2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.522 0.449 -0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.179 -0.146 -0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.845 1.003 0.687 1.00 0.00 H new ATOM 239 N LEU A 17 4.439 3.862 0.033 1.00 0.00 N ATOM 240 CA LEU A 17 3.713 5.044 0.475 1.00 0.00 C ATOM 241 C LEU A 17 3.631 6.097 -0.623 1.00 0.00 C ATOM 242 O LEU A 17 2.673 6.865 -0.677 1.00 0.00 O ATOM 243 CB LEU A 17 4.361 5.635 1.729 1.00 0.00 C ATOM 244 CG LEU A 17 3.742 5.182 3.052 1.00 0.00 C ATOM 245 CD1 LEU A 17 2.286 5.593 3.108 1.00 0.00 C ATOM 246 CD2 LEU A 17 3.871 3.679 3.236 1.00 0.00 C ATOM 0 H LEU A 17 5.328 3.713 0.510 1.00 0.00 H new ATOM 0 HA LEU A 17 2.696 4.733 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.419 5.372 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.303 6.722 1.672 1.00 0.00 H new ATOM 0 HG LEU A 17 4.284 5.666 3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.852 5.267 4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.211 6.678 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.745 5.131 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.421 3.389 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.359 3.167 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.925 3.401 3.234 1.00 0.00 H new ATOM 258 N ASP A 18 4.625 6.123 -1.501 1.00 0.00 N ATOM 259 CA ASP A 18 4.631 7.065 -2.617 1.00 0.00 C ATOM 260 C ASP A 18 3.600 6.658 -3.663 1.00 0.00 C ATOM 261 O ASP A 18 2.987 7.506 -4.310 1.00 0.00 O ATOM 262 CB ASP A 18 6.025 7.155 -3.247 1.00 0.00 C ATOM 263 CG ASP A 18 6.076 8.130 -4.408 1.00 0.00 C ATOM 264 OD1 ASP A 18 5.788 9.330 -4.202 1.00 0.00 O ATOM 265 OD2 ASP A 18 6.418 7.704 -5.532 1.00 0.00 O ATOM 0 H ASP A 18 5.436 5.505 -1.464 1.00 0.00 H new ATOM 0 HA ASP A 18 4.367 8.050 -2.232 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.744 7.461 -2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.328 6.167 -3.593 1.00 0.00 H new ATOM 270 N PHE A 19 3.407 5.352 -3.818 1.00 0.00 N ATOM 271 CA PHE A 19 2.374 4.833 -4.711 1.00 0.00 C ATOM 272 C PHE A 19 0.985 5.166 -4.182 1.00 0.00 C ATOM 273 O PHE A 19 0.099 5.556 -4.941 1.00 0.00 O ATOM 274 CB PHE A 19 2.502 3.319 -4.873 1.00 0.00 C ATOM 275 CG PHE A 19 3.609 2.893 -5.792 1.00 0.00 C ATOM 276 CD1 PHE A 19 3.397 2.829 -7.160 1.00 0.00 C ATOM 277 CD2 PHE A 19 4.851 2.549 -5.292 1.00 0.00 C ATOM 278 CE1 PHE A 19 4.409 2.430 -8.011 1.00 0.00 C ATOM 279 CE2 PHE A 19 5.866 2.148 -6.136 1.00 0.00 C ATOM 280 CZ PHE A 19 5.645 2.088 -7.498 1.00 0.00 C ATOM 0 H PHE A 19 3.950 4.634 -3.339 1.00 0.00 H new ATOM 0 HA PHE A 19 2.512 5.308 -5.682 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.666 2.872 -3.892 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.559 2.924 -5.250 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.431 3.094 -7.565 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.029 2.595 -4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.234 2.385 -9.076 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.832 1.881 -5.732 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.438 1.774 -8.161 1.00 0.00 H new ATOM 290 N ILE A 20 0.806 5.004 -2.877 1.00 0.00 N ATOM 291 CA ILE A 20 -0.483 5.253 -2.247 1.00 0.00 C ATOM 292 C ILE A 20 -0.732 6.750 -2.083 1.00 0.00 C ATOM 293 O ILE A 20 -1.563 7.327 -2.780 1.00 0.00 O ATOM 294 CB ILE A 20 -0.586 4.558 -0.868 1.00 0.00 C ATOM 295 CG1 ILE A 20 -0.328 3.054 -1.014 1.00 0.00 C ATOM 296 CG2 ILE A 20 -1.956 4.807 -0.246 1.00 0.00 C ATOM 297 CD1 ILE A 20 -0.302 2.313 0.306 1.00 0.00 C ATOM 0 H ILE A 20 1.538 4.701 -2.235 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.245 4.834 -2.904 1.00 0.00 H new ATOM 0 HB ILE A 20 0.172 4.979 -0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.101 2.621 -1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.624 2.905 -1.524 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.011 4.311 0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.107 5.879 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.731 4.409 -0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.115 1.254 0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.490 2.719 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.262 2.431 0.809 1.00 0.00 H new ATOM 309 N GLY A 21 0.019 7.382 -1.190 1.00 0.00 N ATOM 310 CA GLY A 21 -0.186 8.788 -0.905 1.00 0.00 C ATOM 311 C GLY A 21 0.615 9.677 -1.829 1.00 0.00 C ATOM 312 O GLY A 21 1.371 10.538 -1.380 1.00 0.00 O ATOM 0 H GLY A 21 0.769 6.943 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.245 9.026 -1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.094 8.993 0.128 1.00 0.00 H new ATOM 316 N GLY A 22 0.455 9.463 -3.125 1.00 0.00 N ATOM 317 CA GLY A 22 1.182 10.244 -4.098 1.00 0.00 C ATOM 318 C GLY A 22 0.322 11.314 -4.734 1.00 0.00 C ATOM 319 O GLY A 22 -0.581 11.858 -4.100 1.00 0.00 O ATOM 0 H GLY A 22 -0.168 8.759 -3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.042 10.710 -3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.570 9.584 -4.874 1.00 0.00 H new ATOM 323 N MET A 23 0.592 11.602 -5.997 1.00 0.00 N ATOM 324 CA MET A 23 -0.130 12.639 -6.723 1.00 0.00 C ATOM 325 C MET A 23 -1.342 12.055 -7.451 1.00 0.00 C ATOM 326 O MET A 23 -1.700 12.503 -8.541 1.00 0.00 O ATOM 327 CB MET A 23 0.806 13.326 -7.725 1.00 0.00 C ATOM 328 CG MET A 23 1.431 12.372 -8.736 1.00 0.00 C ATOM 329 SD MET A 23 2.502 13.209 -9.921 1.00 0.00 S ATOM 330 CE MET A 23 3.096 11.817 -10.882 1.00 0.00 C ATOM 0 H MET A 23 1.311 11.130 -6.545 1.00 0.00 H new ATOM 0 HA MET A 23 -0.488 13.375 -6.003 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.249 14.094 -8.261 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.601 13.832 -7.177 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.007 11.614 -8.205 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.639 11.851 -9.274 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.773 12.173 -11.659 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.626 11.124 -10.229 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.251 11.306 -11.343 1.00 0.00 H new ATOM 340 N ASN A 24 -1.989 11.077 -6.829 1.00 0.00 N ATOM 341 CA ASN A 24 -3.113 10.382 -7.453 1.00 0.00 C ATOM 342 C ASN A 24 -4.408 11.173 -7.288 1.00 0.00 C ATOM 343 O ASN A 24 -5.324 10.735 -6.591 1.00 0.00 O ATOM 344 CB ASN A 24 -3.300 8.989 -6.847 1.00 0.00 C ATOM 345 CG ASN A 24 -2.049 8.137 -6.868 1.00 0.00 C ATOM 346 OD1 ASN A 24 -1.211 8.248 -7.765 1.00 0.00 O ATOM 347 ND2 ASN A 24 -1.921 7.279 -5.873 1.00 0.00 N ATOM 0 H ASN A 24 -1.756 10.746 -5.893 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.883 10.287 -8.514 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.638 9.095 -5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.090 8.470 -7.390 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.102 6.673 -5.825 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.641 7.222 -5.153 1.00 0.00 H new ATOM 354 N THR A 25 -4.470 12.336 -7.935 1.00 0.00 N ATOM 355 CA THR A 25 -5.645 13.203 -7.881 1.00 0.00 C ATOM 356 C THR A 25 -5.851 13.788 -6.480 1.00 0.00 C ATOM 357 O THR A 25 -6.161 13.072 -5.524 1.00 0.00 O ATOM 358 CB THR A 25 -6.920 12.452 -8.326 1.00 0.00 C ATOM 359 OG1 THR A 25 -6.748 11.943 -9.658 1.00 0.00 O ATOM 360 CG2 THR A 25 -8.137 13.367 -8.286 1.00 0.00 C ATOM 0 H THR A 25 -3.710 12.702 -8.509 1.00 0.00 H new ATOM 0 HA THR A 25 -5.462 14.024 -8.575 1.00 0.00 H new ATOM 0 HB THR A 25 -7.085 11.626 -7.634 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.606 11.608 -9.994 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.020 12.812 -8.604 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.284 13.732 -7.270 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.979 14.212 -8.956 1.00 0.00 H new ATOM 368 N SER A 26 -5.670 15.096 -6.363 1.00 0.00 N ATOM 369 CA SER A 26 -5.898 15.788 -5.106 1.00 0.00 C ATOM 370 C SER A 26 -7.386 15.770 -4.753 1.00 0.00 C ATOM 371 O SER A 26 -8.145 16.648 -5.158 1.00 0.00 O ATOM 372 CB SER A 26 -5.375 17.225 -5.204 1.00 0.00 C ATOM 373 OG SER A 26 -4.046 17.242 -5.703 1.00 0.00 O ATOM 0 H SER A 26 -5.365 15.699 -7.127 1.00 0.00 H new ATOM 0 HA SER A 26 -5.357 15.276 -4.310 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.022 17.809 -5.859 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.406 17.696 -4.222 1.00 0.00 H new ATOM 0 HG SER A 26 -3.730 18.168 -5.760 1.00 0.00 H new ATOM 379 N ALA A 27 -7.793 14.733 -4.033 1.00 0.00 N ATOM 380 CA ALA A 27 -9.185 14.539 -3.659 1.00 0.00 C ATOM 381 C ALA A 27 -9.277 13.675 -2.410 1.00 0.00 C ATOM 382 O ALA A 27 -8.266 13.404 -1.760 1.00 0.00 O ATOM 383 CB ALA A 27 -9.955 13.901 -4.808 1.00 0.00 C ATOM 0 H ALA A 27 -7.167 14.004 -3.693 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.630 15.510 -3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.996 13.761 -4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.908 14.550 -5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.513 12.934 -5.050 1.00 0.00 H new ATOM 389 N SER A 28 -10.477 13.208 -2.105 1.00 0.00 N ATOM 390 CA SER A 28 -10.717 12.472 -0.875 1.00 0.00 C ATOM 391 C SER A 28 -11.588 11.260 -1.159 1.00 0.00 C ATOM 392 O SER A 28 -11.130 10.121 -1.073 1.00 0.00 O ATOM 393 CB SER A 28 -11.382 13.378 0.169 1.00 0.00 C ATOM 394 OG SER A 28 -11.507 12.723 1.423 1.00 0.00 O ATOM 0 H SER A 28 -11.301 13.326 -2.694 1.00 0.00 H new ATOM 0 HA SER A 28 -9.762 12.132 -0.475 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.794 14.288 0.290 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.368 13.680 -0.185 1.00 0.00 H new ATOM 0 HG SER A 28 -10.879 11.972 1.464 1.00 0.00 H new ATOM 400 N VAL A 29 -12.835 11.512 -1.525 1.00 0.00 N ATOM 401 CA VAL A 29 -13.756 10.441 -1.869 1.00 0.00 C ATOM 402 C VAL A 29 -13.505 9.952 -3.297 1.00 0.00 C ATOM 403 O VAL A 29 -13.298 8.757 -3.510 1.00 0.00 O ATOM 404 CB VAL A 29 -15.235 10.864 -1.708 1.00 0.00 C ATOM 405 CG1 VAL A 29 -16.166 9.693 -1.979 1.00 0.00 C ATOM 406 CG2 VAL A 29 -15.485 11.432 -0.320 1.00 0.00 C ATOM 0 H VAL A 29 -13.232 12.449 -1.591 1.00 0.00 H new ATOM 0 HA VAL A 29 -13.569 9.626 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 29 -15.444 11.643 -2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -17.200 10.015 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -16.013 9.334 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -15.953 8.888 -1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -16.531 11.723 -0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -15.252 10.676 0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.851 12.305 -0.164 1.00 0.00 H new ATOM 416 N PRO A 30 -13.489 10.856 -4.306 1.00 0.00 N ATOM 417 CA PRO A 30 -13.263 10.471 -5.686 1.00 0.00 C ATOM 418 C PRO A 30 -11.780 10.394 -6.018 1.00 0.00 C ATOM 419 O PRO A 30 -11.226 11.281 -6.669 1.00 0.00 O ATOM 420 CB PRO A 30 -13.944 11.584 -6.498 1.00 0.00 C ATOM 421 CG PRO A 30 -14.379 12.621 -5.508 1.00 0.00 C ATOM 422 CD PRO A 30 -13.679 12.305 -4.217 