USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 768 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 36 SER OG : rot -64:sc= 1 USER MOD Set 1.2: A 39 GLN : amide:sc= 0.855 K(o=0.15,f=-6.7!) USER MOD Set 1.3: A 97 HIS : no HD1:sc= -1.71 K(o=0.15,f=-1.7) USER MOD Single : A 1 SER N :NH3+ -113:sc= 0.562 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.238 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -1.83! K(o=-1.8!,f=-0.37) USER MOD Single : A 7 SER OG : rot -120:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -0.0529 K(o=-0.053,f=-3.5!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 20 ASN : amide:sc= -0.309 X(o=-0.31,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.635 K(o=-0.63,f=-3.2!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0213 USER MOD Single : A 31 SER OG : rot -179:sc= -0.574 USER MOD Single : A 41 THR OG1 : rot -18:sc= 0.117 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : A 46 SER OG : rot 141:sc= -2.88 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot -96:sc= 0.619 USER MOD Single : A 56 GLN : amide:sc= -2.71! C(o=-2.7!,f=-5.2!) USER MOD Single : A 64 GLN : amide:sc= -0.739 K(o=-0.74,f=-1.6) USER MOD Single : A 66 MET CE :methyl -124:sc= -2 (180deg=-5.71!) USER MOD Single : A 69 GLN : amide:sc= -5.37! C(o=-5.4!,f=-8.9!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -2.41 K(o=-2.4,f=-3.3!) USER MOD Single : A 77 SER OG : rot -155:sc= 0.0891 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -165:sc= -0.494 (180deg=-0.775) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 MET CE :methyl -149:sc= -0.692 (180deg=-2.29!) USER MOD Single : A 90 GLN : amide:sc= -1.83! C(o=-1.8!,f=-3.3!) 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 98 SER OG : rot 180:sc= -0.447 USER MOD Single : A 99 SER OG : rot 30:sc= 0.126 USER MOD Single : A 105 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.551 19.456 13.856 1.00 0.00 N ATOM 2 CA SER A 1 16.546 18.695 14.643 1.00 0.00 C ATOM 3 C SER A 1 15.126 19.083 14.247 1.00 0.00 C ATOM 4 O SER A 1 14.833 20.256 14.017 1.00 0.00 O ATOM 5 CB SER A 1 16.775 18.975 16.131 1.00 0.00 C ATOM 6 OG SER A 1 17.799 19.936 16.321 1.00 0.00 O ATOM 0 H1 SER A 1 18.066 18.805 13.229 1.00 0.00 H new ATOM 0 H2 SER A 1 17.069 20.179 13.284 1.00 0.00 H new ATOM 0 H3 SER A 1 18.222 19.917 14.503 1.00 0.00 H new ATOM 0 HA SER A 1 16.664 17.631 14.439 1.00 0.00 H new ATOM 0 HB2 SER A 1 15.850 19.332 16.583 1.00 0.00 H new ATOM 0 HB3 SER A 1 17.042 18.049 16.641 1.00 0.00 H new ATOM 0 HG SER A 1 17.923 20.097 17.280 1.00 0.00 H new ATOM 14 N GLY A 2 14.247 18.089 14.164 1.00 0.00 N ATOM 15 CA GLY A 2 12.868 18.346 13.794 1.00 0.00 C ATOM 16 C GLY A 2 12.695 18.542 12.300 1.00 0.00 C ATOM 17 O GLY A 2 11.819 19.288 11.863 1.00 0.00 O ATOM 0 H GLY A 2 14.466 17.110 14.347 1.00 0.00 H new ATOM 0 HA2 GLY A 2 12.246 17.514 14.123 1.00 0.00 H new ATOM 0 HA3 GLY A 2 12.514 19.234 14.317 1.00 0.00 H new ATOM 21 N PHE A 3 13.532 17.871 11.517 1.00 0.00 N ATOM 22 CA PHE A 3 13.468 17.974 10.064 1.00 0.00 C ATOM 23 C PHE A 3 12.480 16.964 9.490 1.00 0.00 C ATOM 24 O PHE A 3 12.381 15.835 9.971 1.00 0.00 O ATOM 25 CB PHE A 3 14.853 17.750 9.455 1.00 0.00 C ATOM 26 CG PHE A 3 15.460 16.424 9.815 1.00 0.00 C ATOM 27 CD1 PHE A 3 14.938 15.247 9.302 1.00 0.00 C ATOM 28 CD2 PHE A 3 16.552 16.355 10.665 1.00 0.00 C ATOM 29 CE1 PHE A 3 15.494 14.026 9.631 1.00 0.00 C ATOM 30 CE2 PHE A 3 17.112 15.136 10.998 1.00 0.00 C ATOM 31 CZ PHE A 3 16.583 13.970 10.480 1.00 0.00 C ATOM 0 H PHE A 3 14.263 17.250 11.864 1.00 0.00 H new ATOM 0 HA PHE A 3 13.124 18.977 9.811 1.00 0.00 H new ATOM 0 HB2 PHE A 3 14.780 17.824 8.370 1.00 0.00 H new ATOM 0 HB3 PHE A 3 15.519 18.547 9.785 1.00 0.00 H new ATOM 0 HD1 PHE A 3 14.087 15.285 8.638 1.00 0.00 H new ATOM 0 HD2 PHE A 3 16.970 17.264 11.072 1.00 0.00 H new ATOM 0 HE1 PHE A 3 15.078 13.116 9.225 1.00 0.00 H new ATOM 0 HE2 PHE A 3 17.962 15.095 11.663 1.00 0.00 H new ATOM 0 HZ PHE A 3 17.020 13.016 10.738 1.00 0.00 H new ATOM 41 N LYS A 4 11.748 17.378 8.461 1.00 0.00 N ATOM 42 CA LYS A 4 10.768 16.509 7.823 1.00 0.00 C ATOM 43 C LYS A 4 11.417 15.671 6.723 1.00 0.00 C ATOM 44 O LYS A 4 12.421 16.073 6.135 1.00 0.00 O ATOM 45 CB LYS A 4 9.613 17.341 7.254 1.00 0.00 C ATOM 46 CG LYS A 4 9.944 18.045 5.948 1.00 0.00 C ATOM 47 CD LYS A 4 9.529 17.209 4.756 1.00 0.00 C ATOM 48 CE LYS A 4 8.015 17.123 4.635 1.00 0.00 C ATOM 49 NZ LYS A 4 7.481 18.098 3.645 1.00 0.00 N ATOM 0 H LYS A 4 11.815 18.310 8.052 1.00 0.00 H new ATOM 0 HA LYS A 4 10.371 15.828 8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.753 16.690 7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.317 18.087 7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.438 19.010 5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.014 18.245 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.944 17.641 3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.945 16.206 4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.731 16.113 4.339 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.562 17.309 5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.446 18.008 3.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.730 19.064 3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.894 17.905 2.710 1.00 0.00 H new ATOM 63 N HIS A 5 10.837 14.507 6.453 1.00 0.00 N ATOM 64 CA HIS A 5 11.356 13.616 5.422 1.00 0.00 C ATOM 65 C HIS A 5 10.254 13.213 4.449 1.00 0.00 C ATOM 66 O HIS A 5 9.221 12.679 4.852 1.00 0.00 O ATOM 67 CB HIS A 5 11.974 12.368 6.056 1.00 0.00 C ATOM 68 CG HIS A 5 11.192 11.835 7.216 1.00 0.00 C ATOM 69 ND1 HIS A 5 10.709 10.544 7.270 1.00 0.00 N ATOM 70 CD2 HIS A 5 10.811 12.425 8.374 1.00 0.00 C ATOM 71 CE1 HIS A 5 10.064 10.364 8.409 1.00 0.00 C ATOM 72 NE2 HIS A 5 10.111 11.490 9.096 1.00 0.00 N ATOM 0 H HIS A 5 10.008 14.158 6.933 1.00 0.00 H new ATOM 0 HA HIS A 5 12.128 14.152 4.870 1.00 0.00 H new ATOM 0 HB2 HIS A 5 12.059 11.590 5.298 1.00 0.00 H new ATOM 0 HB3 HIS A 5 12.986 12.602 6.387 1.00 0.00 H new ATOM 0 HD2 HIS A 5 11.019 13.442 8.674 1.00 0.00 H new ATOM 0 HE1 HIS A 5 9.581 9.451 8.724 1.00 0.00 H new ATOM 0 HE2 HIS A 5 9.695 11.641 10.015 1.00 0.00 H new ATOM 81 N VAL A 6 10.480 13.475 3.166 1.00 0.00 N ATOM 82 CA VAL A 6 9.502 13.147 2.136 1.00 0.00 C ATOM 83 C VAL A 6 9.935 11.923 1.335 1.00 0.00 C ATOM 84 O VAL A 6 11.074 11.839 0.878 1.00 0.00 O ATOM 85 CB VAL A 6 9.284 14.328 1.172 1.00 0.00 C ATOM 86 CG1 VAL A 6 8.012 14.131 0.362 1.00 0.00 C ATOM 87 CG2 VAL A 6 9.239 15.639 1.940 1.00 0.00 C ATOM 0 H VAL A 6 11.332 13.913 2.815 1.00 0.00 H new ATOM 0 HA VAL A 6 8.565 12.929 2.648 1.00 0.00 H new ATOM 0 HB VAL A 6 10.124 14.367 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.876 14.976 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.089 13.212 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.158 14.064 1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.084 16.463 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.420 15.612 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.181 15.783 2.469 1.00 0.00 H new ATOM 97 N SER A 7 9.015 10.979 1.166 1.00 0.00 N ATOM 98 CA SER A 7 9.298 9.761 0.416 1.00 0.00 C ATOM 99 C SER A 7 8.962 9.946 -1.060 1.00 0.00 C ATOM 100 O SER A 7 7.875 10.408 -1.406 1.00 0.00 O ATOM 101 CB SER A 7 8.501 8.587 0.989 1.00 0.00 C ATOM 102 OG SER A 7 8.681 8.484 2.390 1.00 0.00 O ATOM 0 H SER A 7 8.067 11.034 1.538 1.00 0.00 H new ATOM 0 HA SER A 7 10.363 9.545 0.506 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.443 8.718 0.764 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.817 7.660 0.510 1.00 0.00 H new ATOM 0 HG SER A 7 9.068 7.610 2.607 1.00 0.00 H new ATOM 108 N HIS A 8 9.905 9.589 -1.926 1.00 0.00 N ATOM 109 CA HIS A 8 9.710 9.728 -3.364 1.00 0.00 C ATOM 110 C HIS A 8 8.755 8.665 -3.896 1.00 0.00 C ATOM 111 O HIS A 8 9.182 7.672 -4.485 1.00 0.00 O ATOM 112 CB HIS A 8 11.052 9.635 -4.093 1.00 0.00 C ATOM 113 CG HIS A 8 10.965 9.968 -5.550 1.00 0.00 C ATOM 114 ND1 HIS A 8 10.196 9.249 -6.442 1.00 0.00 N ATOM 115 CD2 HIS A 8 11.553 10.952 -6.271 1.00 0.00 C ATOM 116 CE1 HIS A 8 10.317 9.776 -7.648 1.00 0.00 C ATOM 117 NE2 HIS A 8 11.134 10.810 -7.570 1.00 0.00 N ATOM 0 H HIS A 8 10.810 9.202 -1.657 1.00 0.00 H new ATOM 0 HA HIS A 8 9.269 10.707 -3.549 1.00 0.00 H new ATOM 0 HB2 HIS A 8 11.763 10.310 -3.616 1.00 0.00 H new ATOM 0 HB3 HIS A 8 11.447 8.625 -3.982 1.00 0.00 H new ATOM 0 HD1 HIS A 8 9.624 8.438 -6.207 1.00 0.00 H new ATOM 0 HD2 HIS A 8 12.226 11.708 -5.894 1.00 0.00 H new ATOM 0 HE1 HIS A 8 9.830 9.421 -8.545 1.00 0.00 H new ATOM 126 N VAL A 9 7.460 8.885 -3.694 1.00 0.00 N ATOM 127 CA VAL A 9 6.443 7.954 -4.171 1.00 0.00 C ATOM 128 C VAL A 9 5.810 8.466 -5.460 1.00 0.00 C ATOM 129 O VAL A 9 5.683 7.730 -6.438 1.00 0.00 O ATOM 130 CB VAL A 9 5.333 7.724 -3.124 1.00 0.00 C ATOM 131 CG1 VAL A 9 4.631 6.400 -3.379 1.00 0.00 C ATOM 132 CG2 VAL A 9 5.897 7.772 -1.711 1.00 0.00 C ATOM 0 H VAL A 9 7.090 9.699 -3.204 1.00 0.00 H new ATOM 0 HA VAL A 9 6.946 7.005 -4.355 1.00 0.00 H new ATOM 0 HB VAL A 9 4.602 8.527 -3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.851 6.252 -2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.184 6.411 -4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.354 5.587 -3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.094 7.607 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.653 6.996 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.349 8.748 -1.532 1.00 0.00 H new ATOM 142 N GLY A 10 5.422 9.737 -5.452 1.00 0.00 N ATOM 143 CA GLY A 10 4.825 10.342 -6.629 1.00 0.00 C ATOM 144 C GLY A 10 3.436 9.812 -6.929 1.00 0.00 C ATOM 145 O GLY A 10 3.058 9.678 -8.093 1.00 0.00 O ATOM 0 H GLY A 10 5.511 10.360 -4.650 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.773 11.422 -6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.470 10.163 -7.489 1.00 0.00 H new ATOM 149 N TRP A 11 2.664 9.530 -5.884 1.00 0.00 N ATOM 150 CA TRP A 11 1.307 9.022 -6.060 1.00 0.00 C ATOM 151 C TRP A 11 0.318 10.188 -6.163 1.00 0.00 C ATOM 152 O TRP A 11 0.584 11.282 -5.666 1.00 0.00 O ATOM 153 CB TRP A 11 0.934 8.047 -4.917 1.00 0.00 C ATOM 154 CG TRP A 11 0.044 8.610 -3.838 1.00 0.00 C ATOM 155 CD1 TRP A 11 -1.114 8.054 -3.374 1.00 0.00 C ATOM 156 CD2 TRP A 11 0.219 9.835 -3.110 1.00 0.00 C ATOM 157 NE1 TRP A 11 -1.665 8.849 -2.400 1.00 0.00 N ATOM 158 CE2 TRP A 11 -0.867 9.947 -2.220 1.00 0.00 C ATOM 159 CE3 TRP A 11 1.189 10.841 -3.116 1.00 0.00 C ATOM 160 CZ2 TRP A 11 -1.010 11.025 -1.350 1.00 0.00 C ATOM 161 CZ3 TRP A 11 1.043 11.913 -2.255 1.00 0.00 C ATOM 162 CH2 TRP A 11 -0.048 11.996 -1.381 1.00 0.00 C ATOM 0 H TRP A 11 2.952 9.644 -4.912 1.00 0.00 H new ATOM 0 HA TRP A 11 1.256 8.458 -6.992 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.440 7.178 -5.353 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.854 7.691 -4.454 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.535 7.123 -3.723 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.528 8.654 -1.893 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.038 10.782 -3.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -1.851 11.092 -0.