USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 786 hydrogens (18 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 20 ASN : amide:sc= -0.879! X(o=-2.1!,f=-2.3) USER MOD Set 1.2: A 21 ASN : amide:sc= -1.23 K(o=-2.1,f=-1.5) USER MOD Single : A 1 SER N :NH3+ 144:sc= 0.235 (180deg=0.0136) USER MOD Single : A 1 SER OG : rot 180:sc= 0.146 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -1.7 X(o=-1.7,f=-1.4) USER MOD Single : A 7 SER OG : rot 150:sc= -0.903 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0.232 X(o=0.23,f=0) USER MOD Single : A 15 ASN : amide:sc= -1.57 K(o=-1.6,f=-0.49) USER MOD Single : A 28 SER OG : rot 75:sc= 0.258 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.705 K(o=0.71,f=-7!) USER MOD Single : A 41 THR OG1 : rot -83:sc= 0.0708 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.543 USER MOD Single : A 46 SER OG : rot -4:sc= 0.361 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -6.21! C(o=-6.2!,f=-6.9!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl -100:sc= 0 (180deg=-0.853) USER MOD Single : A 69 GLN : amide:sc= -1.17! X(o=-1.2!,f=-0.73) USER MOD Single : A 72 SER OG : rot 180:sc= -0.622 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -147:sc= -2.83 (180deg=-5.17!) USER MOD Single : A 87 HIS : no HD1:sc= -0.226 K(o=-0.23,f=-0.73) USER MOD Single : A 89 MET CE :methyl 172:sc= -2.7! (180deg=-3.01!) USER MOD Single : A 90 GLN : amide:sc= -0.028 X(o=-0.028,f=-0.35) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.43 X(o=-0.43,f=-0.43) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 45:sc= -0.376 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 WSK O0 : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -26.044 20.173 -2.003 1.00 0.00 N ATOM 2 CA SER A 1 -26.120 20.943 -3.271 1.00 0.00 C ATOM 3 C SER A 1 -24.971 21.940 -3.381 1.00 0.00 C ATOM 4 O SER A 1 -25.175 23.151 -3.289 1.00 0.00 O ATOM 5 CB SER A 1 -27.461 21.677 -3.317 1.00 0.00 C ATOM 6 OG SER A 1 -28.492 20.894 -2.739 1.00 0.00 O ATOM 0 H1 SER A 1 -27.005 19.996 -1.646 1.00 0.00 H new ATOM 0 H2 SER A 1 -25.567 19.265 -2.176 1.00 0.00 H new ATOM 0 H3 SER A 1 -25.507 20.717 -1.298 1.00 0.00 H new ATOM 0 HA SER A 1 -26.039 20.254 -4.112 1.00 0.00 H new ATOM 0 HB2 SER A 1 -27.379 22.625 -2.785 1.00 0.00 H new ATOM 0 HB3 SER A 1 -27.715 21.912 -4.351 1.00 0.00 H new ATOM 0 HG SER A 1 -29.338 21.386 -2.779 1.00 0.00 H new ATOM 14 N GLY A 2 -23.763 21.423 -3.577 1.00 0.00 N ATOM 15 CA GLY A 2 -22.599 22.281 -3.695 1.00 0.00 C ATOM 16 C GLY A 2 -21.602 22.062 -2.574 1.00 0.00 C ATOM 17 O GLY A 2 -21.442 22.914 -1.701 1.00 0.00 O ATOM 0 H GLY A 2 -23.569 20.425 -3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -22.111 22.097 -4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -22.918 23.323 -3.695 1.00 0.00 H new ATOM 21 N PHE A 3 -20.931 20.915 -2.598 1.00 0.00 N ATOM 22 CA PHE A 3 -19.945 20.584 -1.576 1.00 0.00 C ATOM 23 C PHE A 3 -18.537 20.572 -2.160 1.00 0.00 C ATOM 24 O PHE A 3 -18.347 20.277 -3.340 1.00 0.00 O ATOM 25 CB PHE A 3 -20.263 19.223 -0.953 1.00 0.00 C ATOM 26 CG PHE A 3 -20.798 18.221 -1.938 1.00 0.00 C ATOM 27 CD1 PHE A 3 -19.939 17.390 -2.637 1.00 0.00 C ATOM 28 CD2 PHE A 3 -22.161 18.114 -2.164 1.00 0.00 C ATOM 29 CE1 PHE A 3 -20.428 16.468 -3.544 1.00 0.00 C ATOM 30 CE2 PHE A 3 -22.657 17.195 -3.070 1.00 0.00 C ATOM 31 CZ PHE A 3 -21.789 16.370 -3.760 1.00 0.00 C ATOM 0 H PHE A 3 -21.052 20.199 -3.314 1.00 0.00 H new ATOM 0 HA PHE A 3 -19.990 21.350 -0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -19.359 18.822 -0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -20.992 19.360 -0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -18.874 17.463 -2.472 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -22.843 18.756 -1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -19.747 15.826 -4.083 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -23.721 17.122 -3.238 1.00 0.00 H new ATOM 0 HZ PHE A 3 -22.174 15.650 -4.467 1.00 0.00 H new ATOM 41 N LYS A 4 -17.553 20.895 -1.328 1.00 0.00 N ATOM 42 CA LYS A 4 -16.162 20.921 -1.762 1.00 0.00 C ATOM 43 C LYS A 4 -15.572 19.515 -1.783 1.00 0.00 C ATOM 44 O LYS A 4 -14.953 19.074 -0.814 1.00 0.00 O ATOM 45 CB LYS A 4 -15.335 21.820 -0.840 1.00 0.00 C ATOM 46 CG LYS A 4 -15.381 23.291 -1.223 1.00 0.00 C ATOM 47 CD LYS A 4 -14.033 23.964 -1.020 1.00 0.00 C ATOM 48 CE LYS A 4 -13.270 24.087 -2.328 1.00 0.00 C ATOM 49 NZ LYS A 4 -12.455 22.875 -2.613 1.00 0.00 N ATOM 0 H LYS A 4 -17.694 21.143 -0.349 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.131 21.324 -2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.696 21.708 0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.299 21.482 -0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.683 23.387 -2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.136 23.800 -0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.181 24.954 -0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.443 23.390 -0.306 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.974 24.251 -3.144 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.619 24.960 -2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.951 23.000 -3.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.766 22.732 -1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.078 22.045 -2.677 1.00 0.00 H new ATOM 63 N HIS A 5 -15.773 18.813 -2.894 1.00 0.00 N ATOM 64 CA HIS A 5 -15.265 17.455 -3.043 1.00 0.00 C ATOM 65 C HIS A 5 -13.751 17.455 -3.226 1.00 0.00 C ATOM 66 O HIS A 5 -13.248 17.737 -4.314 1.00 0.00 O ATOM 67 CB HIS A 5 -15.931 16.769 -4.238 1.00 0.00 C ATOM 68 CG HIS A 5 -15.897 17.588 -5.491 1.00 0.00 C ATOM 69 ND1 HIS A 5 -16.930 18.415 -5.878 1.00 0.00 N ATOM 70 CD2 HIS A 5 -14.945 17.707 -6.447 1.00 0.00 C ATOM 71 CE1 HIS A 5 -16.617 19.006 -7.018 1.00 0.00 C ATOM 72 NE2 HIS A 5 -15.417 18.593 -7.384 1.00 0.00 N ATOM 0 H HIS A 5 -16.284 19.163 -3.704 1.00 0.00 H new ATOM 0 HA HIS A 5 -15.503 16.904 -2.133 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -15.435 15.816 -4.423 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -16.968 16.546 -3.987 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -13.992 17.199 -6.468 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -17.237 19.707 -7.558 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -14.921 18.885 -8.226 1.00 0.00 H new ATOM 81 N VAL A 6 -13.028 17.136 -2.157 1.00 0.00 N ATOM 82 CA VAL A 6 -11.572 17.100 -2.206 1.00 0.00 C ATOM 83 C VAL A 6 -11.021 15.935 -1.389 1.00 0.00 C ATOM 84 O VAL A 6 -10.959 15.998 -0.161 1.00 0.00 O ATOM 85 CB VAL A 6 -10.956 18.414 -1.688 1.00 0.00 C ATOM 86 CG1 VAL A 6 -11.403 19.588 -2.545 1.00 0.00 C ATOM 87 CG2 VAL A 6 -11.323 18.642 -0.229 1.00 0.00 C ATOM 0 H VAL A 6 -13.426 16.899 -1.248 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.297 16.968 -3.252 1.00 0.00 H new ATOM 0 HB VAL A 6 -9.871 18.334 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.958 20.507 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.083 19.430 -3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.489 19.670 -2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.878 19.575 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.407 18.699 -0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -10.947 17.815 0.374 1.00 0.00 H new ATOM 97 N SER A 7 -10.619 14.871 -2.078 1.00 0.00 N ATOM 98 CA SER A 7 -10.061 13.700 -1.412 1.00 0.00 C ATOM 99 C SER A 7 -8.940 14.107 -0.464 1.00 0.00 C ATOM 100 O SER A 7 -8.944 13.747 0.713 1.00 0.00 O ATOM 101 CB SER A 7 -9.534 12.702 -2.445 1.00 0.00 C ATOM 102 OG SER A 7 -8.872 11.619 -1.816 1.00 0.00 O ATOM 0 H SER A 7 -10.669 14.796 -3.094 1.00 0.00 H new ATOM 0 HA SER A 7 -10.853 13.225 -0.833 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.361 12.326 -3.047 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.848 13.206 -3.125 1.00 0.00 H new ATOM 0 HG SER A 7 -8.968 10.813 -2.365 1.00 0.00 H new ATOM 108 N HIS A 8 -7.997 14.891 -0.979 1.00 0.00 N ATOM 109 CA HIS A 8 -6.867 15.370 -0.189 1.00 0.00 C ATOM 110 C HIS A 8 -5.807 14.293 -0.048 1.00 0.00 C ATOM 111 O HIS A 8 -4.715 14.427 -0.593 1.00 0.00 O ATOM 112 CB HIS A 8 -7.327 15.853 1.194 1.00 0.00 C ATOM 113 CG HIS A 8 -6.566 17.039 1.696 1.00 0.00 C ATOM 114 ND1 HIS A 8 -7.032 18.332 1.591 1.00 0.00 N ATOM 115 CD2 HIS A 8 -5.365 17.122 2.316 1.00 0.00 C ATOM 116 CE1 HIS A 8 -6.151 19.160 2.120 1.00 0.00 C ATOM 117 NE2 HIS A 8 -5.131 18.451 2.568 1.00 0.00 N ATOM 0 H HIS A 8 -7.994 15.210 -1.948 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.428 16.216 -0.718 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.387 16.104 1.148 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.224 15.036 1.908 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.714 16.297 2.565 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -6.248 20.234 2.177 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.303 18.830 3.027 1.00 0.00 H new ATOM 126 N VAL A 9 -6.177 13.239 0.677 1.00 0.00 N ATOM 127 CA VAL A 9 -5.328 12.067 0.962 1.00 0.00 C ATOM 128 C VAL A 9 -5.198 11.852 2.464 1.00 0.00 C ATOM 129 O VAL A 9 -5.177 12.807 3.241 1.00 0.00 O ATOM 130 CB VAL A 9 -3.902 12.143 0.360 1.00 0.00 C ATOM 131 CG1 VAL A 9 -3.069 13.216 1.055 1.00 0.00 C ATOM 132 CG2 VAL A 9 -3.207 10.790 0.465 1.00 0.00 C ATOM 0 H VAL A 9 -7.103 13.168 1.099 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.839 11.233 0.481 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.996 12.412 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.073 13.247 0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.551 14.186 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.987 12.982 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.207 10.861 0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.134 10.499 1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.782 10.042 -0.080 1.00 0.00 H new ATOM 142 N GLY A 10 -5.091 10.593 2.860 1.00 0.00 N ATOM 143 CA GLY A 10 -4.897 10.272 4.255 1.00 0.00 C ATOM 144 C GLY A 10 -3.428 10.067 4.562 1.00 0.00 C ATOM 145 O GLY A 10 -2.957 10.381 5.655 1.00 0.00 O ATOM 0 H GLY A 10 -5.135 9.787 2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.294 11.075 4.876 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.455 9.370 4.506 1.00 0.00 H new ATOM 149 N TRP A 11 -2.696 9.581 3.561 1.00 0.00 N ATOM 150 CA TRP A 11 -1.259 9.368 3.682 1.00 0.00 C ATOM 151 C TRP A 11 -0.519 10.701 3.607 1.00 0.00 C ATOM 152 O TRP A 11 -0.509 11.362 2.567 1.00 0.00 O ATOM 153 CB TRP A 11 -0.775 8.410 2.582 1.00 0.00 C ATOM 154 CG TRP A 11 0.712 8.412 2.370 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.624 7.576 2.947 1.00 0.00 C ATOM 156 CD2 TRP A 11 1.455 9.290 1.516 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.889 7.882 2.506 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.811 8.930 1.626 1.00 0.00 C ATOM 159 CE3 TRP A 11 1.104 10.345 0.670 1.00 0.00 C ATOM 160 CZ2 TRP A 11 3.815 9.590 0.921 1.00 0.00 C ATOM 161 CZ3 TRP A 11 2.101 10.999 -0.028 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.443 10.620 0.101 1.00 0.00 C ATOM 0 H TRP A 11 -3.080 9.326 2.651 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.046 8.916 4.651 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.093 7.398 2.832 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.264 8.675 1.645 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.386 6.789 3.648 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.746 7.407 2.788 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.072 10.644 0.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.850 9.299 1.