1.00 0.00 C ATOM 0 HA PRO A 30 -13.660 9.479 -5.902 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.256 12.009 -7.229 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.797 11.194 -7.053 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.118 13.621 -5.855 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.461 12.601 -5.377 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.730 12.834 -4.130 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.280 12.583 -3.351 1.00 0.00 H new ATOM 430 N HIS A 31 -11.126 9.352 -5.526 1.00 0.00 N ATOM 431 CA HIS A 31 -9.747 9.092 -5.897 1.00 0.00 C ATOM 432 C HIS A 31 -9.726 8.227 -7.154 1.00 0.00 C ATOM 433 O HIS A 31 -10.700 7.534 -7.441 1.00 0.00 O ATOM 434 CB HIS A 31 -8.975 8.424 -4.757 1.00 0.00 C ATOM 435 CG HIS A 31 -8.158 9.391 -3.958 1.00 0.00 C ATOM 436 ND1 HIS A 31 -6.817 9.610 -4.187 1.00 0.00 N ATOM 437 CD2 HIS A 31 -8.498 10.208 -2.936 1.00 0.00 C ATOM 438 CE1 HIS A 31 -6.367 10.517 -3.344 1.00 0.00 C ATOM 439 NE2 HIS A 31 -7.368 10.900 -2.572 1.00 0.00 N ATOM 0 H HIS A 31 -11.527 8.678 -4.873 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.250 10.041 -6.101 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.679 7.919 -4.096 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.319 7.657 -5.170 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -6.258 9.142 -4.900 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -9.477 10.300 -2.488 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -5.353 10.885 -3.293 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -7.311 11.595 -1.828 1.00 0.00 H new ATOM 448 N SER A 32 -8.633 8.255 -7.895 1.00 0.00 N ATOM 449 CA SER A 32 -8.613 7.635 -9.213 1.00 0.00 C ATOM 450 C SER A 32 -8.035 6.225 -9.177 1.00 0.00 C ATOM 451 O SER A 32 -8.769 5.234 -9.151 1.00 0.00 O ATOM 452 CB SER A 32 -7.812 8.509 -10.189 1.00 0.00 C ATOM 453 OG SER A 32 -7.863 8.004 -11.515 1.00 0.00 O ATOM 0 H SER A 32 -7.756 8.694 -7.614 1.00 0.00 H new ATOM 0 HA SER A 32 -9.645 7.554 -9.554 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.205 9.526 -10.172 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.774 8.563 -9.860 1.00 0.00 H new ATOM 0 HG SER A 32 -7.344 8.587 -12.107 1.00 0.00 H new ATOM 459 N MET A 33 -6.719 6.141 -9.151 1.00 0.00 N ATOM 460 CA MET A 33 -6.029 4.871 -9.285 1.00 0.00 C ATOM 461 C MET A 33 -5.925 4.182 -7.934 1.00 0.00 C ATOM 462 O MET A 33 -5.797 2.961 -7.848 1.00 0.00 O ATOM 463 CB MET A 33 -4.635 5.119 -9.858 1.00 0.00 C ATOM 464 CG MET A 33 -3.887 3.857 -10.236 1.00 0.00 C ATOM 465 SD MET A 33 -2.114 4.140 -10.365 1.00 0.00 S ATOM 466 CE MET A 33 -1.760 4.625 -8.677 1.00 0.00 C ATOM 0 H MET A 33 -6.101 6.944 -9.037 1.00 0.00 H new ATOM 0 HA MET A 33 -6.590 4.223 -9.958 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.724 5.753 -10.740 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.046 5.672 -9.126 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.078 3.085 -9.491 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.265 3.482 -11.187 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.725 4.381 -8.438 1.00 0.00 H new ATOM 0 HE2 MET A 33 -1.915 5.698 -8.567 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.425 4.091 -7.998 1.00 0.00 H new ATOM 476 N ASP A 34 -6.021 4.988 -6.890 1.00 0.00 N ATOM 477 CA ASP A 34 -5.795 4.549 -5.516 1.00 0.00 C ATOM 478 C ASP A 34 -6.654 3.351 -5.146 1.00 0.00 C ATOM 479 O ASP A 34 -6.174 2.415 -4.524 1.00 0.00 O ATOM 480 CB ASP A 34 -6.104 5.691 -4.555 1.00 0.00 C ATOM 481 CG ASP A 34 -5.509 6.998 -5.013 1.00 0.00 C ATOM 482 OD1 ASP A 34 -6.124 7.655 -5.888 1.00 0.00 O ATOM 483 OD2 ASP A 34 -4.447 7.386 -4.500 1.00 0.00 O ATOM 0 H ASP A 34 -6.260 5.976 -6.969 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.749 4.252 -5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.184 5.800 -4.458 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.718 5.445 -3.566 1.00 0.00 H new ATOM 488 N GLU A 35 -7.917 3.385 -5.549 1.00 0.00 N ATOM 489 CA GLU A 35 -8.888 2.367 -5.148 1.00 0.00 C ATOM 490 C GLU A 35 -8.351 0.946 -5.394 1.00 0.00 C ATOM 491 O GLU A 35 -7.910 0.243 -4.467 1.00 0.00 O ATOM 492 CB GLU A 35 -10.194 2.588 -5.926 1.00 0.00 C ATOM 493 CG GLU A 35 -11.449 2.076 -5.231 1.00 0.00 C ATOM 494 CD GLU A 35 -11.417 0.590 -4.951 1.00 0.00 C ATOM 495 OE1 GLU A 35 -11.304 -0.204 -5.915 1.00 0.00 O ATOM 496 OE2 GLU A 35 -11.483 0.206 -3.765 1.00 0.00 O ATOM 0 H GLU A 35 -8.298 4.110 -6.157 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.073 2.462 -4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.311 3.655 -6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.109 2.099 -6.897 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.579 2.613 -4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.317 2.303 -5.851 1.00 0.00 H new ATOM 503 N SER A 36 -8.359 0.541 -6.651 1.00 0.00 N ATOM 504 CA SER A 36 -8.017 -0.820 -7.010 1.00 0.00 C ATOM 505 C SER A 36 -6.512 -1.061 -6.939 1.00 0.00 C ATOM 506 O SER A 36 -6.072 -2.128 -6.507 1.00 0.00 O ATOM 507 CB SER A 36 -8.544 -1.128 -8.408 1.00 0.00 C ATOM 508 OG SER A 36 -9.934 -0.844 -8.494 1.00 0.00 O ATOM 0 H SER A 36 -8.600 1.139 -7.442 1.00 0.00 H new ATOM 0 HA SER A 36 -8.485 -1.491 -6.290 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.001 -0.537 -9.145 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.366 -2.177 -8.646 1.00 0.00 H new ATOM 0 HG SER A 36 -10.288 -0.666 -7.598 1.00 0.00 H new ATOM 514 N THR A 37 -5.727 -0.067 -7.337 1.00 0.00 N ATOM 515 CA THR A 37 -4.282 -0.222 -7.405 1.00 0.00 C ATOM 516 C THR A 37 -3.654 -0.343 -6.019 1.00 0.00 C ATOM 517 O THR A 37 -2.854 -1.248 -5.784 1.00 0.00 O ATOM 518 CB THR A 37 -3.644 0.936 -8.185 1.00 0.00 C ATOM 519 OG1 THR A 37 -4.120 0.909 -9.537 1.00 0.00 O ATOM 520 CG2 THR A 37 -2.125 0.849 -8.169 1.00 0.00 C ATOM 0 H THR A 37 -6.068 0.853 -7.617 1.00 0.00 H new ATOM 0 HA THR A 37 -4.084 -1.153 -7.937 1.00 0.00 H new ATOM 0 HB THR A 37 -3.927 1.873 -7.706 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.410 1.214 -10.140 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.707 1.684 -8.731 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.769 0.889 -7.140 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.809 -0.089 -8.625 1.00 0.00 H new ATOM 528 N ALA A 38 -4.027 0.536 -5.096 1.00 0.00 N ATOM 529 CA ALA A 38 -3.470 0.476 -3.752 1.00 0.00 C ATOM 530 C ALA A 38 -3.907 -0.803 -3.055 1.00 0.00 C ATOM 531 O ALA A 38 -3.118 -1.423 -2.344 1.00 0.00 O ATOM 532 CB ALA A 38 -3.854 1.696 -2.927 1.00 0.00 C ATOM 0 H ALA A 38 -4.701 1.286 -5.250 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.384 0.474 -3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.419 1.613 -1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.479 2.597 -3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.939 1.753 -2.845 1.00 0.00 H new ATOM 538 N LYS A 39 -5.160 -1.212 -3.275 1.00 0.00 N ATOM 539 CA LYS A 39 -5.644 -2.473 -2.721 1.00 0.00 C ATOM 540 C LYS A 39 -4.822 -3.646 -3.259 1.00 0.00 C ATOM 541 O LYS A 39 -4.456 -4.564 -2.518 1.00 0.00 O ATOM 542 CB LYS A 39 -7.122 -2.676 -3.057 1.00 0.00 C ATOM 543 CG LYS A 39 -7.753 -3.846 -2.317 1.00 0.00 C ATOM 544 CD LYS A 39 -9.198 -4.104 -2.736 1.00 0.00 C ATOM 545 CE LYS A 39 -10.103 -2.911 -2.464 1.00 0.00 C ATOM 546 NZ LYS A 39 -10.042 -1.902 -3.553 1.00 0.00 N ATOM 0 H LYS A 39 -5.846 -0.695 -3.825 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.533 -2.432 -1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.670 -1.765 -2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.225 -2.836 -4.130 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.162 -4.744 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.720 -3.652 -1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.228 -4.344 -3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.578 -4.974 -2.202 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.130 -3.255 -2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.814 -2.445 -1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.970 -1.445 -3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.326 -1.184 -3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.787 -2.370 -4.446 1.00 0.00 H new ATOM 560 N GLY A 40 -4.528 -3.602 -4.555 1.00 0.00 N ATOM 561 CA GLY A 40 -3.744 -4.646 -5.184 1.00 0.00 C ATOM 562 C GLY A 40 -2.305 -4.653 -4.706 1.00 0.00 C ATOM 563 O GLY A 40 -1.757 -5.709 -4.396 1.00 0.00 O ATOM 0 H GLY A 40 -4.822 -2.855 -5.184 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.199 -5.614 -4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.765 -4.511 -6.265 1.00 0.00 H new ATOM 567 N ILE A 41 -1.696 -3.469 -4.636 1.00 0.00 N ATOM 568 CA ILE A 41 -0.316 -3.335 -4.185 1.00 0.00 C ATOM 569 C ILE A 41 -0.150 -3.870 -2.762 1.00 0.00 C ATOM 570 O ILE A 41 0.811 -4.580 -2.473 1.00 0.00 O ATOM 571 CB ILE A 41 0.169 -1.866 -4.259 1.00 0.00 C ATOM 572 CG1 ILE A 41 0.292 -1.423 -5.721 1.00 0.00 C ATOM 573 CG2 ILE A 41 1.497 -1.692 -3.530 1.00 0.00 C ATOM 574 CD1 ILE A 41 0.784 -0.002 -5.894 1.00 0.00 C ATOM 0 H ILE A 41 -2.142 -2.587 -4.888 1.00 0.00 H new ATOM 0 HA ILE A 41 0.300 -3.930 -4.859 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.569 -1.235 -3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.974 -2.098 -6.238 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.681 -1.521 -6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.815 -0.652 -3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.376 -1.968 -2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.251 -2.332 -3.989 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.844 0.236 -6.956 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.091 0.685 -5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.771 0.099 -5.443 1.00 0.00 H new ATOM 586 N LEU A 42 -1.104 -3.546 -1.888 1.00 0.00 N ATOM 587 CA LEU A 42 -1.076 -4.029 -0.508 1.00 0.00 C ATOM 588 C LEU A 42 -1.039 -5.555 -0.471 1.00 0.00 C ATOM 589 O LEU A 42 -0.216 -6.147 0.230 1.00 0.00 O ATOM 590 CB LEU A 42 -2.290 -3.516 0.273 1.00 0.00 C ATOM 591 CG LEU A 42 -2.313 -2.007 0.530 1.00 0.00 C ATOM 592 CD1 LEU A 42 -3.595 -1.612 1.243 1.00 0.00 C ATOM 593 CD2 LEU A 42 -1.098 -1.582 1.346 1.00 0.00 C ATOM 0 H LEU A 42 -1.903 -2.953 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.171 -3.645 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.194 -3.789 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.328 -4.032 1.232 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.277 -1.494 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.597 -0.536 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.452 -1.880 0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.657 -2.136 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.133 -0.506 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.103 -2.103 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.188 -1.833 0.801 1.00 0.00 H new ATOM 605 N LYS A 43 -1.917 -6.187 -1.241 1.00 0.00 N ATOM 606 CA LYS A 43 -1.960 -7.643 -1.301 1.00 0.00 C ATOM 607 C LYS A 43 -0.703 -8.207 -1.948 1.00 0.00 C ATOM 608 O LYS A 43 -0.196 -9.244 -1.523 1.00 0.00 O ATOM 609 CB LYS A 43 -3.204 -8.127 -2.050 1.00 0.00 C ATOM 610 CG LYS A 43 -4.456 -8.128 -1.186 1.00 0.00 C ATOM 611 CD LYS A 43 -5.696 -8.564 -1.951 1.00 0.00 C ATOM 612 CE LYS A 43 -5.593 -9.987 -2.483 1.00 0.00 C ATOM 613 NZ LYS A 43 -5.253 -10.983 -1.425 1.00 0.00 N ATOM 0 H LYS A 43 -2.605 -5.717 -1.829 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.010 -8.009 -0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.369 -7.489 -2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.027 -9.135 -2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.306 -8.794 -0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.615 -7.128 -0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.565 -8.487 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.862 -7.881 -2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.540 -10.265 -2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.834 -10.023 -3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.346 -11.944 -1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.275 -10.831 -1.