USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 724 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 88 HIS : no HD1:sc= -3.16 X(o=-4.5,f=-4.9) USER MOD Set 1.2: A 92 SER OG : rot -120:sc= -1.31 USER MOD Set 2.1: A 61 ASN : amide:sc= -1.59 K(o=-1.5,f=-0.058) USER MOD Set 2.2: A 67 SER OG : rot 180:sc= 0.073 USER MOD Set 3.1: A 52 SER OG : rot -64:sc= 0.502 USER MOD Set 3.2: A 78 TYR OH : rot 17:sc= 1.44 USER MOD Set 4.1: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 66 CYS SG : rot 150:sc= -0.114 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 18:sc= 0.558 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.0472 K(o=0.047,f=-3.3!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.957 USER MOD Single : A 27 ASN : amide:sc= -2.4 K(o=-2.4,f=-0.14) USER MOD Single : A 28 LYS NZ :NH3+ -108:sc= 0.0678 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.95 K(o=-3,f=-3.5!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc=-0.000705 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0618 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0932 X(o=-0.093,f=-0.1) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 16:sc= -0.295 USER MOD Single : A 70 TYR OH : rot -167:sc= -0.399 USER MOD Single : A 81 ASN : amide:sc= -1.59 K(o=-1.6,f=-0.38) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 143:sc= 0.908 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.859 27.788 6.768 1.00 0.00 N ATOM 2 CA GLY A 1 -10.282 28.031 8.135 1.00 0.00 C ATOM 3 C GLY A 1 -9.339 28.956 8.878 1.00 0.00 C ATOM 4 O GLY A 1 -8.915 29.981 8.345 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.536 27.150 6.303 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.821 28.689 6.251 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.916 27.350 6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.282 28.464 8.131 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.348 27.081 8.666 1.00 0.00 H new ATOM 8 N SER A 2 -9.009 28.594 10.114 1.00 0.00 N ATOM 9 CA SER A 2 -8.114 29.401 10.934 1.00 0.00 C ATOM 10 C SER A 2 -6.664 28.961 10.751 1.00 0.00 C ATOM 11 O SER A 2 -6.200 28.026 11.403 1.00 0.00 O ATOM 12 CB SER A 2 -8.507 29.298 12.409 1.00 0.00 C ATOM 13 OG SER A 2 -9.876 29.611 12.595 1.00 0.00 O ATOM 0 H SER A 2 -9.348 27.747 10.569 1.00 0.00 H new ATOM 0 HA SER A 2 -8.204 30.439 10.613 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.309 28.289 12.772 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.892 29.976 13.001 1.00 0.00 H new ATOM 0 HG SER A 2 -10.102 29.536 13.546 1.00 0.00 H new ATOM 19 N SER A 3 -5.955 29.643 9.857 1.00 0.00 N ATOM 20 CA SER A 3 -4.559 29.322 9.584 1.00 0.00 C ATOM 21 C SER A 3 -4.352 27.812 9.517 1.00 0.00 C ATOM 22 O SER A 3 -3.367 27.286 10.033 1.00 0.00 O ATOM 23 CB SER A 3 -3.654 29.925 10.660 1.00 0.00 C ATOM 24 OG SER A 3 -4.012 29.456 11.948 1.00 0.00 O ATOM 0 H SER A 3 -6.324 30.421 9.310 1.00 0.00 H new ATOM 0 HA SER A 3 -4.296 29.751 8.617 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.615 29.668 10.452 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.725 31.012 10.632 1.00 0.00 H new ATOM 0 HG SER A 3 -4.559 28.647 11.861 1.00 0.00 H new ATOM 30 N GLY A 4 -5.290 27.120 8.878 1.00 0.00 N ATOM 31 CA GLY A 4 -5.194 25.677 8.756 1.00 0.00 C ATOM 32 C GLY A 4 -4.238 25.251 7.659 1.00 0.00 C ATOM 33 O GLY A 4 -4.596 24.457 6.789 1.00 0.00 O ATOM 0 H GLY A 4 -6.115 27.533 8.443 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.863 25.256 9.706 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.183 25.266 8.552 1.00 0.00 H new ATOM 37 N SER A 5 -3.020 25.781 7.698 1.00 0.00 N ATOM 38 CA SER A 5 -2.012 25.456 6.697 1.00 0.00 C ATOM 39 C SER A 5 -1.041 24.404 7.225 1.00 0.00 C ATOM 40 O SER A 5 -0.087 24.725 7.934 1.00 0.00 O ATOM 41 CB SER A 5 -1.245 26.714 6.286 1.00 0.00 C ATOM 42 OG SER A 5 -0.212 26.405 5.367 1.00 0.00 O ATOM 0 H SER A 5 -2.707 26.438 8.413 1.00 0.00 H new ATOM 0 HA SER A 5 -2.522 25.049 5.824 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.932 27.432 5.838 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.819 27.189 7.170 1.00 0.00 H new ATOM 0 HG SER A 5 0.262 27.226 5.119 1.00 0.00 H new ATOM 48 N SER A 6 -1.292 23.147 6.875 1.00 0.00 N ATOM 49 CA SER A 6 -0.443 22.047 7.317 1.00 0.00 C ATOM 50 C SER A 6 1.020 22.477 7.372 1.00 0.00 C ATOM 51 O SER A 6 1.696 22.293 8.383 1.00 0.00 O ATOM 52 CB SER A 6 -0.598 20.847 6.381 1.00 0.00 C ATOM 53 OG SER A 6 -1.821 20.171 6.616 1.00 0.00 O ATOM 0 H SER A 6 -2.076 22.865 6.287 1.00 0.00 H new ATOM 0 HA SER A 6 -0.757 21.760 8.320 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.558 21.183 5.345 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.235 20.159 6.526 1.00 0.00 H new ATOM 0 HG SER A 6 -1.897 19.409 6.004 1.00 0.00 H new ATOM 59 N GLY A 7 1.503 23.053 6.274 1.00 0.00 N ATOM 60 CA GLY A 7 2.882 23.501 6.217 1.00 0.00 C ATOM 61 C GLY A 7 3.448 23.455 4.812 1.00 0.00 C ATOM 62 O GLY A 7 3.192 24.346 4.003 1.00 0.00 O ATOM 0 H GLY A 7 0.964 23.217 5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.946 24.520 6.598 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.491 22.877 6.871 1.00 0.00 H new ATOM 66 N GLY A 8 4.222 22.414 4.521 1.00 0.00 N ATOM 67 CA GLY A 8 4.816 22.276 3.204 1.00 0.00 C ATOM 68 C GLY A 8 4.316 21.049 2.468 1.00 0.00 C ATOM 69 O GLY A 8 3.620 21.163 1.458 1.00 0.00 O ATOM 0 H GLY A 8 4.448 21.664 5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.594 23.165 2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.900 22.220 3.302 1.00 0.00 H new ATOM 73 N CYS A 9 4.671 19.873 2.972 1.00 0.00 N ATOM 74 CA CYS A 9 4.256 18.619 2.354 1.00 0.00 C ATOM 75 C CYS A 9 2.742 18.579 2.169 1.00 0.00 C ATOM 76 O CYS A 9 2.007 19.310 2.833 1.00 0.00 O ATOM 77 CB CYS A 9 4.708 17.432 3.206 1.00 0.00 C ATOM 78 SG CYS A 9 4.054 17.441 4.892 1.00 0.00 S ATOM 0 H CYS A 9 5.246 19.761 3.807 1.00 0.00 H new ATOM 0 HA CYS A 9 4.726 18.553 1.373 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.402 16.508 2.714 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.797 