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.783 12.700 -2.257 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -0.131 12.844 -0.718 1.00 0.00 H new ATOM 173 N ASP A 12 -0.800 9.962 -6.839 1.00 0.00 N ATOM 174 CA ASP A 12 -1.808 11.003 -6.995 1.00 0.00 C ATOM 175 C ASP A 12 -2.823 10.949 -5.854 1.00 0.00 C ATOM 176 O ASP A 12 -3.254 9.870 -5.448 1.00 0.00 O ATOM 177 CB ASP A 12 -2.525 10.859 -8.338 1.00 0.00 C ATOM 178 CG ASP A 12 -1.588 10.441 -9.455 1.00 0.00 C ATOM 179 OD1 ASP A 12 -0.613 11.176 -9.718 1.00 0.00 O ATOM 180 OD2 ASP A 12 -1.831 9.380 -10.067 1.00 0.00 O ATOM 0 H ASP A 12 -1.032 9.075 -7.285 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.303 11.968 -6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.323 10.123 -8.243 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.995 11.807 -8.599 1.00 0.00 H new ATOM 185 N PRO A 13 -3.215 12.117 -5.316 1.00 0.00 N ATOM 186 CA PRO A 13 -4.174 12.197 -4.213 1.00 0.00 C ATOM 187 C PRO A 13 -5.617 12.071 -4.689 1.00 0.00 C ATOM 188 O PRO A 13 -6.494 11.643 -3.939 1.00 0.00 O ATOM 189 CB PRO A 13 -3.919 13.590 -3.643 1.00 0.00 C ATOM 190 CG PRO A 13 -3.478 14.399 -4.814 1.00 0.00 C ATOM 191 CD PRO A 13 -2.747 13.453 -5.735 1.00 0.00 C ATOM 0 HA PRO A 13 -4.045 11.390 -3.492 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.820 14.005 -3.191 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.155 13.567 -2.866 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.333 14.849 -5.319 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.827 15.215 -4.499 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.985 13.650 -6.780 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.666 13.549 -5.630 1.00 0.00 H new ATOM 199 N GLN A 14 -5.857 12.451 -5.940 1.00 0.00 N ATOM 200 CA GLN A 14 -7.194 12.381 -6.516 1.00 0.00 C ATOM 201 C GLN A 14 -7.382 11.085 -7.297 1.00 0.00 C ATOM 202 O GLN A 14 -8.433 10.448 -7.219 1.00 0.00 O ATOM 203 CB GLN A 14 -7.438 13.583 -7.432 1.00 0.00 C ATOM 204 CG GLN A 14 -7.618 14.892 -6.681 1.00 0.00 C ATOM 205 CD GLN A 14 -7.247 16.101 -7.517 1.00 0.00 C ATOM 206 OE1 GLN A 14 -8.116 16.814 -8.019 1.00 0.00 O ATOM 207 NE2 GLN A 14 -5.949 16.338 -7.670 1.00 0.00 N ATOM 0 H GLN A 14 -5.143 12.810 -6.574 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.917 12.400 -5.701 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.599 13.681 -8.121 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.326 13.395 -8.036 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.656 14.982 -6.359 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.005 14.876 -5.780 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.263 15.720 -7.236 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.638 17.138 -8.222 1.00 0.00 H new ATOM 216 N ASN A 15 -6.355 10.699 -8.046 1.00 0.00 N ATOM 217 CA ASN A 15 -6.402 9.475 -8.836 1.00 0.00 C ATOM 218 C ASN A 15 -5.917 8.282 -8.020 1.00 0.00 C ATOM 219 O ASN A 15 -6.299 7.141 -8.280 1.00 0.00 O ATOM 220 CB ASN A 15 -5.550 9.624 -10.098 1.00 0.00 C ATOM 221 CG ASN A 15 -5.902 10.868 -10.890 1.00 0.00 C ATOM 222 OD1 ASN A 15 -7.074 11.215 -11.035 1.00 0.00 O ATOM 223 ND2 ASN A 15 -4.885 11.546 -11.409 1.00 0.00 N ATOM 0 H ASN A 15 -5.479 11.217 -8.122 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.438 9.298 -9.124 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.497 9.660 -9.820 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.683 8.745 -10.729 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.060 12.391 -11.953 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.929 11.222 -11.264 1.00 0.00 H new ATOM 230 N GLY A 16 -5.070 8.553 -7.032 1.00 0.00 N ATOM 231 CA GLY A 16 -4.541 7.492 -6.195 1.00 0.00 C ATOM 232 C GLY A 16 -3.160 7.043 -6.633 1.00 0.00 C ATOM 233 O GLY A 16 -2.379 7.837 -7.158 1.00 0.00 O ATOM 0 H GLY A 16 -4.740 9.489 -6.796 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.497 7.836 -5.162 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.221 6.641 -6.219 1.00 0.00 H new ATOM 237 N PHE A 17 -2.860 5.767 -6.418 1.00 0.00 N ATOM 238 CA PHE A 17 -1.570 5.209 -6.796 1.00 0.00 C ATOM 239 C PHE A 17 -1.553 4.845 -8.277 1.00 0.00 C ATOM 240 O PHE A 17 -2.574 4.452 -8.841 1.00 0.00 O ATOM 241 CB PHE A 17 -1.270 3.971 -5.950 1.00 0.00 C ATOM 242 CG PHE A 17 -0.083 4.131 -5.043 1.00 0.00 C ATOM 243 CD1 PHE A 17 1.157 4.481 -5.555 1.00 0.00 C ATOM 244 CD2 PHE A 17 -0.207 3.930 -3.678 1.00 0.00 C ATOM 245 CE1 PHE A 17 2.249 4.628 -4.721 1.00 0.00 C ATOM 246 CE2 PHE A 17 0.882 4.076 -2.840 1.00 0.00 C ATOM 247 CZ PHE A 17 2.111 4.425 -3.362 1.00 0.00 C ATOM 0 H PHE A 17 -3.496 5.099 -5.982 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.802 5.961 -6.617 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.147 3.733 -5.348 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.098 3.122 -6.612 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.271 4.640 -6.617 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.166 3.656 -3.264 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.210 4.901 -5.132 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.771 3.917 -1.777 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.963 4.539 -2.709 1.00 0.00 H new ATOM 257 N ASP A 18 -0.390 4.983 -8.904 1.00 0.00 N ATOM 258 CA ASP A 18 -0.246 4.670 -10.322 1.00 0.00 C ATOM 259 C ASP A 18 -0.055 3.172 -10.534 1.00 0.00 C ATOM 260 O ASP A 18 0.938 2.740 -11.118 1.00 0.00 O ATOM 261 CB ASP A 18 0.940 5.433 -10.914 1.00 0.00 C ATOM 262 CG ASP A 18 0.664 5.932 -12.319 1.00 0.00 C ATOM 263 OD1 ASP A 18 -0.352 5.510 -12.910 1.00 0.00 O ATOM 264 OD2 ASP A 18 1.465 6.744 -12.828 1.00 0.00 O ATOM 0 H ASP A 18 0.466 5.309 -8.454 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.160 4.977 -10.830 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.181 6.280 -10.271 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.816 4.784 -10.927 1.00 0.00 H new ATOM 269 N VAL A 19 -1.013 2.384 -10.055 1.00 0.00 N ATOM 270 CA VAL A 19 -0.949 0.931 -10.191 1.00 0.00 C ATOM 271 C VAL A 19 -0.615 0.524 -11.623 1.00 0.00 C ATOM 272 O VAL A 19 -0.054 -0.546 -11.859 1.00 0.00 O ATOM 273 CB VAL A 19 -2.274 0.265 -9.773 1.00 0.00 C ATOM 274 CG1 VAL A 19 -2.376 0.186 -8.258 1.00 0.00 C ATOM 275 CG2 VAL A 19 -3.461 1.017 -10.357 1.00 0.00 C ATOM 0 H VAL A 19 -1.842 2.726 -9.570 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.156 0.589 -9.526 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.289 -0.750 -10.169 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.318 -0.287 -7.981 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.546 -0.403 -7.868 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.337 1.191 -7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.387 0.530 -10.050 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.454 2.045 -9.995 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.394 1.015 -11.445 1.00 0.00 H new ATOM 285 N ASN A 20 -0.955 1.387 -12.574 1.00 0.00 N ATOM 286 CA ASN A 20 -0.688 1.117 -13.982 1.00 0.00 C ATOM 287 C ASN A 20 0.803 1.231 -14.291 1.00 0.00 C ATOM 288 O ASN A 20 1.285 0.669 -15.274 1.00 0.00 O ATOM 289 CB ASN A 20 -1.477 2.085 -14.867 1.00 0.00 C ATOM 290 CG ASN A 20 -2.795 1.498 -15.334 1.00 0.00 C ATOM 291 OD1 ASN A 20 -3.049 1.389 -16.534 1.00 0.00 O ATOM 292 ND2 ASN A 20 -3.641 1.117 -14.385 1.00 0.00 N ATOM 0 H ASN A 20 -1.416 2.279 -12.396 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.006 0.096 -14.194 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.668 3.005 -14.314 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.874 2.353 -15.735 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.544 0.715 -14.638 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.388 1.226 -13.403 1.00 0.00 H new ATOM 299 N ASN A 21 1.529 1.964 -13.451 1.00 0.00 N ATOM 300 CA ASN A 21 2.963 2.150 -13.647 1.00 0.00 C ATOM 301 C ASN A 21 3.743 1.871 -12.364 1.00 0.00 C ATOM 302 O ASN A 21 4.876 2.325 -12.208 1.00 0.00 O ATOM 303 CB ASN A 21 3.251 3.573 -14.132 1.00 0.00 C ATOM 304 CG ASN A 21 2.559 3.889 -15.444 1.00 0.00 C ATOM 305 OD1 ASN A 21 1.338 3.783 -15.556 1.00 0.00 O ATOM 306 ND2 ASN A 21 3.339 4.280 -16.446 1.00 0.00 N ATOM 0 H ASN A 21 1.149 2.437 -12.631 1.00 0.00 H new ATOM 0 HA ASN A 21 3.290 1.437 -14.404 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.927 4.285 -13.373 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.327 3.702 -14.252 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.930 4.506 -17.353 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.347 4.354 -16.309 1.00 0.00 H new ATOM 313 N LEU A 22 3.135 1.119 -11.451 1.00 0.00 N ATOM 314 CA LEU A 22 3.790 0.770 -10.194 1.00 0.00 C ATOM 315 C LEU A 22 4.931 -0.213 -10.425 1.00 0.00 C ATOM 316 O LEU A 22 4.981 -0.892 -11.451 1.00 0.00 O ATOM 317 CB LEU A 22 2.785 0.179 -9.204 1.00 0.00 C ATOM 318 CG LEU A 22 1.946 1.206 -8.444 1.00 0.00 C ATOM 319 CD1 LEU A 22 1.051 0.515 -7.427 1.00 0.00 C ATOM 320 CD2 LEU A 22 2.845 2.225 -7.760 1.00 0.00 C ATOM 0 H LEU A 22 2.194 0.741 -11.557 1.00 0.00 H new ATOM 0 HA LEU A 22 4.203 1.686 -9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.113 -0.487 -9.745 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.326 -0.432 -8.481 1.00 0.00 H new ATOM 0 HG LEU A 22 1.312 1.731 -9.158 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.461 1.261 -6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.383 -0.177 -7.941 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.666 -0.035 -6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.232 2.949 -7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.504 1.715 -7.057 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.445 2.742 -8.509 1.00 0.00 H new ATOM 332 N ASP A 23 5.849 -0.279 -9.467 1.00 0.00 N ATOM 333 CA ASP A 23 6.995 -1.174 -9.566 1.00 0.00 C ATOM 334 C ASP A 23 6.625 -2.583 -9.105 1.00 0.00 C ATOM 335 O ASP A 23 5.901 -2.753 -8.125 1.00 0.00 O ATOM 336 CB ASP A 23 8.156 -0.640 -8.725 1.00 0.00 C ATOM 337 CG ASP A 23 9.476 -1.295 -9.076 1.00 0.00 C ATOM 338 OD1 ASP A 23 10.122 -0.848 -10.048 1.00 0.00 O ATOM 339 OD2 ASP A 23 9.867 -2.254 -8.378 1.00 0.00 O ATOM 0 H ASP A 23 5.821 0.277 -8.613 1.00 0.00 H new ATOM 0 HA ASP A 23 7.301 -1.221 -10.611 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.239 0.437 -8.869 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.942 -0.805 -7.669 1.00 0.00 H new ATOM 344 N PRO A 24 7.121 -3.616 -9.810 1.00 0.00 N ATOM 345 CA PRO A 24 6.829 -5.012 -9.472 1.00 0.00 C ATOM 346 C PRO A 24 7.203 -5.358 -8.035 1.00 0.00 C ATOM 347 O PRO A 24 6.732 -6.353 -7.485 1.00 0.00 O ATOM 348 CB PRO A 24 7.692 -5.812 -10.452 1.00 0.00 C ATOM 349 CG PRO A 24 7.950 -4.885 -11.586 1.00 0.00 C ATOM 350 CD PRO A 24 7.988 -3.505 -10.996 1.00 0.00 C ATOM 0 HA PRO A 24 5.763 -5.227 -9.548 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.623 -6.133 -9.986 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.176 -6.712 -10.788 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.893 -5.124 -12.078 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.167 -4.965 -12.340 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.002 -3.211 -10.726 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.616 -2.758 -11.697 1.00 0.00 H new ATOM 358 N ASP A 25 8.049 -4.532 -7.429 1.00 0.00 N ATOM 359 CA ASP A 25 8.480 -4.761 -6.056 1.00 0.00 C ATOM 360 C ASP A 25 7.431 -4.267 -5.066 1.00 0.00 C ATOM 361 O ASP A 25 6.933 -5.033 -4.242 1.00 0.00 O ATOM 362 CB ASP A 25 9.815 -4.061 -5.791 1.00 0.00 C ATOM 363 CG ASP A 25 10.938 -4.606 -6.651 1.00 0.00 C ATOM 364 OD1 ASP A 25 10.798 -4.588 -7.892 1.00 0.00 O ATOM 365 OD2 ASP A 25 11.958 -5.049 -6.083 1.00 0.00 O ATOM 0 H ASP A 25 8.448 -3.701 -7.865 1.00 0.00 H new ATOM 0 HA ASP A 25 8.608 -5.835 -5.919 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.705 -2.993 -5.978 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.079 -4.175 -4.740 1.00 0.00 H new ATOM 370 N LEU A 26 7.116 -2.979 -5.139 1.00 0.00 N ATOM 371 CA LEU A 26 6.128 -2.383 -4.247 1.00 0.00 C ATOM 372 C LEU A 26 4.718 -2.842 -4.599 1.00 0.00 C ATOM 373 O LEU A 26 3.895 -3.080 -3.716 1.00 0.00 O ATOM 374 CB LEU A 26 6.211 -0.858 -4.300 1.00 0.00 C ATOM 375 CG LEU A 26 5.752 -0.228 -5.615 1.00 0.00 C ATOM 376 CD1 LEU A 26 4.252 0.031 -5.587 1.00 0.00 C ATOM 377 CD2 LEU A 26 6.516 1.059 -5.877 1.00 0.00 C ATOM 0 H LEU A 26 7.530 -2.328 -5.806 1.00 0.00 H new ATOM 0 HA LEU A 26 6.351 -2.716 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.608 -0.449 -3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.242 -0.559 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 26 5.962 -0.924 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.943 0.480 -6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.723 -0.911 -5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.015 0.710 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.179 1.497 -6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.335 1.762 -5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.583 0.843 -5.939 1.00 0.00 H new ATOM 389 N ARG A 27 4.436 -2.953 -5.894 1.00 0.00 N ATOM 390 CA ARG A 27 3.119 -3.386 -6.344 1.00 0.00 C ATOM 391 C ARG A 27 2.821 -4.796 -5.845 1.00 0.00 C ATOM 392 O ARG A 27 1.683 -5.118 -5.506 1.00 0.00 O ATOM 393 CB ARG A 27 3.024 -3.324 -7.873 1.00 0.00 C ATOM 394 CG ARG A 27 3.734 -4.464 -8.587 1.00 0.00 C ATOM 395 CD ARG A 27 2.771 -5.585 -8.943 1.00 0.00 C ATOM 396 NE ARG A 27 3.062 -6.163 -10.251 1.00 0.00 N ATOM 397 CZ ARG A 27 2.177 -6.851 -10.967 1.00 0.00 C ATOM 398 NH1 ARG A 27 0.951 -7.044 -10.501 1.00 0.00 N ATOM 399 NH2 ARG A 27 2.519 -7.346 -12.148 1.00 0.00 N ATOM 0 H ARG A 27 5.097 -2.751 -6.644 1.00 0.00 H new ATOM 0 HA ARG A 27 2.374 -2.709 -5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.973 -3.328 -8.161 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.445 -2.378 -8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.207 -4.088 -9.494 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.529 -4.854 -7.951 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.825 -6.364 -8.183 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.751 -5.202 -8.935 1.00 0.00 H new ATOM 0 HE ARG A 27 3.997 -6.032 -10.638 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.685 -6.665 -9.592 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.273 -7.572 -11.051 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.462 -7.200 -12.509 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.839 -7.873 -12.696 1.00 0.00 H new ATOM 413 N SER A 28 3.855 -5.632 -5.800 1.00 0.00 N ATOM 414 CA SER A 28 3.710 -6.999 -5.320 1.00 0.00 C ATOM 415 C SER A 28 3.308 -7.011 -3.849 1.00 0.00 C ATOM 416 O SER A 28 2.532 -7.862 -3.413 1.00 0.00 O ATOM 417 CB SER A 28 5.017 -7.772 -5.511 1.00 0.00 C ATOM 418 OG SER A 28 4.897 -9.103 -5.040 1.00 0.00 O ATOM 0 H SER A 28 4.801 -5.385 -6.090 1.00 0.00 H new ATOM 0 HA SER A 28 2.925 -7.484 -5.900 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.287 -7.780 -6.567 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.823 -7.266 -4.979 1.00 0.00 H new ATOM 0 HG SER A 28 5.745 -9.575 -5.175 1.00 0.00 H new ATOM 424 N LEU A 29 3.842 -6.060 -3.088 1.00 0.00 N ATOM 425 CA LEU A 29 3.537 -5.954 -1.666 1.00 0.00 C ATOM 426 C LEU A 29 2.034 -5.810 -1.449 1.00 0.00 C ATOM 427 O LEU A 29 1.416 -6.623 -0.761 1.00 0.00 O ATOM 428 CB LEU A 29 4.279 -4.761 -1.053 1.00 0.00 C ATOM 429 CG LEU A 29 3.785 -4.317 0.327 1.00 0.00 C ATOM 430 CD1 LEU A 29 4.187 -5.327 1.389 1.00 0.00 C ATOM 431 CD2 LEU A 29 4.329 -2.938 0.667 1.00 0.00 C ATOM 0 H LEU A 29 4.489 -5.351 -3.434 1.00 0.00 H new ATOM 0 HA LEU A 29 3.870 -6.867 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.337 -5.013 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.201 -3.916 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 29 2.697 -4.262 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.827 -4.994 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.750 -6.297 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.273 -5.415 1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.969 -2.637 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.419 -2.968 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.990 -2.219 -0.079 1.00 0.00 H new ATOM 443 N PHE A 30 1.450 -4.775 -2.045 1.00 0.00 N ATOM 444 CA PHE A 30 0.017 -4.532 -1.922 1.00 0.00 C ATOM 445 C PHE A 30 -0.774 -5.796 -2.240 1.00 0.00 C ATOM 446 O PHE A 30 -1.738 -6.127 -1.550 1.00 0.00 O ATOM 447 CB PHE A 30 -0.410 -3.395 -2.854 1.00 0.00 C ATOM 448 CG PHE A 30 0.441 -2.164 -2.724 1.00 0.00 C ATOM 449 CD1 PHE A 30 0.974 -1.802 -1.497 1.00 0.00 C ATOM 450 CD2 PHE A 30 0.711 -1.371 -3.828 1.00 0.00 C ATOM 451 CE1 PHE A 30 1.759 -0.672 -1.373 1.00 0.00 C ATOM 452 CE2 PHE A 30 1.496 -0.239 -3.710 1.00 0.00 C ATOM 453 CZ PHE A 30 2.020 0.111 -2.480 1.00 0.00 C ATOM 0 H PHE A 30 1.946 -4.092 -2.617 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.194 -4.243 -0.892 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.372 -3.747 -3.885 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.447 -3.134 -2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.773 -2.410 -0.628 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.304 -1.640 -4.791 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.168 -0.401 -0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.699 0.371 -4.578 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.633 0.995 -2.385 1.00 0.00 H new ATOM 463 N SER A 31 -0.349 -6.508 -3.279 1.00 0.00 N ATOM 464 CA SER A 31 -1.003 -7.750 -3.672 1.00 0.00 C ATOM 465 C SER A 31 -0.918 -8.778 -2.550 1.00 0.00 C ATOM 466 O SER A 31 -1.920 -9.386 -2.173 1.00 0.00 O ATOM 467 CB SER A 31 -0.363 -8.310 -4.944 1.00 0.00 C ATOM 468 OG SER A 31 0.441 -7.334 -5.584 1.00 0.00 O ATOM 0 H SER A 31 0.445 -6.246 -3.863 1.00 0.00 H new ATOM 0 HA SER A 31 -2.053 -7.536 -3.871 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.245 -9.180 -4.696 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.142 -8.649 -5.627 1.00 0.00 H new ATOM 0 HG SER A 31 0.827 -7.713 -6.401 1.00 0.00 H new ATOM 474 N ARG A 32 0.286 -8.963 -2.016 1.00 0.00 N ATOM 475 CA ARG A 32 0.502 -9.908 -0.928 1.00 0.00 C ATOM 476 C ARG A 32 -0.371 -9.555 0.271 1.00 0.00 C ATOM 477 O ARG A 32 -0.821 -10.434 1.006 1.00 0.00 O ATOM 478 CB ARG A 32 1.976 -9.914 -0.517 1.00 0.00 C ATOM 479 CG ARG A 32 2.829 -10.879 -1.325 1.00 0.00 C ATOM 480 CD ARG A 32 4.097 -10.213 -1.832 1.00 0.00 C ATOM 481 NE ARG A 32 5.116 -11.189 -2.207 1.00 0.00 N ATOM 482 CZ ARG A 32 5.074 -11.904 -3.326 1.00 0.00 C ATOM 483 NH1 ARG A 32 4.069 -11.751 -4.177 1.00 0.00 N ATOM 484 NH2 ARG A 32 6.038 -12.773 -3.596 1.00 0.00 N ATOM 0 H ARG A 32 1.126 -8.470 -2.320 1.00 0.00 H new ATOM 0 HA ARG A 32 0.227 -10.903 -1.278 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.379 -8.907 -0.626 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.049 -10.174 0.539 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.090 -11.739 -0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.252 -11.256 -2.170 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.859 -9.589 -2.693 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.494 -9.554 -1.060 1.00 0.00 H new ATOM 0 HE ARG A 32 5.904 -11.330 -1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.326 -11.083 -3.973 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.039 -12.301 -5.035 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.813 -12.893 -2.944 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.004 -13.321 -4.455 1.00 0.00 H new ATOM 498 N ALA A 33 -0.612 -8.261 0.456 1.00 0.00 N ATOM 499 CA ALA A 33 -1.435 -7.786 1.561 1.00 0.00 C ATOM 500 C ALA A 33 -2.928 -7.870 1.233 1.00 0.00 C ATOM 501 O ALA A 33 -3.766 -7.427 2.019 1.00 0.00 O ATOM 502 CB ALA A 33 -1.055 -6.358 1.920 1.00 0.00 C ATOM 0 H ALA A 33 -0.248 -7.522 -0.146 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.248 -8.435 2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.676 -6.013 2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.006 -6.324 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.210 -5.712 1.056 1.00 0.00 H new ATOM 508 N GLY A 34 -3.261 -8.437 0.073 1.00 0.00 N ATOM 509 CA GLY A 34 -4.653 -8.562 -0.317 1.00 0.00 C ATOM 510 C GLY A 34 -5.267 -7.240 -0.739 1.00 0.00 C ATOM 511 O GLY A 34 -6.490 -7.107 -0.794 1.00 0.00 O ATOM 0 H GLY A 34 -2.592 -8.810 -0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.733 -9.273 -1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.223 -8.973 0.516 1.00 0.00 H new ATOM 515 N ILE A 35 -4.421 -6.258 -1.036 1.00 0.00 N ATOM 516 CA ILE A 35 -4.893 -4.944 -1.458 1.00 0.00 C ATOM 517 C ILE A 35 -5.125 -4.903 -2.965 1.00 0.00 C ATOM 518 O ILE A 35 -4.204 -5.126 -3.751 1.00 0.00 O ATOM 519 CB ILE A 35 -3.896 -3.837 -1.069 1.00 0.00 C ATOM 520 CG1 ILE A 35 -3.562 -3.927 0.422 1.00 0.00 C ATOM 521 CG2 ILE A 35 -4.462 -2.466 -1.407 1.00 0.00 C ATOM 522 CD1 ILE A 35 -2.503 -2.943 0.867 1.00 0.00 C ATOM 0 H ILE A 35 -3.406 -6.348 -0.992 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.837 -4.765 -0.944 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.979 -3.978 -1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.470 -3.756 1.000 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.225 -4.938 0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.744 -1.696 -1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.656 -2.406 -2.478 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.392 -2.312 -0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.319 -3.065 1.934 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.581 -3.127 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.846 -1.927 0.672 1.00 0.00 H new ATOM 534 N SER A 36 -6.361 -4.618 -3.361 1.00 0.00 N ATOM 535 CA SER A 36 -6.716 -4.553 -4.774 1.00 0.00 C ATOM 536 C SER A 36 -6.452 -3.162 -5.340 1.00 0.00 C ATOM 537 O SER A 36 -6.405 -2.178 -4.601 1.00 0.00 O ATOM 538 CB SER A 36 -8.187 -4.923 -4.970 1.00 0.00 C ATOM 539 OG SER A 36 -9.037 -3.840 -4.632 1.00 0.00 O ATOM 0 H SER A 36 -7.134 -4.428 -2.723 1.00 0.00 H new ATOM 0 HA SER A 36 -6.093 -5.268 -5.311 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.357 -5.212 -6.007 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.433 -5.788 -4.354 1.00 0.00 H new ATOM 0 HG SER A 36 -8.944 -3.636 -3.678 1.00 0.00 H new ATOM 545 N GLU A 37 -6.282 -3.087 -6.657 1.00 0.00 N ATOM 546 CA GLU A 37 -6.024 -1.816 -7.323 1.00 0.00 C ATOM 547 C GLU A 37 -7.082 -0.782 -6.951 1.00 0.00 C ATOM 548 O GLU A 37 -6.790 0.409 -6.846 1.00 0.00 O ATOM 549 CB GLU A 37 -5.995 -2.006 -8.840 1.00 0.00 C ATOM 550 CG GLU A 37 -4.593 -2.159 -9.407 1.00 0.00 C ATOM 551 CD GLU A 37 -4.380 -3.497 -10.086 1.00 0.00 C ATOM 552 OE1 GLU A 37 -5.371 -4.082 -10.571 1.00 0.00 O ATOM 553 OE2 GLU A 37 -3.221 -3.961 -10.133 1.00 0.00 O ATOM 0 H GLU A 37 -6.318 -3.891 -7.283 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.052 -1.453 -6.990 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.581 -2.888 -9.099 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.479 -1.152 -9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.406 -1.359 -10.123 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.866 -2.044 -8.603 1.00 0.00 H new ATOM 560 N ALA A 38 -8.312 -1.245 -6.750 1.00 0.00 N ATOM 561 CA ALA A 38 -9.410 -0.358 -6.385 1.00 0.00 C ATOM 562 C ALA A 38 -9.052 0.464 -5.153 1.00 0.00 C ATOM 563 O ALA A 38 -9.425 1.631 -5.041 1.00 0.00 O ATOM 564 CB ALA A 38 -10.679 -1.159 -6.141 1.00 0.00 C ATOM 0 H ALA A 38 -8.573 -2.228 -6.834 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.587 0.328 -7.213 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.490 -0.483 -5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.947 -1.701 -7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.511 -1.868 -5.331 1.00 0.00 H new ATOM 570 N GLN A 39 -8.321 -0.155 -4.231 1.00 0.00 N ATOM 571 CA GLN A 39 -7.893 0.523 -3.015 1.00 0.00 C ATOM 572 C GLN A 39 -6.699 1.426 -3.299 1.00 0.00 C ATOM 573 O GLN A 39 -6.571 2.506 -2.723 1.00 0.00 O ATOM 574 CB GLN A 39 -7.533 -0.499 -1.936 1.00 0.00 C ATOM 575 CG GLN A 39 -8.742 -1.082 -1.223 1.00 0.00 C ATOM 576 CD GLN A 39 -8.718 -2.597 -1.175 1.00 0.00 C ATOM 577 OE1 GLN A 39 -8.898 -3.264 -2.194 1.00 0.00 O ATOM 578 NE2 GLN A 39 -8.493 -3.148 0.012 1.00 0.00 N ATOM 0 H GLN A 39 -8.013 -1.125 -4.304 1.00 0.00 H new ATOM 0 HA GLN A 39 -8.718 1.139 -2.656 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.964 -1.310 -2.391 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.882 -0.025 -1.201 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.783 -0.691 -0.206 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.650 -0.753 -1.728 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.349 -2.556 0.830 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.464 -4.163 0.106 1.00 0.00 H new ATOM 587 N LEU A 40 -5.833 0.983 -4.204 1.00 0.00 N ATOM 588 CA LEU A 40 -4.657 1.758 -4.577 1.00 0.00 C ATOM 589 C LEU A 40 -5.056 2.993 -5.378 1.00 0.00 C ATOM 590 O LEU A 40 -4.334 3.988 -5.403 1.00 0.00 O ATOM 591 CB LEU A 40 -3.691 0.897 -5.394 1.00 0.00 C ATOM 592 CG LEU A 40 -2.970 -0.195 -4.603 1.00 0.00 C ATOM 593 CD1 LEU A 40 -2.276 -1.166 -5.546 1.00 0.00 C ATOM 594 CD2 LEU A 40 -1.969 0.419 -3.635 1.00 0.00 C ATOM 0 H LEU A 40 -5.924 0.092 -4.692 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.159 2.082 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.245 0.429 -6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.944 1.548 -5.849 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.711 -0.748 -4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.768 -1.936 -4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.015 -1.631 -6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.547 -0.627 -6.151 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.466 -0.373 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.232 0.997 -4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.492 1.074 -2.938 1.00 0.00 H new ATOM 606 N THR A 41 -6.217 2.924 -6.024 1.00 0.00 N ATOM 607 CA THR A 41 -6.716 4.037 -6.822 1.00 0.00 C ATOM 608 C THR A 41 -7.695 4.904 -6.027 1.00 0.00 C ATOM 609 O THR A 41 -8.097 5.973 -6.486 1.00 0.00 O ATOM 610 CB THR A 41 -7.397 3.512 -8.088 1.00 0.00 C ATOM 611 OG1 THR A 41 -8.575 2.795 -7.762 1.00 0.00 O ATOM 612 CG2 THR A 41 -6.513 2.598 -8.908 1.00 0.00 C ATOM 0 H THR A 41 -6.829 2.108 -6.010 1.00 0.00 H new ATOM 0 HA THR A 41 -5.863 4.657 -7.097 1.00 0.00 H new ATOM 0 HB THR A 41 -7.625 4.397 -8.682 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.552 2.541 -6.816 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.057 2.262 -9.791 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.618 3.138 -9.217 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.226 1.735 -8.308 1.00 0.00 H new ATOM 620 N ASP A 42 -8.070 4.449 -4.832 1.00 0.00 N ATOM 621 CA ASP A 42 -8.993 5.198 -3.987 1.00 0.00 C ATOM 622 C ASP A 42 -8.257 6.294 -3.226 1.00 0.00 C ATOM 623 O ASP A 42 -7.298 6.023 -2.508 1.00 0.00 O ATOM 624 CB ASP A 42 -9.692 4.259 -3.002 1.00 0.00 C ATOM 625 CG ASP A 42 -10.992 4.832 -2.475 1.00 0.00 C ATOM 626 OD1 ASP A 42 -12.002 4.789 -3.209 1.00 0.00 O ATOM 627 OD2 ASP A 42 -11.002 5.323 -1.326 1.00 0.00 O ATOM 0 H ASP A 42 -7.749 3.568 -4.430 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.742 5.662 -4.628 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -9.891 3.306 -3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.024 4.053 -2.165 1.00 0.00 H new ATOM 632 N ALA A 43 -8.703 7.532 -3.397 1.00 0.00 N ATOM 633 CA ALA A 43 -8.073 8.670 -2.735 1.00 0.00 C ATOM 634 C ALA A 43 -7.924 8.436 -1.234 1.00 0.00 C ATOM 635 O ALA A 43 -6.934 8.847 -0.630 1.00 0.00 O ATOM 636 CB ALA A 43 -8.873 9.937 -2.994 1.00 0.00 C ATOM 0 H ALA A 43 -9.498 7.775 -3.988 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.073 8.786 -3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.393 10.779 -2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.916 10.127 -4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.884 9.814 -2.607 1.00 0.00 H new ATOM 642 N GLU A 44 -8.917 7.787 -0.634 1.00 0.00 N ATOM 643 CA GLU A 44 -8.900 7.527 0.802 1.00 0.00 C ATOM 644 C GLU A 44 -7.877 6.454 1.165 1.00 0.00 C ATOM 645 O GLU A 44 -6.947 6.703 1.933 1.00 0.00 O ATOM 646 CB GLU A 44 -10.290 7.100 1.278 1.00 0.00 C ATOM 647 CG GLU A 44 -10.332 6.691 2.741 1.00 0.00 C ATOM 648 CD GLU A 44 -11.747 6.557 3.269 1.00 0.00 C ATOM 649 OE1 GLU A 44 -12.426 5.575 2.902 1.00 0.00 O ATOM 650 OE2 GLU A 44 -12.176 7.434 4.047 1.00 0.00 O ATOM 0 H GLU A 44 -9.742 7.432 -1.118 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.613 8.452 1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.988 7.922 1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.634 6.266 0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.811 5.742 2.864 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.794 7.429 3.336 1.00 0.00 H new ATOM 657 N THR A 45 -8.053 5.260 0.608 1.00 0.00 N ATOM 658 CA THR A 45 -7.151 4.149 0.888 1.00 0.00 C ATOM 659 C THR A 45 -5.761 4.421 0.327 1.00 0.00 C ATOM 660 O THR A 45 -4.760 3.957 0.868 1.00 0.00 O ATOM 661 CB THR A 45 -7.711 2.853 0.302 1.00 0.00 C ATOM 662 OG1 THR A 45 -9.127 2.861 0.330 1.00 0.00 O ATOM 663 CG2 THR A 45 -7.243 1.614 1.032 1.00 0.00 C ATOM 0 H THR A 45 -8.810 5.037 -0.038 1.00 0.00 H new ATOM 0 HA THR A 45 -7.068 4.043 1.970 1.00 0.00 H new ATOM 0 HB THR A 45 -7.337 2.814 -0.721 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.466 2.024 -0.051 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.678 0.730 0.565 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.156 1.552 0.984 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.558 1.665 2.074 1.00 0.00 H new ATOM 671 N SER A 46 -5.702 5.185 -0.756 1.00 0.00 N ATOM 672 CA SER A 46 -4.429 5.530 -1.371 1.00 0.00 C ATOM 673 C SER A 46 -3.544 6.275 -0.380 1.00 0.00 C ATOM 674 O SER A 46 -2.352 5.996 -0.265 1.00 0.00 O ATOM 675 CB SER A 46 -4.654 6.392 -2.616 1.00 0.00 C ATOM 676 OG SER A 46 -5.414 7.547 -2.306 1.00 0.00 O ATOM 0 H SER A 46 -6.519 5.576 -1.225 1.00 0.00 H new ATOM 0 HA SER A 46 -3.930 4.607 -1.665 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.693 6.687 -3.036 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.169 5.808 -3.378 1.00 0.00 H new ATOM 0 HG SER A 46 -5.064 8.313 -2.807 1.00 0.00 H new ATOM 682 N LYS A 47 -4.147 7.216 0.342 1.00 0.00 N ATOM 683 CA LYS A 47 -3.427 8.019 1.326 1.00 0.00 C ATOM 684 C LYS A 47 -2.816 7.149 2.421 1.00 0.00 C ATOM 685 O LYS A 47 -1.629 7.265 2.725 1.00 0.00 O ATOM 686 CB LYS A 47 -4.377 9.053 1.945 1.00 0.00 C ATOM 687 CG LYS A 47 -3.794 9.814 3.129 1.00 0.00 C ATOM 688 CD LYS A 47 -2.976 11.012 2.675 1.00 0.00 C ATOM 689 CE LYS A 47 -3.373 12.273 3.425 1.00 0.00 C ATOM 690 NZ LYS A 47 -2.883 13.502 2.743 1.00 0.00 N ATOM 0 H LYS A 47 -5.139 7.442 0.263 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.612 8.530 0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.666 9.769 1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.287 8.546 2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.601 10.149 3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.166 9.146 3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.916 10.812 2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.115 11.165 1.605 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.458 12.316 3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.971 12.235 4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.174 14.340 3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.845 13.474 2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.287 13.552 1.786 1.00 0.00 H new ATOM 704 N LEU A 48 -3.637 6.309 3.042 1.00 0.00 N ATOM 705 CA LEU A 48 -3.167 5.456 4.129 1.00 0.00 C ATOM 706 C LEU A 48 -2.153 4.427 3.634 1.00 0.00 C ATOM 707 O LEU A 48 -1.241 4.045 4.367 1.00 0.00 O ATOM 708 CB LEU A 48 -4.348 4.754 4.811 1.00 0.00 C ATOM 709 CG LEU A 48 -4.895 3.526 4.080 1.00 0.00 C ATOM 710 CD1 LEU A 48 -4.084 2.289 4.432 1.00 0.00 C ATOM 711 CD2 LEU A 48 -6.364 3.315 4.417 1.00 0.00 C ATOM 0 H LEU A 48 -4.625 6.200 2.814 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.667 6.094 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.040 4.452 5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.157 5.475 4.930 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.809 3.699 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.488 1.426 3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.045 2.440 4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.137 2.113 5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.736 2.437 3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.473 3.165 5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.936 4.191 4.113 1.00 0.00 H new ATOM 723 N ILE A 49 -2.322 3.969 2.397 1.00 0.00 N ATOM 724 CA ILE A 49 -1.425 2.967 1.829 1.00 0.00 C ATOM 725 C ILE A 49 -0.024 3.534 1.582 1.00 0.00 C ATOM 726 O ILE A 49 0.947 3.080 2.185 1.00 0.00 O ATOM 727 CB ILE A 49 -1.997 2.378 0.517 1.00 0.00 C ATOM 728 CG1 ILE A 49 -3.278 1.595 0.814 1.00 0.00 C ATOM 729 CG2 ILE A 49 -0.981 1.473 -0.174 1.00 0.00 C ATOM 730 CD1 ILE A 49 -4.170 1.413 -0.394 1.00 0.00 C ATOM 0 H ILE A 49 -3.068 4.274 1.771 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.343 2.166 2.564 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.224 3.205 -0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.011 0.615 1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.837 2.112 1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.413 1.075 -1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.086 2.047 -0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.717 0.649 0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.058 0.850 -0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.467 2.389 -0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.628 0.869 -1.168 1.00 0.00 H new ATOM 742 N TYR A 50 0.087 4.510 0.682 1.00 0.00 N ATOM 743 CA TYR A 50 1.391 5.083 0.358 1.00 0.00 C ATOM 744 C TYR A 50 2.112 5.527 1.632 1.00 0.00 C ATOM 745 O TYR A 50 3.330 5.390 1.748 1.00 0.00 O ATOM 746 CB TYR A 50 1.253 6.240 -0.650 1.00 0.00 C ATOM 747 CG TYR A 50 1.088 7.617 -0.039 1.00 0.00 C ATOM 748 CD1 TYR A 50 -0.082 7.976 0.612 1.00 0.00 C ATOM 749 CD2 TYR A 50 2.105 8.558 -0.128 1.00 0.00 C ATOM 750 CE1 TYR A 50 -0.234 9.233 1.165 1.00 0.00 C ATOM 751 CE2 TYR A 50 1.963 9.817 0.422 1.00 0.00 C ATOM 752 CZ TYR A 50 0.791 10.150 1.067 1.00 0.00 C ATOM 753 OH TYR A 50 0.644 11.403 1.616 1.00 0.00 O ATOM 0 H TYR A 50 -0.698 4.915 0.171 1.00 0.00 H new ATOM 0 HA TYR A 50 1.998 4.312 -0.117 1.00 0.00 H new ATOM 0 HB2 TYR A 50 2.135 6.248 -1.291 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.395 6.040 -1.292 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.888 7.261 0.688 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.023 8.301 -0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.151 9.496 1.671 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.765 10.536 0.347 1.00 0.00 H new ATOM 0 HH TYR A 50 0.352 12.032 0.923 1.00 0.00 H new ATOM 763 N ASP A 51 1.346 6.044 2.589 1.00 0.00 N ATOM 764 CA ASP A 51 1.905 6.480 3.863 1.00 0.00 C ATOM 765 C ASP A 51 2.672 5.344 4.526 1.00 0.00 C ATOM 766 O ASP A 51 3.664 5.572 5.219 1.00 0.00 O ATOM 767 CB ASP A 51 0.795 6.975 4.792 1.00 0.00 C ATOM 768 CG ASP A 51 0.418 8.419 4.527 1.00 0.00 C ATOM 769 OD1 ASP A 51 1.227 9.140 3.905 1.00 0.00 O ATOM 770 OD2 ASP A 51 -0.686 8.831 4.943 1.00 0.00 O ATOM 0 H ASP A 51 0.337 6.171 2.505 1.00 0.00 H new ATOM 0 HA ASP A 51 2.595 7.302 3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.086 6.344 4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.119 6.872 5.828 1.00 0.00 H new ATOM 775 N PHE A 52 2.210 4.116 4.306 1.00 0.00 N ATOM 776 CA PHE A 52 2.871 2.946 4.866 1.00 0.00 C ATOM 777 C PHE A 52 4.265 2.795 4.268 1.00 0.00 C ATOM 778 O PHE A 52 5.228 2.502 4.976 1.00 0.00 O ATOM 779 CB PHE A 52 2.043 1.683 4.607 1.00 0.00 C ATOM 780 CG PHE A 52 2.746 0.410 4.986 1.00 0.00 C ATOM 