USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 660 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 6 HIS : no HE2:sc= -4.72! C(o=-7.1!,f=-8.8!) USER MOD Set 1.2: A 89 TYR OH : rot 180:sc= -2.4! USER MOD Set 1.3: A 96 SER OG : rot 90:sc= 0.0458 USER MOD Set 2.1: A 64 SER OG : rot 180:sc=-0.00342 USER MOD Set 2.2: A 66 GLN : amide:sc= 0.178 X(o=0.17,f=-0.032!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 121:sc= 1.28 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.885 F(o=-2.2,f=-0.88) USER MOD Single : A 27 THR OG1 : rot 62:sc= 1.22 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= -0.114 (180deg=-1.48!) USER MOD Single : A 42 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.0024) USER MOD Single : A 43 THR OG1 : rot 69:sc= -2.14! USER MOD Single : A 47 ASN : amide:sc= -0.803 K(o=-0.8,f=-3.8!) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0797 F(o=-1,f=-0.08) USER MOD Single : A 49 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.092) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.6!) USER MOD Single : A 56 ASN :FLIP amide:sc= -1.74 F(o=-5.5!,f=-1.7) USER MOD Single : A 62 THR OG1 : rot -101:sc= 1.27 USER MOD Single : A 67 ASN : amide:sc= 0.613 K(o=0.61,f=-5.9!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.576 K(o=-0.58,f=-6.7!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 1.3 (180deg=1.06) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= -0.0558 (180deg=-0.341) USER MOD Single : A 85 THR OG1 : rot -5:sc= -1.1! USER MOD Single : A 87 ASN : amide:sc= -2.34 X(o=-2.3,f=-2!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -100:sc= -0.146 USER MOD Single : A 98 SER OG : rot -51:sc= 0.224 USER MOD Single : A 99 SER OG : rot -80:sc= -1.17 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 15.160 -6.379 1.267 1.00 0.00 N ATOM 27 CA ASP A 3 14.195 -6.370 2.349 1.00 0.00 C ATOM 28 C ASP A 3 13.362 -5.085 2.342 1.00 0.00 C ATOM 29 O ASP A 3 13.867 -3.987 2.554 1.00 0.00 O ATOM 30 CB ASP A 3 14.908 -6.554 3.691 1.00 0.00 C ATOM 31 CG ASP A 3 16.166 -5.712 3.834 1.00 0.00 C ATOM 32 OD1 ASP A 3 16.063 -4.507 4.136 1.00 0.00 O ATOM 33 OD2 ASP A 3 17.273 -6.265 3.658 1.00 0.00 O ATOM 0 HA ASP A 3 13.508 -7.203 2.202 1.00 0.00 H new ATOM 0 HB2 ASP A 3 14.219 -6.301 4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 3 15.169 -7.605 3.813 1.00 0.00 H new ATOM 38 N PRO A 4 12.063 -5.226 2.028 1.00 0.00 N ATOM 39 CA PRO A 4 11.096 -4.116 1.936 1.00 0.00 C ATOM 40 C PRO A 4 11.022 -3.170 3.148 1.00 0.00 C ATOM 41 O PRO A 4 10.318 -2.166 3.088 1.00 0.00 O ATOM 42 CB PRO A 4 9.746 -4.813 1.772 1.00 0.00 C ATOM 43 CG PRO A 4 10.002 -6.277 1.884 1.00 0.00 C ATOM 44 CD PRO A 4 11.452 -6.499 1.632 1.00 0.00 C ATOM 0 HA PRO A 4 11.400 -3.462 1.119 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.045 -4.483 2.539 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.300 -4.571 0.807 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.725 -6.640 2.874 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.399 -6.828 1.162 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.840 -7.331 2.220 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.647 -6.730 0.585 1.00 0.00 H new ATOM 52 N LYS A 5 11.750 -3.461 4.218 1.00 0.00 N ATOM 53 CA LYS A 5 11.671 -2.668 5.451 1.00 0.00 C ATOM 54 C LYS A 5 12.351 -1.299 5.330 1.00 0.00 C ATOM 55 O LYS A 5 12.652 -0.659 6.337 1.00 0.00 O ATOM 56 CB LYS A 5 12.224 -3.454 6.648 1.00 0.00 C ATOM 57 CG LYS A 5 13.540 -4.166 6.375 1.00 0.00 C ATOM 58 CD LYS A 5 14.734 -3.230 6.448 1.00 0.00 C ATOM 59 CE LYS A 5 15.134 -2.937 7.885 1.00 0.00 C ATOM 60 NZ LYS A 5 16.441 -2.234 7.960 1.00 0.00 N ATOM 0 H LYS A 5 12.405 -4.241 4.263 1.00 0.00 H new ATOM 0 HA LYS A 5 10.613 -2.471 5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 5 12.362 -2.769 7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.483 -4.191 6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.670 -4.972 7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.503 -4.626 5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.577 -3.674 5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.495 -2.296 5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.365 -2.327 8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.191 -3.871 8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.680 -2.051 8.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.179 -2.827 7.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.380 -1.331 7.447 1.00 0.00 H new ATOM 74 N HIS A 6 12.599 -0.881 4.095 1.00 0.00 N ATOM 75 CA HIS A 6 13.237 0.405 3.796 1.00 0.00 C ATOM 76 C HIS A 6 12.579 1.564 4.538 1.00 0.00 C ATOM 77 O HIS A 6 13.234 2.567 4.805 1.00 0.00 O ATOM 78 CB HIS A 6 13.125 0.740 2.307 1.00 0.00 C ATOM 79 CG HIS A 6 13.359 -0.390 1.366 1.00 0.00 C ATOM 80 ND1 HIS A 6 12.372 -1.276 0.999 1.00 0.00 N ATOM 81 CD2 HIS A 6 14.456 -0.749 0.687 1.00 0.00 C ATOM 82 CE1 HIS A 6 12.861 -2.136 0.129 1.00 0.00 C ATOM 83 NE2 HIS A 6 14.129 -1.841 -0.081 1.00 0.00 N ATOM 0 H HIS A 6 12.364 -1.424 3.264 1.00 0.00 H new ATOM 0 HA HIS A 6 14.275 0.293 4.108 1.00 0.00 H new ATOM 0 HB2 HIS A 6 12.130 1.143 2.119 1.00 0.00 H new ATOM 0 HB3 HIS A 6 13.838 1.532 2.078 1.00 0.00 H new ATOM 0 HD1 HIS A 6 11.413 -1.268 1.346 1.00 0.00 H new ATOM 0 HD2 HIS A 6 15.422 -0.268 0.734 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.316 -2.945 -0.334 1.00 0.00 H new ATOM 92 N VAL A 7 11.279 1.410 4.845 1.00 0.00 N ATOM 93 CA VAL A 7 10.409 2.501 5.305 1.00 0.00 C ATOM 94 C VAL A 7 10.528 3.694 4.364 1.00 0.00 C ATOM 95 O VAL A 7 10.911 3.531 3.208 1.00 0.00 O ATOM 96 CB VAL A 7 10.632 2.908 6.793 1.00 0.00 C ATOM 97 CG1 VAL A 7 10.572 1.679 7.682 1.00 0.00 C ATOM 98 CG2 VAL A 7 11.926 3.685 7.024 1.00 0.00 C ATOM 0 H VAL A 7 10.799 0.512 4.779 1.00 0.00 H new ATOM 0 HA VAL A 7 9.387 2.122 5.275 1.00 0.00 H new ATOM 0 HB VAL A 7 9.824 3.591 7.057 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.729 1.973 8.720 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.595 1.205 7.583 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.349 0.975 7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.016 3.935 8.081 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.776 3.074 6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.910 4.601 6.434 1.00 0.00 H new ATOM 108 N CYS A 8 10.147 4.873 4.807 1.00 0.00 N ATOM 109 CA CYS A 8 10.140 6.012 3.918 1.00 0.00 C ATOM 110 C CYS A 8 10.177 7.343 4.628 1.00 0.00 C ATOM 111 O CYS A 8 9.770 7.478 5.783 1.00 0.00 O ATOM 112 CB CYS A 8 8.885 5.954 3.079 1.00 0.00 C ATOM 113 SG CYS A 8 8.390 7.521 2.288 1.00 0.00 S ATOM 0 H CYS A 8 9.843 5.066 5.761 1.00 0.00 H new ATOM 0 HA CYS A 8 11.047 5.949 3.317 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.025 5.204 2.301 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.064 5.611 3.709 1.00 0.00 H new ATOM 118 N VAL A 9 10.669 8.316 3.886 1.00 0.00 N ATOM 119 CA VAL A 9 10.501 9.708 4.193 1.00 0.00 C ATOM 120 C VAL A 9 10.314 10.413 2.860 1.00 0.00 C ATOM 121 O VAL A 9 11.273 10.683 2.140 1.00 0.00 O ATOM 122 CB VAL A 9 11.759 10.240 4.894 1.00 0.00 C ATOM 123 CG1 VAL A 9 11.737 9.906 6.377 1.00 0.00 C ATOM 124 CG2 VAL A 9 12.972 9.612 4.229 1.00 0.00 C ATOM 0 H VAL A 9 11.207 8.149 3.036 1.00 0.00 H new ATOM 0 HA VAL A 9 9.652 9.874 4.856 1.00 0.00 H new ATOM 0 HB VAL A 9 11.798 11.326 4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.639 10.294 6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.861 10.360 6.839 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.696 8.824 6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.880 9.975 4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.919 8.528 4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.989 9.882 3.173 1.00 0.00 H new ATOM 134 N ASP A 10 9.077 10.686 2.533 1.00 0.00 N ATOM 135 CA ASP A 10 8.747 11.278 1.259 1.00 0.00 C ATOM 136 C ASP A 10 7.849 12.473 1.447 1.00 0.00 C ATOM 137 O ASP A 10 7.184 12.579 2.478 1.00 0.00 O ATOM 138 CB ASP A 10 8.081 10.230 0.366 1.00 0.00 C ATOM 139 CG ASP A 10 7.434 10.807 -0.886 1.00 0.00 C ATOM 140 OD1 ASP A 10 8.155 11.368 -1.739 1.00 0.00 O ATOM 141 OD2 ASP A 10 6.196 10.706 -1.024 1.00 0.00 O ATOM 0 H ASP A 10 8.274 10.506 3.136 1.00 0.00 H new ATOM 0 HA ASP A 10 9.662 11.622 0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.827 9.492 0.070 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.323 9.703 0.945 1.00 0.00 H new ATOM 146 N THR A 11 7.813 13.341 0.444 1.00 0.00 N ATOM 147 CA THR A 11 6.798 14.357 0.342 1.00 0.00 C ATOM 148 C THR A 11 6.764 15.298 1.571 1.00 0.00 C ATOM 149 O THR A 11 7.426 15.063 2.583 1.00 0.00 O ATOM 150 CB THR A 11 5.487 13.583 0.114 1.00 0.00 C ATOM 151 OG1 THR A 11 5.410 13.159 -1.254 1.00 0.00 O ATOM 152 CG2 THR A 11 4.237 14.339 0.479 1.00 0.00 C ATOM 0 H THR A 11 8.492 13.352 -0.317 1.00 0.00 H new ATOM 0 HA THR A 11 6.991 15.046 -0.480 1.00 0.00 H new ATOM 0 HB THR A 11 5.526 12.730 0.791 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.340 12.182 -1.290 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.365 13.715 0.285 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.267 14.602 1.536 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.174 15.248 -0.120 1.00 0.00 H new ATOM 160 N ARG A 12 6.052 16.407 1.464 1.00 0.00 N ATOM 161 CA ARG A 12 5.922 17.311 2.587 1.00 0.00 C ATOM 162 C ARG A 12 4.789 16.852 3.487 1.00 0.00 C ATOM 163 O ARG A 12 4.876 16.932 4.712 1.00 0.00 O ATOM 164 CB ARG A 12 5.671 18.730 2.110 1.00 0.00 C ATOM 165 CG ARG A 12 6.498 19.139 0.909 1.00 0.00 C ATOM 166 CD ARG A 12 7.972 18.818 1.102 1.00 0.00 C ATOM 167 NE ARG A 12 8.497 19.287 2.384 1.00 0.00 N ATOM 168 CZ ARG A 12 9.554 18.745 2.993 1.00 0.00 C ATOM 169 NH1 ARG A 12 10.176 17.702 2.452 1.00 0.00 N ATOM 170 NH2 ARG A 12 9.973 19.235 4.151 1.00 0.00 N ATOM 0 H ARG A 12 5.561 16.699 0.619 1.00 0.00 H new ATOM 0 HA ARG A 12 6.855 17.302 3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.615 18.836 1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.877 19.418 2.930 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.128 18.626 0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.379 20.208 0.733 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.116 17.740 1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.546 19.271 0.293 1.00 0.00 H new ATOM 0 HE ARG A 12 8.030 20.072 2.838 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.846 17.313 1.569 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.983 17.291 2.920 