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.841 11.816 -0.684 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.199 11.151 -0.458 1.00 0.00 H new ATOM 173 N ASP A 12 0.092 11.091 4.718 1.00 0.00 N ATOM 174 CA ASP A 12 0.831 12.348 4.787 1.00 0.00 C ATOM 175 C ASP A 12 2.338 12.101 4.697 1.00 0.00 C ATOM 176 O ASP A 12 2.891 11.326 5.477 1.00 0.00 O ATOM 177 CB ASP A 12 0.502 13.081 6.089 1.00 0.00 C ATOM 178 CG ASP A 12 0.279 14.565 5.877 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.186 14.990 4.706 1.00 0.00 O ATOM 180 OD2 ASP A 12 0.198 15.303 6.881 1.00 0.00 O ATOM 0 H ASP A 12 0.091 10.555 5.586 1.00 0.00 H new ATOM 0 HA ASP A 12 0.531 12.966 3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.391 12.642 6.534 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.316 12.937 6.800 1.00 0.00 H new ATOM 185 N PRO A 13 3.028 12.762 3.749 1.00 0.00 N ATOM 186 CA PRO A 13 4.477 12.602 3.577 1.00 0.00 C ATOM 187 C PRO A 13 5.252 13.001 4.829 1.00 0.00 C ATOM 188 O PRO A 13 5.666 14.150 4.975 1.00 0.00 O ATOM 189 CB PRO A 13 4.818 13.547 2.418 1.00 0.00 C ATOM 190 CG PRO A 13 3.526 13.787 1.717 1.00 0.00 C ATOM 191 CD PRO A 13 2.461 13.709 2.774 1.00 0.00 C ATOM 0 HA PRO A 13 4.747 11.564 3.385 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.247 14.480 2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.552 13.100 1.748 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.522 14.762 1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.359 13.041 0.939 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.267 14.683 3.224 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.515 13.351 2.368 1.00 0.00 H new ATOM 199 N GLN A 14 5.444 12.044 5.730 1.00 0.00 N ATOM 200 CA GLN A 14 6.170 12.299 6.968 1.00 0.00 C ATOM 201 C GLN A 14 6.164 11.071 7.869 1.00 0.00 C ATOM 202 O GLN A 14 7.215 10.513 8.183 1.00 0.00 O ATOM 203 CB GLN A 14 5.554 13.490 7.706 1.00 0.00 C ATOM 204 CG GLN A 14 6.530 14.632 7.936 1.00 0.00 C ATOM 205 CD GLN A 14 5.883 15.994 7.779 1.00 0.00 C ATOM 206 OE1 GLN A 14 5.394 16.578 8.746 1.00 0.00 O ATOM 207 NE2 GLN A 14 5.879 16.509 6.554 1.00 0.00 N ATOM 0 H GLN A 14 5.108 11.087 5.626 1.00 0.00 H new ATOM 0 HA GLN A 14 7.204 12.531 6.712 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.702 13.860 7.135 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.170 13.152 8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.952 14.548 8.937 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.358 14.544 7.233 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.296 15.990 5.781 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.459 17.423 6.387 1.00 0.00 H new ATOM 216 N ASN A 15 4.972 10.657 8.290 1.00 0.00 N ATOM 217 CA ASN A 15 4.831 9.495 9.160 1.00 0.00 C ATOM 218 C ASN A 15 4.627 8.221 8.345 1.00 0.00 C ATOM 219 O ASN A 15 5.291 7.212 8.579 1.00 0.00 O ATOM 220 CB ASN A 15 3.664 9.686 10.134 1.00 0.00 C ATOM 221 CG ASN A 15 2.445 10.307 9.478 1.00 0.00 C ATOM 222 OD1 ASN A 15 2.245 11.521 9.538 1.00 0.00 O ATOM 223 ND2 ASN A 15 1.622 9.477 8.849 1.00 0.00 N ATOM 0 H ASN A 15 4.091 11.109 8.043 1.00 0.00 H new ATOM 0 HA ASN A 15 5.754 9.395 9.732 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.390 8.720 10.559 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.987 10.318 10.961 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.785 9.838 8.391 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.826 8.478 8.824 1.00 0.00 H new ATOM 230 N GLY A 16 3.707 8.276 7.387 1.00 0.00 N ATOM 231 CA GLY A 16 3.441 7.117 6.553 1.00 0.00 C ATOM 232 C GLY A 16 1.990 6.682 6.608 1.00 0.00 C ATOM 233 O GLY A 16 1.092 7.445 6.247 1.00 0.00 O ATOM 0 H GLY A 16 3.143 9.099 7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.709 7.346 5.522 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.077 6.291 6.871 1.00 0.00 H new ATOM 237 N PHE A 17 1.758 5.452 7.055 1.00 0.00 N ATOM 238 CA PHE A 17 0.407 4.915 7.151 1.00 0.00 C ATOM 239 C PHE A 17 -0.284 5.398 8.422 1.00 0.00 C ATOM 240 O PHE A 17 0.373 5.723 9.412 1.00 0.00 O ATOM 241 CB PHE A 17 0.441 3.385 7.131 1.00 0.00 C ATOM 242 CG PHE A 17 0.418 2.796 5.749 1.00 0.00 C ATOM 243 CD1 PHE A 17 -0.770 2.687 5.047 1.00 0.00 C ATOM 244 CD2 PHE A 17 1.586 2.345 5.155 1.00 0.00 C ATOM 245 CE1 PHE A 17 -0.794 2.142 3.776 1.00 0.00 C ATOM 246 CE2 PHE A 17 1.569 1.799 3.886 1.00 0.00 C ATOM 247 CZ PHE A 17 0.378 1.695 3.196 1.00 0.00 C ATOM 0 H PHE A 17 2.490 4.808 7.357 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.159 5.273 6.291 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.339 3.044 7.646 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.412 3.005 7.692 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.689 3.032 5.497 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.521 2.421 5.691 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.727 2.066 3.238 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.487 1.454 3.434 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.362 1.265 2.205 1.00 0.00 H new ATOM 257 N ASP A 18 -1.611 5.439 8.389 1.00 0.00 N ATOM 258 CA ASP A 18 -2.393 5.872 9.542 1.00 0.00 C ATOM 259 C ASP A 18 -3.154 4.696 10.146 1.00 0.00 C ATOM 260 O ASP A 18 -4.383 4.650 10.106 1.00 0.00 O ATOM 261 CB ASP A 18 -3.372 6.976 9.135 1.00 0.00 C ATOM 262 CG ASP A 18 -2.933 8.344 9.620 1.00 0.00 C ATOM 263 OD1 ASP A 18 -2.438 8.439 10.764 1.00 0.00 O ATOM 264 OD2 ASP A 18 -3.084 9.322 8.857 1.00 0.00 O ATOM 0 H ASP A 18 -2.169 5.178 7.576 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.708 6.266 10.293 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.467 6.992 8.049 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.359 6.750 9.538 1.00 0.00 H new ATOM 269 N VAL A 19 -2.412 3.742 10.698 1.00 0.00 N ATOM 270 CA VAL A 19 -3.012 2.557 11.299 1.00 0.00 C ATOM 271 C VAL A 19 -3.951 2.931 12.441 1.00 0.00 C ATOM 272 O VAL A 19 -4.875 2.186 12.765 1.00 0.00 O ATOM 273 CB VAL A 19 -1.936 1.590 11.824 1.00 0.00 C ATOM 274 CG1 VAL A 19 -1.254 0.873 10.669 1.00 0.00 C ATOM 275 CG2 VAL A 19 -0.918 2.333 12.676 1.00 0.00 C ATOM 0 H VAL A 19 -1.393 3.767 10.742 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.584 2.060 10.516 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.421 0.842 12.451 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.496 0.193 11.059 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.994 0.306 10.105 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.782 1.605 10.014 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.166 1.632 13.038 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.436 3.105 12.076 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.422 2.795 13.525 1.00 0.00 H new ATOM 285 N ASN A 20 -3.713 4.091 13.046 1.00 0.00 N ATOM 286 CA ASN A 20 -4.546 4.559 14.147 1.00 0.00 C ATOM 287 C ASN A 20 -6.004 4.665 13.713 1.00 0.00 C ATOM 288 O ASN A 20 -6.904 4.173 14.397 1.00 0.00 O ATOM 289 CB ASN A 20 -4.051 5.916 14.651 1.00 0.00 C ATOM 290 CG ASN A 20 -4.040 6.969 13.562 1.00 0.00 C ATOM 291 OD1 ASN A 20 -5.045 7.637 13.318 1.00 0.00 O ATOM 292 ND2 ASN A 20 -2.900 7.123 12.899 1.00 0.00 N ATOM 0 H ASN A 20 -2.952 4.722 12.793 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.476 3.834 14.958 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.688 6.251 15.469 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.045 5.805 15.055 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.833 7.817 12.154 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.091 6.548 13.134 1.00 0.00 H new ATOM 299 N ASN A 21 -6.232 5.303 12.569 1.00 0.00 N ATOM 300 CA ASN A 21 -7.581 5.470 12.041 1.00 0.00 C ATOM 301 C ASN A 21 -7.739 4.739 10.712 1.00 0.00 C ATOM 302 O ASN A 21 -8.505 5.162 9.846 1.00 0.00 O ATOM 303 CB ASN A 21 -7.898 6.956 11.858 1.00 0.00 C ATOM 304 CG ASN A 21 -7.039 7.603 10.788 1.00 0.00 C ATOM 305 OD1 ASN A 21 -7.177 7.306 9.601 1.00 0.00 O ATOM 306 ND2 ASN A 21 -6.146 8.495 11.203 1.00 0.00 N ATOM 0 H ASN A 21 -5.499 5.713 11.990 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.281 5.040 12.758 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.949 7.071 11.595 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.748 7.476 12.804 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.541 8.963 10.528 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.065 8.711 12.196 1.00 0.00 H new ATOM 313 N LEU A 22 -7.007 3.640 10.557 1.00 0.00 N ATOM 314 CA LEU A 22 -7.065 2.850 9.332 1.00 0.00 C ATOM 315 C LEU A 22 -8.469 2.304 9.099 1.00 0.00 C ATOM 316 O LEU A 22 -9.128 1.839 10.030 1.00 0.00 O ATOM 317 CB LEU A 22 -6.058 1.698 9.400 1.00 0.00 C ATOM 318 CG LEU A 22 -4.988 1.708 8.307 1.00 0.00 C ATOM 319 CD1 LEU A 22 -4.061 0.511 8.459 1.00 0.00 C ATOM 320 CD2 LEU A 22 -5.632 1.717 6.929 1.00 0.00 C ATOM 0 H LEU A 22 -6.367 3.277 11.264 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.809 3.501 8.496 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.564 1.724 10.371 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.603 0.756 9.345 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.395 2.617 8.413 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.306 0.534 7.673 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.573 0.550 9.433 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.639 -0.409 8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.855 1.724 6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.250 0.827 6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.253 2.607 6.823 1.00 0.00 H new ATOM 332 N ASP A 23 -8.923 2.362 7.851 1.00 0.00 N ATOM 333 CA ASP A 23 -10.251 1.873 7.497 1.00 0.00 C ATOM 334 C ASP A 23 -10.310 0.349 7.568 1.00 0.00 C ATOM 335 O ASP A 23 -9.352 -0.334 7.206 1.00 0.00 O ATOM 336 CB ASP A 23 -10.634 2.344 6.093 1.00 0.00 C ATOM 337 CG ASP A 23 -11.648 3.472 6.116 1.00 0.00 C ATOM 338 OD1 ASP A 23 -11.505 4.380 6.961 1.00 0.00 O ATOM 339 OD2 ASP A 23 -12.584 3.446 5.289 1.00 0.00 O ATOM 0 H ASP A 23 -8.391 2.743 7.068 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.962 2.279 8.216 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.738 2.675 5.567 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.042 1.504 5.530 1.00 0.00 H new ATOM 344 N PRO A 24 -11.442 -0.205 8.036 1.00 0.00 N ATOM 345 CA PRO A 24 -11.621 -1.656 8.154 1.00 0.00 C ATOM 346 C PRO A 24 -11.324 -2.385 6.848 1.00 0.00 C ATOM 347 O PRO A 24 -10.440 -3.239 6.789 1.00 0.00 O ATOM 348 CB PRO A 24 -13.098 -1.807 8.525 1.00 0.00 C ATOM 349 CG PRO A 24 -13.460 -0.515 9.174 1.00 0.00 C ATOM 350 CD PRO A 24 -12.633 0.538 8.490 1.00 0.00 C ATOM 0 HA PRO A 24 -10.939 -2.090 8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.711 -1.992 7.643 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.252 -2.647 9.202 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.524 -0.308 9.064 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.250 -0.543 10.243 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.168 0.989 7.654 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.367 1.346 9.172 1.00 0.00 H new ATOM 358 N ASP A 25 -12.069 -2.041 5.801 1.00 0.00 N ATOM 359 CA ASP A 25 -11.886 -2.661 4.493 1.00 0.00 C ATOM 360 C ASP A 25 -10.417 -2.651 4.084 1.00 0.00 C ATOM 361 O ASP A 25 -9.809 -3.703 3.888 1.00 0.00 O ATOM 362 CB ASP A 25 -12.726 -1.936 3.440 1.00 0.00 C ATOM 363 CG ASP A 25 -14.078 -2.589 3.230 1.00 0.00 C ATOM 364 OD1 ASP A 25 -14.496 -3.383 4.099 1.00 0.00 O ATOM 365 OD2 ASP A 25 -14.719 -2.308 2.195 1.00 0.00 O ATOM 0 H ASP A 25 -12.805 -1.336 5.833 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.217 -3.697 4.562 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.870 -0.899 3.744 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.183 -1.919 2.495 1.00 0.00 H new ATOM 370 N LEU A 26 -9.850 -1.455 3.963 1.00 0.00 N ATOM 371 CA LEU A 26 -8.449 -1.309 3.583 1.00 0.00 C ATOM 372 C LEU A 26 -7.553 -2.146 4.489 1.00 0.00 C ATOM 373 O LEU A 26 -6.560 -2.719 4.037 1.00 0.00 O ATOM 374 CB LEU A 26 -8.033 0.162 3.643 1.00 0.00 C ATOM 375 CG LEU A 26 -6.822 0.527 2.784 1.00 0.00 C ATOM 376 CD1 LEU A 26 -5.587 -0.229 3.250 1.00 0.00 C ATOM 377 CD2 LEU A 26 -7.105 0.240 1.317 1.00 0.00 C ATOM 0 H LEU A 26 -10.338 -0.574 4.122 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.334 -1.667 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.878 0.776 3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.815 0.420 4.679 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.630 1.594 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.736 0.044 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.373 0.027 4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.765 -1.301 3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.233 0.505 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.323 -0.820 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.962 0.829 0.990 1.00 0.00 H new