781 CD1 PHE A 52 2.696 -0.065 6.287 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.455 -0.312 4.040 1.00 0.00 C ATOM 783 CE1 PHE A 52 3.344 -1.234 6.637 1.00 0.00 C ATOM 784 CE2 PHE A 52 4.104 -1.482 4.384 1.00 0.00 C ATOM 785 CZ PHE A 52 4.048 -1.944 5.684 1.00 0.00 C ATOM 0 H PHE A 52 1.383 3.908 3.746 1.00 0.00 H new ATOM 0 HA PHE A 52 2.962 3.082 5.944 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.109 1.751 5.164 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.781 1.642 3.550 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.144 0.485 7.035 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.501 0.044 3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.300 -1.592 7.655 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.654 -2.035 3.637 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.554 -2.859 5.955 1.00 0.00 H new ATOM 795 N ILE A 53 4.367 3.018 2.961 1.00 0.00 N ATOM 796 CA ILE A 53 5.649 2.939 2.274 1.00 0.00 C ATOM 797 C ILE A 53 6.667 3.854 2.944 1.00 0.00 C ATOM 798 O ILE A 53 7.871 3.600 2.902 1.00 0.00 O ATOM 799 CB ILE A 53 5.521 3.326 0.788 1.00 0.00 C ATOM 800 CG1 ILE A 53 4.507 2.417 0.089 1.00 0.00 C ATOM 801 CG2 ILE A 53 6.876 3.249 0.097 1.00 0.00 C ATOM 802 CD1 ILE A 53 4.462 2.600 -1.413 1.00 0.00 C ATOM 0 H ILE A 53 3.578 3.254 2.359 1.00 0.00 H new ATOM 0 HA ILE A 53 5.986 1.904 2.335 1.00 0.00 H new ATOM 0 HB ILE A 53 5.165 4.354 0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.749 1.378 0.313 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.516 2.609 0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.766 3.526 -0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.571 3.934 0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.262 2.232 0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.722 1.924 -1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.190 3.629 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.442 2.379 -1.836 1.00 0.00 H new ATOM 814 N GLU A 54 6.171 4.917 3.569 1.00 0.00 N ATOM 815 CA GLU A 54 7.029 5.865 4.264 1.00 0.00 C ATOM 816 C GLU A 54 7.565 5.257 5.553 1.00 0.00 C ATOM 817 O GLU A 54 8.711 5.497 5.934 1.00 0.00 O ATOM 818 CB GLU A 54 6.259 7.152 4.570 1.00 0.00 C ATOM 819 CG GLU A 54 7.085 8.196 5.305 1.00 0.00 C ATOM 820 CD GLU A 54 6.334 8.826 6.462 1.00 0.00 C ATOM 821 OE1 GLU A 54 6.021 8.102 7.431 1.00 0.00 O ATOM 822 OE2 GLU A 54 6.058 10.042 6.398 1.00 0.00 O ATOM 0 H GLU A 54 5.177 5.142 3.607 1.00 0.00 H new ATOM 0 HA GLU A 54 7.872 6.104 3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.897 7.580 3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.382 6.907 5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.999 7.734 5.679 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.385 8.975 4.604 1.00 0.00 H new ATOM 829 N ASP A 55 6.736 4.457 6.215 1.00 0.00 N ATOM 830 CA ASP A 55 7.142 3.806 7.454 1.00 0.00 C ATOM 831 C ASP A 55 8.139 2.683 7.170 1.00 0.00 C ATOM 832 O ASP A 55 8.946 2.322 8.027 1.00 0.00 O ATOM 833 CB ASP A 55 5.915 3.268 8.210 1.00 0.00 C ATOM 834 CG ASP A 55 5.391 1.954 7.656 1.00 0.00 C ATOM 835 OD1 ASP A 55 6.155 0.965 7.643 1.00 0.00 O ATOM 836 OD2 ASP A 55 4.212 1.910 7.252 1.00 0.00 O ATOM 0 H ASP A 55 5.784 4.245 5.916 1.00 0.00 H new ATOM 0 HA ASP A 55 7.634 4.546 8.086 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.175 3.133 9.260 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.120 4.012 8.172 1.00 0.00 H new ATOM 841 N GLN A 56 8.075 2.138 5.958 1.00 0.00 N ATOM 842 CA GLN A 56 8.970 1.061 5.554 1.00 0.00 C ATOM 843 C GLN A 56 10.294 1.605 5.020 1.00 0.00 C ATOM 844 O GLN A 56 11.104 0.854 4.477 1.00 0.00 O ATOM 845 CB GLN A 56 8.299 0.198 4.485 1.00 0.00 C ATOM 846 CG GLN A 56 7.041 -0.500 4.972 1.00 0.00 C ATOM 847 CD GLN A 56 7.343 -1.692 5.858 1.00 0.00 C ATOM 848 OE1 GLN A 56 8.110 -2.580 5.484 1.00 0.00 O ATOM 849 NE2 GLN A 56 6.742 -1.718 7.042 1.00 0.00 N ATOM 0 H GLN A 56 7.411 2.426 5.239 1.00 0.00 H new ATOM 0 HA GLN A 56 9.183 0.455 6.435 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.049 0.824 3.628 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.009 -0.552 4.136 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.425 0.211 5.523 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.457 -0.829 4.113 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.114 -0.961 7.312 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.909 -2.495 7.682 1.00 0.00 H new ATOM 858 N GLY A 57 10.514 2.910 5.176 1.00 0.00 N ATOM 859 CA GLY A 57 11.740 3.516 4.694 1.00 0.00 C ATOM 860 C GLY A 57 11.566 4.188 3.343 1.00 0.00 C ATOM 861 O GLY A 57 12.547 4.482 2.659 1.00 0.00 O ATOM 0 H GLY A 57 9.865 3.555 5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.087 4.251 5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.514 2.752 4.619 1.00 0.00 H new ATOM 865 N GLY A 58 10.315 4.432 2.959 1.00 0.00 N ATOM 866 CA GLY A 58 10.040 5.086 1.693 1.00 0.00 C ATOM 867 C GLY A 58 10.038 4.125 0.520 1.00 0.00 C ATOM 868 O GLY A 58 10.408 2.959 0.659 1.00 0.00 O ATOM 0 H GLY A 58 9.488 4.188 3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.072 5.584 1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.787 5.861 1.520 1.00 0.00 H new ATOM 872 N LEU A 59 9.619 4.622 -0.640 1.00 0.00 N ATOM 873 CA LEU A 59 9.565 3.814 -1.854 1.00 0.00 C ATOM 874 C LEU A 59 10.877 3.063 -2.070 1.00 0.00 C ATOM 875 O LEU A 59 10.878 1.892 -2.451 1.00 0.00 O ATOM 876 CB LEU A 59 9.256 4.710 -3.062 1.00 0.00 C ATOM 877 CG LEU A 59 9.626 4.132 -4.434 1.00 0.00 C ATOM 878 CD1 LEU A 59 8.976 2.773 -4.633 1.00 0.00 C ATOM 879 CD2 LEU A 59 9.219 5.091 -5.541 1.00 0.00 C ATOM 0 H LEU A 59 9.310 5.586 -0.765 1.00 0.00 H new ATOM 0 HA LEU A 59 8.770 3.076 -1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.190 4.936 -3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.783 5.656 -2.933 1.00 0.00 H new ATOM 0 HG LEU A 59 10.707 4.001 -4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.250 2.379 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.319 2.089 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.892 2.876 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.489 4.666 -6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.142 5.254 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.734 6.042 -5.406 1.00 0.00 H new ATOM 891 N GLU A 60 11.991 3.748 -1.840 1.00 0.00 N ATOM 892 CA GLU A 60 13.306 3.152 -2.035 1.00 0.00 C ATOM 893 C GLU A 60 13.525 1.985 -1.079 1.00 0.00 C ATOM 894 O GLU A 60 14.176 1.001 -1.429 1.00 0.00 O ATOM 895 CB GLU A 60 14.396 4.206 -1.834 1.00 0.00 C ATOM 896 CG GLU A 60 14.520 5.178 -2.995 1.00 0.00 C ATOM 897 CD GLU A 60 15.323 4.611 -4.148 1.00 0.00 C ATOM 898 OE1 GLU A 60 16.569 4.602 -4.057 1.00 0.00 O ATOM 899 OE2 GLU A 60 14.707 4.174 -5.143 1.00 0.00 O ATOM 0 H GLU A 60 12.009 4.716 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 60 13.359 2.772 -3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.186 4.766 -0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.353 3.705 -1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.524 5.445 -3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.992 6.097 -2.646 1.00 0.00 H new ATOM 906 N ALA A 61 12.974 2.098 0.124 1.00 0.00 N ATOM 907 CA ALA A 61 13.112 1.049 1.128 1.00 0.00 C ATOM 908 C ALA A 61 12.254 -0.164 0.785 1.00 0.00 C ATOM 909 O ALA A 61 12.620 -1.299 1.088 1.00 0.00 O ATOM 910 CB ALA A 61 12.747 1.583 2.502 1.00 0.00 C ATOM 0 H ALA A 61 12.428 2.904 0.428 1.00 0.00 H new ATOM 0 HA ALA A 61 14.154 0.729 1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.855 0.789 3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.409 2.410 2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.715 1.934 2.494 1.00 0.00 H new ATOM 916 N VAL A 62 11.108 0.080 0.155 1.00 0.00 N ATOM 917 CA VAL A 62 10.204 -1.001 -0.224 1.00 0.00 C ATOM 918 C VAL A 62 10.848 -1.895 -1.276 1.00 0.00 C ATOM 919 O VAL A 62 11.110 -3.071 -1.031 1.00 0.00 O ATOM 920 CB VAL A 62 8.867 -0.458 -0.760 1.00 0.00 C ATOM 921 CG1 VAL A 62 7.894 -1.597 -1.024 1.00 0.00 C ATOM 922 CG2 VAL A 62 8.275 0.545 0.218 1.00 0.00 C ATOM 0 H VAL A 62 10.785 1.012 -0.103 1.00 0.00 H new ATOM 0 HA VAL A 62 10.004 -1.585 0.674 1.00 0.00 H new ATOM 0 HB VAL A 62 9.052 0.053 -1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.955 -1.193 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.320 -2.276 -1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.708 -2.139 -0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.330 0.921 -0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.102 0.059 1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.968 1.375 0.352 1.00 0.00 H new ATOM 932 N ARG A 63 11.124 -1.333 -2.444 1.00 0.00 N ATOM 933 CA ARG A 63 11.787 -2.092 -3.499 1.00 0.00 C ATOM 934 C ARG A 63 13.082 -2.702 -2.968 1.00 0.00 C ATOM 935 O ARG A 63 13.438 -3.831 -3.307 1.00 0.00 O ATOM 936 CB ARG A 63 12.075 -1.219 -4.728 1.00 0.00 C ATOM 937 CG ARG A 63 12.289 0.253 -4.414 1.00 0.00 C ATOM 938 CD ARG A 63 13.126 0.937 -5.483 1.00 0.00 C ATOM 939 NE ARG A 63 12.413 1.045 -6.752 1.00 0.00 N ATOM 940 CZ ARG A 63 12.888 1.693 -7.811 1.00 0.00 C ATOM 941 NH1 ARG A 63 14.072 2.286 -7.752 1.00 0.00 N ATOM 942 NH2 ARG A 63 12.179 1.746 -8.931 1.00 0.00 N ATOM 0 H ARG A 63 10.903 -0.367 -2.685 1.00 0.00 H new ATOM 0 HA ARG A 63 11.114 -2.890 -3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 63 12.962 -1.603 -5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.245 -1.312 -5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.324 0.752 -4.332 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.782 0.351 -3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 63 13.408 1.932 -5.140 1.00 0.00 H new ATOM 0 HD3 ARG A 63 14.050 0.378 -5.633 1.00 0.00 H new ATOM 0 HE ARG A 63 11.499 0.598 -6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 63 14.620 2.246 -6.893 1.00 0.00 H new ATOM 0 HH12 ARG A 63 14.435 2.783 -8.566 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.268 1.289 -8.980 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.545 2.244 -9.743 1.00 0.00 H new ATOM 956 N GLN A 64 13.779 -1.940 -2.128 1.00 0.00 N ATOM 957 CA GLN A 64 15.031 -2.393 -1.528 1.00 0.00 C ATOM 958 C GLN A 64 14.816 -3.590 -0.605 1.00 0.00 C ATOM 959 O GLN A 64 15.499 -4.607 -0.728 1.00 0.00 O ATOM 960 CB GLN A 64 15.685 -1.254 -0.744 1.00 0.00 C ATOM 961 CG GLN A 64 16.506 -0.316 -1.611 1.00 0.00 C ATOM 962 CD GLN A 64 16.908 0.951 -0.883 1.00 0.00 C ATOM 963 OE1 GLN A 64 16.743 1.063 0.332 1.00 0.00 O ATOM 964 NE2 GLN A 64 17.438 1.916 -1.625 1.00 0.00 N ATOM 0 H GLN A 64 13.496 -1.001 -1.847 1.00 0.00 H new ATOM 0 HA GLN A 64 15.687 -2.705 -2.341 1.00 0.00 H new ATOM 0 HB2 GLN A 64 14.909 -0.681 -0.236 1.00 0.00 H new ATOM 0 HB3 GLN A 64 16.327 -1.677 0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 64 17.402 -0.834 -1.952 1.00 0.00 H new ATOM 0 HG3 GLN A 64 15.932 -0.053 -2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 64 17.557 1.781 -2.629 1.00 0.00 H new ATOM 0 HE22 GLN A 64 17.727 2.793 -1.191 1.00 0.00 H new ATOM 973 N GLU A 65 13.886 -3.454 0.340 1.00 0.00 N ATOM 974 CA GLU A 65 13.626 -4.517 1.307 1.00 0.00 C ATOM 975 C GLU A 65 13.004 -5.734 0.633 1.00 0.00 C ATOM 976 O GLU A 65 13.211 -6.867 1.067 1.00 0.00 O ATOM 977 CB GLU A 65 12.720 -4.013 2.438 1.00 0.00 C ATOM 978 CG GLU A 65 11.260 -3.884 2.054 1.00 0.00 C ATOM 979 CD GLU A 65 10.536 -5.215 2.077 1.00 0.00 C ATOM 980 OE1 GLU A 65 10.347 -5.768 3.180 1.00 0.00 O ATOM 981 OE2 GLU A 65 10.155 -5.704 0.992 1.00 0.00 O ATOM 0 H GLU A 65 13.304 -2.624 0.455 1.00 0.00 H new ATOM 0 HA GLU A 65 14.582 -4.817 1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.802 -4.694 3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.083 -3.042 2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.767 -3.194 