17.424 3.250 1.00 0.00 H new ATOM 0 HG CYS A 9 4.490 16.397 5.532 1.00 0.00 H new ATOM 84 N GLN A 10 2.285 17.723 1.261 1.00 0.00 N ATOM 85 CA GLN A 10 0.859 17.591 0.986 1.00 0.00 C ATOM 86 C GLN A 10 0.452 16.123 0.912 1.00 0.00 C ATOM 87 O GLN A 10 0.503 15.492 -0.144 1.00 0.00 O ATOM 88 CB GLN A 10 0.502 18.298 -0.323 1.00 0.00 C ATOM 89 CG GLN A 10 0.612 19.812 -0.246 1.00 0.00 C ATOM 90 CD GLN A 10 0.236 20.491 -1.548 1.00 0.00 C ATOM 91 OE1 GLN A 10 -0.880 20.990 -1.702 1.00 0.00 O ATOM 92 NE2 GLN A 10 1.167 20.515 -2.494 1.00 0.00 N ATOM 0 H GLN A 10 2.881 17.111 0.704 1.00 0.00 H new ATOM 0 HA GLN A 10 0.313 18.060 1.804 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.158 17.934 -1.114 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.516 18.030 -0.605 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.035 20.179 0.551 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.633 20.085 0.020 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.078 20.089 -2.324 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.971 20.959 -3.391 1.00 0.00 H new ATOM 101 N PRO A 11 0.039 15.564 2.059 1.00 0.00 N ATOM 102 CA PRO A 11 -0.384 14.164 2.150 1.00 0.00 C ATOM 103 C PRO A 11 -1.707 13.911 1.437 1.00 0.00 C ATOM 104 O PRO A 11 -2.194 12.781 1.392 1.00 0.00 O ATOM 105 CB PRO A 11 -0.536 13.937 3.656 1.00 0.00 C ATOM 106 CG PRO A 11 -0.809 15.289 4.218 1.00 0.00 C ATOM 107 CD PRO A 11 -0.046 16.257 3.356 1.00 0.00 C ATOM 0 HA PRO A 11 0.329 13.491 1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.351 13.247 3.872 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.369 13.506 4.084 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.876 15.510 4.203 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.485 15.353 5.257 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.564 17.212 3.268 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.942 16.467 3.765 1.00 0.00 H new ATOM 115 N SER A 12 -2.286 14.970 0.879 1.00 0.00 N ATOM 116 CA SER A 12 -3.555 14.863 0.170 1.00 0.00 C ATOM 117 C SER A 12 -3.327 14.664 -1.326 1.00 0.00 C ATOM 118 O SER A 12 -4.138 14.040 -2.011 1.00 0.00 O ATOM 119 CB SER A 12 -4.403 16.114 0.406 1.00 0.00 C ATOM 120 OG SER A 12 -3.831 17.244 -0.229 1.00 0.00 O ATOM 0 H SER A 12 -1.896 15.912 0.905 1.00 0.00 H new ATOM 0 HA SER A 12 -4.087 13.994 0.558 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.411 15.951 0.026 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.492 16.300 1.476 1.00 0.00 H new ATOM 0 HG SER A 12 -4.392 18.030 -0.065 1.00 0.00 H new ATOM 126 N ARG A 13 -2.218 15.199 -1.825 1.00 0.00 N ATOM 127 CA ARG A 13 -1.882 15.082 -3.239 1.00 0.00 C ATOM 128 C ARG A 13 -1.437 13.662 -3.576 1.00 0.00 C ATOM 129 O ARG A 13 -1.301 13.304 -4.746 1.00 0.00 O ATOM 130 CB ARG A 13 -0.779 16.075 -3.607 1.00 0.00 C ATOM 131 CG ARG A 13 -1.077 17.503 -3.179 1.00 0.00 C ATOM 132 CD ARG A 13 -1.967 18.213 -4.187 1.00 0.00 C ATOM 133 NE ARG A 13 -1.950 19.662 -4.008 1.00 0.00 N ATOM 134 CZ ARG A 13 -2.860 20.477 -4.528 1.00 0.00 C ATOM 135 NH1 ARG A 13 -3.855 19.988 -5.255 1.00 0.00 N ATOM 136 NH2 ARG A 13 -2.777 21.785 -4.320 1.00 0.00 N ATOM 0 H ARG A 13 -1.537 15.718 -1.271 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.776 15.312 -3.819 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.155 15.754 -3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.627 16.052 -4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.563 17.498 -2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.143 18.053 -3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.637 17.969 -5.197 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.989 17.848 -4.088 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.198 20.070 -3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.923 18.983 -5.416 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.553 20.617 -5.653 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.014 22.165 -3.760 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.477 22.410 -4.720 1.00 0.00 H new ATOM 150 N VAL A 14 -1.210 12.857 -2.543 1.00 0.00 N ATOM 151 CA VAL A 14 -0.780 11.477 -2.730 1.00 0.00 C ATOM 152 C VAL A 14 -1.946 10.590 -3.152 1.00 0.00 C ATOM 153 O VAL A 14 -3.074 10.774 -2.697 1.00 0.00 O ATOM 154 CB VAL A 14 -0.154 10.905 -1.443 1.00 0.00 C ATOM 155 CG1 VAL A 14 0.544 9.584 -1.730 1.00 0.00 C ATOM 156 CG2 VAL A 14 0.813 11.907 -0.831 1.00 0.00 C ATOM 0 H VAL A 14 -1.317 13.137 -1.568 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.028 11.484 -3.519 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.951 10.718 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.980 9.195 -0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.179 8.868 -2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.332 9.741 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.246 11.487 0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.608 12.128 -1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.279 12.826 -0.587 1.00 0.00 H new ATOM 166 N GLN A 15 -1.665 9.628 -4.025 1.00 0.00 N ATOM 167 CA GLN A 15 -2.692 8.713 -4.509 1.00 0.00 C ATOM 168 C GLN A 15 -2.173 7.279 -4.536 1.00 0.00 C ATOM 169 O GLN A 15 -1.021 7.032 -4.890 1.00 0.00 O ATOM 170 CB GLN A 15 -3.156 9.127 -5.906 1.00 0.00 C ATOM 171 CG GLN A 15 -3.894 10.456 -5.933 1.00 0.00 C ATOM 172 CD GLN A 15 -4.638 10.684 -7.234 1.00 0.00 C ATOM 173 OE1 GLN A 15 -5.868 10.728 -7.260 1.00 0.00 O ATOM 174 NE2 GLN A 15 -3.894 10.830 -8.324 1.00 0.00 N ATOM 0 H GLN A 15 -0.736 9.462 -4.411 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.539 8.761 -3.824 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.289 9.189 -6.564 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.807 8.351 -6.308 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.601 10.492 -5.104 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.181 11.266 -5.780 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.877 10.787 -8.257 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.339 