ATOM 389 N ARG A 27 -7.912 -2.222 5.767 1.00 0.00 N ATOM 390 CA ARG A 27 -7.148 -3.009 6.727 1.00 0.00 C ATOM 391 C ARG A 27 -7.145 -4.479 6.329 1.00 0.00 C ATOM 392 O ARG A 27 -6.186 -5.204 6.591 1.00 0.00 O ATOM 393 CB ARG A 27 -7.729 -2.847 8.133 1.00 0.00 C ATOM 394 CG ARG A 27 -6.757 -2.233 9.126 1.00 0.00 C ATOM 395 CD ARG A 27 -6.747 -2.995 10.441 1.00 0.00 C ATOM 396 NE ARG A 27 -6.035 -2.271 11.491 1.00 0.00 N ATOM 397 CZ ARG A 27 -5.906 -2.719 12.736 1.00 0.00 C ATOM 398 NH1 ARG A 27 -6.439 -3.882 13.082 1.00 0.00 N ATOM 399 NH2 ARG A 27 -5.244 -2.003 13.635 1.00 0.00 N ATOM 0 H ARG A 27 -8.726 -1.749 6.160 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.121 -2.645 6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.622 -2.224 8.079 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.044 -3.823 8.502 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.754 -2.229 8.699 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.030 -1.194 9.309 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.773 -3.179 10.760 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.280 -3.968 10.292 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.614 -1.372 11.256 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.949 -4.435 12.393 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.339 -4.225 14.038 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.833 -1.107 13.372 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.146 -2.348 14.590 1.00 0.00 H new ATOM 413 N SER A 28 -8.226 -4.908 5.686 1.00 0.00 N ATOM 414 CA SER A 28 -8.340 -6.282 5.215 1.00 0.00 C ATOM 415 C SER A 28 -7.700 -6.420 3.840 1.00 0.00 C ATOM 416 O SER A 28 -7.213 -7.488 3.470 1.00 0.00 O ATOM 417 CB SER A 28 -9.808 -6.708 5.159 1.00 0.00 C ATOM 418 OG SER A 28 -10.566 -6.065 6.170 1.00 0.00 O ATOM 0 H SER A 28 -9.036 -4.323 5.479 1.00 0.00 H new ATOM 0 HA SER A 28 -7.816 -6.934 5.915 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.223 -6.466 4.180 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.881 -7.789 5.278 1.00 0.00 H new ATOM 0 HG SER A 28 -10.711 -5.127 5.924 1.00 0.00 H new ATOM 424 N LEU A 29 -7.689 -5.318 3.093 1.00 0.00 N ATOM 425 CA LEU A 29 -7.089 -5.296 1.766 1.00 0.00 C ATOM 426 C LEU A 29 -5.615 -5.685 1.832 1.00 0.00 C ATOM 427 O LEU A 29 -5.048 -6.179 0.858 1.00 0.00 O ATOM 428 CB LEU A 29 -7.238 -3.901 1.144 1.00 0.00 C ATOM 429 CG LEU A 29 -6.974 -3.820 -0.363 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.574 -5.018 -1.085 1.00 0.00 C ATOM 431 CD2 LEU A 29 -7.532 -2.522 -0.927 1.00 0.00 C ATOM 0 H LEU A 29 -8.091 -4.428 3.387 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.609 -6.023 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.249 -3.542 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.555 -3.221 1.652 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.896 -3.835 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.373 -4.937 -2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.128 -5.935 -0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.651 -5.041 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.337 -2.478 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.607 -2.481 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.052 -1.676 -0.436 1.00 0.00 H new ATOM 443 N PHE A 30 -5.003 -5.468 2.994 1.00 0.00 N ATOM 444 CA PHE A 30 -3.599 -5.806 3.196 1.00 0.00 C ATOM 445 C PHE A 30 -3.442 -7.283 3.540 1.00 0.00 C ATOM 446 O PHE A 30 -2.768 -8.029 2.829 1.00 0.00 O ATOM 447 CB PHE A 30 -3.000 -4.951 4.314 1.00 0.00 C ATOM 448 CG PHE A 30 -2.614 -3.569 3.877 1.00 0.00 C ATOM 449 CD1 PHE A 30 -1.784 -3.380 2.783 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.077 -2.458 4.563 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.425 -2.107 2.381 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.722 -1.183 4.165 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.895 -1.008 3.072 1.00 0.00 C ATOM 0 H PHE A 30 -5.459 -5.059 3.810 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.067 -5.604 2.266 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.721 -4.877 5.128 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.120 -5.455 4.713 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.414 -4.236 2.239 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.723 -2.590 5.419 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.777 -1.972 1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.090 -0.325 4.707 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.617 -0.013 2.759 1.00 0.00 H new ATOM 463 N SER A 31 -4.069 -7.697 4.636 1.00 0.00 N ATOM 464 CA SER A 31 -3.999 -9.085 5.082 1.00 0.00 C ATOM 465 C SER A 31 -4.296 -10.045 3.934 1.00 0.00 C ATOM 466 O SER A 31 -3.800 -11.171 3.909 1.00 0.00 O ATOM 467 CB SER A 31 -4.985 -9.325 6.227 1.00 0.00 C ATOM 468 OG SER A 31 -4.701 -10.539 6.900 1.00 0.00 O ATOM 0 H SER A 31 -4.632 -7.091 5.233 1.00 0.00 H new ATOM 0 HA SER A 31 -2.985 -9.273 5.436 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.937 -8.495 6.932 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.002 -9.352 5.835 1.00 0.00 H new ATOM 0 HG SER A 31 -5.344 -10.668 7.628 1.00 0.00 H new ATOM 474 N ARG A 32 -5.108 -9.591 2.985 1.00 0.00 N ATOM 475 CA ARG A 32 -5.469 -10.408 1.833 1.00 0.00 C ATOM 476 C ARG A 32 -4.379 -10.357 0.769 1.00 0.00 C ATOM 477 O ARG A 32 -4.202 -11.303 0.002 1.00 0.00 O ATOM 478 CB ARG A 32 -6.798 -9.934 1.242 1.00 0.00 C ATOM 479 CG ARG A 32 -8.012 -10.368 2.047 1.00 0.00 C ATOM 480 CD ARG A 32 -9.291 -10.262 1.232 1.00 0.00 C ATOM 481 NE ARG A 32 -9.701 -11.552 0.685 1.00 0.00 N ATOM 482 CZ ARG A 32 -10.365 -12.468 1.383 1.00 0.00 C ATOM 483 NH1 ARG A 32 -10.689 -12.236 2.647 1.00 0.00 N ATOM 484 NH2 ARG A 32 -10.704 -13.618 0.816 1.00 0.00 N ATOM 0 H ARG A 32 -5.528 -8.662 2.991 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.576 -11.439 2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.788 -8.846 1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.891 -10.317 0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.878 -11.396 2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.097 -9.749 2.940 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.089 -9.865 1.860 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.144 -9.553 0.417 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.465 -11.762 -0.285 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.429 -11.353 3.086 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.199 -12.940 3.180 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.455 -13.800 -0.156 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.213 -14.320 1.352 1.00 0.00 H new ATOM 498 N ALA A 33 -3.647 -9.247 0.729 1.00 0.00 N ATOM 499 CA ALA A 33 -2.572 -9.077 -0.241 1.00 0.00 C ATOM 500 C ALA A 33 -1.244 -9.580 0.316 1.00 0.00 C ATOM 501 O ALA A 33 -0.339 -9.937 -0.438 1.00 0.00 O ATOM 502 CB ALA A 33 -2.457 -7.617 -0.651 1.00 0.00 C ATOM 0 H ALA A 33 -3.779 -8.454 1.356 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.814 -9.672 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.650 -7.505 -1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.395 -7.290 -1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.243 -7.008 0.227 1.00 0.00 H new ATOM 508 N GLY A 34 -1.138 -9.619 1.642 1.00 0.00 N ATOM 509 CA GLY A 34 0.078 -10.096 2.274 1.00 0.00 C ATOM 510 C GLY A 34 0.898 -8.980 2.894 1.00 0.00 C ATOM 511 O GLY A 34 2.126 -8.984 2.809 1.00 0.00 O ATOM 0 H GLY A 34 -1.872 -9.329 2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.180 -10.822 3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.685 -10.618 1.535 1.00 0.00 H new ATOM 515 N ILE A 35 0.222 -8.026 3.527 1.00 0.00 N ATOM 516 CA ILE A 35 0.903 -6.908 4.169 1.00 0.00 C ATOM 517 C ILE A 35 0.450 -6.744 5.616 1.00 0.00 C ATOM 518 O ILE A 35 -0.690 -7.057 5.959 1.00 0.00 O ATOM 519 CB ILE A 35 0.661 -5.588 3.413 1.00 0.00 C ATOM 520 CG1 ILE A 35 0.916 -5.779 1.916 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.549 -4.485 3.969 1.00 0.00 C ATOM 522 CD1 ILE A 35 0.716 -4.519 1.102 1.00 0.00 C ATOM 0 H ILE A 35 -0.795 -8.005 3.609 1.00 0.00 H new ATOM 0 HA ILE A 35 1.969 -7.137 4.149 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.379 -5.294 3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.936 -6.136 1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.250 -6.555 1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.365 -3.560 3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.324 -4.334 5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.595 -4.770 3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.914 -4.730 0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.311 -4.172 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.401 -3.747 1.453 1.00 0.00 H new ATOM 534 N SER A 36 1.355 -6.261 6.463 1.00 0.00 N ATOM 535 CA SER A 36 1.050 -6.062 7.875 1.00 0.00 C ATOM 536 C SER A 36 1.601 -4.730 8.374 1.00 0.00 C ATOM 537 O SER A 36 2.305 -4.027 7.649 1.00 0.00 O ATOM 538 CB SER A 36 1.628 -7.208 8.708 1.00 0.00 C ATOM 539 OG SER A 36 0.672 -7.703 9.629 1.00 0.00 O ATOM 0 H SER A 36 2.304 -6.001 6.196 1.00 0.00 H new ATOM 0 HA SER A 36 -0.034 -6.048 7.986 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.953 -8.013 8.049 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.510 -6.861 9.246 1.00 0.00 H new ATOM 0 HG SER A 36 1.066 -8.435 10.147 1.00 0.00 H new ATOM 545 N GLU A 37 1.280 -4.393 9.619 1.00 0.00 N ATOM 546 CA GLU A 37 1.742 -3.147 10.221 1.00 0.00 C ATOM 547 C GLU A 37 3.255 -3.000 10.078 1.00 0.00 C ATOM 548 O GLU A 37 3.780 -1.887 10.049 1.00 0.00 O ATOM 549 CB GLU A 37 1.354 -3.099 11.699 1.00 0.00 C ATOM 550 CG GLU A 37 0.967 -1.712 12.185 1.00 0.00 C ATOM 551 CD GLU A 37 1.178 -1.537 13.677 1.00 0.00 C ATOM 552 OE1 GLU A 37 1.716 -2.467 14.313 1.00 0.00 O ATOM 553 OE2 GLU A 37 0.802 -0.471 14.209 1.00 0.00 O ATOM 0 H GLU A 37 0.701 -4.967 10.232 1.00 0.00 H new ATOM 0 HA GLU A 37 1.263 -2.320 9.697 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.520 -3.780 11.869 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.189 -3.464 12.297 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.554 -0.966 11.649 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.080 -1.526 11.946 1.00 0.00 H new ATOM 560 N ALA A 38 3.947 -4.131 9.992 1.00 0.00 N ATOM 561 CA ALA A 38 5.400 -4.132 9.857 1.00 0.00 C ATOM 562 C ALA A 38 5.842 -3.341 8.632 1.00 0.00 C ATOM 563 O ALA A 38 6.768 -2.532 8.704 1.00 0.00 O ATOM 564 CB ALA A 38 5.920 -5.559 9.775 1.00 0.00 C ATOM 0 H ALA A 38 3.525 -5.059 10.013 1.00 0.00 H new ATOM 0 HA ALA A 38 5.820 -3.649 10.740 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.005 -5.546 9.674 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.646 -6.099 10.682 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.482 -6.057 8.910 1.00 0.00 H new ATOM 570 N GLN A 39 5.183 -3.589 7.506 1.00 0.00 N ATOM 571 CA GLN A 39 5.522 -2.916 6.257 1.00 0.00 C ATOM 572 C GLN A 39 4.916 -1.517 6.198 1.00 0.00 C ATOM 573 O GLN A 39 5.471 -0.618 5.567 1.00 0.00 O ATOM 574 CB GLN A 39 5.036 -3.746 5.068 1.00 0.00 C ATOM 575 CG GLN A 39 5.698 -5.111 4.972 1.00 0.00 C ATOM 576 CD GLN A 39 4.703 -6.251 5.050 1.00 0.00 C ATOM 577 OE1 GLN A 39 3.822 -6.264 5.911 1.00 0.00 O ATOM 578 NE2 GLN A 39 4.840 -7.219 4.151 1.00 0.00 N ATOM 0 H GLN A 39 4.411 -4.251 7.432 1.00 0.00 H new ATOM 0 HA GLN A 39 6.606 -2.816 6.211 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.957 -3.879 5.144 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.225 -3.194 4.148 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.248 -5.178 4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.426 -5.214 5.776 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.584 -7.167 3.456 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.201 -8.014 4.156 1.00 0.00 H new ATOM 587 N LEU A 40 3.778 -1.339 6.857 1.00 0.00 N ATOM 588 CA LEU A 40 3.099 -0.049 6.871 1.00 0.00 C ATOM 589 C LEU A 40 3.881 0.975 7.687 1.00 0.00 C ATOM 590 O LEU A 40 3.867 2.167 7.383 1.00 0.00 O ATOM 591 CB LEU A 40 1.687 -0.199 7.438 1.00 0.00 C ATOM 592 CG LEU A 40 0.824 -1.255 6.746 1.00 0.00 C ATOM 593 CD1 LEU A 40 -0.441 -1.518 7.548 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.481 -0.816 5.329 1.00 0.00 C ATOM 0 H LEU A 40 3.306 -2.071 7.388 1.00 0.00 H new ATOM 0 HA LEU A 40 3.036 0.308 5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.761 -0.448 8.497 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.180 0.764 7.372 1.00 0.00 H new ATOM 0 HG LEU A 40 1.392 -2.184 6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.043 -2.272 7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.174 -1.876 8.542 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.014 -0.595 7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.133 -1.579 4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.069 0.125 5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.399 -0.679 4.758 1.00 0.00 H new ATOM 606 N THR A 41 4.563 0.504 8.725 1.00 0.00 N ATOM 607 CA THR A 41 5.347 1.385 9.581 1.00 0.00 C ATOM 608 C THR A 41 6.540 1.960 8.826 1.00 0.00 C ATOM 609 O THR A 41 6.842 3.148 8.935 1.00 0.00 O ATOM 610 CB THR A 41 5.831 0.630 10.821 1.00 0.00 C ATOM 611 OG1 THR A 41 6.448 -0.593 10.454 1.00 0.00 O ATOM 612 CG2 THR A 41 4.721 0.309 11.798 1.00 0.00 C ATOM 0 H THR A 41 4.589 -0.480 8.993 1.00 0.00 H new ATOM 0 HA THR A 41 4.706 2.209 9.893 1.00 0.00 H new ATOM 0 HB THR A 41 6.539 1.300 11.309 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.760 -1.277 10.312 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.133 -0.226 12.654 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.257 1.235 12.138 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.973 -0.313 11.307 1.00 0.00 H new ATOM 620 N ASP A 42 7.215 1.111 8.058 1.00 0.00 N ATOM 621 CA ASP A 42 8.376 1.536 7.285 1.00 0.00 C ATOM 622 C ASP A 42 8.011 2.674 6.336 1.00 0.00 C ATOM 623 O ASP A 42 7.038 2.584 5.588 1.00 0.00 O ATOM 624 CB ASP A 42 8.946 0.359 6.492 1.00 0.00 C ATOM 625 CG ASP A 42 10.446 0.219 6.662 1.00 0.00 C ATOM 626 OD1 ASP A 42 11.077 1.170 7.172 1.00 0.00 O ATOM 627 OD2 ASP A 42 10.990 -0.840 6.287 1.00 0.00 O ATOM 0 H ASP A 42 6.978 0.124 7.954 1.00 0.00 H new ATOM 0 HA ASP A 42 9.133 1.896 7.982 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.459 -0.562 6.814 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.714 0.490 5.435 1.00 0.00 H new ATOM 632 N ALA A 43 8.798 3.745 6.374 1.00 0.00 N ATOM 633 CA ALA A 43 8.557 4.901 5.518 1.00 0.00 C ATOM 634 C ALA A 43 8.941 4.603 4.072 1.00 0.00 C ATOM 635 O ALA A 43 8.234 4.988 3.141 1.00 0.00 O ATOM 636 CB ALA A 43 9.326 6.109 6.033 1.00 0.00 C ATOM 0 H ALA A 43 9.607 3.836 6.988 1.00 0.00 H new ATOM 0 HA ALA A 43 7.491 5.125 5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.137 6.964 5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.000 6.343 7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.393 5.886 6.037 1.00 0.00 H new ATOM 642 N GLU A 44 10.066 3.920 3.893 1.00 0.00 N ATOM 643 CA GLU A 44 10.546 3.573 2.560 1.00 0.00 C ATOM 644 C GLU A 44 9.587 2.606 1.872 1.00 0.00 C ATOM 645 O GLU A 44 9.402 2.660 0.656 1.00 0.00 O ATOM 646 CB GLU A 44 11.941 2.952 2.643 1.00 0.00 C ATOM 647 CG GLU A 44 12.730 3.047 1.346 1.00 0.00 C ATOM 648 CD GLU A 44 12.781 1.729 0.598 1.00 0.00 C ATOM 649 OE1 GLU A 44 11.860 1.466 -0.204 1.00 0.00 O ATOM 650 OE2 GLU A 44 13.741 0.961 0.814 1.00 0.00 O ATOM 0 H GLU A 44 10.663 3.596 4.654 1.00 0.00 H new ATOM 0 HA GLU A 44 10.598 4.488 1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.502 3.445 3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.846 1.903 2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.281 3.807 0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.746 3.376 1.566 1.00 0.00 H new ATOM 657 N THR A 45 8.979 1.723 2.658 1.00 0.00 N ATOM 658 CA THR A 45 8.040 0.742 2.127 1.00 0.00 C ATOM 659 C THR A 45 6.679 1.377 1.856 1.00 0.00 C ATOM 660 O THR A 45 6.070 1.141 0.815 1.00 0.00 O ATOM 661 CB THR A 45 7.886 -0.426 3.104 1.00 0.00 C ATOM 662 OG1 THR A 45 9.149 -0.838 3.594 1.00 0.00 O ATOM 663 CG2 THR A 45 7.211 -1.636 2.495 1.00 0.00 C ATOM 0 H THR A 45 9.120 1.667 3.667 1.00 0.00 H new ATOM 0 HA THR A 45 8.439 0.369 1.183 1.00 0.00 H new ATOM 0 HB THR A 45 7.254 -0.048 3.907 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.030 -1.584 4.218 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.135 -2.425 3.243 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.213 -1.362 2.153 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.799 -1.993 1.649 1.00 0.00 H new ATOM 671 N SER A 46 6.208 2.182 2.801 1.00 0.00 N ATOM 672 CA SER A 46 4.916 2.844 2.665 1.00 0.00 C ATOM 673 C SER A 46 4.829 3.614 1.351 1.00 0.00 C ATOM 674 O SER A 46 3.765 3.697 0.738 1.00 0.00 O ATOM 675 CB SER A 46 4.682 3.794 3.842 1.00 0.00 C ATOM 676 OG SER A 46 5.781 4.671 4.017 1.00 0.00 O ATOM 0 H SER A 46 6.701 2.392 3.669 1.00 0.00 H new ATOM 0 HA SER A 46 4.143 2.076 2.664 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.775 4.373 3.671 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.525 3.217 4.753 1.00 0.00 H new ATOM 0 HG SER A 46 6.491 4.436 3.383 1.00 0.00 H new ATOM 682 N LYS A 47 5.954 4.175 0.924 1.00 0.00 N ATOM 683 CA LYS A 47 6.001 4.945 -0.313 1.00 0.00 C ATOM 684 C LYS A 47 5.659 4.075 -1.518 1.00 0.00 C ATOM 685 O LYS A 47 4.722 4.368 -2.259 1.00 0.00 O ATOM 686 CB LYS A 47 7.386 5.567 -0.495 1.00 0.00 C ATOM 687 CG LYS A 47 7.345 6.997 -1.009 1.00 0.00 C ATOM 688 CD LYS A 47 8.734 7.613 -1.060 1.00 0.00 C ATOM 689 CE LYS A 47 8.667 9.115 -1.279 1.00 0.00 C ATOM 690 NZ LYS A 47 9.995 9.686 -1.636 1.00 0.00 N ATOM 0 H LYS A 47 6.845 4.111 1.416 1.00 0.00 H new ATOM 0 HA LYS A 47 5.257 5.738 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.913 5.547 0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.962 4.956 -1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.902 7.014 -2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.703 7.598 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.261 7.403 -0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.309 7.152 -1.863 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.953 9.334 -2.073 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.296 9.597 -0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.905 10.712 -1.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.671 9.500 -0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.338 9.245 -2.513 1.00 0.00 H new ATOM 704 N LEU A 48 6.421 3.001 -1.709 1.00 0.00 N ATOM 705 CA LEU A 48 6.194 2.098 -2.832 1.00 0.00 C ATOM 706 C LEU A 48 4.777 1.531 -2.793 1.00 0.00 C ATOM 707 O LEU A 48 4.189 1.229 -3.831 1.00 0.00 O ATOM 708 CB LEU A 48 7.231 0.965 -2.829 1.00 0.00 C ATOM 709 CG LEU A 48 6.898 -0.241 -1.943 1.00 0.00 C ATOM 710 CD1 LEU A 48 6.027 -1.231 -2.700 1.00 0.00 C ATOM 711 CD2 LEU A 48 8.171 -0.912 -1.453 1.00 0.00 C ATOM 0 H LEU A 48 7.198 2.736 -1.103 1.00 0.00 H new ATOM 0 HA LEU A 48 6.307 2.666 -3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.362 0.615 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.188 1.375 -2.508 1.00 0.00 H new ATOM 0 HG LEU A 48 6.342 0.112 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.800 -2.081 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.099 -0.744 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.557 -1.578 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.914 -1.766 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.755 -1.253 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.758 -0.200 -0.873 1.00 0.00 H new ATOM 723 N ILE A 49 4.235 1.393 -1.587 1.00 0.00 N ATOM 724 CA ILE A 49 2.886 0.869 -1.406 1.00 0.00 C ATOM 725 C ILE A 49 1.842 1.947 -1.665 1.00 0.00 C ATOM 726 O ILE A 49 0.730 1.647 -2.103 1.00 0.00 O ATOM 727 CB ILE A 49 2.684 0.304 0.015 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.704 -0.798 0.301 1.00 0.00 C ATOM 729 CG2 ILE A 49 1.267 -0.228 0.183 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.650 -1.312 1.724 1.00 0.00 C ATOM 0 H ILE A 49 4.711 1.638 -0.719 1.00 0.00 H new ATOM 0 HA ILE A 49 2.761 0.062 -2.128 1.00 0.00 H new ATOM 0 HB ILE A 49 2.836 1.112 0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.533 -1.628 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.705 -0.418 0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.144 -0.622 1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.553 0.580 0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.088 -1.022 -0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.400 -2.092 1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.851 -0.493 2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.660 -1.722 1.925 1.00 0.00 H new ATOM 742 N TYR A 50 2.192 3.202 -1.396 1.00 0.00 N ATOM 743 CA TYR A 50 1.246 4.290 -1.587 1.00 0.00 C ATOM 744 C TYR A 50 0.864 4.417 -3.060 1.00 0.00 C ATOM 745 O TYR A 50 -0.221 4.900 -3.385 1.00 0.00 O ATOM 746 CB TYR A 50 1.785 5.617 -0.984 1.00 0.00 C ATOM 747 CG TYR A 50 1.887 6.791 -1.943 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.799 6.780 -2.991 1.00 0.00 C ATOM 749 CD2 TYR A 50 1.066 7.903 -1.798 1.00 0.00 C ATOM 750 CE1 TYR A 50 2.892 7.846 -3.866 1.00 0.00 C ATOM 751 CE2 TYR A 50 1.154 8.973 -2.669 1.00 0.00 C ATOM 752 CZ TYR A 50 2.068 8.939 -3.700 1.00 0.00 C ATOM 753 OH TYR A 50 2.159 10.002 -4.570 1.00 0.00 O ATOM 0 H TYR A 50 3.109 3.485 -1.051 1.00 0.00 H new ATOM 0 HA TYR A 50 0.331 4.059 -1.042 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.138 5.905 -0.155 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.774 5.428 -0.566 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.445 5.925 -3.124 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.348 7.932 -0.992 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.606 7.823 -4.676 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.510 9.831 -2.542 1.00 0.00 H new ATOM 0 HH TYR A 50 1.509 10.690 -4.315 1.00 0.00 H new ATOM 763 N ASP A 51 1.726 3.929 -3.940 1.00 0.00 N ATOM 764 CA ASP A 51 1.413 3.913 -5.358 1.00 0.00 C ATOM 765 C ASP A 51 0.160 3.073 -5.606 1.00 0.00 C ATOM 766 O ASP A 51 -0.482 3.190 -6.651 1.00 0.00 O ATOM 767 CB ASP A 51 2.591 3.353 -6.160 1.00 0.00 C ATOM 768 CG ASP A 51 2.578 3.812 -7.605 1.00 0.00 C ATOM 769 OD1 ASP A 51 1.491 4.171 -8.104 1.00 0.00 O ATOM 770 OD2 ASP A 51 3.655 3.811 -8.238 1.00 0.00 O ATOM 0 H ASP A 51 2.639 3.543 -3.699 1.00 0.00 H new ATOM 0 HA ASP A 51 1.226 4.935 -5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.525 3.663 -5.692 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.564 2.264 -6.128 1.00 0.00 H new ATOM 775 N PHE A 52 -0.193 2.236 -4.625 1.00 0.00 N ATOM 776 CA PHE A 52 -1.356 1.369 -4.732 1.00 0.00 C ATOM 777 C PHE A 52 -2.630 2.072 -4.252 1.00 0.00 C ATOM 778 O PHE A 52 -3.600 2.179 -5.000 1.00 0.00 O ATOM 779 CB PHE A 52 -1.119 0.086 -3.932 1.00 0.00 C ATOM 780 CG PHE A 52 -2.267 -0.880 -3.984 1.00 0.00 C ATOM 781 CD1 PHE A 52 -3.334 -0.758 -3.111 1.00 0.00 C ATOM 782 CD2 PHE A 52 -2.276 -1.911 -4.910 1.00 0.00 C ATOM 783 CE1 PHE A 52 -4.391 -1.647 -3.159 1.00 0.00 C ATOM 784 CE2 PHE A 52 -3.330 -2.804 -4.963 1.00 0.00 C ATOM 785 CZ PHE A 52 -4.389 -2.671 -4.087 1.00 0.00 C ATOM 0 H PHE A 52 0.317 2.145 -3.746 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.498 1.119 -5.783 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.224 -0.407 -4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.923 0.348 -2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.341 0.041 -2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.450 -2.018 -5.598 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.218 -1.542 -2.472 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.325 -3.604 -5.688 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.215 -3.366 -4.127 1.00 0.00 H new ATOM 795 N ILE A 53 -2.635 2.545 -3.002 1.00 0.00 N ATOM 796 CA ILE A 53 -3.806 3.247 -2.469 1.00 0.00 C ATOM 797 C ILE A 53 -3.952 4.628 -3.112 1.00 0.00 C ATOM 798 O ILE A 53 -5.031 5.220 -3.089 1.00 0.00 O ATOM 799 CB ILE A 53 -3.834 3.341 -0.913 1.00 0.00 C ATOM 800 CG1 ILE A 53 -3.168 2.114 -0.285 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.274 3.457 -0.430 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.153 2.150 1.226 1.00 0.00 C ATOM 0 H ILE A 53 -1.856 2.457 -2.350 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.669 2.638 -2.739 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.278 