2.738 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.187 -3.451 1.056 1.00 0.00 H new ATOM 988 N MET A 66 12.234 -5.496 -0.423 1.00 0.00 N ATOM 989 CA MET A 66 11.602 -6.585 -1.156 1.00 0.00 C ATOM 990 C MET A 66 12.664 -7.540 -1.681 1.00 0.00 C ATOM 991 O MET A 66 12.448 -8.749 -1.761 1.00 0.00 O ATOM 992 CB MET A 66 10.764 -6.038 -2.312 1.00 0.00 C ATOM 993 CG MET A 66 9.289 -5.890 -1.976 1.00 0.00 C ATOM 994 SD MET A 66 8.471 -7.477 -1.721 1.00 0.00 S ATOM 995 CE MET A 66 6.765 -7.037 -2.044 1.00 0.00 C ATOM 0 H MET A 66 12.034 -4.565 -0.788 1.00 0.00 H new ATOM 0 HA MET A 66 10.941 -7.126 -0.479 1.00 0.00 H new ATOM 0 HB2 MET A 66 11.160 -5.067 -2.609 1.00 0.00 H new ATOM 0 HB3 MET A 66 10.868 -6.701 -3.171 1.00 0.00 H new ATOM 0 HG2 MET A 66 9.185 -5.283 -1.077 1.00 0.00 H new ATOM 0 HG3 MET A 66 8.789 -5.353 -2.782 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.152 -7.302 -1.183 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.694 -5.964 -2.224 1.00 0.00 H new ATOM 0 HE3 MET A 66 6.410 -7.577 -2.922 1.00 0.00 H new ATOM 1005 N ARG A 67 13.818 -6.980 -2.019 1.00 0.00 N ATOM 1006 CA ARG A 67 14.940 -7.765 -2.510 1.00 0.00 C ATOM 1007 C ARG A 67 15.648 -8.468 -1.357 1.00 0.00 C ATOM 1008 O ARG A 67 16.047 -9.627 -1.471 1.00 0.00 O ATOM 1009 CB ARG A 67 15.922 -6.857 -3.251 1.00 0.00 C ATOM 1010 CG ARG A 67 15.355 -6.262 -4.530 1.00 0.00 C ATOM 1011 CD ARG A 67 15.902 -6.961 -5.763 1.00 0.00 C ATOM 1012 NE ARG A 67 16.450 -6.014 -6.731 1.00 0.00 N ATOM 1013 CZ ARG A 67 15.724 -5.084 -7.343 1.00 0.00 C ATOM 1014 NH1 ARG A 67 14.427 -4.977 -7.089 1.00 0.00 N ATOM 1015 NH2 ARG A 67 16.295 -4.259 -8.211 1.00 0.00 N ATOM 0 H ARG A 67 14.001 -5.978 -1.961 1.00 0.00 H new ATOM 0 HA ARG A 67 14.562 -8.523 -3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 67 16.227 -6.048 -2.588 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.820 -7.427 -3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 67 14.268 -6.342 -4.518 1.00 0.00 H new ATOM 0 HG3 ARG A 67 15.596 -5.200 -4.576 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.679 -7.666 -5.466 1.00 0.00 H new ATOM 0 HD3 ARG A 67 15.108 -7.541 -6.233 1.00 0.00 H new ATOM 0 HE ARG A 67 17.445 -6.070 -6.949 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.984 -5.609 -6.422 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.872 -4.262 -7.560 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.292 -4.338 -8.409 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.737 -3.546 -8.680 1.00 0.00 H new ATOM 1029 N ARG A 68 15.800 -7.753 -0.246 1.00 0.00 N ATOM 1030 CA ARG A 68 16.461 -8.296 0.936 1.00 0.00 C ATOM 1031 C ARG A 68 15.577 -9.322 1.637 1.00 0.00 C ATOM 1032 O ARG A 68 16.072 -10.210 2.330 1.00 0.00 O ATOM 1033 CB ARG A 68 16.815 -7.168 1.908 1.00 0.00 C ATOM 1034 CG ARG A 68 18.259 -6.706 1.804 1.00 0.00 C ATOM 1035 CD ARG A 68 18.421 -5.273 2.284 1.00 0.00 C ATOM 1036 NE ARG A 68 19.419 -4.545 1.508 1.00 0.00 N ATOM 1037 CZ ARG A 68 20.730 -4.672 1.689 1.00 0.00 C ATOM 1038 NH1 ARG A 68 21.197 -5.497 2.617 1.00 0.00 N ATOM 1039 NH2 ARG A 68 21.575 -3.975 0.942 1.00 0.00 N ATOM 0 H ARG A 68 15.473 -6.793 -0.140 1.00 0.00 H new ATOM 0 HA ARG A 68 17.375 -8.794 0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.157 -6.319 1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.622 -7.504 2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 68 18.896 -7.363 2.396 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.594 -6.784 0.770 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.463 -4.758 2.216 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.709 -5.273 3.335 1.00 0.00 H new ATOM 0 HE ARG A 68 19.093 -3.903 0.786 1.00 0.00 H new ATOM 0 HH11 ARG A 68 20.550 -6.035 3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 68 22.203 -5.593 2.754 1.00 0.00 H new ATOM 0 HH21 ARG A 68 21.220 -3.340 0.227 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.580 -4.074 1.082 1.00 0.00 H new ATOM 1053 N GLN A 69 14.266 -9.194 1.454 1.00 0.00 N ATOM 1054 CA GLN A 69 13.315 -10.112 2.072 1.00 0.00 C ATOM 1055 C GLN A 69 13.018 -11.302 1.161 1.00 0.00 C ATOM 1056 O GLN A 69 12.021 -12.000 1.345 1.00 0.00 O ATOM 1057 CB GLN A 69 12.017 -9.377 2.414 1.00 0.00 C ATOM 1058 CG GLN A 69 12.109 -8.538 3.677 1.00 0.00 C ATOM 1059 CD GLN A 69 10.750 -8.240 4.275 1.00 0.00 C ATOM 1060 OE1 GLN A 69 9.754 -8.878 3.933 1.00 0.00 O ATOM 1061 NE2 GLN A 69 10.703 -7.269 5.178 1.00 0.00 N ATOM 0 H GLN A 69 13.839 -8.464 0.884 1.00 0.00 H new ATOM 0 HA GLN A 69 13.765 -10.493 2.989 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.743 -8.733 1.579 1.00 0.00 H new ATOM 0 HB3 GLN A 69 11.216 -10.107 2.530 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.720 -9.061 4.413 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.616 -7.600 3.450 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.554 -6.766 5.431 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.816 -7.025 5.619 1.00 0.00 H new ATOM 1070 N GLY A 70 13.891 -11.533 0.183 1.00 0.00 N ATOM 1071 CA GLY A 70 13.704 -12.646 -0.729 1.00 0.00 C ATOM 1072 C GLY A 70 14.811 -13.678 -0.617 1.00 0.00 C ATOM 1073 O GLY A 70 15.002 -14.493 -1.521 1.00 0.00 O ATOM 0 H GLY A 70 14.723 -10.969 0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 70 12.745 -13.122 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.663 -12.271 -1.752 1.00 0.00 H new ATOM 1077 N GLY A 71 15.542 -13.645 0.493 1.00 0.00 N ATOM 1078 CA GLY A 71 16.624 -14.591 0.698 1.00 0.00 C ATOM 1079 C GLY A 71 16.600 -15.207 2.084 1.00 0.00 C ATOM 1080 O GLY A 71 16.618 -16.430 2.226 1.00 0.00 O ATOM 0 H GLY A 71 15.404 -12.980 1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 71 16.558 -15.382 -0.049 1.00 0.00 H new ATOM 0 HA3 GLY A 71 17.578 -14.086 0.544 1.00 0.00 H new ATOM 1084 N SER A 72 16.556 -14.359 3.107 1.00 0.00 N ATOM 1085 CA SER A 72 16.522 -14.830 4.486 1.00 0.00 C ATOM 1086 C SER A 72 15.199 -15.525 4.787 1.00 0.00 C ATOM 1087 O SER A 72 14.127 -14.982 4.521 1.00 0.00 O ATOM 1088 CB SER A 72 16.728 -13.660 5.451 1.00 0.00 C ATOM 1089 OG SER A 72 16.732 -14.103 6.797 1.00 0.00 O ATOM 0 H SER A 72 16.543 -13.344 3.007 1.00 0.00 H new ATOM 0 HA SER A 72 17.330 -15.549 4.620 1.00 0.00 H new ATOM 0 HB2 SER A 72 17.671 -13.161 5.226 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.936 -12.924 5.309 1.00 0.00 H new ATOM 0 HG SER A 72 16.867 -13.337 7.393 1.00 0.00 H new ATOM 1095 N GLY A 73 15.280 -16.731 5.340 1.00 0.00 N ATOM 1096 CA GLY A 73 14.079 -17.480 5.655 1.00 0.00 C ATOM 1097 C GLY A 73 13.273 -17.820 4.417 1.00 0.00 C ATOM 1098 O GLY A 73 12.922 -16.935 3.636 1.00 0.00 O ATOM 0 H GLY A 73 16.154 -17.201 5.575 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.352 -18.400 6.172 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.461 -16.900 6.341 1.00 0.00 H new ATOM 1102 N GLY A 74 12.988 -19.104 4.231 1.00 0.00 N ATOM 1103 CA GLY A 74 12.233 -19.533 3.068 1.00 0.00 C ATOM 1104 C GLY A 74 12.869 -19.077 1.770 1.00 0.00 C ATOM 1105 O GLY A 74 13.922 -19.578 1.377 1.00 0.00 O ATOM 0 H GLY A 74 13.266 -19.855 4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.154 -20.620 3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.218 -19.140 3.131 1.00 0.00 H new ATOM 1109 N SER A 75 12.233 -18.115 1.110 1.00 0.00 N ATOM 1110 CA SER A 75 12.740 -17.583 -0.150 1.00 0.00 C ATOM 1111 C SER A 75 11.808 -16.508 -0.695 1.00 0.00 C ATOM 1112 O SER A 75 12.255 -15.516 -1.271 1.00 0.00 O ATOM 1113 CB SER A 75 12.894 -18.705 -1.180 1.00 0.00 C ATOM 1114 OG SER A 75 13.852 -18.363 -2.167 1.00 0.00 O ATOM 0 H SER A 75 11.363 -17.687 1.428 1.00 0.00 H new ATOM 0 HA SER A 75 13.716 -17.137 0.040 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.196 -19.624 -0.679 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.933 -18.902 -1.655 1.00 0.00 H new ATOM 0 HG SER A 75 13.933 -19.096 -2.812 1.00 0.00 H new ATOM 1120 N GLN A 76 10.510 -16.714 -0.506 1.00 0.00 N ATOM 1121 CA GLN A 76 9.506 -15.775 -0.985 1.00 0.00 C ATOM 1122 C GLN A 76 9.462 -14.521 -0.113 1.00 0.00 C ATOM 1123 O GLN A 76 9.464 -14.607 1.115 1.00 0.00 O ATOM 1124 CB GLN A 76 8.128 -16.452 -1.018 1.00 0.00 C ATOM 1125 CG GLN A 76 7.436 -16.532 0.337 1.00 0.00 C ATOM 1126 CD GLN A 76 8.284 -17.220 1.389 1.00 0.00 C ATOM 1127 OE1 GLN A 76 8.711 -18.360 1.210 1.00 0.00 O ATOM 1128 NE2 GLN A 76 8.531 -16.528 2.495 1.00 0.00 N ATOM 0 H GLN A 76 10.128 -17.527 -0.022 1.00 0.00 H new ATOM 0 HA GLN A 76 9.778 -15.470 -1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.485 -15.907 -1.710 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.241 -17.461 -1.415 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.192 -15.525 0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.494 -17.069 0.228 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.157 -15.585 2.601 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.095 -16.939 3.239 1.00 0.00 H new ATOM 1137 N SER A 77 9.409 -13.359 -0.756 1.00 0.00 N ATOM 1138 CA SER A 77 9.339 -12.093 -0.038 1.00 0.00 C ATOM 1139 C SER A 77 7.889 -11.720 0.245 1.00 0.00 C ATOM 1140 O SER A 77 7.074 -11.633 -0.672 1.00 0.00 O ATOM 1141 CB SER A 77 10.016 -10.984 -0.845 1.00 0.00 C ATOM 1142 OG SER A 77 10.971 -11.517 -1.745 1.00 0.00 O ATOM 0 H SER A 77 9.413 -13.269 -1.772 1.00 0.00 H new ATOM 0 HA SER A 77 9.863 -12.208 0.911 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.264 -10.422 -1.399 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.503 -10.282 -0.167 1.00 0.00 H new ATOM 0 HG SER A 77 11.642 -10.833 -1.953 1.00 0.00 H new ATOM 1148 N SER A 78 7.566 -11.533 1.523 1.00 0.00 N ATOM 1149 CA SER A 78 6.206 -11.180 1.932 1.00 0.00 C ATOM 1150 C SER A 78 6.036 -11.291 3.445 1.00 0.00 C ATOM 1151 O SER A 78 5.408 -10.437 4.070 1.00 0.00 O ATOM 1152 CB SER A 78 5.179 -12.081 1.238 1.00 0.00 C ATOM 1153 OG SER A 78 5.565 -13.443 1.308 1.00 0.00 O ATOM 0 H SER A 78 8.227 -11.620 2.295 1.00 0.00 H new ATOM 0 HA SER A 78 6.036 -10.145 1.635 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.203 -11.952 1.705 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.075 -11.782 0.195 1.00 0.00 H new ATOM 0 HG SER A 78 4.893 -13.997 0.859 1.00 0.00 H new ATOM 1159 N GLU A 79 6.621 -12.330 4.035 1.00 0.00 N ATOM 1160 CA GLU A 79 6.509 -12.547 5.472 1.00 0.00 C ATOM 1161 C GLU A 79 7.323 -11.510 6.234 1.00 0.00 C ATOM 1162 O GLU A 79 8.468 -11.754 6.617 1.00 0.00 O ATOM 1163 CB GLU A 79 6.985 -13.954 5.838 1.00 0.00 C ATOM 1164 CG GLU A 79 6.122 -15.060 5.252 1.00 0.00 C ATOM 1165 CD GLU A 79 6.673 -16.443 5.537 1.00 0.00 C ATOM 1166 OE1 GLU A 79 7.813 -16.536 6.038 1.00 0.00 O ATOM 1167 OE2 GLU A 79 5.963 -17.433 5.261 1.00 0.00 O ATOM 0 H GLU A 79 7.174 -13.031 3.542 1.00 0.00 H new ATOM 0 HA GLU A 79 5.460 -12.445 5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.011 -14.083 5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.000 -14.053 6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.114 -14.984 5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.041 -14.920 4.174 1.00 0.00 H new ATOM 1174 N GLY A 80 6.717 -10.347 6.441 1.00 0.00 N ATOM 1175 CA GLY A 80 7.381 -9.266 7.140 1.00 0.00 C ATOM 1176 C GLY A 80 6.618 -7.963 7.007 1.00 0.00 C ATOM 1177 O GLY A 80 5.601 -7.756 7.672 1.00 0.00 O ATOM 0 H GLY A 80 5.768 -10.133 6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.483 -9.522 8.194 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.389 -9.140 6.744 1.00 0.00 H new ATOM 1181 N LEU A 81 7.068 -7.117 6.092 1.00 0.00 N ATOM 1182 CA LEU A 81 6.421 -5.832 5.850 1.00 0.00 C ATOM 1183 C LEU A 81 4.957 -6.015 5.465 1.00 0.00 C ATOM 1184 O LEU A 81 4.107 -5.198 5.816 1.00 0.00 O ATOM 1185 CB LEU A 81 7.145 -5.059 4.743 1.00 0.00 C ATOM 1186 CG LEU A 81 7.062 -5.666 3.335 1.00 0.00 C ATOM 1187 CD1 LEU A 81 7.679 -4.716 2.327 1.00 0.00 C ATOM 1188 CD2 LEU