10.986 -9.228 1.00 0.00 H new ATOM 183 N ALA A 16 -3.032 6.337 -4.161 1.00 0.00 N ATOM 184 CA ALA A 16 -2.662 4.927 -4.145 1.00 0.00 C ATOM 185 C ALA A 16 -3.544 4.116 -5.087 1.00 0.00 C ATOM 186 O ALA A 16 -4.770 4.152 -4.987 1.00 0.00 O ATOM 187 CB ALA A 16 -2.750 4.375 -2.730 1.00 0.00 C ATOM 0 H ALA A 16 -3.990 6.525 -3.864 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.632 4.843 -4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.471 3.321 -2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.072 4.928 -2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.771 4.479 -2.362 1.00 0.00 H new ATOM 193 N GLN A 17 -2.912 3.388 -6.002 1.00 0.00 N ATOM 194 CA GLN A 17 -3.642 2.569 -6.963 1.00 0.00 C ATOM 195 C GLN A 17 -2.930 1.241 -7.198 1.00 0.00 C ATOM 196 O GLN A 17 -1.849 1.001 -6.661 1.00 0.00 O ATOM 197 CB GLN A 17 -3.799 3.319 -8.287 1.00 0.00 C ATOM 198 CG GLN A 17 -2.489 3.517 -9.033 1.00 0.00 C ATOM 199 CD GLN A 17 -2.696 3.957 -10.469 1.00 0.00 C ATOM 200 OE1 GLN A 17 -3.806 4.312 -10.868 1.00 0.00 O ATOM 201 NE2 GLN A 17 -1.626 3.935 -11.255 1.00 0.00 N ATOM 0 H GLN A 17 -1.897 3.348 -6.098 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.630 2.362 -6.551 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.492 2.771 -8.926 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.247 4.293 -8.092 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.888 4.262 -8.512 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.924 2.585 -9.020 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.726 3.634 -10.882 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.704 4.219 -12.231 1.00 0.00 H new ATOM 210 N GLY A 18 -3.544 0.381 -8.005 1.00 0.00 N ATOM 211 CA GLY A 18 -2.955 -0.913 -8.296 1.00 0.00 C ATOM 212 C GLY A 18 -3.731 -2.057 -7.674 1.00 0.00 C ATOM 213 O GLY A 18 -4.705 -1.853 -6.950 1.00 0.00 O ATOM 0 H GLY A 18 -4.439 0.557 -8.462 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.910 -1.054 -9.376 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.929 -0.932 -7.929 1.00 0.00 H new ATOM 217 N PRO A 19 -3.298 -3.295 -7.958 1.00 0.00 N ATOM 218 CA PRO A 19 -3.945 -4.500 -7.433 1.00 0.00 C ATOM 219 C PRO A 19 -3.732 -4.664 -5.932 1.00 0.00 C ATOM 220 O PRO A 19 -4.670 -4.955 -5.190 1.00 0.00 O ATOM 221 CB PRO A 19 -3.258 -5.634 -8.197 1.00 0.00 C ATOM 222 CG PRO A 19 -1.929 -5.082 -8.580 1.00 0.00 C ATOM 223 CD PRO A 19 -2.142 -3.612 -8.814 1.00 0.00 C ATOM 0 HA PRO A 19 -5.027 -4.473 -7.566 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.153 -6.523 -7.576 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.834 -5.925 -9.075 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.195 -5.249 -7.791 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.548 -5.569 -9.478 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.264 -3.029 -8.536 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.348 -3.398 -9.863 1.00 0.00 H new ATOM 231 N GLY A 20 -2.493 -4.475 -5.490 1.00 0.00 N ATOM 232 CA GLY A 20 -2.180 -4.607 -4.079 1.00 0.00 C ATOM 233 C GLY A 20 -3.249 -4.003 -3.189 1.00 0.00 C ATOM 234 O GLY A 20 -3.382 -4.379 -2.024 1.00 0.00 O ATOM 0 H GLY A 20 -1.700 -4.233 -6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.061 -5.662 -3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.225 -4.122 -3.875 1.00 0.00 H new ATOM 238 N LEU A 21 -4.012 -3.065 -3.738 1.00 0.00 N ATOM 239 CA LEU A 21 -5.074 -2.406 -2.986 1.00 0.00 C ATOM 240 C LEU A 21 -6.443 -2.939 -3.395 1.00 0.00 C ATOM 241 O LEU A 21 -7.397 -2.893 -2.619 1.00 0.00 O ATOM 242 CB LEU A 21 -5.017 -0.893 -3.204 1.00 0.00 C ATOM 243 CG LEU A 21 -3.653 -0.235 -2.995 1.00 0.00 C ATOM 244 CD1 LEU A 21 -3.651 1.179 -3.554 1.00 0.00 C ATOM 245 CD2 LEU A 21 -3.285 -0.227 -1.519 1.00 0.00 C ATOM 0 H LEU A 21 -3.915 -2.743 -4.701 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.923 -2.620 -1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.349 -0.680 -4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.732 -0.422 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.904 -0.817 -3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.672 1.631 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.869 1.148 -4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.411 1.772 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.311 0.245 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.036 0.331 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.244 -1.251 -1.149 1.00 0.00 H new ATOM 257 N LYS A 22 -6.532 -3.448 -4.620 1.00 0.00 N ATOM 258 CA LYS A 22 -7.782 -3.994 -5.133 1.00 0.00 C ATOM 259 C LYS A 22 -8.055 -5.375 -4.544 1.00 0.00 C ATOM 260 O LYS A 22 -9.136 -5.632 -4.016 1.00 0.00 O ATOM 261 CB LYS A 22 -7.737 -4.079 -6.660 1.00 0.00 C ATOM 262 CG LYS A 22 -7.624 -2.726 -7.341 1.00 0.00 C ATOM 263 CD LYS A 22 -8.961 -2.005 -7.374 1.00 0.00 C ATOM 264 CE LYS A 22 -9.771 -2.387 -8.603 1.00 0.00 C ATOM 265 NZ LYS A 22 -10.943 -1.489 -8.795 1.00 0.00 N ATOM 0 H LYS A 22 -5.752 -3.493 -5.276 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.590 -3.325 -4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.890 -4.698 -6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.637 -4.581 -7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.892 -2.113 -6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.256 -2.859 -8.358 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.528 -2.246 -6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.795 -0.928 -7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.133 -2.346 -9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.114 -3.417 -8.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.470 -1.782 -9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.565 -1.547 -7.