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.901 -10.869 -0.620 1.00 0.00 H new ATOM 627 N TYR A 44 -0.194 -7.518 -2.960 1.00 0.00 N ATOM 628 CA TYR A 44 1.003 -7.959 -3.657 1.00 0.00 C ATOM 629 C TYR A 44 2.214 -7.911 -2.728 1.00 0.00 C ATOM 630 O TYR A 44 3.011 -8.845 -2.687 1.00 0.00 O ATOM 631 CB TYR A 44 1.247 -7.094 -4.898 1.00 0.00 C ATOM 632 CG TYR A 44 2.390 -7.576 -5.767 1.00 0.00 C ATOM 633 CD1 TYR A 44 2.270 -8.742 -6.515 1.00 0.00 C ATOM 634 CD2 TYR A 44 3.585 -6.870 -5.842 1.00 0.00 C ATOM 635 CE1 TYR A 44 3.307 -9.190 -7.310 1.00 0.00 C ATOM 636 CE2 TYR A 44 4.626 -7.312 -6.636 1.00 0.00 C ATOM 637 CZ TYR A 44 4.482 -8.472 -7.367 1.00 0.00 C ATOM 638 OH TYR A 44 5.518 -8.917 -8.157 1.00 0.00 O ATOM 0 H TYR A 44 -0.593 -6.650 -3.316 1.00 0.00 H new ATOM 0 HA TYR A 44 0.855 -8.991 -3.976 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.336 -7.068 -5.495 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.451 -6.071 -4.581 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.350 -9.307 -6.474 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.702 -5.961 -5.270 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.198 -10.098 -7.884 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.548 -6.751 -6.684 1.00 0.00 H new ATOM 0 HH TYR A 44 5.259 -8.856 -9.100 1.00 0.00 H new ATOM 648 N LEU A 45 2.339 -6.826 -1.971 1.00 0.00 N ATOM 649 CA LEU A 45 3.451 -6.671 -1.040 1.00 0.00 C ATOM 650 C LEU A 45 3.362 -7.696 0.087 1.00 0.00 C ATOM 651 O LEU A 45 4.368 -8.295 0.472 1.00 0.00 O ATOM 652 CB LEU A 45 3.483 -5.257 -0.459 1.00 0.00 C ATOM 653 CG LEU A 45 3.782 -4.150 -1.470 1.00 0.00 C ATOM 654 CD1 LEU A 45 3.762 -2.795 -0.787 1.00 0.00 C ATOM 655 CD2 LEU A 45 5.127 -4.386 -2.145 1.00 0.00 C ATOM 0 H LEU A 45 1.686 -6.043 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 45 4.374 -6.840 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.520 -5.051 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.235 -5.221 0.329 1.00 0.00 H new ATOM 0 HG LEU A 45 3.008 -4.166 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.976 -2.016 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.778 -2.622 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.517 -2.773 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.320 -3.587 -2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.915 -4.397 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.110 -5.343 -2.666 1.00 0.00 H new ATOM 667 N HIS A 46 2.150 -7.902 0.601 1.00 0.00 N ATOM 668 CA HIS A 46 1.926 -8.886 1.659 1.00 0.00 C ATOM 669 C HIS A 46 2.255 -10.280 1.143 1.00 0.00 C ATOM 670 O HIS A 46 2.737 -11.132 1.885 1.00 0.00 O ATOM 671 CB HIS A 46 0.474 -8.840 2.147 1.00 0.00 C ATOM 672 CG HIS A 46 0.240 -9.549 3.449 1.00 0.00 C ATOM 673 ND1 HIS A 46 -0.053 -10.893 3.542 1.00 0.00 N ATOM 674 CD2 HIS A 46 0.227 -9.080 4.720 1.00 0.00 C ATOM 675 CE1 HIS A 46 -0.242 -11.214 4.808 1.00 0.00 C ATOM 676 NE2 HIS A 46 -0.078 -10.134 5.546 1.00 0.00 N ATOM 0 H HIS A 46 1.312 -7.403 0.304 1.00 0.00 H new ATOM 0 HA HIS A 46 2.578 -8.646 2.499 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.171 -7.798 2.254 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.168 -9.282 1.385 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.421 -8.063 5.027 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.490 -12.198 5.178 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.163 -10.089 6.561 1.00 0.00 H new ATOM 685 N ASP A 47 1.982 -10.492 -0.139 1.00 0.00 N ATOM 686 CA ASP A 47 2.297 -11.749 -0.809 1.00 0.00 C ATOM 687 C ASP A 47 3.806 -11.929 -0.930 1.00 0.00 C ATOM 688 O ASP A 47 4.335 -13.016 -0.698 1.00 0.00 O ATOM 689 CB ASP A 47 1.646 -11.781 -2.195 1.00 0.00 C ATOM 690 CG ASP A 47 1.993 -13.028 -2.983 1.00 0.00 C ATOM 691 OD1 ASP A 47 1.274 -14.042 -2.852 1.00 0.00 O ATOM 692 OD2 ASP A 47 2.981 -13.004 -3.743 1.00 0.00 O ATOM 0 H ASP A 47 1.537 -9.800 -0.742 1.00 0.00 H new ATOM 0 HA ASP A 47 1.900 -12.570 -0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.564 -11.718 -2.084 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.960 -10.902 -2.758 1.00 0.00 H new ATOM 697 N LEU A 48 4.495 -10.851 -1.298 1.00 0.00 N ATOM 698 CA LEU A 48 5.951 -10.868 -1.399 1.00 0.00 C ATOM 699 C LEU A 48 6.578 -11.166 -0.043 1.00 0.00 C ATOM 700 O LEU A 48 7.528 -11.943 0.060 1.00 0.00 O ATOM 701 CB LEU A 48 6.474 -9.526 -1.922 1.00 0.00 C ATOM 702 CG LEU A 48 6.001 -9.130 -3.321 1.00 0.00 C ATOM 703 CD1 LEU A 48 6.612 -7.799 -3.726 1.00 0.00 C ATOM 704 CD2 LEU A 48 6.352 -10.213 -4.332 1.00 0.00 C ATOM 0 H LEU A 48 4.067 -9.955 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 48 6.229 -11.654 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.177 -8.744 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.564 -9.557 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 48 4.917 -9.021 -3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.267 -7.529 -4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.309 -7.029 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.699 -7.883 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.007 -9.913 -5.321 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.432 -10.356 -4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.868 -11.147 -4.047 1.00 0.00 H new ATOM 716 N GLY A 49 6.031 -10.548 0.993 1.00 0.00 N ATOM 717 CA GLY A 49 6.538 -10.761 2.331 1.00 0.00 C ATOM 718 C GLY A 49 6.708 -9.467 3.103 1.00 0.00 C ATOM 719 O GLY A 49 7.245 -9.468 4.206 1.00 0.00 O ATOM 0 H GLY A 49 5.244 -9.902 0.930 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.857 -11.417 2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.498 -11.275 2.274 1.00 0.00 H new ATOM 723 N VAL A 50 6.255 -8.364 2.526 1.00 0.00 N ATOM 724 CA VAL A 50 6.349 -7.066 3.181 1.00 0.00 C ATOM 725 C VAL A 50 4.951 -6.540 3.510 1.00 0.00 C ATOM 726 O VAL A 50 4.250 -6.029 2.639 1.00 0.00 O ATOM 727 CB VAL A 50 7.100 -6.037 2.306 1.00 0.00 C ATOM 728 CG1 VAL A 50 7.254 -4.712 3.038 1.00 0.00 C ATOM 729 CG2 VAL A 50 8.460 -6.573 1.885 1.00 0.00 C ATOM 0 H VAL A 50 5.818 -8.341 1.605 1.00 0.00 H new ATOM 0 HA VAL A 50 6.916 -7.203 4.102 1.00 0.00 H new ATOM 0 HB VAL A 50 6.506 -5.865 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.786 -4.004 2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.269 -4.313 3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.818 -4.868 3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.969 -5.831 1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.059 -6.782 2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.328 -7.490 1.311 1.00 0.00 H new ATOM 739 N PRO A 51 4.516 -6.687 4.765 1.00 0.00 N ATOM 740 CA PRO A 51 3.192 -6.264 5.192 1.00 0.00 C ATOM 741 C PRO A 51 3.157 -4.808 5.647 1.00 0.00 C ATOM 742 O PRO A 51 3.892 -4.410 6.554 1.00 0.00 O ATOM 743 CB PRO A 51 2.903 -7.207 6.357 1.00 0.00 C ATOM 744 CG PRO A 51 4.240 -7.522 6.947 1.00 0.00 C ATOM 745 CD PRO A 51 5.279 -7.283 5.871 1.00 0.00 C ATOM 0 HA PRO A 51 2.459 -6.312 4.386 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.249 -6.737 7.092 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.400 -8.112 6.016 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.434 -6.892 7.815 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.274 -8.556 7.290 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.067 -6.614 6.218 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.761 -8.213 5.568 1.00 0.00 H new ATOM 753 N VAL A 52 2.320 -4.013 4.999 1.00 0.00 N ATOM 754 CA VAL A 52 2.118 -2.630 5.399 1.00 0.00 C ATOM 755 C VAL A 52 0.962 -2.543 6.388 1.00 0.00 C ATOM 756 O VAL A 52 -0.199 -2.737 6.023 1.00 0.00 O ATOM 757 CB VAL A 52 1.833 -1.719 4.185 1.00 0.00 C ATOM 758 CG1 VAL A 52 1.692 -0.267 4.622 1.00 0.00 C ATOM 759 CG2 VAL A 52 2.925 -1.860 3.132 1.00 0.00 C ATOM 0 H VAL A 52 1.768 -4.303 4.192 1.00 0.00 H new ATOM 0 HA VAL A 52 3.037 -2.282 5.870 1.00 0.00 H new ATOM 0 HB VAL A 52 0.890 -2.035 3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.492 0.357 3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.868 -0.178 5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.616 0.061 5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.702 -1.209 2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.885 -1.578 3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.970 -2.894 2.791 1.00 0.00 H new ATOM 769 N SER A 53 1.291 -2.283 7.640 1.00 0.00 N ATOM 770 CA SER A 53 0.296 -2.227 8.694 1.00 0.00 C ATOM 771 C SER A 53 -0.532 -0.948 8.596 1.00 0.00 C ATOM 772 O SER A 53 0.007 0.137 8.356 1.00 0.00 O ATOM 773 CB SER A 53 0.978 -2.308 10.059 1.00 0.00 C ATOM 774 OG SER A 53 1.761 -3.485 10.174 1.00 0.00 O ATOM 0 H SER A 53 2.246 -2.106 7.953 1.00 0.00 H new ATOM 0 HA SER A 53 -0.376 -3.077 8.577 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.610 -1.432 10.205 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.224 -2.292 10.846 1.00 0.00 H new ATOM 0 HG SER A 53 2.187 -3.510 11.056 1.00 0.00 H new ATOM 780 N PRO A 54 -1.856 -1.059 8.802 1.00 0.00 N ATOM 781 CA PRO A 54 -2.771 0.086 8.749 1.00 0.00 C ATOM 782 C PRO A 54 -2.413 1.151 9.782 1.00 0.00 C ATOM 783 O PRO A 54 -2.717 2.330 9.608 1.00 0.00 O ATOM 784 CB PRO A 54 -4.147 -0.525 9.055 1.00 0.00 C ATOM 785 CG PRO A 54 -3.858 -1.841 9.694 1.00 0.00 C ATOM 786 CD PRO A 54 -2.564 -2.315 9.099 1.00 0.00 C ATOM 0 HA PRO A 54 -2.732 0.594 7.785 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.724 0.117 9.720 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.734 -0.650 8.145 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.776 -1.740 10.776 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.660 -2.553 9.501 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.004 -2.939 9.796 