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.488 20.025 4.576 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.781 18.822 4.617 1.00 0.00 H new ATOM 184 N ASP A 13 3.730 16.363 2.862 1.00 0.00 N ATOM 185 CA ASP A 13 2.583 15.835 3.592 1.00 0.00 C ATOM 186 C ASP A 13 1.859 14.768 2.772 1.00 0.00 C ATOM 187 O ASP A 13 1.039 15.088 1.911 1.00 0.00 O ATOM 188 CB ASP A 13 1.620 16.970 3.944 1.00 0.00 C ATOM 189 CG ASP A 13 0.449 16.503 4.784 1.00 0.00 C ATOM 190 OD1 ASP A 13 0.679 15.978 5.893 1.00 0.00 O ATOM 191 OD2 ASP A 13 -0.708 16.688 4.354 1.00 0.00 O ATOM 0 H ASP A 13 3.639 16.320 1.847 1.00 0.00 H new ATOM 0 HA ASP A 13 2.944 15.373 4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.162 17.747 4.483 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.246 17.422 3.025 1.00 0.00 H new ATOM 196 N ILE A 14 2.199 13.504 3.015 1.00 0.00 N ATOM 197 CA ILE A 14 1.525 12.384 2.354 1.00 0.00 C ATOM 198 C ILE A 14 0.069 12.350 2.785 1.00 0.00 C ATOM 199 O ILE A 14 -0.240 12.607 3.948 1.00 0.00 O ATOM 200 CB ILE A 14 2.230 11.033 2.662 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.624 11.034 2.047 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.444 9.836 2.145 1.00 0.00 C ATOM 203 CD1 ILE A 14 4.732 11.038 3.066 1.00 0.00 C ATOM 0 H ILE A 14 2.936 13.228 3.664 1.00 0.00 H new ATOM 0 HA ILE A 14 1.577 12.531 1.275 1.00 0.00 H new ATOM 0 HB ILE A 14 2.293 10.937 3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.731 10.157 1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.728 11.909 1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.979 8.918 2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.460 9.816 2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.329 9.916 1.064 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.695 11.038 2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.651 11.929 3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.654 10.149 3.692 1.00 0.00 H new ATOM 215 N PRO A 15 -0.841 12.054 1.843 1.00 0.00 N ATOM 216 CA PRO A 15 -2.284 12.128 2.072 1.00 0.00 C ATOM 217 C PRO A 15 -2.739 11.339 3.284 1.00 0.00 C ATOM 218 O PRO A 15 -2.105 10.362 3.683 1.00 0.00 O ATOM 219 CB PRO A 15 -2.861 11.490 0.813 1.00 0.00 C ATOM 220 CG PRO A 15 -1.846 11.757 -0.225 1.00 0.00 C ATOM 221 CD PRO A 15 -0.544 11.577 0.479 1.00 0.00 C ATOM 0 HA PRO A 15 -2.603 13.153 2.261 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.022 10.420 0.947 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.824 11.927 0.550 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.944 11.068 -1.064 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.944 12.765 -0.628 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.223 10.535 0.476 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.252 12.157 0.012 1.00 0.00 H new ATOM 229 N LYS A 16 -3.835 11.776 3.872 1.00 0.00 N ATOM 230 CA LYS A 16 -4.514 10.991 4.869 1.00 0.00 C ATOM 231 C LYS A 16 -4.993 9.716 4.197 1.00 0.00 C ATOM 232 O LYS A 16 -5.277 9.732 3.002 1.00 0.00 O ATOM 233 CB LYS A 16 -5.689 11.785 5.431 1.00 0.00 C ATOM 234 CG LYS A 16 -6.378 11.135 6.611 1.00 0.00 C ATOM 235 CD LYS A 16 -5.463 11.053 7.821 1.00 0.00 C ATOM 236 CE LYS A 16 -6.179 10.467 9.027 1.00 0.00 C ATOM 237 NZ LYS A 16 -5.294 10.405 10.221 1.00 0.00 N ATOM 0 H LYS A 16 -4.272 12.676 3.671 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.850 10.746 5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.334 12.771 5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.421 11.937 4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.272 11.703 6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.706 10.133 6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.594 10.440 7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.093 12.049 8.066 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.057 11.071 9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.535 9.465 8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.819 10.000 11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.469 9.808 10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.974 11.364 10.466 1.00 0.00 H new ATOM 251 N ASN A 17 -5.066 8.626 4.949 1.00 0.00 N ATOM 252 CA ASN A 17 -5.456 7.314 4.404 1.00 0.00 C ATOM 253 C ASN A 17 -4.396 6.809 3.424 1.00 0.00 C ATOM 254 O ASN A 17 -4.600 5.823 2.714 1.00 0.00 O ATOM 255 CB ASN A 17 -6.819 7.377 3.694 1.00 0.00 C ATOM 256 CG ASN A 17 -7.879 8.085 4.501 1.00 0.00 C ATOM 257 OD1 ASN A 17 -7.916 9.393 4.360 1.00 0.00 O flip ATOM 258 ND2 ASN A 17 -8.641 7.472 5.248 1.00 0.00 N flip ATOM 0 H ASN A 17 -4.860 8.616 5.948 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.538 6.624 5.244 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.700 7.886 2.738 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.155 6.363 3.476 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.574 6.457 5.324 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.340 7.979 5.791 1.00 0.00 H new ATOM 265 N ALA A 18 -3.277 7.513 3.378 1.00 0.00 N ATOM 266 CA ALA A 18 -2.162 7.148 2.520 1.00 0.00 C ATOM 267 C ALA A 18 -0.921 6.846 3.335 1.00 0.00 C ATOM 268 O ALA A 18 -0.873 7.073 4.543 1.00 0.00 O ATOM 269 CB ALA A 18 -1.846 8.250 1.514 1.00 0.00 C ATOM 0 H ALA A 18 -3.116 8.353 3.934 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.462 6.252 1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.007 7.943 0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.719 8.431 0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.586 9.165 2.046 1.00 0.00 H new ATOM 275 N GLY A 19 0.069 6.310 2.657 1.00 0.00 N ATOM 276 CA GLY A 19 1.349 6.054 3.269 1.00 0.00 C ATOM 277 C GLY A 19 2.466 6.141 2.261 1.00 0.00 C ATOM 278 O GLY A 19 2.259 5.862 1.081 1.00 0.00 O ATOM 0 H GLY A 19 0.009 6.042 1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.522 6.773 4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.345 5.064 3.725 1.00 0.00 H new ATOM 282 N CYS A 20 3.649 6.511 2.714 1.00 0.00 N ATOM 283 CA CYS A 20 4.757 6.743 1.811 1.00 0.00 C ATOM 284 C CYS A 20 5.794 5.652 1.935 1.00 0.00 C ATOM 285 O CYS A 20 5.927 5.014 2.983 1.00 0.00 O ATOM 286 CB CYS A 20 5.411 8.095 2.064 1.00 0.00 C ATOM 287 SG CYS A 20 6.731 8.081 3.325 1.00 0.00 S ATOM 0 H CYS A 20 3.866 6.657 3.700 1.00 0.00 H new ATOM 0 HA CYS A 20 4.350 6.737 0.800 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.827 8.463 1.126 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.642 8.804 2.371 1.00 0.00 H new ATOM 292 N PHE A 21 6.495 5.414 0.848 1.00 0.00 N ATOM 293 CA PHE A 21 7.574 4.458 0.834 1.00 0.00 C ATOM 294 C PHE A 21 8.772 4.967 0.039 1.00 0.00 C ATOM 295 O PHE A 21 8.633 5.463 -1.064 1.00 0.00 O ATOM 296 CB PHE A 21 7.101 3.165 0.249 1.00 0.00 C ATOM 297 CG PHE A 21 8.233 2.276 -0.140 1.00 0.00 C ATOM 298 CD1 PHE A 21 9.072 1.785 0.825 1.00 0.00 C ATOM 299 CD2 PHE A 21 8.464 1.941 -1.457 1.00 0.00 C ATOM 300 CE1 PHE A 21 10.122 0.972 0.499 1.00 0.00 C ATOM 301 CE2 PHE A 21 9.521 1.128 -1.788 1.00 0.00 C ATOM 302 CZ PHE A 21 10.349 0.643 -0.793 1.00 0.00 C ATOM 0 H PHE A 21 6.332 5.877 -0.046 1.00 0.00 H new ATOM 0 HA PHE A 21 7.893 4.307 1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.469 2.650 0.973 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.483 3.368 -0.626 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.902 2.044 1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.812 2.319 -2.231 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.771 0.592 1.274 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.704 0.869 -2.820 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.179 0.000 -1.048 1.00 0.00 H new ATOM 312 N ARG A 22 9.948 4.792 0.609 1.00 0.00 N ATOM 313 CA ARG A 22 11.187 5.179 -0.021 1.00 0.00 C ATOM 314 C ARG A 22 12.108 3.973 -0.033 1.00 0.00 C ATOM 315 O ARG A 22 12.442 3.425 1.015 1.00 0.00 O ATOM 316 CB ARG A 22 11.818 6.355 0.718 1.00 0.00 C ATOM 317 CG ARG A 22 13.314 6.399 0.587 1.00 0.00 C ATOM 318 CD ARG A 22 13.906 7.604 1.256 1.00 0.00 C ATOM 319 NE ARG A 22 14.413 8.530 0.268 1.00 0.00 N ATOM 320 CZ ARG A 22 15.458 9.335 0.466 1.00 0.00 C ATOM 321 NH1 ARG A 22 16.182 9.235 1.579 1.00 0.00 N ATOM 322 NH2 ARG A 22 15.792 10.224 -0.456 1.00 0.00 N ATOM 0 H ARG A 22 10.067 4.373 1.531 1.00 0.00 H new ATOM 0 HA ARG A 22 11.006 5.506 -1.045 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.398 7.285 0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.553 6.297 1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.742 5.496 1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.585 6.402 -0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.151 8.095 1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.711 7.298 1.924 1.00 0.00 H new ATOM 0 HE ARG A 22 13.943 8.570 -0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.938 8.540 2.285 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.980 9.853 1.725 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.250 10.293 -1.318 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.591 10.840 -0.305 1.00 0.00 H new ATOM 336 N ASP A 23 12.514 3.551 -1.207 1.00 0.00 N ATOM 337 CA ASP A 23 13.093 2.227 -1.351 1.00 0.00 C ATOM 338 C ASP A 23 14.616 2.225 -1.306 1.00 0.00 C ATOM 339 O ASP A 23 15.245 3.197 -0.888 1.00 0.00 O ATOM 340 CB ASP A 23 12.624 1.578 -2.647 1.00 0.00 C ATOM 341 CG ASP A 23 13.388 2.055 -3.867 1.00 0.00 C ATOM 342 OD1 ASP A 23 13.488 3.278 -4.073 1.00 0.00 O ATOM 343 OD2 ASP A 23 13.928 1.195 -4.596 1.00 0.00 O ATOM 0 H ASP A 23 12.458 4.093 -2.069 1.00 0.00 H new ATOM 0 HA ASP A 23 12.745 1.652 -0.493 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.728 0.496 -2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.563 1.787 -2.787 1.00 0.00 H new ATOM 348 N ASP A 24 15.189 1.110 -1.751 1.00 0.00 N ATOM 349 CA ASP A 24 16.632 0.903 -1.763 1.00 0.00 C ATOM 350 C ASP A 24 17.325 1.907 -2.679 1.00 0.00 C ATOM 351 O ASP A 24 18.416 2.397 -2.373 1.00 0.00 O ATOM 352 CB ASP A 24 16.926 -0.528 -2.216 1.00 0.00 C ATOM 353 CG ASP A 24 18.398 -0.795 -2.449 1.00 0.00 C ATOM 354 OD1 ASP A 24 19.178 -0.714 -1.487 1.00 0.00 O ATOM 355 OD2 ASP A 24 18.766 -1.124 -3.597 1.00 0.00 O ATOM 0 H ASP A 24 14.659 0.319 -2.116 1.00 0.00 H new ATOM 0 HA ASP A 24 17.021 1.057 -0.756 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.553 -1.223 -1.464 1.00 0.00 H new ATOM 0 HB3 ASP A 24 16.378 -0.730 -3.136 1.00 0.00 H new ATOM 360 N ASP A 25 16.671 2.236 -3.788 1.00 0.00 N ATOM 361 CA ASP A 25 17.217 3.201 -4.736 1.00 0.00 C ATOM 362 C ASP A 25 17.235 4.602 -4.132 1.00 0.00 C ATOM 