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.614 -0.509 -8.913 1.00 0.00 H new ATOM 279 N GLU A 23 -7.066 -6.259 -4.638 1.00 0.00 N ATOM 280 CA GLU A 23 -7.201 -7.613 -4.114 1.00 0.00 C ATOM 281 C GLU A 23 -5.845 -8.310 -4.051 1.00 0.00 C ATOM 282 O GLU A 23 -5.028 -8.186 -4.964 1.00 0.00 O ATOM 283 CB GLU A 23 -8.164 -8.426 -4.982 1.00 0.00 C ATOM 284 CG GLU A 23 -7.605 -8.772 -6.352 1.00 0.00 C ATOM 285 CD GLU A 23 -7.648 -7.600 -7.312 1.00 0.00 C ATOM 286 OE1 GLU A 23 -8.748 -7.046 -7.523 1.00 0.00 O ATOM 287 OE2 GLU A 23 -6.583 -7.236 -7.854 1.00 0.00 O ATOM 0 H GLU A 23 -6.164 -6.062 -5.072 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.603 -7.545 -3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.420 -9.348 -4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.089 -7.864 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.575 -9.111 -6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.172 -9.602 -6.773 1.00 0.00 H new ATOM 294 N ALA A 24 -5.612 -9.041 -2.966 1.00 0.00 N ATOM 295 CA ALA A 24 -4.356 -9.758 -2.784 1.00 0.00 C ATOM 296 C ALA A 24 -4.605 -11.205 -2.369 1.00 0.00 C ATOM 297 O ALA A 24 -5.751 -11.631 -2.226 1.00 0.00 O ATOM 298 CB ALA A 24 -3.491 -9.053 -1.750 1.00 0.00 C ATOM 0 H ALA A 24 -6.276 -9.152 -2.200 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.829 -9.766 -3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.556 -9.599 -1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.276 -8.039 -2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.020 -9.015 -0.798 1.00 0.00 H new ATOM 304 N PHE A 25 -3.525 -11.955 -2.178 1.00 0.00 N ATOM 305 CA PHE A 25 -3.627 -13.355 -1.782 1.00 0.00 C ATOM 306 C PHE A 25 -2.540 -13.714 -0.773 1.00 0.00 C ATOM 307 O PHE A 25 -1.667 -12.902 -0.467 1.00 0.00 O ATOM 308 CB PHE A 25 -3.521 -14.263 -3.008 1.00 0.00 C ATOM 309 CG PHE A 25 -4.847 -14.567 -3.646 1.00 0.00 C ATOM 310 CD1 PHE A 25 -5.592 -13.561 -4.239 1.00 0.00 C ATOM 311 CD2 PHE A 25 -5.347 -15.859 -3.652 1.00 0.00 C ATOM 312 CE1 PHE A 25 -6.812 -13.838 -4.825 1.00 0.00 C ATOM 313 CE2 PHE A 25 -6.567 -16.142 -4.238 1.00 0.00 C ATOM 314 CZ PHE A 25 -7.300 -15.130 -4.826 1.00 0.00 C ATOM 0 H PHE A 25 -2.569 -11.617 -2.291 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.599 -13.504 -1.312 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.872 -13.790 -3.745 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.044 -15.199 -2.717 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.215 -12.549 -4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.777 -16.654 -3.194 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.384 -13.044 -5.282 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.946 -17.153 -4.236 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.253 -15.348 -5.286 1.00 0.00 H new ATOM 324 N THR A 26 -2.601 -14.939 -0.258 1.00 0.00 N ATOM 325 CA THR A 26 -1.624 -15.407 0.717 1.00 0.00 C ATOM 326 C THR A 26 -0.348 -15.882 0.033 1.00 0.00 C ATOM 327 O THR A 26 -0.397 -16.613 -0.955 1.00 0.00 O ATOM 328 CB THR A 26 -2.192 -16.555 1.574 1.00 0.00 C ATOM 329 OG1 THR A 26 -2.591 -17.643 0.732 1.00 0.00 O ATOM 330 CG2 THR A 26 -3.381 -16.080 2.396 1.00 0.00 C ATOM 0 H THR A 26 -3.317 -15.624 -0.500 1.00 0.00 H new ATOM 0 HA THR A 26 -1.392 -14.561 1.363 1.00 0.00 H new ATOM 0 HB THR A 26 -1.411 -16.891 2.256 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.949 -18.369 1.284 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.765 -16.908 2.993 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.067 -15.272 3.056 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.164 -15.720 1.729 1.00 0.00 H new ATOM 338 N ASN A 27 0.795 -15.461 0.565 1.00 0.00 N ATOM 339 CA ASN A 27 2.086 -15.845 0.005 1.00 0.00 C ATOM 340 C ASN A 27 2.189 -15.426 -1.458 1.00 0.00 C ATOM 341 O ASN A 27 2.928 -16.029 -2.238 1.00 0.00 O ATOM 342 CB ASN A 27 2.292 -17.355 0.131 1.00 0.00 C ATOM 343 CG ASN A 27 2.341 -17.814 1.576 1.00 0.00 C ATOM 344 OD1 ASN A 27 3.367 -18.303 2.049 1.00 0.00 O ATOM 345 ND2 ASN A 27 1.229 -17.657 2.284 1.00 0.00 N ATOM 0 H ASN A 27 0.854 -14.854 1.383 1.00 0.00 H new ATOM 0 HA ASN A 27 2.866 -15.332 0.568 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.484 -17.873 -0.385 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.220 -17.635 -0.368 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.202 -17.947 3.262 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.402 -17.247 1.850 1.00 0.00 H new ATOM 352 N LYS A 28 1.445 -14.389 -1.826 1.00 0.00 N ATOM 353 CA LYS A 28 1.453 -13.887 -3.195 1.00 0.00 C ATOM 354 C LYS A 28 1.961 -12.450 -3.244 1.00 0.00 C ATOM 355 O LYS A 28 1.700 -11.643 -2.352 1.00 0.00 O ATOM 356 CB LYS A 28 0.048 -13.964 -3.796 1.00 0.00 C ATOM 357 CG LYS A 28 -0.352 -15.363 -4.231 1.00 0.00 C ATOM 358 CD LYS A 28 -1.309 -15.328 -5.411 1.00 0.00 C ATOM 359 CE LYS A 28 -2.241 -16.530 -5.409 1.00 0.00 C ATOM 360 NZ LYS A 28 -3.305 -16.409 -6.444 1.00 0.00 N ATOM 0 H LYS A 28 0.828 -13.879 -1.194 1.00 0.00 H new ATOM 0 HA LYS A 28 2.127 -14.512 -3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.672 -13.601 -3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.008 -13.296 -4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.539 -15.930 -4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.821 -15.884 -3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.897 -14.411 -5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.741 -15.308 -6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.664 -17.437 -5.586 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.701 -16.631 -4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.218 -16.220 -5.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.074 -15.627 -7.