A 81 7.761 -7.015 3.266 1.00 0.00 C ATOM 0 H LEU A 81 7.881 -7.296 5.502 1.00 0.00 H new ATOM 0 HA LEU A 81 6.472 -5.263 6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.738 -4.049 4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.196 -4.969 5.017 1.00 0.00 H new ATOM 0 HG LEU A 81 6.009 -5.820 3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.617 -5.153 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.140 -3.769 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.724 -4.543 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.682 -7.414 2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.812 -6.894 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.290 -7.705 3.966 1.00 0.00 H new ATOM 1200 N VAL A 82 4.668 -7.095 4.750 1.00 0.00 N ATOM 1201 CA VAL A 82 3.304 -7.381 4.321 1.00 0.00 C ATOM 1202 C VAL A 82 2.386 -7.541 5.524 1.00 0.00 C ATOM 1203 O VAL A 82 1.199 -7.224 5.459 1.00 0.00 O ATOM 1204 CB VAL A 82 3.229 -8.658 3.463 1.00 0.00 C ATOM 1205 CG1 VAL A 82 1.831 -8.828 2.888 1.00 0.00 C ATOM 1206 CG2 VAL A 82 4.269 -8.623 2.354 1.00 0.00 C ATOM 0 H VAL A 82 5.358 -7.786 4.455 1.00 0.00 H new ATOM 0 HA VAL A 82 2.979 -6.535 3.716 1.00 0.00 H new ATOM 0 HB VAL A 82 3.445 -9.515 4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.794 -9.735 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.110 -8.904 3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.586 -7.967 2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.199 -9.534 1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.090 -7.759 1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.265 -8.551 2.791 1.00 0.00 H new ATOM 1216 N GLY A 83 2.948 -8.022 6.627 1.00 0.00 N ATOM 1217 CA GLY A 83 2.169 -8.186 7.837 1.00 0.00 C ATOM 1218 C GLY A 83 1.778 -6.851 8.432 1.00 0.00 C ATOM 1219 O GLY A 83 0.659 -6.680 8.917 1.00 0.00 O ATOM 0 H GLY A 83 3.926 -8.300 6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.271 -8.764 7.617 1.00 0.00 H new ATOM 0 HA3 GLY A 83 2.744 -8.756 8.567 1.00 0.00 H new ATOM 1223 N ALA A 84 2.702 -5.897 8.382 1.00 0.00 N ATOM 1224 CA ALA A 84 2.444 -4.556 8.887 1.00 0.00 C ATOM 1225 C ALA A 84 1.376 -3.863 8.048 1.00 0.00 C ATOM 1226 O ALA A 84 0.356 -3.413 8.569 1.00 0.00 O ATOM 1227 CB ALA A 84 3.726 -3.737 8.899 1.00 0.00 C ATOM 0 H ALA A 84 3.637 -6.029 7.996 1.00 0.00 H new ATOM 0 HA ALA A 84 2.077 -4.639 9.910 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.516 -2.737 9.279 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.462 -4.222 9.541 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.121 -3.664 7.886 1.00 0.00 H new ATOM 1233 N LEU A 85 1.614 -3.792 6.741 1.00 0.00 N ATOM 1234 CA LEU A 85 0.668 -3.169 5.824 1.00 0.00 C ATOM 1235 C LEU A 85 -0.722 -3.769 5.999 1.00 0.00 C ATOM 1236 O LEU A 85 -1.726 -3.059 5.953 1.00 0.00 O ATOM 1237 CB LEU A 85 1.135 -3.345 4.377 1.00 0.00 C ATOM 1238 CG LEU A 85 0.109 -2.952 3.311 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -0.401 -1.539 3.553 1.00 0.00 C ATOM 1240 CD2 LEU A 85 0.713 -3.072 1.920 1.00 0.00 C ATOM 0 H LEU A 85 2.455 -4.159 6.294 1.00 0.00 H new ATOM 0 HA LEU A 85 0.620 -2.104 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.037 -2.751 4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.412 -4.388 4.225 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.736 -3.637 3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.129 -1.278 2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.873 -1.486 4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.434 -0.839 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.030 -2.789 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.577 -2.412 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.026 -4.102 1.747 1.00 0.00 H new ATOM 1252 N MET A 86 -0.772 -5.081 6.210 1.00 0.00 N ATOM 1253 CA MET A 86 -2.039 -5.771 6.413 1.00 0.00 C ATOM 1254 C MET A 86 -2.827 -5.106 7.534 1.00 0.00 C ATOM 1255 O MET A 86 -4.055 -5.038 7.490 1.00 0.00 O ATOM 1256 CB MET A 86 -1.797 -7.245 6.742 1.00 0.00 C ATOM 1257 CG MET A 86 -1.759 -8.143 5.517 1.00 0.00 C ATOM 1258 SD MET A 86 -1.686 -9.894 5.940 1.00 0.00 S ATOM 1259 CE MET A 86 -1.354 -10.618 4.336 1.00 0.00 C ATOM 0 H MET A 86 0.049 -5.685 6.245 1.00 0.00 H new ATOM 0 HA MET A 86 -2.618 -5.710 5.492 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.854 -7.338 7.280 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.583 -7.593 7.413 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.644 -7.957 4.908 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.893 -7.884 4.908 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.543 -11.691 4.375 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.004 -10.162 3.589 1.00 0.00 H new ATOM 0 HE3 MET A 86 -0.313 -10.442 4.066 1.00 0.00 H new ATOM 1269 N HIS A 87 -2.106 -4.603 8.530 1.00 0.00 N ATOM 1270 CA HIS A 87 -2.728 -3.916 9.653 1.00 0.00 C ATOM 1271 C HIS A 87 -3.141 -2.506 9.249 1.00 0.00 C ATOM 1272 O HIS A 87 -4.248 -2.060 9.553 1.00 0.00 O ATOM 1273 CB HIS A 87 -1.764 -3.856 10.840 1.00 0.00 C ATOM 1274 CG HIS A 87 -2.417 -4.148 12.155 1.00 0.00 C ATOM 1275 ND1 HIS A 87 -3.310 -3.288 12.760 1.00 0.00 N ATOM 1276 CD2 HIS A 87 -2.304 -5.213 12.984 1.00 0.00 C ATOM 1277 CE1 HIS A 87 -3.718 -3.811 13.902 1.00 0.00 C ATOM 1278 NE2 HIS A 87 -3.122 -4.978 14.061 1.00 0.00 N ATOM 0 H HIS A 87 -1.089 -4.659 8.581 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.617 -4.473 9.948 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.956 -4.570 10.678 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.311 -2.865 10.880 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -1.686 -6.084 12.827 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.420 -3.361 14.589 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -3.249 -5.604 14.856 1.00 0.00 H new ATOM 1287 N VAL A 88 -2.246 -1.815 8.550 1.00 0.00 N ATOM 1288 CA VAL A 88 -2.523 -0.464 8.081 1.00 0.00 C ATOM 1289 C VAL A 88 -3.820 -0.428 7.284 1.00 0.00 C ATOM 1290 O VAL A 88 -4.597 0.521 7.384 1.00 0.00 O ATOM 1291 CB VAL A 88 -1.377 0.075 7.205 1.00 0.00 C ATOM 1292 CG1 VAL A 88 -1.661 1.505 6.770 1.00 0.00 C ATOM 1293 CG2 VAL A 88 -0.052 -0.013 7.947 1.00 0.00 C ATOM 0 H VAL A 88 -1.324 -2.169 8.297 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.618 0.170 8.963 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.307 -0.543 6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.839 1.867 6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.587 1.533 6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.760 2.140 7.650 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.746 0.372 7.313 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.107 0.578 8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.155 -1.053 8.200 1.00 0.00 H new ATOM 1303 N MET A 89 -4.051 -1.476 6.499 1.00 0.00 N ATOM 1304 CA MET A 89 -5.267 -1.578 5.702 1.00 0.00 C ATOM 1305 C MET A 89 -6.489 -1.637 6.609 1.00 0.00 C ATOM 1306 O MET A 89 -7.577 -1.198 6.237 1.00 0.00 O ATOM 1307 CB MET A 89 -5.215 -2.818 4.807 1.00 0.00 C ATOM 1308 CG MET A 89 -4.188 -2.719 3.692 1.00 0.00 C ATOM 1309 SD MET A 89 -4.472 -1.304 2.612 1.00 0.00 S ATOM 1310 CE MET A 89 -6.072 -1.721 1.923 1.00 0.00 C ATOM 0 H MET A 89 -3.413 -2.265 6.398 1.00 0.00 H new ATOM 0 HA MET A 89 -5.342 -0.694 5.069 1.00 0.00 H new ATOM 0 HB2 MET A 89 -4.990 -3.690 5.421 1.00 0.00 H new ATOM 0 HB3 MET A 89 -6.200 -2.982 4.369 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.191 -2.645 4.127 1.00 0.00 H new ATOM 0 HG3 MET A 89 -4.211 -3.634 3.100 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.149 -1.318 0.913 1.00 0.00 H new ATOM 0 HE2 MET A 89 -6.183 -2.805 1.891 1.00 0.00 H new ATOM 0 HE3 MET A 89 -6.859 -1.294 2.545 1.00 0.00 H new ATOM 1320 N GLN A 90 -6.295 -2.173 7.810 1.00 0.00 N ATOM 1321 CA GLN A 90 -7.371 -2.273 8.787 1.00 0.00 C ATOM 1322 C GLN A 90 -7.644 -0.924 9.457 1.00 0.00 C ATOM 1323 O GLN A 90 -8.594 -0.791 10.228 1.00 0.00 O ATOM 1324 CB GLN A 90 -7.026 -3.319 9.848 1.00 0.00 C ATOM 1325 CG GLN A 90 -6.595 -4.655 9.266 1.00 0.00 C ATOM 1326 CD GLN A 90 -5.802 -5.491 10.249 1.00 0.00 C ATOM 1327 OE1 GLN A 90 -5.572 -5.082 11.387 1.00 0.00 O ATOM 1328 NE2 GLN A 90 -5.379 -6.673 9.815 1.00 0.00 N ATOM 0 H GLN A 90 -5.401 -2.545 8.129 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.274 -2.578 8.258 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.227 -2.933 10.481 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.894 -3.474 10.489 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.478 -5.211 8.951 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.993 -4.481 8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.592 -6.973 8.864 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.841 -7.281 10.433 1.00 0.00 H new ATOM 1337 N LYS A 91 -6.819 0.078 9.153 1.00 0.00 N ATOM 1338 CA LYS A 91 -6.992 1.407 9.726 1.00 0.00 C ATOM 1339 C LYS A 91 -8.232 2.098 9.158 1.00 0.00 C ATOM 1340 O LYS A 91 -8.657 3.135 9.667 1.00 0.00 O ATOM 1341 CB LYS A 91 -5.753 2.262 9.460 1.00 0.00 C ATOM 1342 CG LYS A 91 -5.417 3.211 10.595 1.00 0.00 C ATOM 1343 CD LYS A 91 -4.620 2.510 11.681 1.00 0.00 C ATOM 1344 CE LYS A 91 -3.908 3.506 12.579 1.00 0.00 C ATOM 1345 NZ LYS A 91 -3.496 2.895 13.873 1.00 0.00 N ATOM 0 H LYS A 91 -6.028 -0.008 8.515 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.127 1.293 10.802 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.901 1.607 9.281 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.909 2.839 8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.846 4.055 10.209 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.336 3.615 11.019 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.287 1.890 12.280 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.889 1.843 11.224 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.029 3.894 12.065 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.565 4.355 12.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.014 3.609 14.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.337 2.548 14.