363 O ASP A 25 18.115 5.411 -4.427 1.00 0.00 O ATOM 364 CB ASP A 25 16.384 3.203 -6.022 1.00 0.00 C ATOM 365 CG ASP A 25 16.662 4.409 -6.902 1.00 0.00 C ATOM 366 OD1 ASP A 25 17.592 4.346 -7.732 1.00 0.00 O ATOM 367 OD2 ASP A 25 15.948 5.425 -6.765 1.00 0.00 O ATOM 0 H ASP A 25 15.765 1.850 -4.052 1.00 0.00 H new ATOM 0 HA ASP A 25 18.241 2.909 -4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 25 16.591 2.293 -6.585 1.00 0.00 H new ATOM 0 HB3 ASP A 25 15.325 3.184 -5.764 1.00 0.00 H new ATOM 372 N GLY A 26 16.296 4.856 -3.238 1.00 0.00 N ATOM 373 CA GLY A 26 16.136 6.185 -2.686 1.00 0.00 C ATOM 374 C GLY A 26 14.884 6.836 -3.207 1.00 0.00 C ATOM 375 O GLY A 26 14.514 7.934 -2.792 1.00 0.00 O ATOM 0 H GLY A 26 15.638 4.163 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.096 6.129 -1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.002 6.796 -2.942 1.00 0.00 H new ATOM 379 N THR A 27 14.237 6.136 -4.124 1.00 0.00 N ATOM 380 CA THR A 27 12.977 6.562 -4.692 1.00 0.00 C ATOM 381 C THR A 27 11.919 6.686 -3.610 1.00 0.00 C ATOM 382 O THR A 27 11.727 5.771 -2.812 1.00 0.00 O ATOM 383 CB THR A 27 12.501 5.542 -5.730 1.00 0.00 C ATOM 384 OG1 THR A 27 13.362 5.558 -6.879 1.00 0.00 O ATOM 385 CG2 THR A 27 11.064 5.797 -6.157 1.00 0.00 C ATOM 0 H THR A 27 14.578 5.249 -4.496 1.00 0.00 H new ATOM 0 HA THR A 27 13.128 7.533 -5.164 1.00 0.00 H new ATOM 0 HB THR A 27 12.541 4.559 -5.261 1.00 0.00 H new ATOM 0 HG1 THR A 27 14.271 5.309 -6.610 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.766 5.051 -6.894 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.409 5.731 -5.288 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.986 6.792 -6.595 1.00 0.00 H new ATOM 393 N GLU A 28 11.236 7.812 -3.590 1.00 0.00 N ATOM 394 CA GLU A 28 10.203 8.055 -2.609 1.00 0.00 C ATOM 395 C GLU A 28 8.840 8.101 -3.281 1.00 0.00 C ATOM 396 O GLU A 28 8.657 8.775 -4.296 1.00 0.00 O ATOM 397 CB GLU A 28 10.496 9.359 -1.886 1.00 0.00 C ATOM 398 CG GLU A 28 11.810 9.341 -1.130 1.00 0.00 C ATOM 399 CD GLU A 28 12.468 10.708 -1.101 1.00 0.00 C ATOM 400 OE1 GLU A 28 11.945 11.622 -0.437 1.00 0.00 O ATOM 401 OE2 GLU A 28 13.507 10.877 -1.772 1.00 0.00 O ATOM 0 H GLU A 28 11.381 8.578 -4.248 1.00 0.00 H new ATOM 0 HA GLU A 28 10.190 7.243 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.512 10.173 -2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.686 9.570 -1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.636 9.001 -0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.486 8.623 -1.595 1.00 0.00 H new ATOM 408 N GLU A 29 7.901 7.354 -2.731 1.00 0.00 N ATOM 409 CA GLU A 29 6.567 7.258 -3.295 1.00 0.00 C ATOM 410 C GLU A 29 5.543 7.263 -2.179 1.00 0.00 C ATOM 411 O GLU A 29 5.898 7.113 -1.016 1.00 0.00 O ATOM 412 CB GLU A 29 6.442 5.956 -4.088 1.00 0.00 C ATOM 413 CG GLU A 29 5.151 5.825 -4.876 1.00 0.00 C ATOM 414 CD GLU A 29 4.960 6.957 -5.861 1.00 0.00 C ATOM 415 OE1 GLU A 29 5.572 6.909 -6.953 1.00 0.00 O ATOM 416 OE2 GLU A 29 4.204 7.895 -5.546 1.00 0.00 O ATOM 0 H GLU A 29 8.040 6.800 -1.886 1.00 0.00 H new ATOM 0 HA GLU A 29 6.392 8.108 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.283 5.882 -4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.520 5.116 -3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.151 4.876 -5.412 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.308 5.801 -4.186 1.00 0.00 H new ATOM 423 N TRP A 30 4.286 7.444 -2.521 1.00 0.00 N ATOM 424 CA TRP A 30 3.225 7.197 -1.575 1.00 0.00 C ATOM 425 C TRP A 30 2.058 6.511 -2.271 1.00 0.00 C ATOM 426 O TRP A 30 1.884 6.619 -3.485 1.00 0.00 O ATOM 427 CB TRP A 30 2.790 8.480 -0.849 1.00 0.00 C ATOM 428 CG TRP A 30 2.226 9.546 -1.730 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.847 10.691 -2.131 1.00 0.00 C ATOM 430 CD2 TRP A 30 0.916 9.575 -2.296 1.00 0.00 C ATOM 431 NE1 TRP A 30 2.002 11.429 -2.921 1.00 0.00 N ATOM 432 CE2 TRP A 30 0.810 10.764 -3.039 1.00 0.00 C ATOM 433 CE3 TRP A 30 -0.175 8.706 -2.249 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.348 11.105 -3.728 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.323 9.050 -2.935 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.401 10.241 -3.664 1.00 0.00 C ATOM 0 H TRP A 30 3.977 7.759 -3.441 1.00 0.00 H new ATOM 0 HA TRP A 30 3.604 6.528 -0.803 1.00 0.00 H new ATOM 0 HB2 TRP A 30 2.045 8.219 -0.098 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.650 8.887 -0.317 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.855 10.975 -1.866 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.225 12.327 -3.351 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.123 7.784 -1.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.412 12.022 -4.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.176 8.388 -2.908 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.315 10.482 -4.187 1.00 0.00 H new ATOM 447 N ARG A 31 1.286 5.783 -1.493 1.00 0.00 N ATOM 448 CA ARG A 31 0.150 5.019 -1.994 1.00 0.00 C ATOM 449 C ARG A 31 -1.006 5.141 -1.027 1.00 0.00 C ATOM 450 O ARG A 31 -0.890 5.788 0.010 1.00 0.00 O ATOM 451 CB ARG A 31 0.480 3.539 -2.183 1.00 0.00 C ATOM 452 CG ARG A 31 1.499 3.246 -3.266 1.00 0.00 C ATOM 453 CD ARG A 31 1.481 1.774 -3.661 1.00 0.00 C ATOM 454 NE ARG A 31 2.683 1.395 -4.406 1.00 0.00 N ATOM 455 CZ ARG A 31 2.885 0.195 -4.952 1.00 0.00 C ATOM 456 NH1 ARG A 31 1.988 -0.774 -4.810 1.00 0.00 N ATOM 457 NH2 ARG A 31 4.008 -0.048 -5.616 1.00 0.00 N ATOM 0 H ARG A 31 1.425 5.700 -0.486 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.112 5.431 -2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.851 3.141 -1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.440 3.003 -2.416 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.290 3.862 -4.141 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.494 3.518 -2.915 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.400 1.158 -2.765 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.599 1.572 -4.268 1.00 0.00 H new ATOM 0 HE ARG A 31 3.416 2.096 -4.515 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.134 -0.604 -4.279 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.153 -1.688 -5.232 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.714 0.682 -5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.165 -0.965 -6.034 1.00 0.00 H new ATOM 471 N CYS A 32 -2.099 4.481 -1.351 1.00 0.00 N ATOM 472 CA CYS A 32 -3.311 4.579 -0.564 1.00 0.00 C ATOM 473 C CYS A 32 -3.547 3.257 0.120 1.00 0.00 C ATOM 474 O CYS A 32 -3.530 2.204 -0.517 1.00 0.00 O ATOM 475 CB CYS A 32 -4.506 4.889 -1.469 1.00 0.00 C ATOM 476 SG CYS A 32 -4.315 6.409 -2.440 1.00 0.00 S ATOM 0 H CYS A 32 -2.172 3.866 -2.161 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.203 5.378 0.169 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.661 4.052 -2.149 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.403 4.972 -0.855 1.00 0.00 H new ATOM 481 N LEU A 33 -3.723 3.334 1.433 1.00 0.00 N ATOM 482 CA LEU A 33 -3.805 2.155 2.282 1.00 0.00 C ATOM 483 C LEU A 33 -4.875 1.183 1.795 1.00 0.00 C ATOM 484 O LEU A 33 -5.764 1.537 1.017 1.00 0.00 O ATOM 485 CB LEU A 33 -4.084 2.547 3.737 1.00 0.00 C ATOM 486 CG LEU A 33 -3.175 3.619 4.358 1.00 0.00 C ATOM 487 CD1 LEU A 33 -3.071 3.404 5.857 1.00 0.00 C ATOM 488 CD2 LEU A 33 -1.792 3.646 3.726 1.00 0.00 C ATOM 0 H LEU A 33 -3.813 4.216 1.938 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.839 1.654 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.114 2.898 3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.014 1.648 4.349 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.631 4.589 4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.425 4.168 6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.063 3.472 6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.650 2.418 6.055 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.190 4.421 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.311 2.678 3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.883 3.859 2.661 1.00 0.00 H new ATOM 500 N LEU A 34 -4.781 -0.037 2.282 1.00 0.00 N ATOM 501 CA LEU A 34 -5.556 -1.143 1.777 1.00 0.00 C ATOM 502 C LEU A 34 -7.042 -0.955 2.006 1.00 0.00 C ATOM 503 O LEU A 34 -7.484 -0.674 3.119 1.00 0.00 O ATOM 504 CB LEU A 34 -5.054 -2.424 2.423 1.00 0.00 C ATOM 505 CG LEU A 34 -3.549 -2.617 2.277 1.00 0.00 C ATOM 506 CD1 LEU A 34 -3.099 -3.923 2.896 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.164 -2.549 0.811 1.00 0.00 C ATOM 0 H LEU A 34 -4.156 -0.288 3.048 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.424 -1.199 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.312 -2.415 3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.568 -3.275 1.976 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.042 -1.814 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.021 -4.031 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.347 -3.927 3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.604 -4.753 2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.087 -2.687 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.684 -3.334 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.444 -1.577 0.406 1.00 0.00 H new ATOM 519 N GLY A 35 -7.799 -1.109 0.934 1.00 0.00 N ATOM 520 CA GLY A 35 -9.225 -0.910 0.993 1.00 0.00 C ATOM 521 C GLY A 35 -9.614 0.466 0.520 1.00 0.00 C ATOM 522 O GLY A 35 -10.775 0.725 0.244 1.00 0.00 O ATOM 0 H GLY A 35 -7.444 -1.371 0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.723 -1.660 0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.571 -1.055 2.017 1.00 0.00 H new ATOM 526 N TYR A 36 -8.634 1.350 0.410 1.00 0.00 N ATOM 527 CA TYR A 36 -8.907 2.737 0.089 1.00 0.00 C ATOM 528 C TYR A 36 -8.737 2.985 -1.397 1.00 0.00 C ATOM 529 O TYR A 36 -8.460 2.064 -2.165 1.00 0.00 O ATOM 530 CB TYR A 36 -7.986 3.655 0.883 1.00 0.00 C ATOM 531 CG TYR A 36 -8.100 3.477 2.379 1.00 0.00 C ATOM 532 CD1 TYR A 36 -9.061 2.643 2.941 1.00 0.00 C ATOM 533 CD2 TYR A 36 -7.235 4.134 3.225 1.00 0.00 C ATOM 534 CE1 TYR A 36 -9.153 2.474 4.306 1.00 0.00 C ATOM 535 CE2 TYR A 36 -7.315 3.973 4.594 1.00 0.00 C ATOM 536 CZ TYR A 36 -8.275 3.141 5.132 1.00 0.00 C ATOM 537 OH TYR A 36 -8.355 2.971 6.497 1.00 0.00 O ATOM 0 H TYR A 36 -7.646 1.130 0.538 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.940 2.955 0.360 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.955 3.471 0.581 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.213 4.691 0.630 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.749 2.117 2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.481 4.787 2.811 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.907 1.824 4.724 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.628 4.497 5.242 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.664 3.511 6.935 1.00 0.00 H new ATOM 547 N LYS A 37 -8.903 4.232 -1.796 1.00 0.00 N ATOM 548 CA LYS A 37 -8.834 4.593 -3.193 1.00 0.00 C ATOM 549 C LYS A 37 -8.192 5.958 -3.348 1.00 0.00 C ATOM 550 O LYS A 37 -7.915 6.642 -2.361 1.00 0.00 O ATOM 551 CB LYS A 37 -10.240 4.611 -3.787 1.00 0.00 C ATOM 552 CG LYS A 37 -11.165 5.613 -3.119 1.00 0.00 C ATOM 553 CD LYS A 37 -12.555 5.581 -3.724 1.00 0.00 C ATOM 554 CE LYS A 37 -13.434 6.683 -3.155 1.00 0.00 C ATOM 555 NZ LYS A 37 -14.765 6.732 -3.809 1.00 0.00 N ATOM 0 H LYS A 37 -9.087 5.013 -1.166 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.228 3.857 -3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.174 4.842 -4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.674 3.615 -3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.227 5.397 -2.052 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.748 6.615 -3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.485 5.692 -4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.015 4.611 -3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.563 6.526 -2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.935 7.644 -3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.330 7.498 -3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.645 6.908 -4.