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.367 -17.296 -6.984 1.00 0.00 H new ATOM 374 N PRO A 29 2.703 -12.120 -4.312 1.00 0.00 N ATOM 375 CA PRO A 29 3.261 -10.778 -4.504 1.00 0.00 C ATOM 376 C PRO A 29 2.185 -9.741 -4.808 1.00 0.00 C ATOM 377 O PRO A 29 1.505 -9.820 -5.831 1.00 0.00 O ATOM 378 CB PRO A 29 4.193 -10.950 -5.706 1.00 0.00 C ATOM 379 CG PRO A 29 3.638 -12.114 -6.452 1.00 0.00 C ATOM 380 CD PRO A 29 3.054 -13.031 -5.414 1.00 0.00 C ATOM 0 HA PRO A 29 3.762 -10.413 -3.608 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.209 -10.054 -6.326 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.219 -11.136 -5.388 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.876 -11.794 -7.163 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.417 -12.618 -7.024 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.179 -13.560 -5.792 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.772 -13.788 -5.097 1.00 0.00 H new ATOM 388 N ASN A 30 2.037 -8.769 -3.914 1.00 0.00 N ATOM 389 CA ASN A 30 1.043 -7.715 -4.088 1.00 0.00 C ATOM 390 C ASN A 30 1.699 -6.338 -4.057 1.00 0.00 C ATOM 391 O ASN A 30 2.267 -5.932 -3.043 1.00 0.00 O ATOM 392 CB ASN A 30 -0.025 -7.809 -2.997 1.00 0.00 C ATOM 393 CG ASN A 30 -0.294 -9.239 -2.572 1.00 0.00 C ATOM 394 OD1 ASN A 30 -1.006 -9.977 -3.254 1.00 0.00 O ATOM 395 ND2 ASN A 30 0.274 -9.637 -1.440 1.00 0.00 N ATOM 0 H ASN A 30 2.592 -8.689 -3.062 1.00 0.00 H new ATOM 0 HA ASN A 30 0.572 -7.851 -5.061 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.293 -7.229 -2.130 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.950 -7.360 -3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.128 -10.589 -1.103 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.857 -8.991 -0.907 1.00 0.00 H new ATOM 402 N VAL A 31 1.617 -5.624 -5.176 1.00 0.00 N ATOM 403 CA VAL A 31 2.200 -4.292 -5.277 1.00 0.00 C ATOM 404 C VAL A 31 1.140 -3.252 -5.622 1.00 0.00 C ATOM 405 O VAL A 31 0.009 -3.594 -5.968 1.00 0.00 O ATOM 406 CB VAL A 31 3.313 -4.246 -6.340 1.00 0.00 C ATOM 407 CG1 VAL A 31 4.241 -5.443 -6.194 1.00 0.00 C ATOM 408 CG2 VAL A 31 2.713 -4.193 -7.737 1.00 0.00 C ATOM 0 H VAL A 31 1.152 -5.946 -6.025 1.00 0.00 H new ATOM 0 HA VAL A 31 2.629 -4.060 -4.302 1.00 0.00 H new ATOM 0 HB VAL A 31 3.901 -3.341 -6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.021 -5.393 -6.954 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.697 -5.431 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.670 -6.363 -6.320 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.514 -4.161 -8.476 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.101 -5.079 -7.904 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.094 -3.301 -7.834 1.00 0.00 H new ATOM 418 N PHE A 32 1.513 -1.980 -5.525 1.00 0.00 N ATOM 419 CA PHE A 32 0.593 -0.889 -5.826 1.00 0.00 C ATOM 420 C PHE A 32 1.357 0.392 -6.147 1.00 0.00 C ATOM 421 O PHE A 32 2.438 0.637 -5.610 1.00 0.00 O ATOM 422 CB PHE A 32 -0.353 -0.651 -4.648 1.00 0.00 C ATOM 423 CG PHE A 32 0.353 -0.533 -3.327 1.00 0.00 C ATOM 424 CD1 PHE A 32 0.732 -1.666 -2.625 1.00 0.00 C ATOM 425 CD2 PHE A 32 0.638 0.712 -2.788 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.381 -1.559 -1.409 1.00 0.00 C ATOM 427 CE2 PHE A 32 1.287 0.824 -1.573 1.00 0.00 C ATOM 428 CZ PHE A 32 1.660 -0.313 -0.883 1.00 0.00 C ATOM 0 H PHE A 32 2.445 -1.679 -5.241 1.00 0.00 H new ATOM 0 HA PHE A 32 0.007 -1.171 -6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.924 0.260 -4.829 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.069 -1.471 -4.596 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.518 -2.643 -3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.350 1.604 -3.324 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.670 -2.450 -0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.502 1.800 -1.163 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.169 -0.228 0.066 1.00 0.00 H new ATOM 438 N THR A 33 0.787 1.209 -7.029 1.00 0.00 N ATOM 439 CA THR A 33 1.414 2.464 -7.424 1.00 0.00 C ATOM 440 C THR A 33 1.016 3.596 -6.484 1.00 0.00 C ATOM 441 O THR A 33 -0.159 3.762 -6.157 1.00 0.00 O ATOM 442 CB THR A 33 1.034 2.852 -8.865 1.00 0.00 C ATOM 443 OG1 THR A 33 1.243 1.740 -9.743 1.00 0.00 O ATOM 444 CG2 THR A 33 1.856 4.040 -9.340 1.00 0.00 C ATOM 0 H THR A 33 -0.107 1.023 -7.483 1.00 0.00 H new ATOM 0 HA THR A 33 2.492 2.311 -7.369 1.00 0.00 H new ATOM 0 HB THR A 33 -0.020 3.131 -8.877 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.997 1.994 -10.657 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.570 4.296 -10.360 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.673 4.893 -8.687 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.915 3.784 -9.314 1.00 0.00 H new ATOM 452 N VAL A 34 2.003 4.374 -6.051 1.00 0.00 N ATOM 453 CA VAL A 34 1.756 5.493 -5.150 1.00 0.00 C ATOM 454 C VAL A 34 2.259 6.802 -5.747 1.00 0.00 C ATOM 455 O VAL A 34 3.420 7.173 -5.570 1.00 0.00 O ATOM 456 CB VAL A 34 2.431 5.272 -3.783 1.00 0.00 C ATOM 457 CG1 VAL A 34 2.184 6.461 -2.867 1.00 0.00 C ATOM 458 CG2 VAL A 34 1.933 3.984 -3.145 1.00 0.00 C ATOM 0 H VAL A 34 2.982 4.250 -6.310 1.00 0.00 H new ATOM 0 HA VAL A 34 0.677 5.553 -5.009 1.00 0.00 H new ATOM 0 HB VAL A 34 3.506 5.181 -3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.668 6.287 -1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.594 7.362 -3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.112 6.587 -2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.420 3.844 -2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.854 4.043 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.167 3.141 -3.796 1.00 0.00 H new ATOM 468 N VAL A 35 1.378 7.500 -6.457 1.00 0.00 N ATOM 469 CA VAL A 35 1.732 8.770 -7.080 1.00 0.00 C ATOM 470 C VAL A 35 2.017 9.837 -6.030 1.00 0.00 C ATOM 471 O VAL A 35 1.124 10.253 -5.291 1.00 0.00 O ATOM 472 CB VAL A 35 0.611 9.269 -8.012 1.00 0.00 C ATOM 473 CG1 VAL A 35 0.909 10.679 -8.498 1.00 0.00 C ATOM 474 CG2 VAL A 35 0.433 8.319 -9.186 1.00 0.00 C ATOM 0 H VAL A 35 0.414 7.207 -6.615 1.00 0.00 H new ATOM 0 HA VAL A 35 2.633 8.594 -7.668 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.322 9.294 -7.449 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.107 11.015 -9.155 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.983 11.351 -7.643 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.852 10.684 -9.045 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.363 8.687 -9.834 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.363 8.260 -9.751 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.171 7.328 -8.816 1.00 0.00 H new ATOM 484 