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.849 2.101 13.692 1.00 0.00 H new ATOM 1359 N ARG A 92 -8.805 1.529 8.098 1.00 0.00 N ATOM 1360 CA ARG A 92 -10.005 2.083 7.493 1.00 0.00 C ATOM 1361 C ARG A 92 -11.225 1.794 8.354 1.00 0.00 C ATOM 1362 O ARG A 92 -12.237 2.489 8.262 1.00 0.00 O ATOM 1363 CB ARG A 92 -10.214 1.504 6.105 1.00 0.00 C ATOM 1364 CG ARG A 92 -9.324 2.126 5.040 1.00 0.00 C ATOM 1365 CD ARG A 92 -9.332 3.644 5.117 1.00 0.00 C ATOM 1366 NE ARG A 92 -10.667 4.173 5.386 1.00 0.00 N ATOM 1367 CZ ARG A 92 -10.890 5.385 5.885 1.00 0.00 C ATOM 1368 NH1 ARG A 92 -9.872 6.186 6.167 1.00 0.00 N ATOM 1369 NH2 ARG A 92 -12.132 5.798 6.102 1.00 0.00 N ATOM 0 H ARG A 92 -8.454 0.685 7.644 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.876 3.163 7.416 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.029 0.430 6.138 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.257 1.639 5.818 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.304 1.761 5.160 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.662 1.810 4.053 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.648 3.971 5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -8.961 4.056 4.179 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.471 3.581 5.180 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.916 5.873 6.001 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.045 7.115 6.550 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.918 5.185 5.886 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.301 6.728 6.485 1.00 0.00 H new ATOM 1383 N SER A 93 -11.139 0.726 9.154 1.00 0.00 N ATOM 1384 CA SER A 93 -12.221 0.319 10.055 1.00 0.00 C ATOM 1385 C SER A 93 -13.297 -0.493 9.340 1.00 0.00 C ATOM 1386 O SER A 93 -13.817 -1.460 9.895 1.00 0.00 O ATOM 1387 CB SER A 93 -12.859 1.535 10.728 1.00 0.00 C ATOM 1388 OG SER A 93 -12.759 1.451 12.139 1.00 0.00 O ATOM 0 H SER A 93 -10.319 0.121 9.195 1.00 0.00 H new ATOM 0 HA SER A 93 -11.768 -0.319 10.814 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.370 2.445 10.380 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.908 1.606 10.439 1.00 0.00 H new ATOM 0 HG SER A 93 -13.173 2.242 12.544 1.00 0.00 H new ATOM 1394 N ARG A 94 -13.653 -0.088 8.127 1.00 0.00 N ATOM 1395 CA ARG A 94 -14.701 -0.770 7.386 1.00 0.00 C ATOM 1396 C ARG A 94 -14.498 -0.658 5.880 1.00 0.00 C ATOM 1397 O ARG A 94 -15.433 -0.866 5.106 1.00 0.00 O ATOM 1398 CB ARG A 94 -16.060 -0.186 7.762 1.00 0.00 C ATOM 1399 CG ARG A 94 -16.504 -0.538 9.172 1.00 0.00 C ATOM 1400 CD ARG A 94 -16.645 -2.040 9.356 1.00 0.00 C ATOM 1401 NE ARG A 94 -17.292 -2.378 10.620 1.00 0.00 N ATOM 1402 CZ ARG A 94 -18.603 -2.295 10.821 1.00 0.00 C ATOM 1403 NH1 ARG A 94 -19.402 -1.888 9.845 1.00 0.00 N ATOM 1404 NH2 ARG A 94 -19.116 -2.620 11.999 1.00 0.00 N ATOM 0 H ARG A 94 -13.233 0.704 7.640 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.660 -1.826 7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.020 0.899 7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.808 -0.544 7.054 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.781 -0.149 9.889 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -17.457 -0.054 9.386 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -17.224 -2.454 8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.659 -2.504 9.318 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.705 -2.695 11.392 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -19.011 -1.638 8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -20.408 -1.825 10.002 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.504 -2.934 12.752 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.122 -2.556 12.152 1.00 0.00 H new ATOM 1418 N ALA A 95 -13.272 -0.373 5.462 1.00 0.00 N ATOM 1419 CA ALA A 95 -12.976 -0.248 4.035 1.00 0.00 C ATOM 1420 C ALA A 95 -13.026 -1.595 3.344 1.00 0.00 C ATOM 1421 O ALA A 95 -12.205 -2.475 3.600 1.00 0.00 O ATOM 1422 CB ALA A 95 -11.620 0.386 3.802 1.00 0.00 C ATOM 0 H ALA A 95 -12.473 -0.225 6.079 1.00 0.00 H new ATOM 0 HA ALA A 95 -13.743 0.399 3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.434 0.463 2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.603 1.381 4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.847 -0.230 4.261 1.00 0.00 H new ATOM 1428 N ILE A 96 -13.990 -1.737 2.451 1.00 0.00 N ATOM 1429 CA ILE A 96 -14.137 -2.951 1.678 1.00 0.00 C ATOM 1430 C ILE A 96 -14.328 -2.614 0.208 1.00 0.00 C ATOM 1431 O ILE A 96 -15.338 -2.026 -0.177 1.00 0.00 O ATOM 1432 CB ILE A 96 -15.330 -3.793 2.164 1.00 0.00 C ATOM 1433 CG1 ILE A 96 -15.334 -5.155 1.469 1.00 0.00 C ATOM 1434 CG2 ILE A 96 -16.633 -3.055 1.902 1.00 0.00 C ATOM 1435 CD1 ILE A 96 -16.497 -6.033 1.871 1.00 0.00 C ATOM 0 H ILE A 96 -14.685 -1.020 2.245 1.00 0.00 H new ATOM 0 HA ILE A 96 -13.227 -3.536 1.811 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.234 -3.955 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -15.359 -5.003 0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.402 -5.673 1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -17.470 -3.660 2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -16.626 -2.104 2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.738 -2.871 0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -16.436 -6.983 1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -16.461 -6.215 2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -17.433 -5.535 1.618 1.00 0.00 H new ATOM 1447 N HIS A 97 -13.350 -2.956 -0.606 1.00 0.00 N ATOM 1448 CA HIS A 97 -13.441 -2.677 -2.028 1.00 0.00 C ATOM 1449 C HIS A 97 -14.533 -3.525 -2.667 1.00 0.00 C ATOM 1450 O HIS A 97 -14.256 -4.474 -3.401 1.00 0.00 O ATOM 1451 CB HIS A 97 -12.097 -2.925 -2.717 1.00 0.00 C ATOM 1452 CG HIS A 97 -11.642 -4.350 -2.650 1.00 0.00 C ATOM 1453 ND1 HIS A 97 -11.083 -4.910 -1.520 1.00 0.00 N ATOM 1454 CD2 HIS A 97 -11.664 -5.332 -3.583 1.00 0.00 C ATOM 1455 CE1 HIS A 97 -10.782 -6.174 -1.761 1.00 0.00 C ATOM 1456 NE2 HIS A 97 -11.125 -6.453 -3.004 1.00 0.00 N ATOM 0 H HIS A 97 -12.491 -3.422 -0.314 1.00 0.00 H new ATOM 0 HA HIS A 97 -13.699 -1.626 -2.155 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -12.174 -2.626 -3.762 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -11.340 -2.289 -2.258 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -12.036 -5.248 -4.593 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -10.332 -6.861 -1.060 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -11.008 -7.357 -3.461 1.00 0.00 H new ATOM 1465 N SER A 98 -15.779 -3.173 -2.367 1.00 0.00 N ATOM 1466 CA SER A 98 -16.934 -3.895 -2.879 1.00 0.00 C ATOM 1467 C SER A 98 -17.865 -2.953 -3.637 1.00 0.00 C ATOM 1468 O SER A 98 -17.691 -1.735 -3.606 1.00 0.00 O ATOM 1469 CB SER A 98 -17.681 -4.559 -1.718 1.00 0.00 C ATOM 1470 OG SER A 98 -19.074 -4.632 -1.969 1.00 0.00 O ATOM 0 H SER A 98 -16.014 -2.383 -1.765 1.00 0.00 H new ATOM 0 HA SER A 98 -16.591 -4.663 -3.572 1.00 0.00 H new ATOM 0 HB2 SER A 98 -17.286 -5.562 -1.557 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.505 -3.996 -0.801 1.00 0.00 H new ATOM 0 HG SER A 98 -19.521 -5.062 -1.210 1.00 0.00 H new ATOM 1476 N SER A 99 -18.859 -3.523 -4.310 1.00 0.00 N ATOM 1477 CA SER A 99 -19.818 -2.730 -5.070 1.00 0.00 C ATOM 1478 C SER A 99 -21.243 -2.992 -4.594 1.00 0.00 C ATOM 1479 O SER A 99 -21.683 -4.140 -4.521 1.00 0.00 O ATOM 1480 CB SER A 99 -19.701 -3.041 -6.563 1.00 0.00 C ATOM 1481 OG SER A 99 -19.827 -4.431 -6.808 1.00 0.00 O ATOM 0 H SER A 99 -19.021 -4.529 -4.345 1.00 0.00 H new ATOM 0 HA SER A 99 -19.589 -1.677 -4.906 1.00 0.00 H new ATOM 0 HB2 SER A 99 -20.473 -2.501 -7.111 1.00 0.00 H new ATOM 0 HB3 SER A 99 -18.739 -2.689 -6.936 1.00 0.00 H new ATOM 0 HG SER A 99 -20.408 -4.832 -6.128 1.00 0.00 H new ATOM 1487 N ASP A 100 -21.960 -1.920 -4.273 1.00 0.00 N ATOM 1488 CA ASP A 100 -23.337 -2.032 -3.805 1.00 0.00 C ATOM 1489 C ASP A 100 -24.308 -2.093 -4.980 1.00 0.00 C ATOM 1490 O ASP A 100 -24.658 -1.067 -5.562 1.00 0.00 O ATOM 1491 CB ASP A 100 -23.686 -0.847 -2.901 1.00 0.00 C ATOM 1492 CG ASP A 100 -25.068 -0.973 -2.290 1.00 0.00 C ATOM 1493 OD1 ASP A 100 -25.207 -1.694 -1.279 1.00 0.00 O ATOM 1494 OD2 ASP A 100 -26.011 -0.352 -2.822 1.00 0.00 O ATOM 0 H ASP A 100 -21.610 -0.963 -4.328 1.00 0.00 H new ATOM 0 HA ASP A 100 -23.428 -2.956 -3.234 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -22.945 -0.770 -2.105 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -23.630 0.076 -3.478 1.00 0.00 H new ATOM 1499 N GLU A 101 -24.736 -3.303 -5.324 1.00 0.00 N ATOM 1500 CA GLU A 101 -25.665 -3.499 -6.432 1.00 0.00 C ATOM 1501 C GLU A 101 -27.110 -3.533 -5.941 1.00 0.00 C ATOM 1502 O GLU A 101 -28.042 -3.324 -6.718 1.00 0.00 O ATOM 1503 CB GLU A 101 -25.337 -4.797 -7.175 1.00 0.00 C ATOM 1504 CG GLU A 101 -25.696 -6.053 -6.397 1.00 0.00 C ATOM 1505 CD GLU A 101 -26.828 -6.833 -7.037 1.00 0.00 C ATOM 1506 OE1 GLU A 101 -28.002 -6.487 -6.789 1.00 0.00 O ATOM 1507 OE2 GLU A 101 -26.540 -7.790 -7.786 1.00 0.00 O ATOM 0 H GLU A 101 -24.455 -4.162 -4.852 1.00 0.00 H new ATOM 0 HA GLU A 101 -25.555 -2.656 -7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -25.869 -4.805 -8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -24.272 -4.815 -7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -24.817 -6.693 -6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -25.979 -5.778 -5.381 1.00 0.00 H new ATOM 1514 N GLY A 102 -27.293 -3.798 -4.651 1.00 0.00 N ATOM 1515 CA GLY A 102 -28.629 -3.854 -4.088 1.00 0.00 C ATOM 1516 C GLY A 102 -28.632 -4.348 -2.656 1.00 0.00 C ATOM 1517 O GLY A 102 -29.414 -5.228 -2.297 1.00 0.00 O ATOM 0 H GLY A 102 -26.540 -3.975 -3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -29.079 -2.862 -4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -29.250 -4.511 -4.697 1.00 0.00 H new ATOM 1521 N GLU A 103 -27.753 -3.782 -1.836 1.00 0.00 N ATOM 1522 CA GLU A 103 -27.657 -4.168 -0.434 1.00 0.00 C ATOM 1523 C GLU A 103 -28.223 -3.076 0.468 1.00 0.00 C ATOM 1524 O GLU A 103 -28.556 -1.985 0.005 1.00 0.00 O ATOM 1525 CB GLU A 103 -26.201 -4.450 -0.060 1.00 0.00 C ATOM 1526 CG GLU A 103 -25.997 -5.792 0.623 1.00 0.00 C ATOM 1527 CD GLU A 103 -26.004 -5.684 2.136 1.00 0.00 C ATOM 1528 OE1 GLU A 103 -26.252 -4.574 2.651 1.00 0.00 O ATOM 1529 OE2 GLU A 103 -25.761 -6.711 2.805 1.00 0.00 O ATOM 0 H GLU A 103 -27.097 -3.054 -2.119 1.00 0.00 H new ATOM 0 HA GLU A 103 -28.244 -5.075 -0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -25.590 -4.414 -0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -25.844 -3.658 0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -26.783 -6.479 0.308 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -25.049 -6.221 0.297 1.00 0.00 H new ATOM 1536 N ASP A 104 -28.332 -3.377 1.758 1.00 0.00 N ATOM 1537 CA ASP A 104 -28.859 -2.418 2.722 1.00 0.00 C ATOM 1538 C ASP A 104 -28.608 -2.889 4.150 1.00 0.00 C ATOM 1539 O ASP A 104 -29.280 -3.795 4.642 1.00 0.00 O ATOM 1540 CB ASP A 104 -30.358 -2.209 2.497 1.00 0.00 C ATOM 1541 CG ASP A 104 -31.123 -3.517 2.450 1.00 0.00 C ATOM 1542 OD1 ASP A 104 -30.725 -4.411 1.675 1.00 0.00 O ATOM 1543 OD2 ASP A 104 -32.121 -3.647 3.190 1.00 0.00 O ATOM 0 H ASP A 104 -28.063 -4.275 2.159 1.00 0.00 H new ATOM 0 HA ASP A 104 -28.341 -1.470 2.575 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -30.759 -1.585 3.296 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -30.511 -1.668 1.563 1.00 0.00 H new ATOM 1548 N GLN A 105 -27.639 -2.266 4.811 1.00 0.00 N ATOM 1549 CA GLN A 105 -27.298 -2.622 6.183 1.00 0.00 C ATOM 1550 C GLN A 105 -28.494 -2.431 7.110 1.00 0.00 C ATOM 1551 O GLN A 105 -28.743 -3.251 7.995 1.00 0.00 O ATOM 1552 CB GLN A 105 -26.119 -1.778 6.672 1.00 0.00 C ATOM 1553 CG GLN A 105 -25.408 -2.368 7.879 1.00 0.00 C ATOM 1554 CD GLN A 105 -23.927 -2.579 7.637 1.00 0.00 C ATOM 1555 OE1 GLN A 105 -23.390 -3.655 7.903 1.00 0.00 O ATOM 1556 NE2 GLN A 105 -23.257 -1.551 7.130 1.00 0.00 N ATOM 0 H GLN A 105 -27.076 -1.512 4.419 1.00 0.00 H new ATOM 0 HA GLN A 105 -27.015 -3.675 6.199 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -25.402 -1.664 5.859 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -26.477 -0.780 6.924 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -25.542 -1.706 8.734 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -25.869 -3.321 8.138 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -23.742 -0.678 6.925 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -22.257 -1.635 6.946 1.00 0.00 H new ATOM 1565 N ALA A 106 -29.233 -1.346 6.902 1.00 0.00 N ATOM 1566 CA ALA A 106 -30.404 -1.051 7.720 1.00 0.00 C ATOM 1567 C ALA A 106 -31.616 -1.846 7.247 1.00 0.00 C ATOM 1568 O ALA A 106 -31.821 -2.030 6.047 1.00 0.00 O ATOM 1569 CB ALA A 106 -30.705 0.440 7.697 1.00 0.00 C ATOM 0 H ALA A 106 -29.042 -0.657 6.175 1.00 0.00 H new ATOM 0 HA ALA A 106 -30.184 -1.348 8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -31.582 0.644 8.312 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -29.850 0.990 8.090 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -30.900 0.756 6.672 1.00 0.00 H new ATOM 1575 N GLY A 107 -32.416 -2.317 8.198 1.00 0.00 N ATOM 1576 CA GLY A 107 -33.597 -3.088 7.860 1.00 0.00 C ATOM 1577 C GLY A 107 -34.679 -2.984 8.917 1.00 0.00 C ATOM 1578 O GLY A 107 -34.349 -3.090 10.117 1.00 0.00 O ATOM 1579 OXT GLY A 107 -35.856 -2.795 8.546 1.00 0.00 O ATOM 0 H GLY A 107 -32.267 -2.178 9.197 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -33.992 -2.742 6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -33.319 -4.134 7.730 1.00 0.00 H new TER 1583 GLY A 107