4.228 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.691 1.216 -0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.144 2.038 -0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.289 3.522 0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.729 4.352 -0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.836 2.579 -0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.667 1.252 1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.605 3.030 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.176 2.195 1.599 1.00 0.00 H new ATOM 814 N GLU A 54 -2.868 5.125 -3.710 1.00 0.00 N ATOM 815 CA GLU A 54 -2.890 6.422 -4.383 1.00 0.00 C ATOM 816 C GLU A 54 -3.418 6.302 -5.811 1.00 0.00 C ATOM 817 O GLU A 54 -3.860 7.287 -6.403 1.00 0.00 O ATOM 818 CB GLU A 54 -1.486 7.029 -4.410 1.00 0.00 C ATOM 819 CG GLU A 54 -1.414 8.366 -5.129 1.00 0.00 C ATOM 820 CD GLU A 54 -0.686 8.276 -6.456 1.00 0.00 C ATOM 821 OE1 GLU A 54 0.500 7.885 -6.456 1.00 0.00 O ATOM 822 OE2 GLU A 54 -1.303 8.593 -7.494 1.00 0.00 O ATOM 0 H GLU A 54 -1.966 4.649 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.560 7.072 -3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.135 7.157 -3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.806 6.328 -4.894 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.424 8.738 -5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.909 9.091 -4.490 1.00 0.00 H new ATOM 829 N ASP A 55 -3.337 5.099 -6.374 1.00 0.00 N ATOM 830 CA ASP A 55 -3.757 4.868 -7.754 1.00 0.00 C ATOM 831 C ASP A 55 -5.237 4.506 -7.849 1.00 0.00 C ATOM 832 O ASP A 55 -5.958 5.031 -8.697 1.00 0.00 O ATOM 833 CB ASP A 55 -2.915 3.756 -8.379 1.00 0.00 C ATOM 834 CG ASP A 55 -3.297 3.481 -9.821 1.00 0.00 C ATOM 835 OD1 ASP A 55 -4.491 3.226 -10.079 1.00 0.00 O ATOM 836 OD2 ASP A 55 -2.401 3.522 -10.690 1.00 0.00 O ATOM 0 H ASP A 55 -2.985 4.269 -5.896 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.606 5.799 -8.300 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.861 4.032 -8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.032 2.843 -7.795 1.00 0.00 H new ATOM 841 N GLN A 56 -5.680 3.591 -6.995 1.00 0.00 N ATOM 842 CA GLN A 56 -7.069 3.144 -7.011 1.00 0.00 C ATOM 843 C GLN A 56 -8.034 4.318 -6.862 1.00 0.00 C ATOM 844 O GLN A 56 -9.209 4.213 -7.215 1.00 0.00 O ATOM 845 CB GLN A 56 -7.312 2.126 -5.895 1.00 0.00 C ATOM 846 CG GLN A 56 -6.837 0.723 -6.237 1.00 0.00 C ATOM 847 CD GLN A 56 -5.493 0.395 -5.619 1.00 0.00 C ATOM 848 OE1 GLN A 56 -5.300 0.536 -4.413 1.00 0.00 O ATOM 849 NE2 GLN A 56 -4.552 -0.042 -6.448 1.00 0.00 N ATOM 0 H GLN A 56 -5.100 3.145 -6.284 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.254 2.672 -7.976 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.804 2.462 -4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -8.378 2.095 -5.669 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.577 -0.000 -5.894 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.769 0.620 -7.320 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.756 -0.144 -7.442 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.626 -0.275 -6.090 1.00 0.00 H new ATOM 858 N GLY A 57 -7.532 5.436 -6.350 1.00 0.00 N ATOM 859 CA GLY A 57 -8.369 6.604 -6.160 1.00 0.00 C ATOM 860 C GLY A 57 -8.387 7.060 -4.719 1.00 0.00 C ATOM 861 O GLY A 57 -8.507 8.251 -4.435 1.00 0.00 O ATOM 0 H GLY A 57 -6.560 5.554 -6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.008 7.415 -6.792 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.386 6.377 -6.481 1.00 0.00 H new ATOM 865 N GLY A 58 -8.262 6.104 -3.806 1.00 0.00 N ATOM 866 CA GLY A 58 -8.257 6.426 -2.396 1.00 0.00 C ATOM 867 C GLY A 58 -8.511 5.220 -1.522 1.00 0.00 C ATOM 868 O GLY A 58 -9.170 4.270 -1.935 1.00 0.00 O ATOM 0 H GLY A 58 -8.164 5.111 -4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.295 6.866 -2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.018 7.181 -2.197 1.00 0.00 H new ATOM 872 N LEU A 59 -7.975 5.261 -0.312 1.00 0.00 N ATOM 873 CA LEU A 59 -8.129 4.174 0.642 1.00 0.00 C ATOM 874 C LEU A 59 -9.602 3.964 0.990 1.00 0.00 C ATOM 875 O LEU A 59 -10.142 2.871 0.818 1.00 0.00 O ATOM 876 CB LEU A 59 -7.324 4.534 1.888 1.00 0.00 C ATOM 877 CG LEU A 59 -7.822 3.963 3.216 1.00 0.00 C ATOM 878 CD1 LEU A 59 -6.658 3.731 4.167 1.00 0.00 C ATOM 879 CD2 LEU A 59 -8.841 4.911 3.830 1.00 0.00 C ATOM 0 H LEU A 59 -7.423 6.045 0.035 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.764 3.241 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.297 4.200 1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.297 5.620 1.973 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.302 3.001 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.031 3.324 5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.958 3.026 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.150 4.676 4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.195 4.502 4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.376 5.881 4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.684 5.030 3.149 1.00 0.00 H new ATOM 891 N GLU A 60 -10.254 5.031 1.443 1.00 0.00 N ATOM 892 CA GLU A 60 -11.679 4.978 1.736 1.00 0.00 C ATOM 893 C GLU A 60 -12.441 4.933 0.423 1.00 0.00 C ATOM 894 O GLU A 60 -13.496 4.308 0.312 1.00 0.00 O ATOM 895 CB GLU A 60 -12.111 6.191 2.564 1.00 0.00 C ATOM 896 CG GLU A 60 -11.772 7.525 1.917 1.00 0.00 C ATOM 897 CD GLU A 60 -12.927 8.506 1.967 1.00 0.00 C ATOM 898 OE1 GLU A 60 -13.300 8.929 3.082 1.00 0.00 O ATOM 899 OE2 GLU A 60 -13.459 8.852 0.891 1.00 0.00 O ATOM 0 H GLU A 60 -9.819 5.938 1.614 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.897 4.085 2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.187 6.141 2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.634 6.140 3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.908 7.960 2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.486 7.359 0.879 1.00 0.00 H new ATOM 906 N ALA A 61 -11.854 5.570 -0.582 1.00 0.00 N ATOM 907 CA ALA A 61 -12.391 5.574 -1.923 1.00 0.00 C ATOM 908 C ALA A 61 -12.405 4.153 -2.485 1.00 0.00 C ATOM 909 O ALA A 61 -13.238 3.809 -3.324 1.00 0.00 O ATOM 910 CB ALA A 61 -11.552 6.504 -2.786 1.00 0.00 C ATOM 0 H ALA A 61 -10.988 6.099 -0.482 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.419 5.935 -1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.949 6.515 -3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.585 7.512 -2.373 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.520 6.152 -2.803 1.00 0.00 H new ATOM 916 N VAL A 62 -11.495 3.319 -1.976 1.00 0.00 N ATOM 917 CA VAL A 62 -11.419 1.916 -2.367 1.00 0.00 C ATOM 918 C VAL A 62 -12.497 1.126 -1.630 1.00 0.00 C ATOM 919 O VAL A 62 -13.159 0.263 -2.209 1.00 0.00 O ATOM 920 CB VAL A 62 -10.013 1.326 -2.065 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.012 -0.202 -2.076 1.00 0.00 C ATOM 922 CG2 VAL A 62 -8.995 1.861 -3.060 1.00 0.00 C ATOM 0 H VAL A 62 -10.797 3.598 -1.287 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.585 1.842 -3.442 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.737 1.642 -1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.008 -0.567 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.703 -0.572 -1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.324 -0.559 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.014 1.441 -2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.291 1.579 -4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.950 2.947 -2.985 1.00 0.00 H new ATOM 932 N ARG A 63 -12.676 1.444 -0.352 1.00 0.00 N ATOM 933 CA ARG A 63 -13.689 0.793 0.463 1.00 0.00 C ATOM 934 C ARG A 63 -15.042 0.843 -0.235 1.00 0.00 C ATOM 935 O ARG A 63 -15.843 -0.085 -0.130 1.00 0.00 O ATOM 936 CB ARG A 63 -13.779 1.471 1.830 1.00 0.00 C ATOM 937 CG ARG A 63 -14.784 0.825 2.767 1.00 0.00 C ATOM 938 CD ARG A 63 -14.808 1.517 4.120 1.00 0.00 C ATOM 939 NE ARG A 63 -15.306 2.887 4.023 1.00 0.00 N ATOM 940 CZ ARG A 63 -15.574 3.649 5.077 1.00 0.00 C ATOM 941 NH1 ARG A 63 -15.392 3.179 6.303 1.00 0.00 N ATOM 942 NH2 ARG A 63 -16.023 4.885 4.907 1.00 0.00 N ATOM 0 H ARG A 63 -12.130 2.151 0.140 1.00 0.00 H new ATOM 0 HA ARG A 63 -13.406 -0.250 0.603 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -12.795 1.454 2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -14.048 2.518 1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.777 0.864 2.320 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -14.535 -0.228 2.900 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -15.437 0.950 4.807 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.803 1.525 4.541 1.00 0.00 H new ATOM 0 HE ARG A 63 -15.456 3.280 3.094 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.045 2.229 6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.599 3.767 7.110 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -16.163 5.252 3.966 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -16.228 5.469 5.718 1.00 0.00 H new ATOM 956 N GLN A 64 -15.277 1.928 -0.966 1.00 0.00 N ATOM 957 CA GLN A 64 -16.522 2.091 -1.707 1.00 0.00 C ATOM 958 C GLN A 64 -16.602 1.082 -2.847 1.00 0.00 C ATOM 959 O GLN A 64 -17.681 0.605 -3.195 1.00 0.00 O ATOM 960 CB GLN A 64 -16.629 3.514 -2.261 1.00 0.00 C ATOM 961 CG GLN A 64 -17.021 4.545 -1.216 1.00 0.00 C ATOM 962 CD GLN A 64 -16.245 5.839 -1.354 1.00 0.00 C ATOM 963 OE1 GLN A 64 -16.184 6.428 -2.433 1.00 0.00 O ATOM 964 NE2 GLN A 64 -15.646 6.289 -0.258 1.00 0.00 N ATOM 0 H GLN A 64 -14.623 2.705 -1.061 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.353 1.914 -1.024 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.672 3.798 -2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.364 3.527 -3.066 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -18.087 4.755 -1.300 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -16.855 4.130 -0.222 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.723 5.768 0.616 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.109 7.155 -0.290 1.00 0.00 H new ATOM 973 N GLU A 65 -15.446 0.757 -3.419 1.00 0.00 N ATOM 974 CA GLU A 65 -15.375 -0.202 -4.515 1.00 0.00 C ATOM 975 C GLU A 65 -15.458 -1.631 -3.988 1.00 0.00 C ATOM 976 O GLU A 65 -16.049 -2.504 -4.623 1.00 0.00 O ATOM 977 CB GLU A 65 -14.075 -0.008 -5.301 1.00 0.00 C ATOM 978 CG GLU A 65 -13.822 -1.086 -6.343 1.00 0.00 C ATOM 979 CD GLU A 65 -13.435 -0.511 -7.692 1.00 0.00 C ATOM 980 OE1 GLU A 65 -14.312 0.071 -8.363 1.00 0.00 O ATOM 981 OE2 GLU A 65 -12.254 -0.643 -8.076 1.00 0.00 O ATOM 0 H GLU A 65 -14.545 1.145 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.222 -0.029 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -14.102 0.963 -5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.239 0.013 -4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.029 -1.747 -5.992 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -14.719 -1.696 -6.455 1.00 0.00 H new ATOM 988 N MET A 66 -14.864 -1.860 -2.822 1.00 0.00 N ATOM 989 CA MET A 66 -14.870 -3.182 -2.205 1.00 0.00 C ATOM 990 C MET A 66 -16.297 -3.687 -2.016 1.00 0.00 C ATOM 991 O MET A 66 -16.550 -4.891 -2.058 1.00 0.00 O ATOM 992 CB MET A 66 -14.151 -3.138 -0.857 1.00 0.00 C ATOM 993 CG MET A 66 -12.806 -3.845 -0.862 1.00 0.00 C ATOM 994 SD MET A 66 -12.520 -4.804 0.638 1.00 0.00 S ATOM 995 CE MET A 66 -11.411 -6.069 0.023 1.00 0.00 C ATOM 0 H MET A 66 -14.372 -1.147 -2.284 1.00 0.00 H new ATOM 0 HA MET A 66 -14.345 -3.869 -2.869 1.00 0.00 H new ATOM 0 HB2 MET A 66 -14.004 -2.098 -0.567 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.789 -3.593 -0.099 1.00 0.00 H new ATOM 0 HG2 MET A 66 -12.750 -4.506 -1.727 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.012 -3.106 -0.973 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.972 -6.985 -0.163 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.951 -5.730 -0.905 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.634 -6.263 0.763 1.00 0.00 H new ATOM 1005 N ARG A 67 -17.223 -2.758 -1.809 1.00 0.00 N ATOM 1006 CA ARG A 67 -18.625 -3.107 -1.614 1.00 0.00 C ATOM 1007 C ARG A 67 -19.184 -3.819 -2.842 1.00 0.00 C ATOM 1008 O ARG A 67 -20.035 -4.700 -2.727 1.00 0.00 O ATOM 1009 CB ARG A 67 -19.448 -1.852 -1.319 1.00 0.00 C ATOM 1010 CG ARG A 67 -19.985 -1.796 0.102 1.00 0.00 C ATOM 1011 CD