N THR A 36 3.270 10.278 -5.967 1.00 0.00 N ATOM 485 CA THR A 36 3.674 11.297 -5.007 1.00 0.00 C ATOM 486 C THR A 36 4.417 12.437 -5.694 1.00 0.00 C ATOM 487 O THR A 36 5.377 12.982 -5.150 1.00 0.00 O ATOM 488 CB THR A 36 4.573 10.704 -3.905 1.00 0.00 C ATOM 489 OG1 THR A 36 5.839 10.326 -4.456 1.00 0.00 O ATOM 490 CG2 THR A 36 3.913 9.495 -3.260 1.00 0.00 C ATOM 0 H THR A 36 4.022 9.945 -6.570 1.00 0.00 H new ATOM 0 HA THR A 36 2.761 11.684 -4.554 1.00 0.00 H new ATOM 0 HB THR A 36 4.723 11.466 -3.141 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.405 9.952 -3.749 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.567 9.094 -2.485 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.963 9.793 -2.815 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.735 8.731 -4.017 1.00 0.00 H new ATOM 498 N ARG A 37 3.967 12.792 -6.893 1.00 0.00 N ATOM 499 CA ARG A 37 4.590 13.868 -7.655 1.00 0.00 C ATOM 500 C ARG A 37 4.020 15.223 -7.248 1.00 0.00 C ATOM 501 O ARG A 37 4.636 16.262 -7.482 1.00 0.00 O ATOM 502 CB ARG A 37 4.383 13.645 -9.155 1.00 0.00 C ATOM 503 CG ARG A 37 2.921 13.635 -9.573 1.00 0.00 C ATOM 504 CD ARG A 37 2.758 14.022 -11.034 1.00 0.00 C ATOM 505 NE ARG A 37 2.863 15.465 -11.233 1.00 0.00 N ATOM 506 CZ ARG A 37 1.897 16.323 -10.924 1.00 0.00 C ATOM 507 NH1 ARG A 37 0.759 15.884 -10.404 1.00 0.00 N ATOM 508 NH2 ARG A 37 2.068 17.622 -11.134 1.00 0.00 N ATOM 0 H ARG A 37 3.174 12.350 -7.358 1.00 0.00 H new ATOM 0 HA ARG A 37 5.658 13.863 -7.437 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.904 14.428 -9.706 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.840 12.697 -9.439 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.501 12.643 -9.409 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.357 14.327 -8.947 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.519 13.518 -11.630 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.789 13.676 -11.395 1.00 0.00 H new ATOM 0 HE ARG A 37 3.726 15.835 -11.631 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.624 14.886 -10.241 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.018 16.544 -10.167 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.942 17.963 -11.533 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.325 18.279 -10.896 1.00 0.00 H new ATOM 522 N GLY A 38 2.839 15.204 -6.637 1.00 0.00 N ATOM 523 CA GLY A 38 2.206 16.437 -6.208 1.00 0.00 C ATOM 524 C GLY A 38 2.438 16.727 -4.738 1.00 0.00 C ATOM 525 O GLY A 38 2.602 17.881 -4.345 1.00 0.00 O ATOM 0 H GLY A 38 2.310 14.357 -6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.590 17.265 -6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.134 16.377 -6.399 1.00 0.00 H new ATOM 529 N ALA A 39 2.450 15.676 -3.925 1.00 0.00 N ATOM 530 CA ALA A 39 2.664 15.824 -2.490 1.00 0.00 C ATOM 531 C ALA A 39 3.888 16.687 -2.203 1.00 0.00 C ATOM 532 O ALA A 39 3.794 17.709 -1.525 1.00 0.00 O ATOM 533 CB ALA A 39 2.813 14.458 -1.836 1.00 0.00 C ATOM 0 H ALA A 39 2.314 14.714 -4.235 1.00 0.00 H new ATOM 0 HA ALA A 39 1.793 16.325 -2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.972 14.583 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.908 13.874 -2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.666 13.937 -2.271 1.00 0.00 H new ATOM 539 N GLY A 40 5.037 16.267 -2.724 1.00 0.00 N ATOM 540 CA GLY A 40 6.264 17.013 -2.512 1.00 0.00 C ATOM 541 C GLY A 40 7.401 16.135 -2.029 1.00 0.00 C ATOM 542 O GLY A 40 7.624 15.048 -2.564 1.00 0.00 O ATOM 0 H GLY A 40 5.140 15.424 -3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.555 17.499 -3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.084 17.803 -1.783 1.00 0.00 H new ATOM 546 N ILE A 41 8.122 16.605 -1.018 1.00 0.00 N ATOM 547 CA ILE A 41 9.242 15.855 -0.464 1.00 0.00 C ATOM 548 C ILE A 41 9.005 15.515 1.003 1.00 0.00 C ATOM 549 O ILE A 41 8.670 16.385 1.806 1.00 0.00 O ATOM 550 CB ILE A 41 10.562 16.638 -0.591 1.00 0.00 C ATOM 551 CG1 ILE A 41 10.720 17.188 -2.010 1.00 0.00 C ATOM 552 CG2 ILE A 41 11.743 15.749 -0.228 1.00 0.00 C ATOM 553 CD1 ILE A 41 11.229 16.166 -3.002 1.00 0.00 C ATOM 0 H ILE A 41 7.951 17.503 -0.565 1.00 0.00 H new ATOM 0 HA ILE A 41 9.319 14.933 -1.040 1.00 0.00 H new ATOM 0 HB ILE A 41 10.537 17.478 0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.757 17.567 -2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 41 11.406 18.034 -1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.669 16.317 -0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.634 15.401 0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.773 14.892 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 41 11.316 16.626 -3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.206 15.804 -2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.532 15.330 -3.053 1.00 0.00 H new ATOM 565 N GLY A 42 9.183 14.243 1.347 1.00 0.00 N ATOM 566 CA GLY A 42 8.986 13.810 2.718 1.00 0.00 C ATOM 567 C GLY A 42 9.138 12.311 2.881 1.00 0.00 C ATOM 568 O GLY A 42 8.892 11.550 1.946 1.00 0.00 O ATOM 0 H GLY A 42 9.460 13.505 0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.704 14.317 3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.992 14.109 3.051 1.00 0.00 H new ATOM 572 N GLY A 43 9.547 11.885 4.072 1.00 0.00 N ATOM 573 CA GLY A 43 9.726 10.468 4.331 1.00 0.00 C ATOM 574 C GLY A 43 8.423 9.698 4.268 1.00 0.00 C ATOM 575 O GLY A 43 7.523 9.918 5.080 1.00 0.00 O ATOM 0 H GLY A 43 9.758 12.495 4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.424 10.054 3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.175 10.336 5.315 1.00 0.00 H new ATOM 579 N LEU A 44 8.319 8.792 3.302 1.00 0.00 N ATOM 580 CA LEU A 44 7.114 7.987 3.134 1.00 0.00 C ATOM 581 C LEU A 44 7.171 6.734 4.003 1.00 0.00 C ATOM 582 O LEU A 44 8.197 6.059 4.069 1.00 0.00 O ATOM 583 CB LEU A 44 6.938 7.596 1.666 1.00 0.00 C ATOM 584 CG LEU A 44 5.772 6.657 1.356 1.00 0.00 C ATOM 585 CD1 LEU A 44 4.484 7.446 1.181 1.00 0.00 C ATOM 586 CD2 LEU A 44 6.067 5.831 0.113 1.00 0.00 C ATOM 0 H LEU A 44 9.055 8.596 2.623 1.00 0.00 H new ATOM 0 HA