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.727 -2.909 8.200 1.00 0.00 H new ATOM 794 N GLU A 55 -1.751 0.717 10.851 1.00 0.00 N ATOM 795 CA GLU A 55 -1.288 1.616 11.900 1.00 0.00 C ATOM 796 C GLU A 55 -0.358 2.675 11.315 1.00 0.00 C ATOM 797 O GLU A 55 -0.480 3.869 11.610 1.00 0.00 O ATOM 798 CB GLU A 55 -0.548 0.816 12.973 1.00 0.00 C ATOM 799 CG GLU A 55 -0.325 1.581 14.264 1.00 0.00 C ATOM 800 CD GLU A 55 -1.623 1.890 14.975 1.00 0.00 C ATOM 801 OE1 GLU A 55 -2.255 2.914 14.649 1.00 0.00 O ATOM 802 OE2 GLU A 55 -2.028 1.099 15.853 1.00 0.00 O ATOM 0 H GLU A 55 -1.522 -0.264 11.013 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.150 2.112 12.346 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.113 -0.090 13.192 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.418 0.501 12.577 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.319 0.999 14.923 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.199 2.512 14.047 1.00 0.00 H new ATOM 809 N VAL A 56 0.552 2.226 10.463 1.00 0.00 N ATOM 810 CA VAL A 56 1.514 3.107 9.827 1.00 0.00 C ATOM 811 C VAL A 56 0.823 3.994 8.799 1.00 0.00 C ATOM 812 O VAL A 56 1.146 5.172 8.667 1.00 0.00 O ATOM 813 CB VAL A 56 2.641 2.299 9.143 1.00 0.00 C ATOM 814 CG1 VAL A 56 3.686 3.224 8.538 1.00 0.00 C ATOM 815 CG2 VAL A 56 3.282 1.332 10.133 1.00 0.00 C ATOM 0 H VAL A 56 0.642 1.246 10.196 1.00 0.00 H new ATOM 0 HA VAL A 56 1.957 3.732 10.602 1.00 0.00 H new ATOM 0 HB VAL A 56 2.199 1.719 8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.467 2.630 8.063 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.216 3.866 7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.125 3.840 9.323 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.073 0.772 9.634 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.705 1.892 10.967 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.527 0.640 10.506 1.00 0.00 H new ATOM 825 N VAL A 57 -0.147 3.421 8.095 1.00 0.00 N ATOM 826 CA VAL A 57 -0.902 4.150 7.082 1.00 0.00 C ATOM 827 C VAL A 57 -1.593 5.372 7.687 1.00 0.00 C ATOM 828 O VAL A 57 -1.538 6.467 7.128 1.00 0.00 O ATOM 829 CB VAL A 57 -1.959 3.245 6.409 1.00 0.00 C ATOM 830 CG1 VAL A 57 -2.734 4.009 5.344 1.00 0.00 C ATOM 831 CG2 VAL A 57 -1.298 2.010 5.807 1.00 0.00 C ATOM 0 H VAL A 57 -0.430 2.448 8.208 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.189 4.480 6.327 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.665 2.923 7.174 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.471 3.349 4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.242 4.858 5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.045 4.368 4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.057 1.384 5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.567 2.317 5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.798 1.445 6.594 1.00 0.00 H new ATOM 841 N VAL A 58 -2.222 5.183 8.841 1.00 0.00 N ATOM 842 CA VAL A 58 -2.917 6.273 9.519 1.00 0.00 C ATOM 843 C VAL A 58 -1.938 7.366 9.944 1.00 0.00 C ATOM 844 O VAL A 58 -2.143 8.546 9.648 1.00 0.00 O ATOM 845 CB VAL A 58 -3.694 5.769 10.755 1.00 0.00 C ATOM 846 CG1 VAL A 58 -4.399 6.920 11.457 1.00 0.00 C ATOM 847 CG2 VAL A 58 -4.697 4.695 10.356 1.00 0.00 C ATOM 0 H VAL A 58 -2.266 4.287 9.327 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.630 6.688 8.806 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.978 5.332 11.451 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.940 6.541 12.324 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.662 7.655 11.781 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.101 7.390 10.769 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.234 4.353 11.240 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.406 5.108 9.638 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.170 3.855 9.904 1.00 0.00 H new ATOM 857 N ALA A 59 -0.860 6.967 10.616 1.00 0.00 N ATOM 858 CA ALA A 59 0.133 7.916 11.114 1.00 0.00 C ATOM 859 C ALA A 59 0.815 8.656 9.966 1.00 0.00 C ATOM 860 O ALA A 59 1.071 9.858 10.050 1.00 0.00 O ATOM 861 CB ALA A 59 1.165 7.198 11.971 1.00 0.00 C ATOM 0 H ALA A 59 -0.652 5.991 10.828 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.383 8.654 11.728 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.899 7.917 12.336 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.669 6.725 12.818 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.668 6.437 11.374 1.00 0.00 H new ATOM 867 N ARG A 60 1.103 7.932 8.893 1.00 0.00 N ATOM 868 CA ARG A 60 1.692 8.526 7.701 1.00 0.00 C ATOM 869 C ARG A 60 0.707 9.491 7.051 1.00 0.00 C ATOM 870 O ARG A 60 1.082 10.581 6.617 1.00 0.00 O ATOM 871 CB ARG A 60 2.079 7.427 6.710 1.00 0.00 C ATOM 872 CG ARG A 60 2.582 7.945 5.373 1.00 0.00 C ATOM 873 CD ARG A 60 4.013 8.455 5.446 1.00 0.00 C ATOM 874 NE ARG A 60 4.455 8.949 4.145 1.00 0.00 N ATOM 875 CZ ARG A 60 5.673 8.773 3.634 1.00 0.00 C ATOM 876 NH1 ARG A 60 6.611 8.111 4.307 1.00 0.00 N ATOM 877 NH2 ARG A 60 5.952 9.264 2.434 1.00 0.00 N ATOM 0 H ARG A 60 0.937 6.928 8.824 1.00 0.00 H new ATOM 0 HA ARG A 60 2.586 9.079 7.988 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.852 6.803 7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.213 6.787 6.537 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.521 7.148 4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.930 8.749 5.030 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.082 9.253 6.185 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.673 7.654 5.779 1.00 0.00 H new ATOM 0 HE ARG A 60 3.780 9.469 3.584 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.403 7.729 5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.538 7.986 3.900 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.237 9.771 1.912 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.881 9.135 2.034 1.00 0.00 H new ATOM 891 N GLY A 61 -0.557 9.082 7.004 1.00 0.00 N ATOM 892 CA GLY A 61 -1.591 9.892 6.394 1.00 0.00 C ATOM 893 C GLY A 61 -1.760 11.233 7.069 1.00 0.00 C ATOM 894 O GLY A 61 -1.788 12.269 6.405 1.00 0.00 O ATOM 0 H GLY A 61 -0.884 8.193 7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.351 10.048 5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.537 9.351 6.428 1.00 0.00 H new ATOM 898 N GLU A 62 -1.861 11.226 8.390 1.00 0.00 N ATOM 899 CA GLU A 62 -2.022 12.465 9.140 1.00 0.00 C ATOM 900 C GLU A 62 -0.750 13.312 9.066 1.00 0.00 C ATOM 901 O GLU A 62 -0.801 14.540 9.156 1.00 0.00 O ATOM 902 CB GLU A 62 -2.381 12.176 10.602 1.00 0.00 C ATOM 903 CG GLU A 62 -1.320 11.400 11.358 1.00 0.00 C ATOM 904 CD GLU A 62 -1.627 11.287 12.833 1.00 0.00 C ATOM 905 OE1 GLU A 62 -1.682 12.331 13.510 1.00 0.00 O ATOM 906 OE2 GLU A 62 -1.793 10.156 13.328 1.00 0.00 O ATOM 0 H GLU A 62 -1.835 10.382 8.963 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.840 13.026 8.688 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.559 13.121 11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.316 11.616 10.632 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.232 10.401 10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.355 11.889 11.227 1.00 0.00 H new ATOM 913 N GLN A 63 0.385 12.645 8.884 1.00 0.00 N ATOM 914 CA GLN A 63 1.671 13.322 8.794 1.00 0.00 C ATOM 915 C GLN A 63 1.770 14.111 7.496 1.00 0.00 C ATOM 916 O GLN A 63 1.982 15.324 7.510 1.00 0.00 O ATOM 917 CB GLN A 63 2.810 12.305 8.882 1.00 0.00 C ATOM 918 CG GLN A 63 4.184 12.932 9.047 1.00 0.00 C ATOM 919 CD GLN A 63 5.277 11.893 9.200 1.00 0.00 C ATOM 920 OE1 GLN A 63 5.565 11.442 10.308 1.00 0.00 O ATOM 921 NE2 GLN A 63 5.914 11.525 8.101 1.00 0.00 N ATOM 0 H GLN A 63 0.439 11.630 8.796 1.00 0.00 H new ATOM 0 HA GLN A 63 1.755 14.018 9.629 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.623 11.637 9.723 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.807 11.692 7.981 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.401 13.559 8.182 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.181 13.584 9.921 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.647 11.921 7.200 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.673 10.845 8.155 1.00 0.00 H new ATOM 930 N GLU A 64 1.592 13.417 6.381 1.00 0.00 N ATOM 931 CA GLU A 64 1.678 14.042 5.067 1.00 0.00 C ATOM 932 C GLU A 64 0.459 14.915 4.797 1.00 0.00 C ATOM 933 O GLU A 64 0.521 15.856 4.009 1.00 0.00 O ATOM 934 CB GLU A 64 1.832 12.984 3.970 1.00 0.00 C ATOM 935 CG GLU A 64 3.198 12.327 3.962 1.00 0.00 C ATOM 936 CD GLU A 64 3.399 11.413 2.772 1.00 0.00 C ATOM 937 OE1 GLU A 64 2.707 10.377 2.695 1.00 0.00 O ATOM 938 OE2 GLU A 64 4.273 11.705 1.931 1.00 0.00 O ATOM 0 H GLU A 64 1.387 12.418 6.359 1.00 0.00 H new ATOM 0 HA GLU A 64 2.562 14.679 5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.068 12.218 4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.653 13.447 3.000 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.968 13.099 3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.327 11.755 4.881 1.00 0.00 H new ATOM 945 N GLY A 65 -0.641 14.606 5.461 1.00 0.00 N ATOM 946 CA GLY A 65 -1.840 15.397 5.305 1.00 0.00 C ATOM 947 C GLY A 65 -2.738 14.855 4.219 1.00 0.00 C ATOM 948 O GLY A 65 -3.165 15.595 3.330 1.00 0.00 O ATOM 0 H GLY A 65 -0.725 13.820 6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.385 15.419 6.249 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.568 16.426 5.070 1.00 0.00 H new ATOM 952 N TRP A 66 -3.005 13.558 4.274 1.00 0.00 N ATOM 953 CA TRP A 66 -3.902 12.928 3.321 1.00 0.00 C ATOM 954 C TRP A 66 -5.344 13.293 3.649 1.00 0.00 C ATOM 955 O TRP A 66 -5.698 13.469 4.818 1.00 0.00 O ATOM 956 CB TRP A 66 -3.772 11.400 3.349 1.00 0.00 C ATOM 957 CG TRP A 66 -2.408 10.855 3.033 1.00 0.00 C ATOM 958 CD1 TRP A 66 -1.280 11.549 2.701 1.00 0.00 C ATOM 959 CD2 TRP A 66 -2.045 9.472 3.020 1.00 0.00 C ATOM 960 NE1 TRP A 66 -0.237 10.673 2.493 1.00 0.00 N ATOM 961 CE2 TRP A 66 -0.685 9.396 2.682 1.00 0.00 C ATOM 962 CE3 TRP A 66 -2.745 8.288 3.269 1.00 0.00 C ATOM 963 CZ2 TRP A 66 -0.010 8.184 2.584 1.00 0.00 C ATOM 964 CZ3 TRP A 66 -2.075 7.087 3.170 1.00 0.00 C ATOM 965 CH2 TRP A 66 -0.721 7.043 2.831 1.00 0.00 C ATOM 0 H TRP A 66 -2.612 12.923 4.969 1.00 0.00 H new ATOM 0 HA TRP A 66 -3.630 13.288 2.329 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -4.063 11.047 4.338 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.484 10.980 2.638 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -1.215 12.624 2.614 1.00 0.00 H new ATOM 0 HE1 TRP A 66 0.715 10.935 2.239 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.792 8.313 3.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.037 8.146 2.