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.254 5.825 -3.670 1.00 0.00 H new ATOM 569 N LYS A 38 -7.964 6.342 -4.591 1.00 0.00 N ATOM 570 CA LYS A 38 -7.416 7.650 -4.897 1.00 0.00 C ATOM 571 C LYS A 38 -8.554 8.628 -5.112 1.00 0.00 C ATOM 572 O LYS A 38 -9.494 8.343 -5.854 1.00 0.00 O ATOM 573 CB LYS A 38 -6.535 7.578 -6.144 1.00 0.00 C ATOM 574 CG LYS A 38 -5.597 8.760 -6.278 1.00 0.00 C ATOM 575 CD LYS A 38 -4.542 8.747 -5.188 1.00 0.00 C ATOM 576 CE LYS A 38 -3.358 7.868 -5.558 1.00 0.00 C ATOM 577 NZ LYS A 38 -3.673 6.419 -5.461 1.00 0.00 N ATOM 0 H LYS A 38 -8.151 5.762 -5.409 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.800 7.989 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.950 6.659 -6.116 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.170 7.524 -7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.115 8.736 -7.255 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.167 9.688 -6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.196 9.764 -5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.984 8.389 -4.258 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.041 8.100 -6.575 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.519 8.099 -4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.790 5.877 -5.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.272 6.249 -4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.178 6.115 -6.318 1.00 0.00 H new ATOM 591 N GLY A 39 -8.472 9.771 -4.449 1.00 0.00 N ATOM 592 CA GLY A 39 -9.549 10.730 -4.500 1.00 0.00 C ATOM 593 C GLY A 39 -9.364 11.774 -5.581 1.00 0.00 C ATOM 594 O GLY A 39 -9.835 11.608 -6.702 1.00 0.00 O ATOM 0 H GLY A 39 -7.676 10.050 -3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.489 10.204 -4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.631 11.227 -3.533 1.00 0.00 H new ATOM 598 N GLU A 40 -8.674 12.851 -5.245 1.00 0.00 N ATOM 599 CA GLU A 40 -8.506 13.965 -6.160 1.00 0.00 C ATOM 600 C GLU A 40 -7.088 14.018 -6.728 1.00 0.00 C ATOM 601 O GLU A 40 -6.384 15.024 -6.610 1.00 0.00 O ATOM 602 CB GLU A 40 -8.858 15.264 -5.435 1.00 0.00 C ATOM 603 CG GLU A 40 -7.978 15.558 -4.230 1.00 0.00 C ATOM 604 CD GLU A 40 -8.530 16.670 -3.367 1.00 0.00 C ATOM 605 OE1 GLU A 40 -9.522 16.428 -2.652 1.00 0.00 O ATOM 606 OE2 GLU A 40 -7.982 17.791 -3.399 1.00 0.00 O ATOM 0 H GLU A 40 -8.220 12.977 -4.341 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.178 13.830 -7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.782 16.093 -6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.897 15.217 -5.110 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.875 14.654 -3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.979 15.829 -4.571 1.00 0.00 H new ATOM 613 N GLY A 41 -6.666 12.929 -7.342 1.00 0.00 N ATOM 614 CA GLY A 41 -5.361 12.895 -7.965 1.00 0.00 C ATOM 615 C GLY A 41 -4.266 12.483 -7.006 1.00 0.00 C ATOM 616 O GLY A 41 -3.634 11.440 -7.181 1.00 0.00 O ATOM 0 H GLY A 41 -7.203 12.065 -7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.382 12.201 -8.805 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.131 13.880 -8.371 1.00 0.00 H new ATOM 620 N ASN A 42 -4.046 13.294 -5.984 1.00 0.00 N ATOM 621 CA ASN A 42 -2.981 13.032 -5.030 1.00 0.00 C ATOM 622 C ASN A 42 -3.518 12.941 -3.608 1.00 0.00 C ATOM 623 O ASN A 42 -2.918 13.454 -2.666 1.00 0.00 O ATOM 624 CB ASN A 42 -1.882 14.100 -5.132 1.00 0.00 C ATOM 625 CG ASN A 42 -2.382 15.514 -4.882 1.00 0.00 C ATOM 626 OD1 ASN A 42 -2.848 16.192 -5.799 1.00 0.00 O ATOM 627 ND2 ASN A 42 -2.265 15.979 -3.649 1.00 0.00 N ATOM 0 H ASN A 42 -4.589 14.137 -5.794 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.543 12.066 -5.280 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.095 13.869 -4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.432 14.053 -6.124 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.566 16.929 -3.432 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.874 15.387 -2.916 1.00 0.00 H new ATOM 634 N THR A 43 -4.641 12.260 -3.455 1.00 0.00 N ATOM 635 CA THR A 43 -5.207 12.026 -2.139 1.00 0.00 C ATOM 636 C THR A 43 -5.698 10.612 -2.008 1.00 0.00 C ATOM 637 O THR A 43 -6.140 10.001 -2.979 1.00 0.00 O ATOM 638 CB THR A 43 -6.376 12.956 -1.802 1.00 0.00 C ATOM 639 OG1 THR A 43 -7.345 12.968 -2.854 1.00 0.00 O ATOM 640 CG2 THR A 43 -5.872 14.355 -1.531 1.00 0.00 C ATOM 0 H THR A 43 -5.178 11.860 -4.225 1.00 0.00 H new ATOM 0 HA THR A 43 -4.393 12.227 -1.442 1.00 0.00 H new ATOM 0 HB THR A 43 -6.862 12.578 -0.903 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.796 12.099 -2.893 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.714 15.005 -1.293 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.179 14.336 -0.690 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.359 14.735 -2.415 1.00 0.00 H new ATOM 648 N CYS A 44 -5.632 10.105 -0.804 1.00 0.00 N ATOM 649 CA CYS A 44 -6.142 8.790 -0.518 1.00 0.00 C ATOM 650 C CYS A 44 -7.333 8.898 0.402 1.00 0.00 C ATOM 651 O CYS A 44 -7.349 9.697 1.334 1.00 0.00 O ATOM 652 CB CYS A 44 -5.044 7.922 0.069 1.00 0.00 C ATOM 653 SG CYS A 44 -3.634 7.728 -1.065 1.00 0.00 S ATOM 0 H CYS A 44 -5.227 10.587 -0.001 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.475 8.312 -1.439 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.697 8.362 1.004 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.451 6.940 0.310 1.00 0.00 H new ATOM 658 N VAL A 45 -8.342 8.118 0.104 1.00 0.00 N ATOM 659 CA VAL A 45 -9.606 8.196 0.802 1.00 0.00 C ATOM 660 C VAL A 45 -10.173 6.811 0.997 1.00 0.00 C ATOM 661 O VAL A 45 -9.951 5.918 0.179 1.00 0.00 O ATOM 662 CB VAL A 45 -10.627 9.064 0.031 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.191 10.524 0.012 1.00 0.00 C ATOM 664 CG2 VAL A 45 -10.807 8.554 -1.392 1.00 0.00 C ATOM 0 H VAL A 45 -8.313 7.410 -0.629 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.422 8.662 1.770 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.583 8.993 0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.924 11.116 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.116 10.895 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.220 10.607 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.530 9.181 -1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.851 8.589 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.169 7.526 -1.367 1.00 0.00 H new ATOM 674 N GLU A 46 -10.879 6.639 2.095 1.00 0.00 N ATOM 675 CA GLU A 46 -11.461 5.360 2.436 1.00 0.00 C ATOM 676 C GLU A 46 -12.477 4.913 1.402 1.00 0.00 C ATOM 677 O GLU A 46 -13.544 5.507 1.259 1.00 0.00 O ATOM 678 CB GLU A 46 -12.138 5.438 3.796 1.00 0.00 C ATOM 679 CG GLU A 46 -11.260 5.009 4.956 1.00 0.00 C ATOM 680 CD GLU A 46 -11.955 5.177 6.288 1.00 0.00 C ATOM 681 OE1 GLU A 46 -12.687 4.251 6.700 1.00 0.00 O ATOM 682 OE2 GLU A 46 -11.793 6.241 6.919 1.00 0.00 O ATOM 0 H GLU A 46 -11.064 7.379 2.773 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.651 4.631 2.463 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.469 6.463 3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.031 4.813 3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.973 3.965 4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.341 5.595 4.951 1.00 0.00 H new ATOM 689 N ASN A 47 -12.135 3.867 0.684 1.00 0.00 N ATOM 690 CA ASN A 47 -13.061 3.245 -0.236 1.00 0.00 C ATOM 691 C ASN A 47 -13.810 2.149 0.506 1.00 0.00 C ATOM 692 O ASN A 47 -13.207 1.308 1.162 1.00 0.00 O ATOM 693 CB ASN A 47 -12.306 2.695 -1.451 1.00 0.00 C ATOM 694 CG ASN A 47 -13.189 1.959 -2.433 1.00 0.00 C ATOM 695 OD1 ASN A 47 -14.395 2.188 -2.510 1.00 0.00 O ATOM 696 ND2 ASN A 47 -12.577 1.091 -3.219 1.00 0.00 N ATOM 0 H ASN A 47 -11.216 3.426 0.720 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.780 3.974 -0.608 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.814 3.520 -1.966 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.521 2.022 -1.106 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.107 0.580 -3.925 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.574 0.932 -3.120 1.00 0.00 H new ATOM 703 N ASN A 48 -15.124 2.185 0.452 1.00 0.00 N ATOM 704 CA ASN A 48 -15.928 1.207 1.168 1.00 0.00 C ATOM 705 C ASN A 48 -16.351 0.090 0.238 1.00 0.00 C ATOM 706 O ASN A 48 -17.049 -0.841 0.638 1.00 0.00 O ATOM 707 CB ASN A 48 -17.146 1.864 1.813 1.00 0.00 C ATOM 708 CG ASN A 48 -16.870 2.320 3.233 1.00 0.00 C ATOM 709 OD1 ASN A 48 -15.604 2.564 3.544 1.00 0.00 O flip ATOM 710 ND2 ASN A 48 -17.782 2.425 4.052 1.00 0.00 N flip ATOM 0 H ASN A 48 -15.659 2.875 -0.075 1.00 0.00 H new ATOM 0 HA ASN A 48 -15.317 0.782 1.965 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -17.455 2.720 1.213 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -17.978 1.159 1.815 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.743 2.228 3.773 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.577 2.709 5.010 1.00 0.00 H new ATOM 717 N ASN A 49 -15.902 0.178 -1.000 1.00 0.00 N ATOM 718 CA ASN A 49 -16.125 -0.883 -1.967 1.00 0.00 C ATOM 719 