LEU A 44 6.260 8.586 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.810 8.507 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.859 7.124 1.324 1.00 0.00 H new ATOM 0 HG LEU A 44 5.646 5.976 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.665 6.761 0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.264 7.992 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.598 8.151 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.226 5.169 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.221 6.495 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.966 5.236 0.276 1.00 0.00 H new ATOM 598 N GLY A 45 6.060 6.429 4.667 1.00 0.00 N ATOM 599 CA GLY A 45 6.005 5.257 5.520 1.00 0.00 C ATOM 600 C GLY A 45 4.870 4.323 5.150 1.00 0.00 C ATOM 601 O GLY A 45 3.710 4.588 5.470 1.00 0.00 O ATOM 0 H GLY A 45 5.198 6.973 4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.951 4.719 5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.889 5.572 6.557 1.00 0.00 H new ATOM 605 N ILE A 46 5.202 3.229 4.473 1.00 0.00 N ATOM 606 CA ILE A 46 4.201 2.254 4.059 1.00 0.00 C ATOM 607 C ILE A 46 4.309 0.974 4.880 1.00 0.00 C ATOM 608 O ILE A 46 5.373 0.359 4.957 1.00 0.00 O ATOM 609 CB ILE A 46 4.339 1.906 2.565 1.00 0.00 C ATOM 610 CG1 ILE A 46 4.186 3.166 1.709 1.00 0.00 C ATOM 611 CG2 ILE A 46 3.308 0.861 2.167 1.00 0.00 C ATOM 612 CD1 ILE A 46 4.430 2.928 0.236 1.00 0.00 C ATOM 0 H ILE A 46 6.157 2.996 4.200 1.00 0.00 H new ATOM 0 HA ILE A 46 3.226 2.710 4.229 1.00 0.00 H new ATOM 0 HB ILE A 46 5.333 1.491 2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.181 3.567 1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.882 3.925 2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.418 0.626 1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.459 -0.043 2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.306 1.250 2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.305 3.863 -0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.444 2.556 0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.717 2.192 -0.137 1.00 0.00 H new ATOM 624 N THR A 47 3.198 0.574 5.491 1.00 0.00 N ATOM 625 CA THR A 47 3.166 -0.634 6.305 1.00 0.00 C ATOM 626 C THR A 47 1.838 -1.366 6.152 1.00 0.00 C ATOM 627 O THR A 47 0.835 -0.776 5.751 1.00 0.00 O ATOM 628 CB THR A 47 3.393 -0.314 7.795 1.00 0.00 C ATOM 629 OG1 THR A 47 2.743 0.915 8.136 1.00 0.00 O ATOM 630 CG2 THR A 47 4.879 -0.210 8.106 1.00 0.00 C ATOM 0 H THR A 47 2.308 1.070 5.437 1.00 0.00 H new ATOM 0 HA THR A 47 3.974 -1.274 5.951 1.00 0.00 H new ATOM 0 HB THR A 47 2.970 -1.126 8.387 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.890 1.111 9.085 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.014 0.016 9.164 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.367 -1.156 7.872 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.322 0.584 7.505 1.00 0.00 H new ATOM 638 N VAL A 48 1.838 -2.656 6.473 1.00 0.00 N ATOM 639 CA VAL A 48 0.632 -3.469 6.373 1.00 0.00 C ATOM 640 C VAL A 48 0.319 -4.155 7.698 1.00 0.00 C ATOM 641 O VAL A 48 1.211 -4.692 8.355 1.00 0.00 O ATOM 642 CB VAL A 48 0.766 -4.538 5.272 1.00 0.00 C ATOM 643 CG1 VAL A 48 -0.468 -5.427 5.238 1.00 0.00 C ATOM 644 CG2 VAL A 48 0.998 -3.883 3.919 1.00 0.00 C ATOM 0 H VAL A 48 2.660 -3.160 6.805 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.184 -2.794 6.116 1.00 0.00 H new ATOM 0 HB VAL A 48 1.629 -5.163 5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.355 -6.176 4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.585 -5.924 6.201 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.349 -4.819 5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.090 -4.653 3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.156 -3.233 3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.914 -3.293 3.953 1.00 0.00 H new ATOM 654 N GLU A 49 -0.953 -4.135 8.083 1.00 0.00 N ATOM 655 CA GLU A 49 -1.382 -4.755 9.331 1.00 0.00 C ATOM 656 C GLU A 49 -2.442 -5.822 9.071 1.00 0.00 C ATOM 657 O GLU A 49 -3.382 -5.606 8.307 1.00 0.00 O ATOM 658 CB GLU A 49 -1.932 -3.697 10.290 1.00 0.00 C ATOM 659 CG GLU A 49 -0.856 -2.825 10.915 1.00 0.00 C ATOM 660 CD GLU A 49 -1.427 -1.767 11.839 1.00 0.00 C ATOM 661 OE1 GLU A 49 -2.612 -1.411 11.674 1.00 0.00 O ATOM 662 OE2 GLU A 49 -0.688 -1.296 12.729 1.00 0.00 O ATOM 0 H GLU A 49 -1.704 -3.697 7.549 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.515 -5.232 9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.636 -3.062 9.752 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.492 -4.193 11.083 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.163 -3.454 11.473 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.282 -2.341 10.125 1.00 0.00 H new ATOM 669 N GLY A 50 -2.283 -6.975 9.714 1.00 0.00 N ATOM 670 CA GLY A 50 -3.233 -8.059 9.539 1.00 0.00 C ATOM 671 C GLY A 50 -3.042 -9.167 10.556 1.00 0.00 C ATOM 672 O GLY A 50 -2.358 -9.000 11.566 1.00 0.00 O ATOM 0 H GLY A 50 -1.514 -7.178 10.353 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.247 -7.666 9.620 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.130 -8.470 8.535 1.00 0.00 H new ATOM 676 N PRO A 51 -3.657 -10.329 10.293 1.00 0.00 N ATOM 677 CA PRO A 51 -3.567 -11.491 11.181 1.00 0.00 C ATOM 678 C PRO A 51 -2.175 -12.115 11.181 1.00 0.00 C ATOM 679 O PRO A 51 -1.898 -13.039 11.946 1.00 0.00 O ATOM 680 CB PRO A 51 -4.590 -12.467 10.595 1.00 0.00 C ATOM 681 CG PRO A 51 -4.695 -12.087 9.158 1.00 0.00 C ATOM 682 CD PRO A 51 -4.487 -10.599 9.107 1.00 0.00 C ATOM 0 HA PRO A 51 -3.759 -11.224 12.220 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.262 -13.500 10.708 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.553 -12.381 11.099 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.945 -12.606 8.561 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.670 -12.359 8.753 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.986 -10.295 8.188 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.433 -10.059 9.148 1.00 0.00 H new ATOM 690 N SER A 52 -1.303 -11.603 10.318 