ARG A 67 -20.885 -2.983 0.406 1.00 0.00 C ATOM 1012 NE ARG A 67 -22.193 -2.566 0.904 1.00 0.00 N ATOM 1013 CZ ARG A 67 -23.184 -2.160 0.117 1.00 0.00 C ATOM 1014 NH1 ARG A 67 -23.015 -2.119 -1.197 1.00 0.00 N ATOM 1015 NH2 ARG A 67 -24.345 -1.797 0.644 1.00 0.00 N ATOM 0 H ARG A 67 -17.028 -1.757 -1.772 1.00 0.00 H new ATOM 0 HA ARG A 67 -18.690 -3.784 -0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -18.831 -0.972 -1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -20.284 -1.804 -2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -19.153 -1.780 0.806 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -20.542 -0.870 0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -21.015 -3.580 -0.497 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -20.403 -3.623 1.145 1.00 0.00 H new ATOM 0 HE ARG A 67 -22.355 -2.588 1.911 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -22.123 -2.399 -1.606 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -23.777 -1.807 -1.800 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -24.479 -1.829 1.655 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -25.105 -1.486 0.039 1.00 0.00 H new ATOM 1029 N ARG A 68 -18.697 -3.432 -4.016 1.00 0.00 N ATOM 1030 CA ARG A 68 -19.144 -4.035 -5.267 1.00 0.00 C ATOM 1031 C ARG A 68 -18.137 -3.788 -6.382 1.00 0.00 C ATOM 1032 O ARG A 68 -18.402 -3.031 -7.316 1.00 0.00 O ATOM 1033 CB ARG A 68 -20.511 -3.476 -5.667 1.00 0.00 C ATOM 1034 CG ARG A 68 -21.663 -4.424 -5.379 1.00 0.00 C ATOM 1035 CD ARG A 68 -22.918 -3.668 -4.975 1.00 0.00 C ATOM 1036 NE ARG A 68 -24.010 -3.878 -5.920 1.00 0.00 N ATOM 1037 CZ ARG A 68 -25.290 -3.672 -5.625 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -25.633 -3.253 -4.414 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -26.225 -3.885 -6.539 1.00 0.00 N ATOM 0 H ARG A 68 -17.992 -2.703 -4.128 1.00 0.00 H new ATOM 0 HA ARG A 68 -19.229 -5.110 -5.111 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -20.681 -2.539 -5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.501 -3.242 -6.732 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.869 -5.027 -6.263 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -21.379 -5.112 -4.583 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -23.231 -3.990 -3.982 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -22.695 -2.603 -4.910 1.00 0.00 H new ATOM 0 HE ARG A 68 -23.778 -4.201 -6.859 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -24.915 -3.089 -3.709 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -26.615 -3.095 -4.188 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -25.963 -4.208 -7.471 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -27.206 -3.727 -6.311 1.00 0.00 H new ATOM 1053 N GLN A 69 -16.978 -4.430 -6.280 1.00 0.00 N ATOM 1054 CA GLN A 69 -15.931 -4.281 -7.283 1.00 0.00 C ATOM 1055 C GLN A 69 -16.452 -4.644 -8.669 1.00 0.00 C ATOM 1056 O GLN A 69 -15.935 -4.171 -9.681 1.00 0.00 O ATOM 1057 CB GLN A 69 -14.730 -5.158 -6.931 1.00 0.00 C ATOM 1058 CG GLN A 69 -15.100 -6.594 -6.597 1.00 0.00 C ATOM 1059 CD GLN A 69 -14.163 -7.601 -7.236 1.00 0.00 C ATOM 1060 OE1 GLN A 69 -14.144 -7.760 -8.456 1.00 0.00 O ATOM 1061 NE2 GLN A 69 -13.379 -8.285 -6.411 1.00 0.00 N ATOM 0 H GLN A 69 -16.740 -5.059 -5.513 1.00 0.00 H new ATOM 0 HA GLN A 69 -15.618 -3.237 -7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -14.033 -5.157 -7.769 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -14.208 -4.719 -6.081 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.087 -6.727 -5.515 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.119 -6.790 -6.930 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.429 -8.120 -5.406 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.727 -8.976 -6.783 1.00 0.00 H new ATOM 1070 N GLY A 70 -17.477 -5.489 -8.708 1.00 0.00 N ATOM 1071 CA GLY A 70 -18.052 -5.901 -9.974 1.00 0.00 C ATOM 1072 C GLY A 70 -19.151 -6.931 -9.805 1.00 0.00 C ATOM 1073 O GLY A 70 -19.740 -7.050 -8.730 1.00 0.00 O ATOM 0 H GLY A 70 -17.920 -5.896 -7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.453 -5.028 -10.488 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.267 -6.313 -10.609 1.00 0.00 H new ATOM 1077 N GLY A 71 -19.427 -7.679 -10.868 1.00 0.00 N ATOM 1078 CA GLY A 71 -20.462 -8.695 -10.813 1.00 0.00 C ATOM 1079 C GLY A 71 -20.009 -10.018 -11.396 1.00 0.00 C ATOM 1080 O GLY A 71 -19.217 -10.736 -10.785 1.00 0.00 O ATOM 0 H GLY A 71 -18.952 -7.600 -11.767 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -20.766 -8.843 -9.777 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -21.340 -8.344 -11.356 1.00 0.00 H new ATOM 1084 N SER A 72 -20.511 -10.343 -12.584 1.00 0.00 N ATOM 1085 CA SER A 72 -20.152 -11.589 -13.252 1.00 0.00 C ATOM 1086 C SER A 72 -20.105 -11.400 -14.765 1.00 0.00 C ATOM 1087 O SER A 72 -20.460 -10.342 -15.281 1.00 0.00 O ATOM 1088 CB SER A 72 -21.153 -12.690 -12.896 1.00 0.00 C ATOM 1089 OG SER A 72 -21.030 -13.795 -13.775 1.00 0.00 O ATOM 0 H SER A 72 -21.168 -9.760 -13.103 1.00 0.00 H new ATOM 0 HA SER A 72 -19.160 -11.884 -12.909 1.00 0.00 H new ATOM 0 HB2 SER A 72 -20.988 -13.018 -11.870 1.00 0.00 H new ATOM 0 HB3 SER A 72 -22.167 -12.293 -12.945 1.00 0.00 H new ATOM 0 HG SER A 72 -21.679 -14.485 -13.525 1.00 0.00 H new ATOM 1095 N GLY A 73 -19.666 -12.438 -15.470 1.00 0.00 N ATOM 1096 CA GLY A 73 -19.584 -12.368 -16.917 1.00 0.00 C ATOM 1097 C GLY A 73 -18.180 -12.619 -17.431 1.00 0.00 C ATOM 1098 O GLY A 73 -17.996 -13.069 -18.562 1.00 0.00 O ATOM 0 H GLY A 73 -19.366 -13.325 -15.066 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -20.263 -13.101 -17.352 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -19.919 -11.386 -17.250 1.00 0.00 H new ATOM 1102 N GLY A 74 -17.185 -12.328 -16.597 1.00 0.00 N ATOM 1103 CA GLY A 74 -15.804 -12.529 -16.991 1.00 0.00 C ATOM 1104 C GLY A 74 -14.939 -13.017 -15.844 1.00 0.00 C ATOM 1105 O GLY A 74 -14.173 -13.969 -15.996 1.00 0.00 O ATOM 0 H GLY A 74 -17.312 -11.957 -15.656 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.763 -13.252 -17.806 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.399 -11.593 -17.375 1.00 0.00 H new ATOM 1109 N SER A 75 -15.063 -12.364 -14.693 1.00 0.00 N ATOM 1110 CA SER A 75 -14.286 -12.734 -13.517 1.00 0.00 C ATOM 1111 C SER A 75 -15.193 -12.945 -12.309 1.00 0.00 C ATOM 1112 O SER A 75 -16.091 -12.143 -12.048 1.00 0.00 O ATOM 1113 CB SER A 75 -13.247 -11.656 -13.205 1.00 0.00 C ATOM 1114 OG SER A 75 -11.970 -12.019 -13.702 1.00 0.00 O ATOM 0 H SER A 75 -15.695 -11.576 -14.550 1.00 0.00 H new ATOM 0 HA SER A 75 -13.774 -13.671 -13.733 1.00 0.00 H new ATOM 0 HB2 SER A 75 -13.557 -10.709 -13.647 1.00 0.00 H new ATOM 0 HB3 SER A 75 -13.191 -11.502 -12.127 1.00 0.00 H new ATOM 0 HG SER A 75 -11.324 -11.313 -13.491 1.00 0.00 H new ATOM 1120 N GLN A 76 -14.953 -14.025 -11.575 1.00 0.00 N ATOM 1121 CA GLN A 76 -15.751 -14.341 -10.395 1.00 0.00 C ATOM 1122 C GLN A 76 -14.880 -14.396 -9.145 1.00 0.00 C ATOM 1123 O GLN A 76 -15.005 -15.308 -8.329 1.00 0.00 O ATOM 1124 CB GLN A 76 -16.474 -15.676 -10.586 1.00 0.00 C ATOM 1125 CG GLN A 76 -17.658 -15.596 -11.535 1.00 0.00 C ATOM 1126 CD GLN A 76 -17.619 -16.666 -12.609 1.00 0.00 C ATOM 1127 OE1 GLN A 76 -18.105 -17.779 -12.410 1.00 0.00 O ATOM 1128 NE2 GLN A 76 -17.037 -16.333 -13.756 1.00 0.00 N ATOM 0 H GLN A 76 -14.212 -14.697 -11.776 1.00 0.00 H new ATOM 0 HA GLN A 76 -16.489 -13.550 -10.265 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.765 -16.413 -10.964 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -16.820 -16.034 -9.616 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -18.582 -15.692 -10.965 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -17.675 -14.614 -12.007 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -16.647 -15.398 -13.878 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.980 -17.012 -14.515 1.00 0.00 H new ATOM 1137 N SER A 77 -13.998 -13.412 -9.001 1.00 0.00 N ATOM 1138 CA SER A 77 -13.106 -13.348 -7.848 1.00 0.00 C ATOM 1139 C SER A 77 -13.414 -12.127 -6.988 1.00 0.00 C ATOM 1140 O SER A 77 -13.968 -11.140 -7.469 1.00 0.00 O ATOM 1141 CB SER A 77 -11.648 -13.304 -8.308 1.00 0.00 C ATOM 1142 OG SER A 77 -11.323 -12.038 -8.855 1.00 0.00 O ATOM 0 H SER A 77 -13.882 -12.649 -9.667 1.00 0.00 H new ATOM 0 HA SER A 77 -13.266 -14.243 -7.247 1.00 0.00 H new ATOM 0 HB2 SER A 77 -10.991 -13.519 -7.465 1.00 0.00 H new ATOM 0 HB3 SER A 77 -11.475 -14.081 -9.053 1.00 0.00 H new ATOM 0 HG SER A 77 -10.385 -12.036 -9.140 1.00 0.00 H new ATOM 1148 N SER A 78 -13.049 -12.201 -5.711 1.00 0.00 N ATOM 1149 CA SER A 78 -13.287 -11.102 -4.784 1.00 0.00 C ATOM 1150 C SER A 78 -12.024 -10.271 -4.589 1.00 0.00 C ATOM 1151 O SER A 78 -12.092 -9.062 -4.367 1.00 0.00 O ATOM 1152 CB SER A 78 -13.770 -11.641 -3.436 1.00 0.00 C ATOM 1153 OG SER A 78 -14.901 -10.921 -2.976 1.00 0.00 O ATOM 0 H SER A 78 -12.588 -13.011 -5.296 1.00 0.00 H new ATOM 0 HA SER A 78 -14.059 -10.461 -5.210 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.021 -12.697 -3.532 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.966 -11.570 -2.703 1.00 0.00 H new ATOM 0 HG SER A 78 -15.192 -11.285 -2.114 1.00 0.00 H new ATOM 1159 N GLU A 79 -10.870 -10.926 -4.674 1.00 0.00 N ATOM 1160 CA GLU A 79 -9.591 -10.246 -4.507 1.00 0.00 C ATOM 1161 C GLU A 79 -9.513 -9.009 -5.398 1.00 0.00 C ATOM 1162 O GLU A 79 -9.360 -7.890 -4.908 1.00 0.00 O ATOM 1163 CB GLU A 79 -8.439 -11.196 -4.834 1.00 0.00 C ATOM 1164 CG GLU A 79 -8.411 -12.442 -3.964 1.00 0.00 C ATOM 1165 CD GLU A 79 -7.008 -12.978 -3.757 1.00 0.00 C ATOM 1166 OE1 GLU A 79 -6.220 -12.970 -4.726 1.00 0.00 O ATOM 1167 OE2 GLU A 79 -6.697 -13.408 -2.626 1.00 0.00 O ATOM 0 H GLU A 79 -10.795 -11.927 -4.857 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.508 -9.930 -3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -8.512 -11.495 -5.880 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.496 -10.662 -4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.855 -12.214 -2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.027 -13.215 -4.423 1.00 0.00 H new ATOM 1174 N GLY A 80 -9.616 -9.221 -6.706 1.00 0.00 N ATOM 1175 CA GLY A 80 -9.553 -8.114 -7.644 1.00 0.00 C ATOM 1176 C GLY A 80 -8.383 -7.188 -7.375 1.00 0.00 C ATOM 1177 O GLY A 80 -7.225 -7.584 -7.512 1.00 0.00 O ATOM 0 H GLY A 80 -9.742 -10.139 -7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.476 -8.506 -8.658 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.481 -7.545 -7.592 1.00 0.00 H new ATOM 1181 N LEU A 81 -8.685 -5.956 -6.979 1.00 0.00 N ATOM 1182 CA LEU A 81 -7.650 -4.975 -6.680 1.00 0.00 C ATOM 1183 C LEU A 81 -6.648 -5.536 -5.678 1.00 0.00 C ATOM 1184 O LEU A 81 -5.479 -5.152 -5.671 1.00 0.00 O ATOM 1185 CB LEU A 81 -8.277 -3.690 -6.131 1.00 0.00 C ATOM 1186 CG LEU A 81 -8.740 -3.760 -4.674 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -9.085 -2.370 -4.161 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -9.935 -4.692 -4.533 1.00 0.00 C ATOM 0 H LEU A 81 -9.638 -5.614 -6.858 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.122 -4.744 -7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.552 -2.882 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.131 -3.427 -6.754 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.923 -4.160 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.413 -2.436 -3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.205 -1.730 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.885 -1.946 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.248 -4.727 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.758 -4.324 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.656 -5.693 -4.862 1.00 0.00 H new ATOM 1200 N VAL A 82 -7.115 -6.454 -4.838 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.260 -7.076 -3.834 1.00 0.00 C ATOM 1202 C VAL A 82 -5.031 -7.707 -4.478 1.00 0.00 C ATOM 1203 O VAL A 82 -3.906 -7.505 -4.021 1.00 0.00 O ATOM 1204 CB VAL A 82 -7.018 -8.154 -3.037 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -6.119 -8.761 -1.971 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -8.278 -7.570 -2.414 1.00 0.00 C ATOM 0 H VAL A 82 -8.080 -6.783 -4.833 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.947 -6.286 