C ASN A 49 -14.822 -1.225 -2.708 1.00 0.00 C ATOM 720 O ASN A 49 -14.762 -1.170 -3.936 1.00 0.00 O ATOM 721 CB ASN A 49 -17.187 -0.434 -2.959 1.00 0.00 C ATOM 722 CG ASN A 49 -17.766 -1.568 -3.793 1.00 0.00 C ATOM 723 OD1 ASN A 49 -18.735 -2.215 -3.392 1.00 0.00 O ATOM 724 ND2 ASN A 49 -17.191 -1.811 -4.958 1.00 0.00 N ATOM 0 H ASN A 49 -15.379 0.976 -1.362 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.463 -1.778 -1.445 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -17.996 0.054 -2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -16.756 0.312 -3.626 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.548 -2.555 -5.558 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.390 -1.255 -5.257 1.00 0.00 H new ATOM 731 N PRO A 50 -13.728 -1.518 -1.975 1.00 0.00 N ATOM 732 CA PRO A 50 -12.477 -1.933 -2.591 1.00 0.00 C ATOM 733 C PRO A 50 -12.616 -3.230 -3.364 1.00 0.00 C ATOM 734 O PRO A 50 -13.146 -4.226 -2.870 1.00 0.00 O ATOM 735 CB PRO A 50 -11.504 -2.108 -1.433 1.00 0.00 C ATOM 736 CG PRO A 50 -12.327 -2.102 -0.204 1.00 0.00 C ATOM 737 CD PRO A 50 -13.605 -1.398 -0.524 1.00 0.00 C ATOM 0 HA PRO A 50 -12.140 -1.194 -3.318 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.950 -3.042 -1.527 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.770 -1.302 -1.415 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.524 -3.120 0.131 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.803 -1.596 0.606 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.451 -1.858 -0.013 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.573 -0.354 -0.212 1.00 0.00 H new ATOM 745 N THR A 51 -12.132 -3.189 -4.580 1.00 0.00 N ATOM 746 CA THR A 51 -12.200 -4.308 -5.493 1.00 0.00 C ATOM 747 C THR A 51 -10.792 -4.689 -5.924 1.00 0.00 C ATOM 748 O THR A 51 -9.906 -3.833 -5.971 1.00 0.00 O ATOM 749 CB THR A 51 -13.058 -3.955 -6.731 1.00 0.00 C ATOM 750 OG1 THR A 51 -13.220 -5.101 -7.578 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.441 -2.809 -7.528 1.00 0.00 C ATOM 0 H THR A 51 -11.673 -2.367 -4.971 1.00 0.00 H new ATOM 0 HA THR A 51 -12.669 -5.151 -4.986 1.00 0.00 H new ATOM 0 HB THR A 51 -14.036 -3.636 -6.370 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.767 -4.859 -8.355 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.069 -2.586 -8.391 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.367 -1.924 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.446 -3.096 -7.868 1.00 0.00 H new ATOM 759 N CYS A 52 -10.567 -5.958 -6.232 1.00 0.00 N ATOM 760 CA CYS A 52 -9.282 -6.341 -6.769 1.00 0.00 C ATOM 761 C CYS A 52 -9.363 -6.090 -8.259 1.00 0.00 C ATOM 762 O CYS A 52 -10.256 -6.607 -8.932 1.00 0.00 O ATOM 763 CB CYS A 52 -8.996 -7.819 -6.489 1.00 0.00 C ATOM 764 SG CYS A 52 -7.232 -8.275 -6.588 1.00 0.00 S ATOM 0 H CYS A 52 -11.240 -6.717 -6.122 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.474 -5.771 -6.310 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.368 -8.067 -5.495 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.557 -8.426 -7.200 1.00 0.00 H new ATOM 769 N ASP A 53 -8.381 -5.362 -8.760 1.00 0.00 N ATOM 770 CA ASP A 53 -8.470 -4.672 -10.049 1.00 0.00 C ATOM 771 C ASP A 53 -7.617 -3.424 -9.963 1.00 0.00 C ATOM 772 O ASP A 53 -6.674 -3.229 -10.731 1.00 0.00 O ATOM 773 CB ASP A 53 -9.913 -4.236 -10.358 1.00 0.00 C ATOM 774 CG ASP A 53 -10.041 -3.440 -11.647 1.00 0.00 C ATOM 775 OD1 ASP A 53 -9.743 -2.228 -11.637 1.00 0.00 O ATOM 776 OD2 ASP A 53 -10.471 -4.017 -12.663 1.00 0.00 O ATOM 0 H ASP A 53 -7.489 -5.228 -8.285 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.136 -5.351 -10.834 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.546 -5.121 -10.422 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.288 -3.635 -9.530 1.00 0.00 H new ATOM 781 N ILE A 54 -7.947 -2.593 -8.977 1.00 0.00 N ATOM 782 CA ILE A 54 -7.270 -1.333 -8.780 1.00 0.00 C ATOM 783 C ILE A 54 -5.968 -1.569 -8.072 1.00 0.00 C ATOM 784 O ILE A 54 -5.923 -1.562 -6.843 1.00 0.00 O ATOM 785 CB ILE A 54 -8.085 -0.361 -7.926 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.517 -0.256 -8.463 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.382 0.993 -7.901 1.00 0.00 C ATOM 788 CD1 ILE A 54 -10.452 0.516 -7.555 1.00 0.00 C ATOM 0 H ILE A 54 -8.688 -2.781 -8.301 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.122 -0.897 -9.768 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.153 -0.728 -6.902 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.495 0.225 -9.441 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.915 -1.260 -8.611 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.958 1.691 -7.294 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.386 0.878 -7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.299 1.379 -8.917 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.447 0.549 -8.000 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.505 0.024 -6.584 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.078 1.532 -7.427 1.00 0.00 H new ATOM 800 N ASN A 55 -4.925 -1.809 -8.840 1.00 0.00 N ATOM 801 CA ASN A 55 -3.622 -2.066 -8.268 1.00 0.00 C ATOM 802 C ASN A 55 -3.727 -3.216 -7.279 1.00 0.00 C ATOM 803 O ASN A 55 -3.262 -3.122 -6.148 1.00 0.00 O ATOM 804 CB ASN A 55 -3.095 -0.812 -7.574 1.00 0.00 C ATOM 805 CG ASN A 55 -1.594 -0.874 -7.365 1.00 0.00 C ATOM 806 OD1 ASN A 55 -0.876 -1.498 -8.144 1.00 0.00 O ATOM 807 ND2 ASN A 55 -1.111 -0.238 -6.317 1.00 0.00 N ATOM 0 H ASN A 55 -4.955 -1.831 -9.859 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.924 -2.337 -9.060 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.343 0.066 -8.171 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.592 -0.693 -6.611 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.109 -0.252 -6.129 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.740 0.269 -5.694 1.00 0.00 H new ATOM 814 N ASN A 56 -4.423 -4.273 -7.697 1.00 0.00 N ATOM 815 CA ASN A 56 -4.558 -5.497 -6.897 1.00 0.00 C ATOM 816 C ASN A 56 -5.429 -5.220 -5.675 1.00 0.00 C ATOM 817 O ASN A 56 -5.374 -5.937 -4.693 1.00 0.00 O ATOM 818 CB ASN A 56 -3.184 -6.027 -6.434 1.00 0.00 C ATOM 819 CG ASN A 56 -2.081 -5.782 -7.424 1.00 0.00 C ATOM 820 OD1 ASN A 56 -0.979 -5.297 -6.915 1.00 0.00 O flip ATOM 821 ND2 ASN A 56 -2.229 -5.983 -8.627 1.00 0.00 N flip ATOM 0 H ASN A 56 -4.908 -4.309 -8.594 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.023 -6.256 -7.526 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.922 -5.555 -5.487 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.261 -7.098 -6.246 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.109 -6.363 -8.976 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.472 -5.770 -9.277 1.00 0.00 H new ATOM 828 N GLY A 57 -6.219 -4.157 -5.741 1.00 0.00 N ATOM 829 CA GLY A 57 -7.079 -3.801 -4.627 1.00 0.00 C ATOM 830 C GLY A 57 -6.438 -2.775 -3.713 1.00 0.00 C ATOM 831 O GLY A 57 -6.990 -2.427 -2.668 1.00 0.00 O ATOM 0 H GLY A 57 -6.281 -3.534 -6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.021 -3.407 -5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.318 -4.697 -4.054 1.00 0.00 H new ATOM 835 N GLY A 58 -5.279 -2.278 -4.117 1.00 0.00 N ATOM 836 CA GLY A 58 -4.538 -1.359 -3.280 1.00 0.00 C ATOM 837 C GLY A 58 -3.249 -1.977 -2.780 1.00 0.00 C ATOM 838 O GLY A 58 -2.590 -1.443 -1.895 1.00 0.00 O ATOM 0 H GLY A 58 -4.838 -2.495 -5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.314 -0.453 -3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.153 -1.062 -2.431 1.00 0.00 H new ATOM 842 N CYS A 59 -2.883 -3.085 -3.395 1.00 0.00 N ATOM 843 CA CYS A 59 -1.722 -3.868 -3.020 1.00 0.00 C ATOM 844 C CYS A 59 -0.623 -3.670 -4.035 1.00 0.00 C ATOM 845 O CYS A 59 -0.751 -2.910 -4.990 1.00 0.00 O ATOM 846 CB CYS A 59 -2.057 -5.362 -2.994 1.00 0.00 C ATOM 847 SG CYS A 59 -3.697 -5.783 -2.332 1.00 0.00 S ATOM 0 H CYS A 59 -3.396 -3.474 -4.186 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.407 -3.539 -2.030 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.983 -5.751 -4.009 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.301 -5.876 -2.400 1.00 0.00 H new ATOM 852 N ASP A 60 0.462 -4.357 -3.810 1.00 0.00 N ATOM 853 CA ASP A 60 1.539 -4.404 -4.762 1.00 0.00 C ATOM 854 C ASP A 60 1.414 -5.719 -5.471 1.00 0.00 C ATOM 855 O ASP A 60 0.926 -6.671 -4.893 1.00 0.00 O ATOM 856 CB ASP A 60 2.864 -4.348 -4.029 1.00 0.00 C ATOM 857 CG ASP A 60 4.020 -3.982 -4.939 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.167 -2.791 -5.264 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.775 -4.891 -5.342 1.00 0.00 O ATOM 0 H ASP A 60 0.626 -4.900 -2.962 1.00 0.00 H new ATOM 0 HA ASP A 60 1.495 -3.567 -5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.797 -3.619 -3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.061 -5.316 -3.569 1.00 0.00 H new ATOM 864 N PRO A 61 1.739 -5.767 -6.764 1.00 0.00 N ATOM 865 CA PRO A 61 1.585 -6.984 -7.551 1.00 0.00 C ATOM 866 C PRO A 61 2.378 -8.142 -6.953 1.00 0.00 C ATOM 867 O PRO A 61 2.162 -9.303 -7.291 1.00 0.00 O ATOM 868 CB PRO A 61 2.128 -6.604 -8.929 1.00 0.00 C ATOM 869 CG PRO A 61 2.108 -5.118 -8.978 1.00 0.00 C ATOM 870 CD PRO A 61 2.223 -4.634 -7.563 1.00 0.00 C ATOM 0 HA PRO A 61 0.551 -7.326 -7.583 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.139 -6.986 -9.070 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.513 -7.029 -9.722 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.932 -4.740 -9.583 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.186 -4.759 -9.435 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.252 -4.377 -7.311 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.621 -3.741 -7.396 1.00 0.00 H new ATOM 878 N THR A 62 3.292 -7.806 -6.058 1.00 0.00 N ATOM 879 CA THR A 62 4.067 -8.790 -5.335 1.00 0.00 C ATOM 880 C THR A 62 3.325 -9.215 -4.071 1.00 0.00 C ATOM 881 O THR A 62 3.646 -10.218 -3.445 1.00 0.00 O ATOM 882 CB THR A 62 5.443 -8.210 -4.978 1.00 0.00 C ATOM 883 OG1 THR A 62 5.301 -7.132 -4.040 1.00 0.00 O ATOM 884 CG2 THR A 62 6.113 -7.689 -6.237 1.00 0.00 C ATOM 0 H THR A 62 3.515 -6.841 -5.815 1.00 0.00 H new ATOM 0 HA THR A 62 4.209 -9.667 -5.966 1.00 0.00 H new ATOM 0 HB THR A 62 6.051 -8.996 -4.530 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.379 -6.276 -4.511 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.090 -7.277 -5.985 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.236 -8.506 -6.948 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.494 -6.910 -6.683 1.00 0.00 H new ATOM 892 N ALA A 63 2.326 -8.424 -3.712 1.00 0.00 N ATOM 