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -2.606 6.165 3.358 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.225 6.086 2.762 1.00 0.00 H new ATOM 976 N ASN A 67 -6.169 13.402 2.623 1.00 0.00 N ATOM 977 CA ASN A 67 -7.593 13.639 2.814 1.00 0.00 C ATOM 978 C ASN A 67 -8.231 12.462 3.554 1.00 0.00 C ATOM 979 O ASN A 67 -7.862 11.307 3.329 1.00 0.00 O ATOM 980 CB ASN A 67 -8.284 13.880 1.471 1.00 0.00 C ATOM 981 CG ASN A 67 -8.081 15.294 0.959 1.00 0.00 C ATOM 982 OD1 ASN A 67 -8.882 16.187 1.231 1.00 0.00 O ATOM 983 ND2 ASN A 67 -7.008 15.509 0.216 1.00 0.00 N ATOM 0 H ASN A 67 -5.879 13.330 1.648 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.719 14.535 3.422 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.900 13.172 0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.351 13.684 1.575 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.822 16.441 -0.153 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.367 14.742 0.012 1.00 0.00 H new ATOM 990 N PRO A 68 -9.192 12.756 4.449 1.00 0.00 N ATOM 991 CA PRO A 68 -9.777 11.772 5.375 1.00 0.00 C ATOM 992 C PRO A 68 -10.218 10.466 4.714 1.00 0.00 C ATOM 993 O PRO A 68 -9.701 9.399 5.045 1.00 0.00 O ATOM 994 CB PRO A 68 -10.991 12.506 5.942 1.00 0.00 C ATOM 995 CG PRO A 68 -10.624 13.945 5.868 1.00 0.00 C ATOM 996 CD PRO A 68 -9.787 14.094 4.629 1.00 0.00 C ATOM 0 HA PRO A 68 -9.042 11.456 6.115 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.889 12.295 5.362 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.196 12.201 6.968 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.514 14.573 5.816 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -10.068 14.252 6.754 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.391 14.383 3.769 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.021 14.860 4.752 1.00 0.00 H new ATOM 1004 N GLU A 69 -11.159 10.557 3.773 1.00 0.00 N ATOM 1005 CA GLU A 69 -11.744 9.369 3.146 1.00 0.00 C ATOM 1006 C GLU A 69 -10.693 8.527 2.435 1.00 0.00 C ATOM 1007 O GLU A 69 -10.855 7.319 2.296 1.00 0.00 O ATOM 1008 CB GLU A 69 -12.849 9.764 2.168 1.00 0.00 C ATOM 1009 CG GLU A 69 -14.221 9.867 2.814 1.00 0.00 C ATOM 1010 CD GLU A 69 -14.795 8.506 3.174 1.00 0.00 C ATOM 1011 OE1 GLU A 69 -14.429 7.953 4.231 1.00 0.00 O ATOM 1012 OE2 GLU A 69 -15.614 7.977 2.394 1.00 0.00 O ATOM 0 H GLU A 69 -11.533 11.441 3.428 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.174 8.763 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.597 10.723 1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.889 9.031 1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.151 10.478 3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.903 10.378 2.134 1.00 0.00 H new ATOM 1019 N PHE A 70 -9.613 9.163 2.007 1.00 0.00 N ATOM 1020 CA PHE A 70 -8.540 8.454 1.331 1.00 0.00 C ATOM 1021 C PHE A 70 -7.848 7.500 2.301 1.00 0.00 C ATOM 1022 O PHE A 70 -7.861 6.283 2.103 1.00 0.00 O ATOM 1023 CB PHE A 70 -7.534 9.446 0.744 1.00 0.00 C ATOM 1024 CG PHE A 70 -6.338 8.791 0.117 1.00 0.00 C ATOM 1025 CD1 PHE A 70 -6.496 7.819 -0.857 1.00 0.00 C ATOM 1026 CD2 PHE A 70 -5.057 9.145 0.503 1.00 0.00 C ATOM 1027 CE1 PHE A 70 -5.398 7.213 -1.432 1.00 0.00 C ATOM 1028 CE2 PHE A 70 -3.955 8.543 -0.071 1.00 0.00 C ATOM 1029 CZ PHE A 70 -4.126 7.576 -1.039 1.00 0.00 C ATOM 0 H PHE A 70 -9.458 10.165 2.116 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.964 7.871 0.514 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.036 10.059 -0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.197 10.118 1.533 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.489 7.532 -1.170 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.918 9.901 1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.534 6.455 -2.189 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.960 8.829 0.238 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.266 7.103 -1.489 1.00 0.00 H new ATOM 1039 N THR A 71 -7.270 8.058 3.360 1.00 0.00 N ATOM 1040 CA THR A 71 -6.587 7.271 4.379 1.00 0.00 C ATOM 1041 C THR A 71 -7.534 6.245 4.996 1.00 0.00 C ATOM 1042 O THR A 71 -7.155 5.107 5.263 1.00 0.00 O ATOM 1043 CB THR A 71 -6.054 8.187 5.495 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.423 9.336 4.917 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.058 7.456 6.384 1.00 0.00 C ATOM 0 H THR A 71 -7.262 9.063 3.535 1.00 0.00 H new ATOM 0 HA THR A 71 -5.757 6.753 3.898 1.00 0.00 H new ATOM 0 HB THR A 71 -6.899 8.496 6.110 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.650 10.132 5.441 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.701 8.131 7.162 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.544 6.596 6.845 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.215 7.117 5.783 1.00 0.00 H new ATOM 1053 N LYS A 72 -8.774 6.670 5.187 1.00 0.00 N ATOM 1054 CA LYS A 72 -9.802 5.860 5.821 1.00 0.00 C ATOM 1055 C LYS A 72 -10.061 4.566 5.039 1.00 0.00 C ATOM 1056 O LYS A 72 -10.063 3.473 5.613 1.00 0.00 O ATOM 1057 CB LYS A 72 -11.066 6.712 5.938 1.00 0.00 C ATOM 1058 CG LYS A 72 -12.251 6.040 6.603 1.00 0.00 C ATOM 1059 CD LYS A 72 -13.238 7.092 7.089 1.00 0.00 C ATOM 1060 CE LYS A 72 -14.632 6.527 7.289 1.00 0.00 C ATOM 1061 NZ LYS A 72 -15.247 6.136 5.997 1.00 0.00 N ATOM 0 H LYS A 72 -9.097 7.595 4.904 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.472 5.551 6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.823 7.615 6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.364 7.027 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.741 5.367 5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.912 5.432 7.442 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.882 7.514 8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.280 7.908 6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.584 5.660 7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.260 7.269 7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.264 6.354 6.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.795 6.664 5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.114 5.116 5.844 1.00 0.00 H new ATOM 1075 N LYS A 73 -10.261 4.684 3.729 1.00 0.00 N ATOM 1076 CA LYS A 73 -10.523 3.521 2.899 1.00 0.00 C ATOM 1077 C LYS A 73 -9.301 2.615 2.831 1.00 0.00 C ATOM 1078 O LYS A 73 -9.418 1.398 2.994 1.00 0.00 O ATOM 1079 CB LYS A 73 -10.928 3.944 1.490 1.00 0.00 C ATOM 1080 CG LYS A 73 -12.182 4.799 1.436 1.00 0.00 C ATOM 1081 CD LYS A 73 -12.637 5.019 0.004 1.00 0.00 C ATOM 1082 CE LYS A 73 -13.614 6.177 -0.104 1.00 0.00 C ATOM 1083 NZ LYS A 73 -14.744 6.047 0.852 1.00 0.00 N ATOM 0 H LYS A 73 -10.246 5.571 3.225 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.345 2.968 3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.105 4.496 1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.084 3.051 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.978 4.317 2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.990 5.761 1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.770 5.214 -0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.107 4.110 -0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.088 7.113 0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.004 6.228 -1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.637 6.262 0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.776 5.075 1.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.611 6.713 1.640 1.00 0.00 H new ATOM 1097 N VAL A 74 -8.133 3.213 2.607 1.00 0.00 N ATOM 1098 CA VAL A 74 -6.895 2.454 2.476 1.00 0.00 C ATOM 1099 C VAL A 74 -6.589 1.690 3.760 1.00 0.00 C ATOM 1100 O VAL A 74 -6.166 0.534 3.721 1.00 0.00 O ATOM 1101 CB VAL A 74 -5.696 3.367 2.124 1.00 0.00 C ATOM 1102 CG1 VAL A 74 -4.415 2.555 1.991 1.00 0.00 C ATOM 1103 CG2 VAL A 74 -5.967 4.144 0.845 1.00 0.00 C ATOM 0 H VAL A 74 -8.020 4.222 2.513 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.041 1.747 1.659 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.566 4.079 2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.587 3.219 1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.205 2.050 2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.534 1.814 1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.111 4.779 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.131 3.447 0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.854 4.764 0.977 1.00 0.00 H new ATOM 1113 N ALA A 75 -6.821 2.338 4.896 1.00 0.00 N ATOM 1114 CA ALA A 75 -6.607 1.710 6.193 1.00 0.00 C ATOM 1115 C ALA A 75 -7.456 0.454 6.330 1.00 0.00 C ATOM 1116 O ALA A 75 -6.992 -0.562 6.847 1.00 0.00 O ATOM 1117 CB ALA A 75 -6.918 2.685 7.318 1.00 0.00 C ATOM 0 H ALA A 75 -7.158 3.300 4.944 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.557 1.425 6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.752 2.197 8.279 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.267 3.555 7.236 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.958 3.002 7.247 1.00 0.00 H new ATOM 1123 N GLY A 76 -8.693 0.531 5.846 1.00 0.00 N ATOM 1124 CA GLY A 76 -9.579 -0.618 5.864 1.00 0.00 C ATOM 1125 C GLY A 76 -9.036 -1.777 5.048 1.00 0.00 C ATOM 1126 O GLY A 76 -9.114 -2.936 5.472 1.00 0.00 O ATOM 0 H GLY A 76 -9.098 1.374 5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.730 -0.941 6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.555 -0.328 5.474 1.00 0.00 H new ATOM 1130 N TRP A 77 -8.475 -1.474 3.880 1.00 0.00 N ATOM 1131 CA TRP A 77 -7.887 -2.509 3.036 1.00 0.00 C ATOM 1132 C TRP A 77 -6.663 -3.091 3.725 1.00 0.00 C ATOM 1133 O TRP A 77 -6.538 -4.305 3.866 1.00 0.00 O ATOM 1134 CB TRP A 77 -7.478 -1.969 1.660 1.00 0.00 C ATOM 1135 CG TRP A 77 -8.524 -1.132 0.993 1.00 0.00 C ATOM 1136 CD1 TRP A 77 -9.875 -1.258 1.118 1.00 0.00 C ATOM 1137 CD2 TRP A 77 -8.300 -0.048 0.084 1.00 0.00 C ATOM 1138 NE1 TRP A 77 -10.505 -0.305 0.355 1.00 0.00 N ATOM 1139 CE2 TRP A 77 -9.561 0.449 -0.290 1.00 0.00 C ATOM 1140 CE3 TRP A 77 -7.154 0.555 -0.443 1.00 0.00 C ATOM 1141 CZ2 TRP A 77 -9.707 1.523 -1.170 1.00 0.00 C ATOM 1142 CZ3 TRP A 77 -7.300 1.615 -1.315 1.00 0.00 C ATOM 1143 CH2 TRP A 77 -8.567 2.093 -1.669 1.00 0.00 C ATOM 0 H TRP A 77 -8.416 -0.529 3.500 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.645 -3.278 2.884 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -6.570 -1.376 1.770 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.233 -2.809 1.011 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.376 -1.997 1.726 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -11.514 -0.179 0.281 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.171 0.198 -0.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -10.684 1.891 -1.