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.314 -8.947 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.672 -9.521 -1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.250 -9.218 -2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.790 -7.980 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.801 -8.346 -1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.008 -6.757 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.929 -7.188 -3.200 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.254 -8.472 -5.542 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.156 -9.119 -6.234 1.00 0.00 C ATOM 1218 C GLY A 83 -3.150 -8.122 -6.776 1.00 0.00 C ATOM 1219 O GLY A 83 -1.942 -8.335 -6.681 1.00 0.00 O ATOM 0 H GLY A 83 -6.176 -8.655 -5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.653 -9.805 -5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.550 -9.718 -7.055 1.00 0.00 H new ATOM 1223 N ALA A 84 -3.650 -7.030 -7.345 1.00 0.00 N ATOM 1224 CA ALA A 84 -2.787 -5.994 -7.898 1.00 0.00 C ATOM 1225 C ALA A 84 -1.743 -5.554 -6.877 1.00 0.00 C ATOM 1226 O ALA A 84 -0.636 -5.154 -7.237 1.00 0.00 O ATOM 1227 CB ALA A 84 -3.615 -4.805 -8.358 1.00 0.00 C ATOM 0 H ALA A 84 -4.648 -6.840 -7.435 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.265 -6.409 -8.760 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.956 -4.040 -8.768 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.319 -5.127 -9.125 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.164 -4.394 -7.511 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.103 -5.637 -5.600 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.198 -5.256 -4.523 1.00 0.00 C ATOM 1235 C LEU A 85 -0.153 -6.340 -4.285 1.00 0.00 C ATOM 1236 O LEU A 85 1.004 -6.047 -3.984 1.00 0.00 O ATOM 1237 CB LEU A 85 -1.985 -4.998 -3.236 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.424 -3.889 -2.342 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.093 -3.918 -0.977 1.00 0.00 C ATOM 1240 CD2 LEU A 85 0.085 -4.026 -2.204 1.00 0.00 C ATOM 0 H LEU A 85 -3.016 -5.965 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.686 -4.340 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.012 -4.745 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.023 -5.923 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.638 -2.927 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.683 -3.123 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.166 -3.769 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.910 -4.882 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.466 -3.229 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.323 -4.992 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.548 -3.955 -3.188 1.00 0.00 H new ATOM 1252 N MET A 86 -0.570 -7.595 -4.420 1.00 0.00 N ATOM 1253 CA MET A 86 0.329 -8.725 -4.221 1.00 0.00 C ATOM 1254 C MET A 86 1.552 -8.610 -5.123 1.00 0.00 C ATOM 1255 O MET A 86 2.681 -8.830 -4.687 1.00 0.00 O ATOM 1256 CB MET A 86 -0.402 -10.040 -4.499 1.00 0.00 C ATOM 1257 CG MET A 86 -1.550 -10.313 -3.541 1.00 0.00 C ATOM 1258 SD MET A 86 -2.292 -11.937 -3.790 1.00 0.00 S ATOM 1259 CE MET A 86 -4.014 -11.580 -3.448 1.00 0.00 C ATOM 0 H MET A 86 -1.525 -7.855 -4.666 1.00 0.00 H new ATOM 0 HA MET A 86 0.662 -8.715 -3.183 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.787 -10.023 -5.519 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.312 -10.862 -4.441 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.188 -10.237 -2.516 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.314 -9.546 -3.668 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.483 -12.452 -2.991 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.081 -10.733 -2.766 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.527 -11.338 -4.379 1.00 0.00 H new ATOM 1269 N HIS A 87 1.318 -8.262 -6.384 1.00 0.00 N ATOM 1270 CA HIS A 87 2.401 -8.111 -7.348 1.00 0.00 C ATOM 1271 C HIS A 87 3.324 -6.966 -6.944 1.00 0.00 C ATOM 1272 O HIS A 87 4.538 -7.033 -7.139 1.00 0.00 O ATOM 1273 CB HIS A 87 1.835 -7.857 -8.746 1.00 0.00 C ATOM 1274 CG HIS A 87 2.872 -7.893 -9.826 1.00 0.00 C ATOM 1275 ND1 HIS A 87 2.678 -7.336 -11.074 1.00 0.00 N ATOM 1276 CD2 HIS A 87 4.118 -8.423 -9.843 1.00 0.00 C ATOM 1277 CE1 HIS A 87 3.760 -7.522 -11.810 1.00 0.00 C ATOM 1278 NE2 HIS A 87 4.647 -8.178 -11.086 1.00 0.00 N ATOM 0 H HIS A 87 0.388 -8.079 -6.762 1.00 0.00 H new ATOM 0 HA HIS A 87 2.978 -9.035 -7.362 1.00 0.00 H new ATOM 0 HB2 HIS A 87 1.071 -8.604 -8.961 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.342 -6.885 -8.759 1.00 0.00 H new ATOM 0 HD2 HIS A 87 4.605 -8.942 -9.030 1.00 0.00 H new ATOM 0 HE1 HIS A 87 3.895 -7.193 -12.830 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.576 -8.458 -11.399 1.00 0.00 H new ATOM 1287 N VAL A 88 2.739 -5.919 -6.372 1.00 0.00 N ATOM 1288 CA VAL A 88 3.507 -4.761 -5.930 1.00 0.00 C ATOM 1289 C VAL A 88 4.415 -5.125 -4.760 1.00 0.00 C ATOM 1290 O VAL A 88 5.541 -4.636 -4.659 1.00 0.00 O ATOM 1291 CB VAL A 88 2.586 -3.601 -5.509 1.00 0.00 C ATOM 1292 CG1 VAL A 88 3.409 -2.397 -5.077 1.00 0.00 C ATOM 1293 CG2 VAL A 88 1.638 -3.233 -6.640 1.00 0.00 C ATOM 0 H VAL A 88 1.735 -5.849 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 88 4.115 -4.440 -6.776 1.00 0.00 H new ATOM 0 HB VAL A 88 1.987 -3.926 -4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.742 -1.587 -4.783 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.040 -2.672 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.036 -2.068 -5.906 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.995 -2.412 -6.323 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.215 -2.927 -7.513 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.024 -4.096 -6.895 1.00 0.00 H new ATOM 1303 N MET A 89 3.919 -5.985 -3.877 1.00 0.00 N ATOM 1304 CA MET A 89 4.687 -6.420 -2.719 1.00 0.00 C ATOM 1305 C MET A 89 5.823 -7.343 -3.142 1.00 0.00 C ATOM 1306 O MET A 89 6.920 -7.294 -2.583 1.00 0.00 O ATOM 1307 CB MET A 89 3.779 -7.140 -1.719 1.00 0.00 C ATOM 1308 CG MET A 89 3.334 -6.262 -0.561 1.00 0.00 C ATOM 1309 SD MET A 89 4.692 -5.823 0.541 1.00 0.00 S ATOM 1310 CE MET A 89 4.676 -4.038 0.402 1.00 0.00 C ATOM 0 H MET A 89 2.987 -6.394 -3.942 1.00 0.00 H new ATOM 0 HA MET A 89 5.113 -5.537 -2.242 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.898 -7.511 -2.243 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.305 -8.009 -1.324 1.00 0.00 H new ATOM 0 HG2 MET A 89 2.881 -5.352 -0.954 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.563 -6.781 0.008 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.363 -3.610 1.132 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.986 -3.748 -0.602 1.00 0.00 H new ATOM 0 HE3 MET A 89 3.669 -3.667 0.592 1.00 0.00 H new ATOM 1320 N GLN A 90 5.555 -8.182 -4.137 1.00 0.00 N ATOM 1321 CA GLN A 90 6.555 -9.113 -4.643 1.00 0.00 C ATOM 1322 C GLN A 90 7.694 -8.361 -5.324 1.00 0.00 C ATOM 1323 O GLN A 90 8.835 -8.822 -5.340 1.00 0.00 O ATOM 1324 CB GLN A 90 5.917 -10.097 -5.625 1.00 0.00 C ATOM 1325 CG GLN A 90 4.949 -11.068 -4.968 1.00 0.00 C ATOM 1326 CD GLN A 90 5.499 -12.479 -4.891 1.00 0.00 C ATOM 1327 OE1 GLN A 90 6.698 -12.681 -4.697 1.00 0.00 O ATOM 1328 NE2 GLN A 90 4.622 -13.464 -5.042 1.00 0.00 N ATOM 0 H GLN A 90 4.652 -8.236 -4.609 1.00 0.00 H new ATOM 0 HA GLN A 90 6.961 -9.670 -3.799 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.389 -9.537 -6.397 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.704 -10.663 -6.123 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.716 -10.718 -3.962 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.014 -11.077 -5.528 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.637 -13.250 -5.201 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.933 -14.435 -4.999 1.00 0.00 H new ATOM 1337 N LYS A 91 7.375 -7.197 -5.882 1.00 0.00 N ATOM 1338 CA LYS A 91 8.370 -6.375 -6.559 1.00 0.00 C ATOM 1339 C LYS A 91 9.518 -6.030 -5.616 1.00 0.00 C ATOM 1340 O LYS A 91 10.688 -6.101 -5.992 1.00 0.00 O ATOM 1341 CB LYS A 91 7.726 -5.093 -7.089 1.00 0.00 C ATOM 1342 CG LYS A 91 7.968 -4.857 -8.570 1.00 0.00 C ATOM 1343 CD LYS A 91 7.243 -5.887 -9.423 1.00 0.00 C ATOM 1344 CE LYS A 91 6.682 -5.263 -10.691 1.00 0.00 C ATOM 1345 NZ LYS A 91 7.760 -4.872 -11.642 1.00 0.00 N ATOM 0 H LYS A 91 6.434 -6.802 -5.878 1.00 0.00 H new ATOM 0 HA LYS A 91 8.770 -6.945 -7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.652 -5.134 -6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.112 -4.243 -6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.631 -3.856 -8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.037 -4.899 -8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.929 -6.692 -9.685 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.433 -6.334 -8.846 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.009 -5.970 -11.176 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.090 -4.385 -10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.336 -4.451 -12.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.388 -4.178 -11.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.309 -5.714 -11.909 1.00 0.00 H new ATOM 1359 N ARG A 92 9.172 -5.657 -4.387 1.00 0.00 N ATOM 1360 CA ARG A 92 10.171 -5.305 -3.384 1.00 0.00 C ATOM 1361 C ARG A 92 10.702 -6.553 -2.689 1.00 0.00 C ATOM 1362 O ARG A 92 11.857 -6.598 -2.265 1.00 0.00 O ATOM 1363 CB ARG A 92 9.570 -4.346 -2.354 1.00 0.00 C ATOM 1364 CG ARG A 92 10.481 -4.072 -1.168 1.00 0.00 C ATOM 1365 CD ARG A 92 11.791 -3.438 -1.606 1.00 0.00 C ATOM 1366 NE ARG A 92 12.950 -4.154 -1.075 1.00 0.00 N ATOM 1367 CZ ARG A 92 14.185 -4.011 -1.546 1.00 0.00 C ATOM 1368 NH1 ARG A 92 14.421 -3.182 -2.554 1.00 0.00 N ATOM 1369 NH2 ARG A 92 15.184 -4.697 -1.009 1.00 0.00 N ATOM 0 H ARG A 92 8.207 -5.591 -4.062 1.00 0.00 H new ATOM 0 HA ARG A 92 11.002 -4.811 -3.887 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.334 -3.402 -2.845 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.630 -4.760 -1.990 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.974 -3.413 -0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.685 -5.004 -0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.841 -3.424 -2.695 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.821 -2.401 -1.272 1.00 0.00 H new ATOM 0 HE ARG A 92 12.803 -4.800 -0.299 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.654 -2.653 -2.969 1.00 0.00 H new ATOM 0 HH12 ARG A 92 15.369 -3.074 -2.914 1.00 0.00 H new ATOM 0 HH21 ARG A 92 15.006 -5.335 -0.234 1.00 0.00 H new ATOM 0 HH22 ARG A 92 16.131 -4.587 -1.371 1.00 0.00 H new ATOM 1383 N SER A 93 9.852 -7.569 -2.578 1.00 0.00 N ATOM 1384 CA SER A 93 10.234 -8.820 -1.935 1.00 0.00 C ATOM 1385 C SER A 93 11.253 -9.578 -2.779 1.00 0.00 C ATOM 1386 O SER A 93 12.299 -9.995 -2.281 1.00 0.00 O ATOM 1387 CB SER A 93 8.999 -9.694 -1.699 1.00 0.00 C ATOM 1388 OG SER A 93 8.958 -10.170 -0.366 1.00 0.00 O ATOM 0 H SER A 93 8.893 -7.550 -2.926 1.00 0.00 H new ATOM 0 HA SER A 93 10.691 -8.581 -0.975 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.097 -9.119 -1.911 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.009 -10.537 -2.389 1.00 0.00 H new ATOM 0 HG SER A 93 8.159 -10.724 -0.241 1.00 0.00 H new ATOM 1394 N ARG A 94 10.940 -9.753 -4.059 1.00 0.00 N ATOM 1395 CA ARG A 94 11.828 -10.465 -4.971 1.00 0.00 C ATOM 1396 C ARG A 94 12.873 -9.524 -5.563 1.00 0.00 C ATOM 1397 O ARG A 94 14.072 -9.697 -5.343 1.00 0.00 O ATOM 1398 CB ARG A 94 11.021 -11.119 -6.095 1.00 0.00 C ATOM 1399 CG ARG A 94 11.224 -12.622 -6.196 1.00 0.00 C ATOM 1400 CD ARG A 94 10.078 -13.384 -5.553 1.00 0.00 C ATOM 1401 NE ARG A 94 9.465 -14.337 -6.474 1.00 0.00 N ATOM 1402 CZ ARG A 94 8.575 -13.997 -7.400 1.00 0.00 C ATOM 1403 NH1 ARG A 94 8.196 -12.732 -7.528 1.00 0.00 N ATOM 1404 NH2 ARG A 94 8.062 -14.920 -8.202 1.00 0.00 N ATOM 0 H ARG A 94 10.079 -9.412 -4.488 1.00 0.00 H new ATOM 0 HA ARG A 94 12.344 -11.239 -4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.962 -10.914 -5.937 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.297 -10.659 -7.044 1.00 0.00 H new ATOM 0 HG2 ARG A 94 11.310 -12.909 -7.244 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.161 -12.897 -5.712 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.444 -13.915 -4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.323 -12.678 -5.207 1.00 0.00 H new ATOM 0 HE ARG A 94 9.735 -15.318 -6.402 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.588 -12.018 -6.915 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.513 -12.474 -8.240 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.350 -15.894 -8.109 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.379 -14.656 -8.912 1.00 0.00 H new ATOM 1418 N ALA A 95 12.410 -8.534 -6.320 1.00 0.00 N ATOM 1419 CA ALA A 95 13.305 -7.572 -6.953 1.00 0.00 C ATOM 1420 C ALA A 95 14.343 -8.278 -7.817 1.00 0.00 C ATOM 1421 O ALA A 95 15.265 -8.913 -7.305 1.00 0.00 O ATOM 1422 CB ALA A 95 13.986 -6.710 -5.903 1.00 0.00 C ATOM 0 H ALA A 95 11.420 -8.377 -6.510 1.00 0.00 H new ATOM 0 HA ALA A 95 12.708 -6.929 -7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 95 14.650 -5.998 -6.392 1.00 0.00 H new ATOM 0 HB2 ALA A 95 13.232 -6.169 -5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 95 14.565 -7.344 -5.231 1.00 0.00 H new ATOM 1428 N ILE A 96 14.187 -8.162 -9.131 1.00 0.00 N ATOM 1429 CA ILE A 96 15.109 -8.793 -10.068 1.00 0.00 C ATOM 1430 C ILE A 96 15.929 -7.748 -10.817 1.00 0.00 C ATOM 1431 O ILE A 96 15.941 -7.721 -12.049 1.00 0.00 O ATOM 1432 CB ILE A 96 14.362 -9.671 -11.090 1.00 0.00 C ATOM 1433 CG1 ILE A 96 13.397 -10.619 -10.374 1.00 0.00 C ATOM 1434 CG2 ILE A 96 15.353 -10.457 -11.936 1.00 0.00 C ATOM 1435 CD1 ILE A 96 12.168 -9.931 -9.824 1.00 0.00 C ATOM 0 H ILE A 96 13.431 -7.637 -9.571 1.00 0.00 H new ATOM 0 HA ILE A 96 15.775 -9.423 -9.479 1.00 0.00 H new ATOM 0 HB ILE A 96 13.783 -9.023 -11.748 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.086 -11.400 -11.068 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.924 -11.111 -9.557 1.00 0.00 H new ATOM 0 HG21 ILE A 96 14.811 -11.073 -12.654 1.00 0.00 H new ATOM 0 HG22 ILE A 96 16.004 -9.765 -12.470 1.00 0.00 H new ATOM 0 HG23 ILE A 96 15.955 -11.097 -11.291 1.00 0.00 H new ATOM 0 HD11 ILE A 96 11.531 -10.665 -9.331 1.00 0.00 H new ATOM 0 HD12 ILE A 96 12.469 -9.169 -9.105 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.618 -9.462 -10.640 1.00 0.00 H new ATOM 1447 N HIS A 97 16.611 -6.888 -10.069 1.00 0.00 N ATOM 1448 CA HIS A 97 17.431 -5.842 -10.665 1.00 0.00 C ATOM 1449 C HIS A 97 18.600 -5.479 -9.755 1.00 0.00 C ATOM 1450 O HIS A 97 18.409 -4.921 -8.676 1.00 0.00 O ATOM 1451 CB HIS A 97 16.584 -4.599 -10.945 1.00 0.00 C ATOM 1452 CG HIS A 97 15.594 -4.786 -12.053 1.00 0.00 C ATOM 1453 ND1 HIS A 97 15.947 -4.778 -13.386 1.00 0.00 N ATOM 1454 CD2 HIS A 97 14.256 -4.988 -12.021 1.00 0.00 C ATOM 1455 CE1 HIS A 97 14.868 -4.966 -14.126 1.00 0.00 C ATOM 1456 NE2 HIS A 97 13.830 -5.096 -13.321 1.00 0.00 N ATOM 0 H HIS A 97 16.612 -6.895 -9.049 1.00 0.00 H new ATOM 0 HA HIS A 97 17.831 -6.222 -11.605 1.00 0.00 H new ATOM 0 HB2 HIS A 97 16.051 -4.320 -10.036 1.00 0.00 H new ATOM 0 HB3 HIS A 97 17.244 -3.768 -11.195 1.00 0.00 H new ATOM 0 HD2 HIS A 97 13.639 -5.052 -11.137 1.00 0.00 H new ATOM 0 HE1 HIS A 97 14.840 -5.006 -15.205 1.00 0.00 H new ATOM 0 HE2 HIS A 97 12.867 -5.252 -13.617 1.00 0.00 H new ATOM 1465 N SER A 98 19.810 -5.799 -10.200 1.00 0.00 N ATOM 1466 CA SER A 98 21.011 -5.505 -9.428 1.00 0.00 C ATOM 1467 C SER A 98 21.432 -4.051 -9.609 1.00 0.00 C ATOM 1468 O SER A 98 21.896 -3.405 -8.669 1.00 0.00 O ATOM 1469 CB SER A 98 22.151 -6.435 -9.847 1.00 0.00 C ATOM 1470 OG SER A 98 22.574 -6.159 -11.172 1.00 0.00 O ATOM 0 H SER A 98 19.985 -6.262 -11.092 1.00 0.00 H new ATOM 0 HA SER A 98 20.785 -5.670 -8.374 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.991 -6.318 -9.162 1.00 0.00 H new ATOM 0 HB3 SER A 98 21.824 -7.472 -9.775 1.00 0.00 H new ATOM 0 HG SER A 98 23.304 -6.765 -11.415 1.00 0.00 H new ATOM 1476 N SER A 99 21.263 -3.539 -10.824 1.00 0.00 N ATOM 1477 CA SER A 99 21.621 -2.160 -11.130 1.00 0.00 C ATOM 1478 C SER A 99 20.499 -1.207 -10.732 1.00 0.00 C ATOM 1479 O SER A 99 20.741 -0.036 -10.440 1.00 0.00 O ATOM 1480 CB SER A 99 21.928 -2.010 -12.621 1.00 0.00 C ATOM 1481 OG SER A 99 22.017 -0.644 -12.990 1.00 0.00 O ATOM 0 H SER A 99 20.880 -4.060 -11.613 1.00 0.00 H new ATOM 0 HA SER A 99 22.512 -1.905 -10.555 1.00 0.00 H new ATOM 0 HB2 SER A 99 22.865 -2.515 -12.855 1.00 0.00 H new ATOM 0 HB3 SER A 99 21.149 -2.498 -13.207 1.00 0.00 H new ATOM 0 HG SER A 99 22.547 -0.159 -12.324 1.00 0.00 H new ATOM 1487 N ASP A 100 19.273 -1.718 -10.720 1.00 0.00 N ATOM 1488 CA ASP A 100 18.113 -0.912 -10.357 1.00 0.00 C ATOM 1489 C ASP A 100 17.815 0.128 -11.431 1.00 0.00 C ATOM 1490 O ASP A 100 16.819 0.028 -12.148 1.00 0.00 O ATOM 1491 CB ASP A 100 18.348 -0.220 -9.014 1.00 0.00 C ATOM 1492 CG ASP A 100 17.098 -0.176 -8.157 1.00 0.00 C ATOM 1493 OD1 ASP A 100 16.071 0.350 -8.634 1.00 0.00 O ATOM 1494 OD2 ASP A 100 17.146 -0.668 -7.011 1.00 0.00 O ATOM 0 H ASP A 100 19.057 -2.686 -10.957 1.00 0.00 H new ATOM 0 HA ASP A 100 17.253 -1.576 -10.271 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.137 -0.742 -8.473 1.00 0.00 H new ATOM 0 HB3 ASP A 100 18.700 0.796 -9.189 1.00 0.00 H new ATOM 1499 N GLU A 101 18.686 1.125 -11.537 1.00 0.00 N ATOM 1500 CA GLU A 101 18.516 2.188 -12.521 1.00 0.00 C ATOM 1501 C GLU A 101 19.860 2.810 -12.887 1.00 0.00 C ATOM 1502 O GLU A 101 20.231 2.865 -14.059 1.00 0.00 O ATOM 1503 CB GLU A 101 17.573 3.264 -11.978 1.00 0.00 C ATOM 1504 CG GLU A 101 17.473 4.493 -12.866 1.00 0.00 C ATOM 1505 CD GLU A 101 16.576 5.565 -12.279 1.00 0.00 C ATOM 1506 OE1 GLU A 101 15.529 5.210 -11.698 1.00 0.00 O ATOM 1507 OE2 GLU A 101 16.921 6.760 -12.399 1.00 0.00 O ATOM 0 H GLU A 101 19.517 1.220 -10.954 1.00 0.00 H new ATOM 0 HA GLU A 101 18.081 1.753 -13.421 1.00 0.00 H new ATOM 0 HB2 GLU A 101 16.579 2.834 -11.854 1.00 0.00 H new ATOM 0 HB3 GLU A 101 17.915 3.568 -10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 101 18.470 4.905 -13.024 1.00 0.00 H new ATOM 0 HG3 GLU A 101 17.091 4.200 -13.844 1.00 0.00 H new ATOM 1514 N GLY A 102 20.584 3.278 -11.876 1.00 0.00 N ATOM 1515 CA GLY A 102 21.877 3.893 -12.111 1.00 0.00 C ATOM 1516 C GLY A 102 22.816 2.992 -12.888 1.00 0.00 C ATOM 1517 O GLY A 102 22.555 1.799 -13.046 1.00 0.00 O ATOM 0 H GLY A 102 20.298 3.242 -10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 102 21.738 4.826 -12.658 1.00 0.00 H new ATOM 0 HA3 GLY A 102 22.333 4.149 -11.155 1.00 0.00 H new ATOM 1521 N GLU A 103 23.914 3.563 -13.372 1.00 0.00 N ATOM 1522 CA GLU A 103 24.897 2.805 -14.136 1.00 0.00 C ATOM 1523 C GLU A 103 26.261 2.844 -13.457 1.00 0.00 C ATOM 1524 O GLU A 103 26.941 1.823 -13.349 1.00 0.00 O ATOM 1525 CB GLU A 103 25.006 3.360 -15.557 1.00 0.00 C ATOM 1526 CG GLU A 103 23.846 2.963 -16.455 1.00 0.00 C ATOM 1527 CD GLU A 103 23.755 1.464 -16.660 1.00 0.00 C ATOM 1528 OE1 GLU A 103 23.261 0.769 -15.746 1.00 0.00 O ATOM 1529 OE2 GLU A 103 24.176 0.984 -17.732 1.00 0.00 O ATOM 0 H GLU A 103 24.145 4.549 -13.248 1.00 0.00 H new ATOM 0 HA GLU A 103 24.564 1.768 -14.182 1.00 0.00 H new ATOM 0 HB2 GLU A 103 25.063 4.448 -15.510 1.00 0.00 H new ATOM 0 HB3 GLU A 103 25.937 3.011 -16.004 1.00 0.00 H new ATOM 0 HG2 GLU A 103 22.914 3.324 -16.020 1.00 0.00 H new ATOM 0 HG3 GLU A 103 23.956 3.452 -17.423 1.00 0.00 H new ATOM 1536 N ASP A 104 26.655 4.028 -12.999 1.00 0.00 N ATOM 1537 CA ASP A 104 27.938 4.200 -12.329 1.00 0.00 C ATOM 1538 C ASP A 104 28.066 3.246 -11.146 1.00 0.00 C ATOM 1539 O ASP A 104 27.274 3.300 -10.205 1.00 0.00 O ATOM 1540 CB ASP A 104 28.096 5.644 -11.849 1.00 0.00 C ATOM 1541 CG ASP A 104 28.092 6.639 -12.994 1.00 0.00 C ATOM 1542 OD1 ASP A 104 29.181 6.929 -13.532 1.00 0.00 O ATOM 1543 OD2 ASP A 104 27.000 7.127 -13.351 1.00 0.00 O ATOM 0 H ASP A 104 26.104 4.882 -13.080 1.00 0.00 H new ATOM 0 HA ASP A 104 28.727 3.972 -13.046 1.00 0.00 H new ATOM 0 HB2 ASP A 104 27.287 5.885 -11.159 1.00 0.00 H new ATOM 0 HB3 ASP A 104 29.028 5.739 -11.292 1.00 0.00 H new ATOM 1548 N GLN A 105 29.069 2.377 -11.198 1.00 0.00 N ATOM 1549 CA GLN A 105 29.300 1.413 -10.129 1.00 0.00 C ATOM 1550 C GLN A 105 30.538 1.783 -9.320 1.00 0.00 C ATOM 1551 O GLN A 105 31.424 0.955 -9.106 1.00 0.00 O ATOM 1552 CB GLN A 105 29.458 0.006 -10.709 1.00 0.00 C ATOM 1553 CG GLN A 105 30.215 -0.026 -12.027 1.00 0.00 C ATOM 1554 CD GLN A 105 30.823 -1.384 -12.316 1.00 0.00 C ATOM 1555 OE1 GLN A 105 32.008 -1.611 -12.072 1.00 0.00 O ATOM 1556 NE2 GLN A 105 30.011 -2.297 -12.837 1.00 0.00 N ATOM 0 H GLN A 105 29.735 2.320 -11.969 1.00 0.00 H new ATOM 0 HA GLN A 105 28.436 1.431 -9.465 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.979 -0.620 -9.985 1.00 0.00 H new ATOM 0 HB3 GLN A 105 28.470 -0.431 -10.856 1.00 0.00 H new ATOM 0 HG2 GLN A 105 29.538 0.245 -12.837 1.00 0.00 H new ATOM 0 HG3 GLN A 105 31.005 0.725 -12.007 1.00 0.00 H new ATOM 0 HE21 GLN A 105 29.035 -2.065 -13.023 1.00 0.00 H new ATOM 0 HE22 GLN A 105 30.363 -3.230 -13.051 1.00 0.00 H new ATOM 1565 N ALA A 106 30.594 3.033 -8.872 1.00 0.00 N ATOM 1566 CA ALA A 106 31.723 3.513 -8.084 1.00 0.00 C ATOM 1567 C ALA A 106 31.702 2.921 -6.679 1.00 0.00 C ATOM 1568 O ALA A 106 30.945 3.368 -5.818 1.00 0.00 O ATOM 1569 CB ALA A 106 31.713 5.033 -8.018 1.00 0.00 C ATOM 0 H ALA A 106 29.871 3.732 -9.041 1.00 0.00 H new ATOM 0 HA ALA A 106 32.641 3.188 -8.574 1.00 0.00 H new ATOM 0 HB1 ALA A 106 32.561 5.377 -7.427 1.00 0.00 H new ATOM 0 HB2 ALA A 106 31.784 5.441 -9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 106 30.786 5.371 -7.554 1.00 0.00 H new ATOM 1575 N GLY A 107 32.538 1.912 -6.455 1.00 0.00 N ATOM 1576 CA GLY A 107 32.600 1.277 -5.152 1.00 0.00 C ATOM 1577 C GLY A 107 33.606 1.939 -4.231 1.00 0.00 C ATOM 1578 O GLY A 107 33.818 3.162 -4.365 1.00 0.00 O ATOM 1579 OXT GLY A 107 34.184 1.233 -3.378 1.00 0.00 O ATOM 0 H GLY A 107 33.173 1.523 -7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 107 31.614 1.307 -4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 107 32.862 0.226 -5.276 1.00 0.00 H new TER 1583 GLY A 107 HETATM 1584 C0 WSK A 108 -6.559 7.480 3.350 1.00 20.00 C HETATM 1585 N0 WSK A 108 -4.764 7.677 -0.524 1.00 20.00 N HETATM 1586 O0 WSK A 108 -3.896 10.035 -2.868 1.00 20.00 O HETATM 1587 C1 WSK A 108 -7.316 8.225 2.329 1.00 20.00 C HETATM 1588 N1 WSK A 108 -5.987 11.213 -3.688 1.00 20.00 N HETATM 1589 C2 WSK A 108 -6.825 8.364 0.979 1.00 20.00 C HETATM 1590 C3 WSK A 108 -5.538 7.735 0.639 1.00 20.00 C HETATM 1591 C4 WSK A 108 -4.788 6.996 1.654 1.00 20.00 C HETATM 1592 C5 WSK A 108 -5.297 6.859 3.029 1.00 20.00 C HETATM 1593 C6 WSK A 108 -3.595 6.505 1.043 1.00 20.00 C HETATM 1594 C7 WSK A 108 -3.591 6.937 -0.349 1.00 20.00 C HETATM 1595 C8 WSK A 108 -2.459 6.585 -1.228 1.00 20.00 C HETATM 1596 C9 WSK A 108 -1.376 5.804 -0.670 1.00 20.00 C HETATM 1597 C10 WSK A 108 -1.405 5.361 0.742 1.00 20.00 C HETATM 1598 C11 WSK A 108 -2.499 5.701 1.587 1.00 20.00 C HETATM 1599 C12 WSK A 108 -5.164 8.270 -1.822 1.00 20.00 C HETATM 1600 C13 WSK A 108 -4.925 9.742 -1.851 1.00 20.00 C HETATM 1601 C14 WSK A 108 -6.243 10.483 -2.448 1.00 20.00 C HETATM 1602 C15 WSK A 108 -7.122 11.181 -4.605 1.00 20.00 C HETATM 1603 C16 WSK A 108 -5.643 12.603 -3.412 1.00 20.00 C HETATM 1604 BR1 WSK A 108 -0.011 4.320 1.492 1.00 20.00 BR HETATM 1605 BR2 WSK A 108 -7.253 7.329 5.103 1.00 20.00 BR HETATM 0 H9 WSK A 108 -4.605 7.794 -2.628 1.00 20.00 H new HETATM 0 H8 WSK A 108 -6.220 8.069 -2.005 1.00 20.00 H new HETATM 0 H6 WSK A 108 -2.520 5.367 2.624 1.00 20.00 H new HETATM 0 H5 WSK A 108 -0.526 5.538 -1.299 1.00 20.00 H new HETATM 0 H4 WSK A 108 -2.439 6.905 -2.270 1.00 20.00 H new HETATM 0 H3 WSK A 108 -4.737 6.305 3.782 1.00 20.00 H new HETATM 0 H2 WSK A 108 -7.391 8.919 0.232 1.00 20.00 H new HETATM 0 H19 WSK A 108 -7.349 10.148 -4.867 1.00 20.00 H new HETATM 0 H18 WSK A 108 -7.990 11.633 -4.125 1.00 20.00 H new HETATM 0 H17 WSK A 108 -6.876 11.739 -5.508 1.00 20.00 H new HETATM 0 H16 WSK A 108 -6.468 13.084 -2.886 1.00 20.00 H new HETATM 0 H15 WSK A 108 -4.747 12.640 -2.793 1.00 20.00 H new HETATM 0 H14 WSK A 108 -5.457 13.125 -4.351 1.00 20.00 H new HETATM 0 H13 WSK A 108 -3.393 10.834 -2.604 1.00 20.00 H new HETATM 0 H12 WSK A 108 -6.631 11.175 -1.701 1.00 20.00 H new HETATM 0 H11 WSK A 108 -7.019 9.739 -2.627 1.00 20.00 H new HETATM 0 H10 WSK A 108 -4.659 10.065 -0.844 1.00 20.00 H new HETATM 0 H1 WSK A 108 -8.268 8.681 2.599 1.00 20.00 H new