893 CA ALA A 63 1.409 -8.750 -2.639 1.00 0.00 C ATOM 894 C ALA A 63 0.207 -9.493 -3.214 1.00 0.00 C ATOM 895 O ALA A 63 -0.499 -8.974 -4.078 1.00 0.00 O ATOM 896 CB ALA A 63 0.968 -7.477 -1.917 1.00 0.00 C ATOM 0 H ALA A 63 2.130 -7.531 -4.163 1.00 0.00 H new ATOM 0 HA ALA A 63 1.908 -9.392 -1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.279 -7.735 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.841 -6.974 -1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.469 -6.813 -2.623 1.00 0.00 H new ATOM 902 N SER A 64 -0.005 -10.714 -2.750 1.00 0.00 N ATOM 903 CA SER A 64 -1.089 -11.552 -3.241 1.00 0.00 C ATOM 904 C SER A 64 -2.434 -10.958 -2.848 1.00 0.00 C ATOM 905 O SER A 64 -2.783 -10.945 -1.670 1.00 0.00 O ATOM 906 CB SER A 64 -0.950 -12.968 -2.666 1.00 0.00 C ATOM 907 OG SER A 64 -1.866 -13.869 -3.261 1.00 0.00 O ATOM 0 H SER A 64 0.566 -11.151 -2.026 1.00 0.00 H new ATOM 0 HA SER A 64 -1.035 -11.601 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.067 -13.326 -2.824 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.114 -12.941 -1.589 1.00 0.00 H new ATOM 0 HG SER A 64 -1.748 -14.761 -2.872 1.00 0.00 H new ATOM 913 N CYS A 65 -3.171 -10.447 -3.829 1.00 0.00 N ATOM 914 CA CYS A 65 -4.475 -9.859 -3.567 1.00 0.00 C ATOM 915 C CYS A 65 -5.537 -10.916 -3.390 1.00 0.00 C ATOM 916 O CYS A 65 -5.602 -11.906 -4.125 1.00 0.00 O ATOM 917 CB CYS A 65 -4.915 -8.914 -4.688 1.00 0.00 C ATOM 918 SG CYS A 65 -6.700 -8.514 -4.643 1.00 0.00 S ATOM 0 H CYS A 65 -2.887 -10.429 -4.808 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.365 -9.292 -2.643 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.341 -7.990 -4.620 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.676 -9.367 -5.650 1.00 0.00 H new ATOM 923 N GLN A 66 -6.361 -10.685 -2.400 1.00 0.00 N ATOM 924 CA GLN A 66 -7.540 -11.485 -2.161 1.00 0.00 C ATOM 925 C GLN A 66 -8.719 -10.541 -2.045 1.00 0.00 C ATOM 926 O GLN A 66 -8.729 -9.680 -1.167 1.00 0.00 O ATOM 927 CB GLN A 66 -7.403 -12.272 -0.863 1.00 0.00 C ATOM 928 CG GLN A 66 -5.966 -12.520 -0.476 1.00 0.00 C ATOM 929 CD GLN A 66 -5.367 -13.739 -1.138 1.00 0.00 C ATOM 930 OE1 GLN A 66 -6.059 -14.712 -1.434 1.00 0.00 O ATOM 931 NE2 GLN A 66 -4.074 -13.683 -1.380 1.00 0.00 N ATOM 0 H GLN A 66 -6.233 -9.928 -1.728 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.677 -12.193 -2.978 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.902 -11.729 -0.060 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.916 -13.228 -0.968 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.371 -11.645 -0.737 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.904 -12.636 0.606 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.541 -12.854 -1.116 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.605 -14.468 -1.831 1.00 0.00 H new ATOM 940 N ASN A 67 -9.685 -10.655 -2.930 1.00 0.00 N ATOM 941 CA ASN A 67 -10.861 -9.813 -2.825 1.00 0.00 C ATOM 942 C ASN A 67 -11.883 -10.437 -1.916 1.00 0.00 C ATOM 943 O ASN A 67 -12.271 -11.596 -2.066 1.00 0.00 O ATOM 944 CB ASN A 67 -11.487 -9.463 -4.173 1.00 0.00 C ATOM 945 CG ASN A 67 -11.607 -10.626 -5.137 1.00 0.00 C ATOM 946 OD1 ASN A 67 -10.807 -11.560 -5.130 1.00 0.00 O ATOM 947 ND2 ASN A 67 -12.609 -10.561 -5.990 1.00 0.00 N ATOM 0 H ASN A 67 -9.684 -11.307 -3.715 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.519 -8.872 -2.395 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.480 -9.048 -4.000 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.892 -8.680 -4.642 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.743 -11.303 -6.677 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.251 -9.769 -5.963 1.00 0.00 H new ATOM 954 N ALA A 68 -12.311 -9.630 -0.983 1.00 0.00 N ATOM 955 CA ALA A 68 -13.158 -10.065 0.101 1.00 0.00 C ATOM 956 C ALA A 68 -14.138 -8.967 0.471 1.00 0.00 C ATOM 957 O ALA A 68 -14.044 -7.846 -0.029 1.00 0.00 O ATOM 958 CB ALA A 68 -12.298 -10.431 1.298 1.00 0.00 C ATOM 0 H ALA A 68 -12.079 -8.637 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.725 -10.941 -0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.937 -10.760 2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.616 -11.236 1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.723 -9.560 1.613 1.00 0.00 H new ATOM 964 N GLU A 69 -15.083 -9.299 1.323 1.00 0.00 N ATOM 965 CA GLU A 69 -16.028 -8.328 1.831 1.00 0.00 C ATOM 966 C GLU A 69 -16.113 -8.443 3.341 1.00 0.00 C ATOM 967 O GLU A 69 -16.469 -9.492 3.877 1.00 0.00 O ATOM 968 CB GLU A 69 -17.405 -8.539 1.209 1.00 0.00 C ATOM 969 CG GLU A 69 -17.420 -8.411 -0.305 1.00 0.00 C ATOM 970 CD GLU A 69 -18.754 -8.802 -0.895 1.00 0.00 C ATOM 971 OE1 GLU A 69 -18.973 -10.013 -1.104 1.00 0.00 O ATOM 972 OE2 GLU A 69 -19.593 -7.906 -1.134 1.00 0.00 O ATOM 0 H GLU A 69 -15.218 -10.244 1.682 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.683 -7.329 1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.770 -9.528 1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -18.100 -7.814 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.188 -7.383 -0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -16.638 -9.041 -0.729 1.00 0.00 H new ATOM 979 N SER A 70 -15.782 -7.366 4.020 1.00 0.00 N ATOM 980 CA SER A 70 -15.744 -7.359 5.468 1.00 0.00 C ATOM 981 C SER A 70 -16.184 -5.997 5.979 1.00 0.00 C ATOM 982 O SER A 70 -16.237 -5.038 5.205 1.00 0.00 O ATOM 983 CB SER A 70 -14.320 -7.686 5.944 1.00 0.00 C ATOM 984 OG SER A 70 -14.280 -7.991 7.330 1.00 0.00 O ATOM 0 H SER A 70 -15.533 -6.476 3.588 1.00 0.00 H new ATOM 0 HA SER A 70 -16.424 -8.114 5.862 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.933 -8.531 5.375 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.666 -6.838 5.740 1.00 0.00 H new ATOM 0 HG SER A 70 -13.358 -8.195 7.594 1.00 0.00 H new ATOM 990 N THR A 71 -16.514 -5.915 7.261 1.00 0.00 N ATOM 991 CA THR A 71 -16.846 -4.643 7.888 1.00 0.00 C ATOM 992 C THR A 71 -15.678 -3.667 7.746 1.00 0.00 C ATOM 993 O THR A 71 -15.865 -2.454 7.638 1.00 0.00 O ATOM 994 CB THR A 71 -17.202 -4.827 9.385 1.00 0.00 C ATOM 995 OG1 THR A 71 -17.366 -3.552 10.019 1.00 0.00 O ATOM 996 CG2 THR A 71 -16.129 -5.625 10.115 1.00 0.00 C ATOM 0 H THR A 71 -16.559 -6.718 7.889 1.00 0.00 H new ATOM 0 HA THR A 71 -17.721 -4.237 7.380 1.00 0.00 H new ATOM 0 HB THR A 71 -18.139 -5.381 9.436 1.00 0.00 H new ATOM 0 HG1 THR A 71 -17.592 -3.683 10.964 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.408 -5.737 11.163 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.034 -6.610 9.658 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.176 -5.100 10.047 1.00 0.00 H new ATOM 1004 N GLU A 72 -14.474 -4.220 7.720 1.00 0.00 N ATOM 1005 CA GLU A 72 -13.266 -3.439 7.544 1.00 0.00 C ATOM 1006 C GLU A 72 -12.967 -3.274 6.065 1.00 0.00 C ATOM 1007 O GLU A 72 -12.840 -4.263 5.349 1.00 0.00 O ATOM 1008 CB GLU A 72 -12.093 -4.152 8.196 1.00 0.00 C ATOM 1009 CG GLU A 72 -12.290 -4.431 9.667 1.00 0.00 C ATOM 1010 CD GLU A 72 -11.992 -3.228 10.524 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -10.816 -3.036 10.890 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -12.932 -2.480 10.849 1.00 0.00 O ATOM 0 H GLU A 72 -14.311 -5.222 7.821 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.413 -2.462 8.004 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.919 -5.095 7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.195 -3.547 8.068 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.318 -4.751 9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.645 -5.257 9.967 1.00 0.00 H new ATOM 1019 N ASN A 73 -12.854 -2.032 5.609 1.00 0.00 N ATOM 1020 CA ASN A 73 -12.430 -1.760 4.234 1.00 0.00 C ATOM 1021 C ASN A 73 -11.053 -2.346 3.979 1.00 0.00 C ATOM 1022 O ASN A 73 -10.753 -2.797 2.877 1.00 0.00 O ATOM 1023 CB ASN A 73 -12.410 -0.253 3.927 1.00 0.00 C ATOM 1024 CG ASN A 73 -11.971 0.602 5.104 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -11.178 0.179 5.945 1.00 0.00 O ATOM 1026 ND2 ASN A 73 -12.492 1.817 5.171 1.00 0.00 N ATOM 0 H ASN A 73 -13.048 -1.199 6.165 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.158 -2.231 3.574 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.740 -0.071 3.087 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.406 0.059 3.614 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.239 2.439 5.939 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.146 2.132 4.454 1.00 0.00 H new ATOM 1033 N SER A 74 -10.232 -2.358 5.014 1.00 0.00 N ATOM 1034 CA SER A 74 -8.881 -2.868 4.901 1.00 0.00 C ATOM 1035 C SER A 74 -8.883 -4.399 4.908 1.00 0.00 C ATOM 1036 O SER A 74 -7.922 -5.034 4.488 1.00 0.00 O ATOM 1037 CB SER A 74 -8.018 -2.315 6.041 1.00 0.00 C ATOM 1038 OG SER A 74 -6.649 -2.647 5.871 1.00 0.00 O ATOM 0 H SER A 74 -10.480 -2.019 5.944 1.00 0.00 H new ATOM 0 HA SER A 74 -8.455 -2.539 3.953 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.127 -1.231 6.087 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.373 -2.712 6.992 1.00 0.00 H new ATOM 0 HG SER A 74 -6.128 -2.278 6.614 1.00 0.00 H new ATOM 1044 N LYS A 75 -9.981 -4.984 5.369 1.00 0.00 N ATOM 1045 CA LYS A 75 -10.114 -6.435 5.405 1.00 0.00 C ATOM 1046 C LYS A 75 -10.830 -6.940 4.162 1.00 0.00 C ATOM 1047 O LYS A 75 -11.081 -8.139 4.023 1.00 0.00 O ATOM 1048 CB LYS A 75 -10.866 -6.878 6.656 1.00 0.00 C ATOM 1049 CG LYS A 75 -10.027 -6.792 7.907 1.00 0.00 C ATOM 1050 CD LYS A 75 -9.010 -7.912 7.927 1.00 0.00 C ATOM 1051 CE LYS A 75 -9.666 -9.234 8.292 1.00 0.00 C ATOM 1052 NZ LYS A 75 -8.818 -10.400 7.926 1.00 0.00 N ATOM 0 H LYS A 75 -10.792 -4.477 5.723 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.112 -6.863 5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.755 -6.259 6.778 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.208 -7.905 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.519 -5.828 7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.666 -6.854 8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.535 -7.995 6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.223 -7.681 8.645 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.867 -9.255 9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.628 -9.313 7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.304 -11.280 8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.647 -10.396 6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.910 -10.340 8.429 1.00 0.00 H new ATOM 1066 N LYS A 76 -11.166 -6.023 3.267 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.823 -6.392 2.027 1.00 0.00 C ATOM 1068 C LYS A 76 -10.795 -6.753 0.984 1.00 0.00 C ATOM 1069 O LYS A 76 -11.008 -7.625 0.150 1.00 0.00 O ATOM 1070 CB LYS A 76 -12.683 -5.267 1.510 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.702 -4.816 2.518 1.00 0.00 C ATOM 1072 CD LYS A 76 -14.653 -3.804 1.933 1.00 0.00 C ATOM 1073 CE LYS A 76 -15.253 -2.947 3.019 1.00 0.00 C ATOM 1074 NZ LYS A 76 -16.624 -2.482 2.688 1.00 0.00 N ATOM 0 H LYS A 76 -10.995 -5.024 3.377 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.460 -7.253 2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.048 -4.424 1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.192 -5.590 0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.264 -5.678 2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.195 -4.383 3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.126 -3.175 1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.446 -4.315 1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.280 -3.513 3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.612 -2.082 3.