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -6.421 2.084 -1.732 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -8.647 2.928 -2.349 1.00 0.00 H new ATOM 1154 N ALA A 78 -5.779 -2.203 4.173 1.00 0.00 N ATOM 1155 CA ALA A 78 -4.543 -2.602 4.837 1.00 0.00 C ATOM 1156 C ALA A 78 -4.835 -3.483 6.045 1.00 0.00 C ATOM 1157 O ALA A 78 -4.116 -4.442 6.308 1.00 0.00 O ATOM 1158 CB ALA A 78 -3.747 -1.376 5.258 1.00 0.00 C ATOM 0 H ALA A 78 -5.899 -1.194 4.086 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.949 -3.180 4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.828 -1.691 5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.501 -0.782 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.341 -0.775 5.946 1.00 0.00 H new ATOM 1164 N GLU A 79 -5.893 -3.140 6.770 1.00 0.00 N ATOM 1165 CA GLU A 79 -6.359 -3.931 7.902 1.00 0.00 C ATOM 1166 C GLU A 79 -6.596 -5.384 7.489 1.00 0.00 C ATOM 1167 O GLU A 79 -6.038 -6.315 8.078 1.00 0.00 O ATOM 1168 CB GLU A 79 -7.657 -3.321 8.443 1.00 0.00 C ATOM 1169 CG GLU A 79 -8.330 -4.138 9.532 1.00 0.00 C ATOM 1170 CD GLU A 79 -9.708 -3.611 9.871 1.00 0.00 C ATOM 1171 OE1 GLU A 79 -10.658 -3.881 9.103 1.00 0.00 O ATOM 1172 OE2 GLU A 79 -9.852 -2.916 10.898 1.00 0.00 O ATOM 0 H GLU A 79 -6.452 -2.306 6.590 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.595 -3.920 8.679 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.441 -2.326 8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.356 -3.194 7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.409 -5.176 9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.709 -4.129 10.428 1.00 0.00 H new ATOM 1179 N LYS A 80 -7.408 -5.561 6.457 1.00 0.00 N ATOM 1180 CA LYS A 80 -7.775 -6.888 5.980 1.00 0.00 C ATOM 1181 C LYS A 80 -6.580 -7.596 5.340 1.00 0.00 C ATOM 1182 O LYS A 80 -6.380 -8.798 5.534 1.00 0.00 O ATOM 1183 CB LYS A 80 -8.931 -6.774 4.985 1.00 0.00 C ATOM 1184 CG LYS A 80 -10.167 -6.118 5.583 1.00 0.00 C ATOM 1185 CD LYS A 80 -11.308 -6.027 4.584 1.00 0.00 C ATOM 1186 CE LYS A 80 -12.619 -5.680 5.277 1.00 0.00 C ATOM 1187 NZ LYS A 80 -12.516 -4.452 6.113 1.00 0.00 N ATOM 0 H LYS A 80 -7.829 -4.796 5.930 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.094 -7.488 6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.603 -6.198 4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.193 -7.769 4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.493 -6.687 6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.912 -5.118 5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.079 -5.270 3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.411 -6.976 4.058 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.397 -5.540 4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.927 -6.517 5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.464 -4.173 6.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.909 -4.642 6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.103 -3.682 5.549 1.00 0.00 H new ATOM 1201 N VAL A 81 -5.783 -6.843 4.593 1.00 0.00 N ATOM 1202 CA VAL A 81 -4.632 -7.403 3.891 1.00 0.00 C ATOM 1203 C VAL A 81 -3.535 -7.832 4.863 1.00 0.00 C ATOM 1204 O VAL A 81 -2.958 -8.910 4.716 1.00 0.00 O ATOM 1205 CB VAL A 81 -4.046 -6.405 2.867 1.00 0.00 C ATOM 1206 CG1 VAL A 81 -2.787 -6.961 2.226 1.00 0.00 C ATOM 1207 CG2 VAL A 81 -5.071 -6.068 1.799 1.00 0.00 C ATOM 0 H VAL A 81 -5.912 -5.840 4.457 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.995 -8.281 3.357 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.786 -5.492 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.394 -6.240 1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.040 -7.151 2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.022 -7.893 1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.638 -5.364 1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.364 -6.978 1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.948 -5.619 2.265 1.00 0.00 H new ATOM 1217 N ALA A 82 -3.244 -6.989 5.850 1.00 0.00 N ATOM 1218 CA ALA A 82 -2.198 -7.284 6.822 1.00 0.00 C ATOM 1219 C ALA A 82 -2.531 -8.541 7.610 1.00 0.00 C ATOM 1220 O ALA A 82 -1.675 -9.413 7.789 1.00 0.00 O ATOM 1221 CB ALA A 82 -1.989 -6.106 7.763 1.00 0.00 C ATOM 0 H ALA A 82 -3.718 -6.098 5.997 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.270 -7.458 6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.204 -6.348 8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.697 -5.228 7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.916 -5.898 8.297 1.00 0.00 H new ATOM 1227 N SER A 83 -3.780 -8.636 8.053 1.00 0.00 N ATOM 1228 CA SER A 83 -4.239 -9.791 8.808 1.00 0.00 C ATOM 1229 C SER A 83 -4.228 -11.045 7.933 1.00 0.00 C ATOM 1230 O SER A 83 -3.926 -12.142 8.405 1.00 0.00 O ATOM 1231 CB SER A 83 -5.645 -9.534 9.359 1.00 0.00 C ATOM 1232 OG SER A 83 -6.087 -10.600 10.182 1.00 0.00 O ATOM 0 H SER A 83 -4.493 -7.923 7.900 1.00 0.00 H new ATOM 0 HA SER A 83 -3.559 -9.953 9.644 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.648 -8.607 9.932 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.342 -9.400 8.531 1.00 0.00 H new ATOM 0 HG SER A 83 -6.986 -10.403 10.518 1.00 0.00 H new ATOM 1238 N GLY A 84 -4.538 -10.873 6.655 1.00 0.00 N ATOM 1239 CA GLY A 84 -4.560 -12.000 5.747 1.00 0.00 C ATOM 1240 C GLY A 84 -5.963 -12.514 5.516 1.00 0.00 C ATOM 1241 O GLY A 84 -6.181 -13.722 5.400 1.00 0.00 O ATOM 0 H GLY A 84 -4.774 -9.975 6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.120 -11.706 4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.942 -12.802 6.150 1.00 0.00 H new ATOM 1245 N ASN A 85 -6.914 -11.592 5.456 1.00 0.00 N ATOM 1246 CA ASN A 85 -8.308 -11.939 5.233 1.00 0.00 C ATOM 1247 C ASN A 85 -8.656 -11.791 3.759 1.00 0.00 C ATOM 1248 O ASN A 85 -8.111 -10.932 3.063 1.00 0.00 O ATOM 1249 CB ASN A 85 -9.229 -11.059 6.079 1.00 0.00 C ATOM 1250 CG ASN A 85 -9.056 -11.286 7.572 1.00 0.00 C ATOM 1251 OD1 ASN A 85 -8.758 -12.518 7.964 1.00 0.00 O flip ATOM 1252 ND2 ASN A 85 -9.208 -10.362 8.369 1.00 0.00 N flip ATOM 0 H ASN A 85 -6.742 -10.592 5.560 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.454 -12.977 5.531 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.033 -10.011 5.851 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.265 -11.256 5.804 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.437 -9.428 8.029 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.105 -10.530 9.370 1.00 0.00 H new ATOM 1259 N ARG A 86 -9.561 -12.636 3.293 1.00 0.00 N ATOM 1260 CA ARG A 86 -9.943 -12.667 1.889 1.00 0.00 C ATOM 1261 C ARG A 86 -10.682 -11.400 1.479 1.00 0.00 C ATOM 1262 O ARG A 86 -11.534 -10.890 2.210 1.00 0.00 O ATOM 1263 CB ARG A 86 -10.836 -13.878 1.612 1.00 0.00 C ATOM 1264 CG ARG A 86 -12.125 -13.854 2.411 1.00 0.00 C ATOM 1265 CD ARG A 86 -13.001 -15.047 2.108 1.00 0.00 C ATOM 1266 NE ARG A 86 -14.157 -15.101 3.001 1.00 0.00 N ATOM 1267 CZ ARG A 86 -14.588 -16.211 3.593 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -13.990 -17.374 3.358 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -15.619 -16.160 4.428 1.00 0.00 N ATOM 0 H ARG A 86 -10.050 -13.317 3.874 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.026 -12.737 1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.074 -13.913 0.549 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.286 -14.790 1.845 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.891 -13.837 3.476 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.672 -12.937 2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.341 -14.997 1.073 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.419 -15.963 2.209 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.664 -14.234 3.181 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.195 -17.419 2.720 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.326 -18.222 3.815 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.080 -15.270 4.615 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.950 -17.011 4.882 1.00 0.00 H new ATOM 1283 N ILE A 87 -10.339 -10.899 0.309 1.00 0.00 N ATOM 1284 CA ILE A 87 -11.079 -9.821 -0.319 1.00 0.00 C ATOM 1285 C ILE A 87 -11.202 -10.130 -1.804 1.00 0.00 C ATOM 1286 O ILE A 87 -10.238 -10.569 -2.426 1.00 0.00 O ATOM 1287 CB ILE A 87 -10.431 -8.426 -0.112 1.00 0.00 C ATOM 1288 CG1 ILE A 87 -9.015 -8.362 -0.689 1.00 0.00 C ATOM 1289 CG2 ILE A 87 -10.399 -8.070 1.366 1.00 0.00 C ATOM 1290 CD1 ILE A 87 -8.361 -7.006 -0.519 1.00 0.00 C ATOM 0 H ILE A 87 -9.540 -11.227 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 87 -12.059 -9.766 0.155 1.00 0.00 H new ATOM 0 HB ILE A 87 -11.045 -7.703 -0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.398 -9.119 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.050 -8.610 -1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.942 -7.089 1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.416 -8.050 1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.816 -8.815 1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.360 -7.028 -0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.957 -6.248 -1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.295 -6.764 0.542 1.00 0.00 H new ATOM 1302 N LEU A 88 -12.385 -9.938 -2.362 1.00 0.00 N ATOM 1303 CA LEU A 88 -12.639 -10.357 -3.730 1.00 0.00 C ATOM 1304 C LEU A 88 -11.889 -9.503 -4.739 1.00 0.00 C ATOM 1305 O LEU A 88 -11.910 -8.272 -4.692 1.00 0.00 O ATOM 1306 CB LEU A 88 -14.140 -10.381 -4.031 1.00 0.00 C ATOM 1307 CG LEU A 88 -14.946 -9.159 -3.580 1.00 0.00 C ATOM 1308 CD1 LEU A 88 -14.877 -8.032 -4.602 1.00 0.00 C ATOM 1309 CD2 LEU A 88 -16.383 -9.563 -3.332 1.00 0.00 C ATOM 0 H LEU A 88 -13.178 -9.499 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.259 -11.374 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.271 -10.498 -5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -14.569 -11.266 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.509 -8.784 -2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.461 -7.183 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -13.839 -7.728 -4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.282 -8.378 -5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -16.955 -8.693 -3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -16.813 -9.961 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -16.417 -10.326 -2.555 1.00 0.00 H new ATOM 1321 N ILE A 89 -11.220 -10.182 -5.653 1.00 0.00 N ATOM 1322 CA ILE A 89 -10.442 -9.519 -6.688 1.00 0.00 C ATOM 1323 C ILE A 89 -10.757 -10.132 -8.052 1.00 0.00 C ATOM 1324 O ILE A 89 -9.955 -10.870 -8.625 1.00 0.00 O ATOM 1325 CB ILE A 89 -8.912 -9.590 -6.423 1.00 0.00 C ATOM 1326 CG1 ILE A 89 -8.561 -9.043 -5.032 1.00 0.00 C ATOM 1327 CG2 ILE A 89 -8.150 -8.811 -7.491 1.00 0.00 C ATOM 1328 CD1 ILE A 89 -8.806 -7.555 -4.875 1.00 0.00 C ATOM 0 H ILE A 89 -11.199 -11.201 -5.701 1.00 0.00 H new ATOM 0 HA ILE A 89 -10.726 -8.467 -6.676 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.617 -10.639 -6.464 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.146 -9.578 -4.284 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.511 -9.252 -4.825 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.080 -8.871 -7.291 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -8.360 -9.238 -8.472 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -8.465 -7.768 -7.474 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.534 -7.246 -3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.200 -7.008 -5.598 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.860 -7.340 -5.048 1.00 0.00 H new ATOM 1340 N LYS A 90 -11.962 -9.876 -8.530 1.00 0.00 N ATOM 1341 CA LYS A 90 -12.342 -10.228 -9.889 1.00 0.00 C ATOM 1342 C LYS A 90 -12.816 -8.971 -10.598 1.00 0.00 C ATOM 1343 O LYS A 90 -13.419 -9.019 -11.665 1.00 0.00 O ATOM 1344 CB LYS A 90 -13.447 -11.296 -9.917 1.00 0.00 C ATOM 1345 CG LYS A 90 -13.027 -12.657 -9.371 1.00 0.00 C ATOM 1346 CD LYS A 90 -13.231 -12.759 -7.867 1.00 0.00 C ATOM 1347 CE LYS A 90 -14.703 -12.659 -7.496 1.00 0.00 C ATOM 1348 NZ LYS A 90 -15.510 -13.770 -8.071 1.00 0.00 N ATOM 0 H LYS A 90 -12.701 -9.422 -7.993 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.474 -10.650 -10.396 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -14.298 -10.935 -9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -13.788 -11.421 -10.945 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.601 -13.439 -9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.977 -12.833 -9.607 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.828 -13.706 -7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.674 -11.965 -7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -14.803 -12.665 -6.411 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.099 -11.706 -7.