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.029 -1.984 3.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.584 -1.836 1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.220 -3.300 2.451 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.683 -6.052 1.020 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.580 -6.379 0.152 1.00 0.00 C ATOM 1090 C ILE A 77 -7.442 -6.903 0.979 1.00 0.00 C ATOM 1091 O ILE A 77 -6.873 -6.196 1.811 1.00 0.00 O ATOM 1092 CB ILE A 77 -8.106 -5.173 -0.668 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.262 -4.611 -1.486 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -6.957 -5.569 -1.579 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -9.891 -5.626 -2.412 1.00 0.00 C ATOM 0 H ILE A 77 -9.522 -5.257 1.638 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.924 -7.136 -0.553 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.752 -4.402 0.016 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.024 -4.227 -0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.904 -3.766 -2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.633 -4.701 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.126 -5.937 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.287 -6.353 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.707 -5.159 -2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.141 -5.992 -3.114 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.279 -6.460 -1.828 1.00 0.00 H new ATOM 1107 N ILE A 78 -7.125 -8.147 0.751 1.00 0.00 N ATOM 1108 CA ILE A 78 -6.081 -8.798 1.492 1.00 0.00 C ATOM 1109 C ILE A 78 -4.804 -8.810 0.677 1.00 0.00 C ATOM 1110 O ILE A 78 -4.679 -9.549 -0.295 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.468 -10.236 1.887 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.754 -10.251 2.724 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -5.333 -10.886 2.654 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -9.028 -10.070 1.914 1.00 0.00 C ATOM 0 H ILE A 78 -7.579 -8.735 0.052 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.925 -8.235 2.412 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.653 -10.804 0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.812 -11.196 3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.697 -9.460 3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.615 -11.902 2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.440 -10.914 2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.126 -10.310 3.556 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.890 -10.093 2.581 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.996 -9.112 1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.113 -10.875 1.184 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.881 -7.956 1.062 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.601 -7.853 0.391 1.00 0.00 C ATOM 1128 C CYS A 79 -1.551 -8.618 1.177 1.00 0.00 C ATOM 1129 O CYS A 79 -1.215 -8.257 2.303 1.00 0.00 O ATOM 1130 CB CYS A 79 -2.220 -6.383 0.259 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.583 -5.351 -0.359 1.00 0.00 S ATOM 0 H CYS A 79 -3.995 -7.314 1.847 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.666 -8.287 -0.607 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.899 -6.008 1.231 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.368 -6.293 -0.415 1.00 0.00 H new ATOM 1136 N THR A 80 -1.060 -9.695 0.592 1.00 0.00 N ATOM 1137 CA THR A 80 -0.120 -10.573 1.268 1.00 0.00 C ATOM 1138 C THR A 80 1.225 -10.623 0.550 1.00 0.00 C ATOM 1139 O THR A 80 1.335 -11.158 -0.553 1.00 0.00 O ATOM 1140 CB THR A 80 -0.699 -11.996 1.371 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.913 -11.971 2.131 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.297 -12.949 2.015 1.00 0.00 C ATOM 0 H THR A 80 -1.298 -9.985 -0.356 1.00 0.00 H new ATOM 0 HA THR A 80 0.042 -10.168 2.267 1.00 0.00 H new ATOM 0 HB THR A 80 -0.907 -12.354 0.363 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.279 -12.878 2.193 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.140 -13.946 2.074 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.206 -12.986 1.414 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.539 -12.599 3.018 1.00 0.00 H new ATOM 1150 N CYS A 81 2.252 -10.086 1.184 1.00 0.00 N ATOM 1151 CA CYS A 81 3.583 -10.112 0.612 1.00 0.00 C ATOM 1152 C CYS A 81 4.229 -11.472 0.934 1.00 0.00 C ATOM 1153 O CYS A 81 4.065 -11.996 2.038 1.00 0.00 O ATOM 1154 CB CYS A 81 4.422 -8.949 1.169 1.00 0.00 C ATOM 1155 SG CYS A 81 3.527 -7.360 1.325 1.00 0.00 S ATOM 0 H CYS A 81 2.189 -9.628 2.093 1.00 0.00 H new ATOM 0 HA CYS A 81 3.531 -9.989 -0.470 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.804 -9.232 2.150 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.286 -8.801 0.522 1.00 0.00 H new ATOM 1160 N LYS A 82 4.939 -12.048 -0.035 1.00 0.00 N ATOM 1161 CA LYS A 82 5.429 -13.430 0.066 1.00 0.00 C ATOM 1162 C LYS A 82 6.741 -13.561 0.843 1.00 0.00 C ATOM 1163 O LYS A 82 7.250 -12.599 1.409 1.00 0.00 O ATOM 1164 CB LYS A 82 5.614 -14.060 -1.318 1.00 0.00 C ATOM 1165 CG LYS A 82 4.323 -14.299 -2.082 1.00 0.00 C ATOM 1166 CD LYS A 82 3.836 -13.040 -2.764 1.00 0.00 C ATOM 1167 CE LYS A 82 2.550 -13.278 -3.535 1.00 0.00 C ATOM 1168 NZ LYS A 82 2.696 -14.361 -4.543 1.00 0.00 N ATOM 0 H LYS A 82 5.191 -11.579 -0.905 1.00 0.00 H new ATOM 0 HA LYS A 82 4.657 -13.961 0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.259 -13.414 -1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.134 -15.011 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.480 -15.079 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.557 -14.662 -1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.674 -12.262 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.605 -12.674 -3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.752 -13.536 -2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.251 -12.356 -4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.882 -14.345 -5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.572 -14.215 -5.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.737 -15.281 -4.060 1.00 0.00 H new ATOM 1182 N GLU A 83 7.267 -14.779 0.864 1.00 0.00 N ATOM 1183 CA GLU A 83 8.514 -15.105 1.565 1.00 0.00 C ATOM 1184 C GLU A 83 9.702 -14.178 1.227 1.00 0.00 C ATOM 1185 O GLU A 83 10.411 -13.762 2.145 1.00 0.00 O ATOM 1186 CB GLU A 83 8.898 -16.550 1.284 1.00 0.00 C ATOM 1187 CG GLU A 83 7.804 -17.533 1.635 1.00 0.00 C ATOM 1188 CD GLU A 83 8.183 -18.960 1.320 1.00 0.00 C ATOM 1189 OE1 GLU A 83 8.467 -19.252 0.140 1.00 0.00 O ATOM 1190 OE2 GLU A 83 8.180 -19.795 2.243 1.00 0.00 O ATOM 0 H GLU A 83 6.842 -15.578 0.393 1.00 0.00 H new ATOM 0 HA GLU A 83 8.308 -14.952 2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.147 -16.655 0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.796 -16.798 1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.572 -17.449 2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.898 -17.273 1.089 1.00 0.00 H new ATOM 1197 N PRO A 84 9.955 -13.812 -0.060 1.00 0.00 N ATOM 1198 CA PRO A 84 11.119 -12.999 -0.406 1.00 0.00 C ATOM 1199 C PRO A 84 10.869 -11.547 -0.073 1.00 0.00 C ATOM 1200 O PRO A 84 11.681 -10.662 -0.353 1.00 0.00 O ATOM 1201 CB PRO A 84 11.261 -13.181 -1.909 1.00 0.00 C ATOM 1202 CG PRO A 84 9.881 -13.450 -2.394 1.00 0.00 C ATOM 1203 CD PRO A 84 9.125 -14.081 -1.251 1.00 0.00 C ATOM 0 HA PRO A 84 12.014 -13.293 0.142 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.678 -12.289 -2.377 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.931 -14.008 -2.145 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.398 -12.526 -2.712 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.899 -14.115 -3.258 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.130 -13.648 -1.147 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.992 -15.151 -1.407 1.00 0.00 H new ATOM 1211 N THR A 85 9.708 -11.320 0.509 1.00 0.00 N ATOM 1212 CA THR A 85 9.308 -10.018 0.942 1.00 0.00 C ATOM 1213 C THR A 85 8.970 -10.082 2.437 1.00 0.00 C ATOM 1214 O THR A 85 7.807 -10.056 2.831 1.00 0.00 O ATOM 1215 CB THR A 85 8.103 -9.520 0.104 1.00 0.00 C ATOM 1216 OG1 THR A 85 6.910 -10.187 0.483 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.322 -9.790 -1.372 1.00 0.00 C ATOM 0 H THR A 85 9.017 -12.048 0.691 1.00 0.00 H new ATOM 0 HA THR A 85 10.119 -9.305 0.794 1.00 0.00 H new ATOM 0 HB THR A 85 8.014 -8.449 0.287 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.119 -10.880 1.143 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.463 -9.432 -1.939 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.220 -9.271 -1.707 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.441 -10.862 -1.532 1.00 0.00 H new ATOM 1225 N PRO A 86 10.000 -10.179 3.300 1.00 0.00 N ATOM 1226 CA PRO A 86 9.824 -10.391 4.745 1.00 0.00 C ATOM 1227 C PRO A 86 9.245 -9.167 5.428 1.00 0.00 C ATOM 1228 O PRO A 86 9.060 -9.132 6.642 1.00 0.00 O ATOM 1229 CB PRO A 86 11.255 -10.635 5.246 1.00 0.00 C ATOM 1230 CG PRO A 86 12.067 -10.884 4.029 1.00 0.00 C ATOM 1231 CD PRO A 86 11.421 -10.077 2.953 1.00 0.00 C ATOM 0 HA PRO A 86 9.134 -11.208 4.957 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.630 -9.773 5.797 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.293 -11.488 5.924 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.103 -10.582 4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.078 -11.944 3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.768 -9.044 2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.628 -10.480 1.962 1.00 0.00 H new ATOM 1239 N ASN A 87 8.963 -8.164 4.620 1.00 0.00 N ATOM 1240 CA ASN A 87 8.529 -6.876 5.093 1.00 0.00 C ATOM 1241 C ASN A 87 7.486 -6.338 4.133 1.00 0.00 C ATOM 1242 O ASN A 87 7.254 -6.923 3.075 1.00 0.00 O ATOM 1243 CB ASN A 87 9.718 -5.921 5.149 1.00 0.00 C ATOM 1244 CG ASN A 87 10.925 -6.510 5.854 1.00 0.00 C ATOM 1245 OD1 ASN A 87 11.042 -6.460 7.077 1.00 0.00 O ATOM 1246 ND2 ASN A 87 11.845 -7.050 5.068 1.00 0.00 N ATOM 0 H ASN A 87 9.032 -8.227 3.604 1.00 0.00 H new ATOM 0 HA ASN A 87 8.105 -6.969 6.093 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.999 -5.641 4.134 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.417 -5.006 5.660 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.693 -7.446 5.473 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.705 -7.069 4.058 1.00 0.00 H new ATOM 1253 N ALA A 88 6.877 -5.224 4.475 1.00 0.00 N ATOM 1254 CA ALA A 88 5.900 -4.617 3.597 1.00 0.00 C ATOM 1255 C ALA A 88 6.030 -3.107 3.615 1.00 0.00 C ATOM 1256 O ALA A 88 6.369 -2.518 4.642 1.00 0.00 O ATOM 1257 CB ALA A 88 4.497 -5.031 4.007 1.00 0.00 C ATOM 0 H ALA A 88 7.039 -4.723 5.348 1.00 0.00 H new ATOM 0 HA ALA A 88 6.086 -4.965 2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.771 -4.568 3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.405 -6.115 3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.306 -4.707 5.030 1.00 0.00 H new ATOM 1263 N TYR A 89 5.782 -2.486 2.475 1.00 0.00 N ATOM 1264 CA TYR A 89 5.689 -1.044 2.410 1.00 0.00 C ATOM 1265 C TYR A 89 4.314 -0.681 2.985 1.00 0.00 C ATOM 1266 O TYR A 89 3.285 -0.868 2.324 1.00 0.00 O ATOM 1267 CB TYR A 89 5.829 -0.539 0.953 1.00 0.00 C ATOM 1268 CG TYR A 89 6.970 -1.106 0.131 1.00 0.00 C ATOM 1269 CD1 TYR A 89 8.085 -1.713 0.686 1.00 0.00 C ATOM 1270 CD2 TYR A 89 6.918 -0.990 -1.245 1.00 0.00 C ATOM 1271 CE1 TYR A 89 9.106 -2.172 -0.123 1.00 0.00 C ATOM 1272 CE2 TYR A 89 7.915 -1.453 -2.056 1.00 0.00 C ATOM 1273 CZ TYR A 89 9.009 -2.037 -1.497 1.00 0.00 C ATOM 1274 OH TYR A 89 10.025 -2.459 -2.312 1.00 0.00 O ATOM 0 H TYR A 89 5.642 -2.961 1.583 1.00 0.00 H new ATOM 0 HA TYR A 89 6.493 -0.573 2.975 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.897 -0.753 0.430 1.00 0.00 H new ATOM 0 HB3 TYR A 89 5.938 0.545 0.980 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.156 -1.828 1.758 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.058 -0.516 -1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.978 -2.635 0.315 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.836 -1.356 -3.129 1.00 0.00 H new ATOM 0 HH TYR A 89 9.787 -2.287 -3.247 1.00 0.00 H new ATOM 1284 N TYR A 90 4.311 -0.203 4.228 1.00 0.00 N ATOM 1285 CA TYR A 90 3.087 0.001 5.012 1.00 0.00 C ATOM 1286 C TYR A 90 2.429 -1.342 5.346 1.00 0.00 C ATOM 1287 O TYR A 90 3.062 -2.211 5.944 1.00 0.00 O ATOM 1288 CB TYR A 90 2.097 0.954 4.327 1.00 0.00 C ATOM 1289 CG TYR A 90 1.477 1.949 5.292 1.00 0.00 C ATOM 1290 CD1 TYR A 90 0.830 1.517 6.445 1.00 0.00 C ATOM 1291 CD2 TYR A 90 1.553 3.315 5.064 1.00 0.00 C ATOM 1292 CE1 TYR A 90 0.272 2.416 7.332 1.00 0.00 C ATOM 1293 CE2 TYR A 90 0.999 4.219 5.946 1.00 0.00 C ATOM 1294 CZ TYR A 90 0.360 3.767 7.079 1.00 0.00 C ATOM 1295 OH TYR A 90 -0.196 4.670 7.957 1.00 0.00 O ATOM 0 H TYR A 90 5.162 0.057 4.726 1.00 0.00 H new ATOM 0 HA TYR A 90 3.381 0.484 5.944 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.611 1.496 3.533 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.306 0.371 3.855 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.763 0.459 6.650 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.055 3.677 4.179 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.231 2.062 8.220 1.00 0.00 H new ATOM 0 HE2 TYR A 90 1.066 5.279 5.749 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.043 5.581 7.630 1.00 0.00 H new ATOM 1305 N GLU A 91 1.172 -1.512 4.959 1.00 0.00 N ATOM 1306 CA GLU A 91 0.395 -2.683 5.379 1.00 0.00 C ATOM 1307 C GLU A 91 0.529 -3.849 4.398 1.00 0.00 C ATOM 1308 O GLU A 91 0.123 -4.973 4.695 1.00 0.00 O ATOM 1309 CB GLU A 91 -1.089 -2.322 5.494 1.00 0.00 C ATOM 1310 CG GLU A 91 -1.358 -0.863 5.812 1.00 0.00 C ATOM 1311 CD GLU A 91 -2.821 -0.601 6.116 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -3.601 -0.385 5.161 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -3.195 -0.615 7.311 1.00 0.00 O ATOM 0 H GLU A 91 0.666 -0.861 4.358 1.00 0.00 H new ATOM 0 HA GLU A 91 0.794 -2.991 6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.585 -2.574 4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.541 -2.939 6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.752 -0.562 6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.048 -0.246 4.968 1.00 0.00 H new ATOM 1320 N GLY A 92 1.108 -3.583 3.242 1.00 0.00 N ATOM 1321 CA GLY A 92 1.054 -4.536 2.149 1.00 0.00 C ATOM 1322 C GLY A 92 0.598 -3.846 0.893 1.00 0.00 C ATOM 1323 O GLY A 92 0.420 -4.468 -0.157 1.00 0.00 O ATOM 0 H GLY A 92 1.617 -2.723 3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.037 -4.981 1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.371 -5.349 2.397 1.00 0.00 H new ATOM 1327 N VAL A 93 0.389 -2.540 1.030 1.00 0.00 N ATOM 1328 CA VAL A 93 0.038 -1.679 -0.077 1.00 0.00 C ATOM 1329 C VAL A 93 1.104 -1.784 -1.157 1.00 0.00 C ATOM 1330 O VAL A 93 0.833 -1.640 -2.347 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.085 -0.214 0.408 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.637 0.679 -0.678 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -0.941 -0.123 1.667 1.00 0.00 C ATOM 0 H VAL A 93 0.461 -2.053 1.923 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.922 -1.992 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 93 0.918 0.136 0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.711 1.701 -0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.027 0.655 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.626 0.327 -0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.010 0.917 1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.940 -0.505 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.485 -0.716 2.460 1.00 0.00 H new ATOM 1343 N PHE A 94 2.327 -2.010 -0.707 1.00 0.00 N ATOM 1344 CA PHE A 94 3.428 -2.347 -1.576 1.00 0.00 C ATOM 1345 C PHE A 94 4.425 -3.239 -0.823 1.00 0.00 C ATOM 1346 O PHE A 94 4.420 -3.257 0.401 1.00 0.00 O ATOM 1347 CB PHE A 94 4.136 -1.110 -2.200 1.00 0.00 C ATOM 1348 CG PHE A 94 3.952 0.294 -1.602 1.00 0.00 C ATOM 1349 CD1 PHE A 94 3.084 0.594 -0.557 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.690 1.340 -2.146 1.00 0.00 C ATOM 1351 CE1 PHE A 94 2.957 1.888 -0.080 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.567 2.630 -1.672 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.702 2.906 -0.639 1.00 0.00 C ATOM 0 H PHE A 94 2.579 -1.963 0.280 1.00 0.00 H new ATOM 0 HA PHE A 94 3.011 -2.894 -2.422 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.206 -1.320 -2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.824 -1.056 -3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.499 -0.196 -0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.374 1.138 -2.957 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.275 2.100 0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.151 3.424 -2.113 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.606 3.915 -0.267 1.00 0.00 H new ATOM 1363 N CYS A 95 5.245 -4.013 -1.544 1.00 0.00 N ATOM 1364 CA CYS A 95 6.243 -4.893 -0.908 1.00 0.00 C ATOM 1365 C CYS A 95 7.482 -5.021 -1.809 1.00 0.00 C ATOM 1366 O CYS A 95 7.410 -4.734 -3.002 1.00 0.00 O ATOM 1367 CB CYS A 95 5.668 -6.299 -0.625 1.00 0.00 C ATOM 1368 SG CYS A 95 3.850 -6.376 -0.432 1.00 0.00 S ATOM 0 H CYS A 95 5.241 -4.051 -2.563 1.00 0.00 H new ATOM 0 HA CYS A 95 6.520 -4.440 0.044 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.959 -6.963 -1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.130 -6.686 0.283 1.00 0.00 H new ATOM 1373 N SER A 96 8.617 -5.438 -1.237 1.00 0.00 N ATOM 1374 CA SER A 96 9.863 -5.570 -2.006 1.00 0.00 C ATOM 1375 C SER A 96 10.262 -7.029 -2.121 1.00 0.00 C ATOM 1376 O SER A 96 10.419 -7.711 -1.112 1.00 0.00 O ATOM 1377 CB SER A 96 11.010 -4.808 -1.339 1.00 0.00 C ATOM 1378 OG SER A 96 12.063 -4.553 -2.257 1.00 0.00 O ATOM 0 H SER A 96 8.700 -5.689 -0.252 1.00 0.00 H new ATOM 0 HA SER A 96 9.678 -5.151 -2.995 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.638 -3.865 -0.938 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.391 -5.385 -0.496 1.00 0.00 H new ATOM 0 HG SER A 96 11.904 -3.698 -2.708 1.00 0.00 H new ATOM 1384 N SER A 97 10.465 -7.489 -3.344 1.00 0.00 N ATOM 1385 CA SER A 97 10.748 -8.894 -3.582 1.00 0.00 C ATOM 1386 C SER A 97 12.203 -9.106 -3.973 1.00 0.00 C ATOM 1387 O SER A 97 12.536 -9.208 -5.153 1.00 0.00 O ATOM 1388 CB SER A 97 9.848 -9.426 -4.682 1.00 0.00 C ATOM 1389 OG SER A 97 8.494 -9.062 -4.456 1.00 0.00 O ATOM 0 H SER A 97 10.439 -6.912 -4.185 1.00 0.00 H new ATOM 0 HA SER A 97 10.557 -9.435 -2.655 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.177 -9.036 -5.645 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.932 -10.512 -4.732 1.00 0.00 H new ATOM 0 HG SER A 97 8.012 -9.821 -4.066 1.00 0.00 H new ATOM 1395 N SER A 98 13.060 -9.168 -2.970 1.00 0.00 N ATOM 1396 CA SER A 98 14.476 -9.429 -3.187 1.00 0.00 C ATOM 1397 C SER A 98 15.193 -9.633 -1.852 1.00 0.00 C ATOM 1398 O SER A 98 16.382 -9.344 -1.717 1.00 0.00 O ATOM 1399 CB SER A 98 15.115 -8.275 -3.969 1.00 0.00 C ATOM 1400 OG SER A 98 16.389 -8.633 -4.479 1.00 0.00 O ATOM 0 H SER A 98 12.801 -9.041 -1.992 1.00 0.00 H new ATOM 0 HA SER A 98 14.575 -10.343 -3.773 1.00 0.00 H new ATOM 0 HB2 SER A 98 14.461 -7.986 -4.792 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.214 -7.405 -3.320 1.00 0.00 H new ATOM 0 HG SER A 98 16.936 -9.010 -3.758 1.00 0.00 H new ATOM 1406 N SER A 99 14.472 -10.140 -0.866 1.00 0.00 N ATOM 1407 CA SER A 99 15.057 -10.403 0.434 1.00 0.00 C ATOM 1408 C SER A 99 14.978 -11.894 0.741 1.00 0.00 C ATOM 1409 O SER A 99 16.009 -12.587 0.603 1.00 0.00 O ATOM 1410 CB SER A 99 14.349 -9.588 1.511 1.00 0.00 C ATOM 1411 OG SER A 99 15.134 -9.500 2.690 1.00 0.00 O ATOM 1412 OXT SER A 99 13.879 -12.376 1.073 1.00 0.00 O ATOM 0 H SER A 99 13.483 -10.377 -0.943 1.00 0.00 H new ATOM 0 HA SER A 99 16.105 -10.104 0.422 1.00 0.00 H new ATOM 0 HB2 SER A 99 14.141 -8.587 1.134 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.388 -10.047 1.745 1.00 0.00 H new ATOM 0 HG SER A 99 15.037 -10.325 3.210 1.00 0.00 H new