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -16.453 -13.777 -7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.607 -13.634 -9.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.035 -14.676 -7.885 1.00 0.00 H new ATOM 1362 N ASN A 91 -12.524 -7.839 -9.974 1.00 0.00 N ATOM 1363 CA ASN A 91 -12.976 -6.542 -10.459 1.00 0.00 C ATOM 1364 C ASN A 91 -11.823 -5.537 -10.498 1.00 0.00 C ATOM 1365 O ASN A 91 -11.586 -4.907 -11.530 1.00 0.00 O ATOM 1366 CB ASN A 91 -14.118 -5.987 -9.588 1.00 0.00 C ATOM 1367 CG ASN A 91 -15.140 -7.040 -9.214 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -16.066 -7.330 -9.970 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -14.999 -7.597 -8.023 1.00 0.00 N ATOM 0 H ASN A 91 -11.969 -7.793 -9.120 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.350 -6.689 -11.472 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -13.698 -5.556 -8.679 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.616 -5.179 -10.123 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -15.672 -8.294 -7.703 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -14.217 -7.330 -7.424 1.00 0.00 H new ATOM 1376 N PRO A 92 -11.070 -5.382 -9.381 1.00 0.00 N ATOM 1377 CA PRO A 92 -10.006 -4.370 -9.270 1.00 0.00 C ATOM 1378 C PRO A 92 -8.910 -4.527 -10.320 1.00 0.00 C ATOM 1379 O PRO A 92 -8.298 -3.536 -10.719 1.00 0.00 O ATOM 1380 CB PRO A 92 -9.446 -4.598 -7.863 1.00 0.00 C ATOM 1381 CG PRO A 92 -10.570 -5.238 -7.133 1.00 0.00 C ATOM 1382 CD PRO A 92 -11.195 -6.149 -8.128 1.00 0.00 C ATOM 0 HA PRO A 92 -10.393 -3.365 -9.436 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -8.565 -5.239 -7.882 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.147 -3.660 -7.395 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -10.214 -5.787 -6.261 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.282 -4.496 -6.773 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.677 -7.106 -8.184 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.236 -6.364 -7.885 1.00 0.00 H new ATOM 1390 N GLU A 93 -8.657 -5.769 -10.755 1.00 0.00 N ATOM 1391 CA GLU A 93 -7.688 -6.038 -11.823 1.00 0.00 C ATOM 1392 C GLU A 93 -6.267 -5.684 -11.366 1.00 0.00 C ATOM 1393 O GLU A 93 -5.353 -5.552 -12.175 1.00 0.00 O ATOM 1394 CB GLU A 93 -8.101 -5.247 -13.071 1.00 0.00 C ATOM 1395 CG GLU A 93 -7.397 -5.632 -14.358 1.00 0.00 C ATOM 1396 CD GLU A 93 -7.961 -4.876 -15.542 1.00 0.00 C ATOM 1397 OE1 GLU A 93 -8.566 -3.802 -15.329 1.00 0.00 O ATOM 1398 OE2 GLU A 93 -7.820 -5.355 -16.688 1.00 0.00 O ATOM 0 H GLU A 93 -9.111 -6.603 -10.383 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.684 -7.101 -12.066 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.175 -5.368 -13.216 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.922 -4.188 -12.883 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.331 -5.426 -14.267 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.501 -6.704 -14.525 1.00 0.00 H new ATOM 1405 N TYR A 94 -6.105 -5.575 -10.049 1.00 0.00 N ATOM 1406 CA TYR A 94 -4.823 -5.257 -9.427 1.00 0.00 C ATOM 1407 C TYR A 94 -4.292 -3.904 -9.888 1.00 0.00 C ATOM 1408 O TYR A 94 -4.686 -2.862 -9.362 1.00 0.00 O ATOM 1409 CB TYR A 94 -3.785 -6.357 -9.689 1.00 0.00 C ATOM 1410 CG TYR A 94 -4.128 -7.686 -9.058 1.00 0.00 C ATOM 1411 CD1 TYR A 94 -3.792 -7.955 -7.738 1.00 0.00 C ATOM 1412 CD2 TYR A 94 -4.785 -8.673 -9.783 1.00 0.00 C ATOM 1413 CE1 TYR A 94 -4.100 -9.170 -7.157 1.00 0.00 C ATOM 1414 CE2 TYR A 94 -5.098 -9.891 -9.207 1.00 0.00 C ATOM 1415 CZ TYR A 94 -4.752 -10.133 -7.894 1.00 0.00 C ATOM 1416 OH TYR A 94 -5.061 -11.344 -7.317 1.00 0.00 O ATOM 0 H TYR A 94 -6.864 -5.706 -9.380 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.998 -5.201 -8.353 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.679 -6.494 -10.765 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.817 -6.026 -9.313 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.281 -7.202 -7.156 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.055 -8.486 -10.812 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.831 -9.364 -6.129 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.610 -10.648 -9.782 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.521 -11.910 -7.971 1.00 0.00 H new ATOM 1426 N PHE A 95 -3.422 -3.930 -10.893 1.00 0.00 N ATOM 1427 CA PHE A 95 -2.729 -2.735 -11.354 1.00 0.00 C ATOM 1428 C PHE A 95 -1.785 -3.071 -12.505 1.00 0.00 C ATOM 1429 O PHE A 95 -1.639 -4.235 -12.884 1.00 0.00 O ATOM 1430 CB PHE A 95 -1.956 -2.059 -10.204 1.00 0.00 C ATOM 1431 CG PHE A 95 -0.938 -2.934 -9.512 1.00 0.00 C ATOM 1432 CD1 PHE A 95 -1.322 -3.824 -8.518 1.00 0.00 C ATOM 1433 CD2 PHE A 95 0.402 -2.854 -9.845 1.00 0.00 C ATOM 1434 CE1 PHE A 95 -0.390 -4.616 -7.877 1.00 0.00 C ATOM 1435 CE2 PHE A 95 1.339 -3.644 -9.205 1.00 0.00 C ATOM 1436 CZ PHE A 95 0.942 -4.528 -8.222 1.00 0.00 C ATOM 0 H PHE A 95 -3.179 -4.777 -11.408 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.481 -2.032 -11.714 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.447 -1.179 -10.597 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.673 -1.708 -9.462 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.364 -3.898 -8.242 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.720 -2.166 -10.614 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.704 -5.304 -7.106 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.382 -3.569 -9.474 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.673 -5.149 -7.725 1.00 0.00 H new ATOM 1446 N SER A 96 -1.140 -2.045 -13.045 1.00 0.00 N ATOM 1447 CA SER A 96 -0.293 -2.198 -14.221 1.00 0.00 C ATOM 1448 C SER A 96 1.068 -2.807 -13.877 1.00 0.00 C ATOM 1449 O SER A 96 1.579 -2.644 -12.764 1.00 0.00 O ATOM 1450 CB SER A 96 -0.096 -0.839 -14.899 1.00 0.00 C ATOM 1451 OG SER A 96 0.794 -0.939 -15.998 1.00 0.00 O ATOM 0 H SER A 96 -1.188 -1.092 -12.685 1.00 0.00 H new ATOM 0 HA SER A 96 -0.797 -2.884 -14.901 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.058 -0.457 -15.240 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.293 -0.122 -14.176 1.00 0.00 H new ATOM 0 HG SER A 96 0.901 -0.058 -16.414 1.00 0.00 H new ATOM 1457 N THR A 97 1.649 -3.491 -14.860 1.00 0.00 N ATOM 1458 CA THR A 97 2.973 -4.089 -14.737 1.00 0.00 C ATOM 1459 C THR A 97 4.009 -3.029 -14.403 1.00 0.00 C ATOM 1460 O THR A 97 4.908 -3.248 -13.598 1.00 0.00 O ATOM 1461 CB THR A 97 3.361 -4.803 -16.052 1.00 0.00 C ATOM 1462 OG1 THR A 97 4.569 -5.560 -15.882 1.00 0.00 O ATOM 1463 CG2 THR A 97 3.539 -3.826 -17.211 1.00 0.00 C ATOM 0 H THR A 97 1.211 -3.646 -15.768 1.00 0.00 H new ATOM 0 HA THR A 97 2.945 -4.819 -13.928 1.00 0.00 H new ATOM 0 HB THR A 97 2.537 -5.473 -16.296 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.322 -5.066 -16.270 1.00 0.00 H new ATOM 0 HG21 THR A 97 3.811 -4.376 -18.112 1.00 0.00 H new ATOM 0 HG22 THR A 97 2.606 -3.290 -17.381 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.328 -3.114 -16.969 1.00 0.00 H new ATOM 1471 N TYR A 98 3.840 -1.884 -15.039 1.00 0.00 N ATOM 1472 CA TYR A 98 4.703 -0.715 -14.848 1.00 0.00 C ATOM 1473 C TYR A 98 5.011 -0.463 -13.368 1.00 0.00 C ATOM 1474 O TYR A 98 6.172 -0.391 -12.965 1.00 0.00 O ATOM 1475 CB TYR A 98 4.029 0.518 -15.461 1.00 0.00 C ATOM 1476 CG TYR A 98 4.739 1.827 -15.189 1.00 0.00 C ATOM 1477 CD1 TYR A 98 5.944 2.132 -15.809 1.00 0.00 C ATOM 1478 CD2 TYR A 98 4.194 2.763 -14.320 1.00 0.00 C ATOM 1479 CE1 TYR A 98 6.585 3.331 -15.567 1.00 0.00 C ATOM 1480 CE2 TYR A 98 4.830 3.964 -14.073 1.00 0.00 C ATOM 1481 CZ TYR A 98 6.023 4.244 -14.698 1.00 0.00 C ATOM 1482 OH TYR A 98 6.656 5.444 -14.457 1.00 0.00 O ATOM 0 H TYR A 98 3.091 -1.730 -15.714 1.00 0.00 H new ATOM 0 HA TYR A 98 5.652 -0.911 -15.347 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.956 0.377 -16.539 1.00 0.00 H new ATOM 0 HB3 TYR A 98 3.010 0.586 -15.079 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.386 1.421 -16.491 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.257 2.548 -13.829 1.00 0.00 H new ATOM 0 HE1 TYR A 98 7.522 3.553 -16.056 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.393 4.680 -13.393 1.00 0.00 H new ATOM 0 HH TYR A 98 6.127 5.971 -13.822 1.00 0.00 H new ATOM 1492 N MET A 99 3.963 -0.356 -12.561 1.00 0.00 N ATOM 1493 CA MET A 99 4.125 -0.051 -11.146 1.00 0.00 C ATOM 1494 C MET A 99 4.625 -1.264 -10.374 1.00 0.00 C ATOM 1495 O MET A 99 5.329 -1.125 -9.373 1.00 0.00 O ATOM 1496 CB MET A 99 2.807 0.455 -10.562 1.00 0.00 C ATOM 1497 CG MET A 99 2.417 1.831 -11.077 1.00 0.00 C ATOM 1498 SD MET A 99 0.805 2.370 -10.485 1.00 0.00 S ATOM 1499 CE MET A 99 -0.267 1.181 -11.286 1.00 0.00 C ATOM 0 H MET A 99 2.995 -0.475 -12.861 1.00 0.00 H new ATOM 0 HA MET A 99 4.875 0.734 -11.051 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.014 -0.254 -10.801 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.887 0.489 -9.475 1.00 0.00 H new ATOM 0 HG2 MET A 99 3.172 2.555 -10.771 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.412 1.817 -12.167 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.301 1.374 -11.001 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.166 1.270 -12.368 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.012 0.174 -10.977 1.00 0.00 H new ATOM 1509 N GLN A 100 4.274 -2.452 -10.851 1.00 0.00 N ATOM 1510 CA GLN A 100 4.719 -3.688 -10.220 1.00 0.00 C ATOM 1511 C GLN A 100 6.225 -3.848 -10.380 1.00 0.00 C ATOM 1512 O GLN A 100 6.926 -4.189 -9.431 1.00 0.00 O ATOM 1513 CB GLN A 100 4.008 -4.896 -10.833 1.00 0.00 C ATOM 1514 CG GLN A 100 4.413 -6.219 -10.203 1.00 0.00 C ATOM 1515 CD GLN A 100 3.756 -7.415 -10.860 1.00 0.00 C ATOM 1516 OE1 GLN A 100 4.325 -8.506 -10.897 1.00 0.00 O ATOM 1517 NE2 GLN A 100 2.549 -7.226 -11.371 1.00 0.00 N ATOM 0 H GLN A 100 3.683 -2.585 -11.672 1.00 0.00 H new ATOM 0 HA GLN A 100 4.472 -3.635 -9.160 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.931 -4.766 -10.727 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.222 -4.930 -11.901 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.496 -6.327 -10.264 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.153 -6.205 -9.144 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.112 -6.306 -11.320 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.056 -8.001 -11.816 1.00 0.00 H new ATOM 1526 N GLU A 101 6.707 -3.583 -11.587 1.00 0.00 N ATOM 1527 CA GLU A 101 8.124 -3.695 -11.900 1.00 0.00 C ATOM 1528 C GLU A 101 8.942 -2.708 -11.075 1.00 0.00 C ATOM 1529 O GLU A 101 10.015 -3.049 -10.584 1.00 0.00 O ATOM 1530 CB GLU A 101 8.348 -3.470 -13.396 1.00 0.00 C ATOM 1531 CG GLU A 101 7.741 -4.567 -14.262 1.00 0.00 C ATOM 1532 CD GLU A 101 7.771 -4.241 -15.740 1.00 0.00 C ATOM 1533 OE1 GLU A 101 8.871 -4.228 -16.330 1.00 0.00 O ATOM 1534 OE2 GLU A 101 6.692 -4.003 -16.319 1.00 0.00 O ATOM 0 H GLU A 101 6.129 -3.286 -12.373 1.00 0.00 H new ATOM 0 HA GLU A 101 8.459 -4.700 -11.644 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.918 -2.510 -13.682 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.419 -3.411 -13.592 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.281 -5.498 -14.090 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.709 -4.736 -13.954 1.00 0.00 H new ATOM 1541 N GLN A 102 8.423 -1.492 -10.911 1.00 0.00 N ATOM 1542 CA GLN A 102 9.081 -0.484 -10.084 1.00 0.00 C ATOM 1543 C GLN A 102 9.267 -1.019 -8.672 1.00 0.00 C ATOM 1544 O GLN A 102 10.371 -0.998 -8.112 1.00 0.00 O ATOM 1545 CB GLN A 102 8.245 0.798 -10.047 1.00 0.00 C ATOM 1546 CG GLN A 102 8.967 1.993 -9.439 1.00 0.00 C ATOM 1547 CD GLN A 102 8.116 3.250 -9.432 1.00 0.00 C ATOM 1548 OE1 GLN A 102 7.270 3.449 -10.305 1.00 0.00 O ATOM 1549 NE2 GLN A 102 8.329 4.103 -8.442 1.00 0.00 N ATOM 0 H GLN A 102 7.551 -1.182 -11.339 1.00 0.00 H new ATOM 0 HA GLN A 102 10.056 -0.256 -10.514 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.940 1.050 -11.063 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.335 0.609 -9.478 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.262 1.753 -8.417 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.883 2.182 -9.999 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.040 3.901 -7.739 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.783 4.962 -8.383 1.00 0.00 H new ATOM 1558 N LEU A 103 8.174 -1.506 -8.107 1.00 0.00 N ATOM 1559 CA LEU A 103 8.204 -2.143 -6.798 1.00 0.00 C ATOM 1560 C LEU A 103 9.188 -3.307 -6.782 1.00 0.00 C ATOM 1561 O LEU A 103 10.202 -3.263 -6.080 1.00 0.00 O ATOM 1562 CB LEU A 103 6.813 -2.661 -6.422 1.00 0.00 C ATOM 1563 CG LEU A 103 5.784 -1.594 -6.056 1.00 0.00 C ATOM 1564 CD1 LEU A 103 4.387 -2.194 -6.034 1.00 0.00 C ATOM 1565 CD2 LEU A 103 6.108 -0.988 -4.701 1.00 0.00 C ATOM 0 H LEU A 103 7.249 -1.472 -8.536 1.00 0.00 H new ATOM 0 HA LEU A 103 8.524 -1.394 -6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.424 -3.242 -7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.916 -3.344 -5.579 1.00 0.00 H new ATOM 0 HG LEU A 103 5.820 -0.808 -6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.664 -1.422 -5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.148 -2.596 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.347 -2.995 -5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.365 -0.229 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.095 -1.769 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.097 -0.530 -4.734 1.00 0.00 H new ATOM 1577 N LYS A 104 8.888 -4.318 -7.589 1.00 0.00 N ATOM 1578 CA LYS A 104 9.589 -5.597 -7.565 1.00 0.00 C ATOM 1579 C LYS A 104 11.087 -5.446 -7.809 1.00 0.00 C ATOM 1580 O LYS A 104 11.890 -5.983 -7.052 1.00 0.00 O ATOM 1581 CB LYS A 104 8.979 -6.531 -8.609 1.00 0.00 C ATOM 1582 CG LYS A 104 9.425 -7.976 -8.478 1.00 0.00 C ATOM 1583 CD LYS A 104 8.723 -8.858 -9.497 1.00 0.00 C ATOM 1584 CE LYS A 104 9.044 -10.325 -9.281 1.00 0.00 C ATOM 1585 NZ LYS A 104 8.349 -11.192 -10.268 1.00 0.00 N ATOM 0 H LYS A 104 8.144 -4.273 -8.285 1.00 0.00 H new ATOM 0 HA LYS A 104 9.470 -6.020 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.893 -6.488 -8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.241 -6.169 -9.603 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.504 -8.041 -8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.211 -8.336 -7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.646 -8.707 -9.429 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.023 -8.563 -10.502 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.121 -10.477 -9.358 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.752 -10.616 -8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.593 -12.187 -10.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.321 -11.066 -10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.646 -10.931 -11.230 1.00 0.00 H new ATOM 1599 N GLU A 105 11.460 -4.713 -8.853 1.00 0.00 N ATOM 1600 CA GLU A 105 12.869 -4.551 -9.206 1.00 0.00 C ATOM 1601 C GLU A 105 13.616 -3.864 -8.067 1.00 0.00 C ATOM 1602 O GLU A 105 14.658 -4.340 -7.615 1.00 0.00 O ATOM 1603 CB GLU A 105 13.001 -3.742 -10.505 1.00 0.00 C ATOM 1604 CG GLU A 105 14.300 -3.974 -11.273 1.00 0.00 C ATOM 1605 CD GLU A 105 15.526 -3.418 -10.578 1.00 0.00 C ATOM 1606 OE1 GLU A 105 15.538 -2.212 -10.259 1.00 0.00 O ATOM 1607 OE2 GLU A 105 16.494 -4.180 -10.365 1.00 0.00 O ATOM 0 H GLU A 105 10.811 -4.223 -9.468 1.00 0.00 H new ATOM 0 HA GLU A 105 13.310 -5.535 -9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.162 -3.987 -11.156 1.00 0.00 H new ATOM 0 HB3 GLU A 105 12.921 -2.682 -10.266 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.435 -5.045 -11.427 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.215 -3.519 -12.260 1.00 0.00 H new ATOM 1614 N LEU A 106 13.054 -2.769 -7.569 1.00 0.00 N ATOM 1615 CA LEU A 106 13.685 -2.024 -6.487 1.00 0.00 C ATOM 1616 C LEU A 106 13.488 -2.723 -5.136 1.00 0.00 C ATOM 1617 O LEU A 106 13.871 -2.194 -4.092 1.00 0.00 O ATOM 1618 CB LEU A 106 13.148 -0.586 -6.432 1.00 0.00 C ATOM 1619 CG LEU A 106 13.747 0.395 -7.454 1.00 0.00 C ATOM 1620 CD1 LEU A 106 15.266 0.426 -7.342 1.00 0.00 C ATOM 1621 CD2 LEU A 106 13.321 0.048 -8.876 1.00 0.00 C ATOM 0 H LEU A 106 12.169 -2.380 -7.894 1.00 0.00 H new ATOM 0 HA LEU A 106 14.755 -1.988 -6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.068 -0.616 -6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.325 -0.191 -5.432 1.00 0.00 H new ATOM 0 HG LEU A 106 13.361 1.388 -7.225 1.00 0.00 H new ATOM 0 HD11 LEU A 106 15.671 1.126 -8.073 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.550 0.744 -6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 106 15.665 -0.570 -7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.762 0.761 -9.572 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.661 -0.958 -9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.234 0.092 -8.951 1.00 0.00 H new ATOM 1633 N VAL A 107 12.835 -3.880 -5.152 1.00 0.00 N ATOM 1634 CA VAL A 107 12.783 -4.753 -3.981 1.00 0.00 C ATOM 1635 C VAL A 107 13.798 -5.883 -4.135 1.00 0.00 C ATOM 1636 O VAL A 107 14.405 -6.319 -3.158 1.00 0.00 O ATOM 1637 CB VAL A 107 11.367 -5.348 -3.750 1.00 0.00 C ATOM 1638 CG1 VAL A 107 11.398 -6.480 -2.732 1.00 0.00 C ATOM 1639 CG2 VAL A 107 10.401 -4.271 -3.282 1.00 0.00 C ATOM 0 H VAL A 107 12.333 -4.237 -5.965 1.00 0.00 H new ATOM 0 HA VAL A 107 13.027 -4.145 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 107 11.025 -5.749 -4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 107 10.391 -6.873 -2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.052 -7.275 -3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 107 11.774 -6.103 -1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 107 9.415 -4.709 -3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.760 -3.842 -2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.335 -3.488 -4.038 1.00 0.00 H new ATOM 1649 N LEU A 108 13.995 -6.321 -5.377 1.00 0.00 N ATOM 1650 CA LEU A 108 14.928 -7.398 -5.699 1.00 0.00 C ATOM 1651 C LEU A 108 16.337 -7.036 -5.237 1.00 0.00 C ATOM 1652 O LEU A 108 17.123 -7.907 -4.860 1.00 0.00 O ATOM 1653 CB LEU A 108 14.896 -7.673 -7.213 1.00 0.00 C ATOM 1654 CG LEU A 108 15.656 -8.915 -7.700 1.00 0.00 C ATOM 1655 CD1 LEU A 108 15.042 -9.430 -8.992 1.00 0.00 C ATOM 1656 CD2 LEU A 108 17.130 -8.607 -7.926 1.00 0.00 C ATOM 0 H LEU A 108 13.511 -5.938 -6.189 1.00 0.00 H new ATOM 0 HA LEU A 108 14.628 -8.305 -5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.855 -7.768 -7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.302 -6.802 -7.727 1.00 0.00 H new ATOM 0 HG LEU A 108 15.577 -9.679 -6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 108 15.589 -10.311 -9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 108 13.999 -9.694 -8.819 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.098 -8.654 -9.756 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.641 -9.506 -8.270 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.227 -7.824 -8.678 1.00 0.00 H new ATOM 0 HD23 LEU A 108 17.579 -8.270 -6.992 1.00 0.00 H new ATOM 1668 N GLU A 109 16.646 -5.746 -5.264 1.00 0.00 N ATOM 1669 CA GLU A 109 17.912 -5.255 -4.743 1.00 0.00 C ATOM 1670 C GLU A 109 18.024 -5.509 -3.244 1.00 0.00 C ATOM 1671 O GLU A 109 18.879 -6.287 -2.808 1.00 0.00 O ATOM 1672 CB GLU A 109 18.068 -3.758 -5.027 1.00 0.00 C ATOM 1673 CG GLU A 109 18.516 -3.458 -6.442 1.00 0.00 C ATOM 1674 CD GLU A 109 19.877 -4.047 -6.744 1.00 0.00 C ATOM 1675 OE1 GLU A 109 20.894 -3.446 -6.343 1.00 0.00 O ATOM 1676 OE2 GLU A 109 19.941 -5.117 -7.379 1.00 0.00 O ATOM 0 H GLU A 109 16.036 -5.021 -5.642 1.00 0.00 H new ATOM 0 HA GLU A 109 18.711 -5.799 -5.248 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.117 -3.259 -4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 109 18.790 -3.336 -4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.785 -3.856 -7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.547 -2.379 -6.591 1.00 0.00 H new ATOM 1683 N HIS A 110 17.124 -4.879 -2.472 1.00 0.00 N ATOM 1684 CA HIS A 110 17.187 -4.861 -1.000 1.00 0.00 C ATOM 1685 C HIS A 110 18.631 -4.719 -0.518 1.00 0.00 C ATOM 1686 O HIS A 110 19.430 -4.031 -1.156 1.00 0.00 O ATOM 1687 CB HIS A 110 16.480 -6.082 -0.358 1.00 0.00 C ATOM 1688 CG HIS A 110 16.852 -7.440 -0.890 1.00 0.00 C ATOM 1689 ND1 HIS A 110 16.353 -8.142 -1.932 1.00 0.00 N flip ATOM 1690 CD2 HIS A 110 17.801 -8.255 -0.308 1.00 0.00 C flip ATOM 1691 CE1 HIS A 110 16.998 -9.352 -1.962 1.00 0.00 C flip ATOM 1692 NE2 HIS A 110 17.868 -9.394 -0.973 1.00 0.00 N flip ATOM 0 H HIS A 110 16.329 -4.366 -2.852 1.00 0.00 H new ATOM 0 HA HIS A 110 16.634 -3.983 -0.665 1.00 0.00 H new ATOM 0 HB2 HIS A 110 16.685 -6.069 0.712 1.00 0.00 H new ATOM 0 HB3 HIS A 110 15.404 -5.953 -0.478 1.00 0.00 H new ATOM 0 HD1 HIS A 110 15.629 -7.829 -2.578 1.00 0.00 H new ATOM 0 HD2 HIS A 110 18.396 -8.001 0.557 1.00 0.00 H new ATOM 0 HE1 HIS A 110 16.822 -10.141 -2.678 1.00 0.00 H new TER 1701 HIS A 110