1.00 0.00 N ATOM 691 CA SER A 52 0.060 -12.113 10.216 1.00 0.00 C ATOM 692 C SER A 52 0.997 -11.050 9.650 1.00 0.00 C ATOM 693 O SER A 52 0.562 -10.131 8.957 1.00 0.00 O ATOM 694 CB SER A 52 0.095 -13.362 9.334 1.00 0.00 C ATOM 695 OG SER A 52 -0.042 -13.023 7.965 1.00 0.00 O ATOM 0 H SER A 52 -1.516 -10.836 9.680 1.00 0.00 H new ATOM 0 HA SER A 52 0.399 -12.375 11.218 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.034 -13.894 9.488 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.707 -14.040 9.626 1.00 0.00 H new ATOM 0 HG SER A 52 -0.922 -12.618 7.815 1.00 0.00 H new ATOM 701 N GLU A 53 2.284 -11.183 9.952 1.00 0.00 N ATOM 702 CA GLU A 53 3.283 -10.234 9.474 1.00 0.00 C ATOM 703 C GLU A 53 3.563 -10.441 7.988 1.00 0.00 C ATOM 704 O GLU A 53 3.917 -11.539 7.559 1.00 0.00 O ATOM 705 CB GLU A 53 4.579 -10.378 10.274 1.00 0.00 C ATOM 706 CG GLU A 53 5.697 -9.469 9.789 1.00 0.00 C ATOM 707 CD GLU A 53 6.859 -9.405 10.761 1.00 0.00 C ATOM 708 OE1 GLU A 53 6.638 -9.005 11.924 1.00 0.00 O ATOM 709 OE2 GLU A 53 7.989 -9.754 10.360 1.00 0.00 O ATOM 0 H GLU A 53 2.660 -11.938 10.525 1.00 0.00 H new ATOM 0 HA GLU A 53 2.888 -9.228 9.614 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.375 -10.162 11.323 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.915 -11.413 10.222 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.055 -9.824 8.823 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.302 -8.465 9.633 1.00 0.00 H new ATOM 716 N SER A 54 3.401 -9.377 7.208 1.00 0.00 N ATOM 717 CA SER A 54 3.631 -9.442 5.770 1.00 0.00 C ATOM 718 C SER A 54 4.987 -8.842 5.410 1.00 0.00 C ATOM 719 O SER A 54 5.421 -7.855 6.004 1.00 0.00 O ATOM 720 CB SER A 54 2.520 -8.705 5.020 1.00 0.00 C ATOM 721 OG SER A 54 1.242 -9.089 5.496 1.00 0.00 O ATOM 0 H SER A 54 3.111 -8.460 7.548 1.00 0.00 H new ATOM 0 HA SER A 54 3.626 -10.491 5.473 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.648 -7.629 5.140 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.593 -8.918 3.954 1.00 0.00 H new ATOM 0 HG SER A 54 0.549 -8.603 5.002 1.00 0.00 H new ATOM 727 N LYS A 55 5.653 -9.446 4.431 1.00 0.00 N ATOM 728 CA LYS A 55 6.960 -8.974 3.989 1.00 0.00 C ATOM 729 C LYS A 55 6.816 -7.790 3.038 1.00 0.00 C ATOM 730 O LYS A 55 6.537 -7.965 1.852 1.00 0.00 O ATOM 731 CB LYS A 55 7.727 -10.105 3.300 1.00 0.00 C ATOM 732 CG LYS A 55 8.577 -10.930 4.251 1.00 0.00 C ATOM 733 CD LYS A 55 9.479 -11.894 3.499 1.00 0.00 C ATOM 734 CE LYS A 55 8.711 -13.116 3.019 1.00 0.00 C ATOM 735 NZ LYS A 55 9.371 -13.761 1.850 1.00 0.00 N ATOM 0 H LYS A 55 5.309 -10.264 3.928 1.00 0.00 H new ATOM 0 HA LYS A 55 7.518 -8.648 4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.016 -10.762 2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.368 -9.680 2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.185 -10.266 4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.930 -11.488 4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.926 -11.385 2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.298 -12.208 4.146 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.629 -13.836 3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.696 -12.824 2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.818 -14.590 1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.427 -13.082 1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.330 -14.063 2.116 1.00 0.00 H new ATOM 749 N ILE A 56 7.011 -6.586 3.566 1.00 0.00 N ATOM 750 CA ILE A 56 6.905 -5.374 2.763 1.00 0.00 C ATOM 751 C ILE A 56 8.260 -4.978 2.185 1.00 0.00 C ATOM 752 O ILE A 56 9.298 -5.183 2.813 1.00 0.00 O ATOM 753 CB ILE A 56 6.348 -4.199 3.588 1.00 0.00 C ATOM 754 CG1 ILE A 56 4.846 -4.374 3.815 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.633 -2.879 2.887 1.00 0.00 C ATOM 756 CD1 ILE A 56 4.305 -3.535 4.951 1.00 0.00 C ATOM 0 H ILE A 56 7.243 -6.424 4.546 1.00 0.00 H new ATOM 0 HA ILE A 56 6.215 -5.594 1.948 1.00 0.00 H new ATOM 0 HB ILE A 56 6.844 -4.188 4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.316 -4.115 2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.637 -5.424 4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.234 -2.058 3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.710 -2.753 2.772 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.160 -2.879 1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.234 -3.710 5.054 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.809 -3.809 5.878 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.482 -2.480 4.741 1.00 0.00 H new ATOM 768 N ASN A 57 8.242 -4.408 0.985 1.00 0.00 N ATOM 769 CA ASN A 57 9.469 -3.982 0.322 1.00 0.00 C ATOM 770 C ASN A 57 9.211 -2.775 -0.576 1.00 0.00 C ATOM 771 O ASN A 57 8.512 -2.878 -1.585 1.00 0.00 O ATOM 772 CB ASN A 57 10.053 -5.130 -0.502 1.00 0.00 C ATOM 773 CG ASN A 57 10.804 -6.132 0.353 1.00 0.00 C ATOM 774 OD1 ASN A 57 11.831 -5.809 0.951 1.00 0.00 O ATOM 775 ND2 ASN A 57 10.295 -7.357 0.414 1.00 0.00 N ATOM 0 H ASN A 57 7.391 -4.230 0.451 1.00 0.00 H new ATOM 0 HA ASN A 57 10.187 -3.694 1.090 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.248 -5.640 -1.032 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.726 -4.725 -1.258 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.757 -8.074 0.973 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.442 -7.581 -0.098 1.00 0.00 H new ATOM 782 N CYS A 58 9.780 -1.635 -0.202 1.00 0.00 N ATOM 783 CA CYS A 58 9.613 -0.408 -0.974 1.00 0.00 C ATOM 784 C CYS A 58 10.659 -0.314 -2.079 1.00 0.00 C ATOM 785 O CYS A 58 11.737 -0.899 -1.979 1.00 0.00 O ATOM 786 CB CYS A 58 9.709 0.812 -0.058 1.00 0.00 C ATOM 787 SG CYS A 58 8.127 1.335 0.645 1.00 0.00 S ATOM 0 H CYS A 58 10.361 -1.534 0.630 1.00 0.00 H new ATOM 0 HA CYS A 58 8.626 -0.430 -1.435 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.399 0.589 0.755 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.137 1.642 -0.620 1.00 0.00 H new ATOM 0 HG CYS A 58 8.312 2.372 1.407 1.00 0.00 H new ATOM 793 N ARG A 59 10.333 0.426 -3.134 1.00 0.00 N ATOM 794 CA ARG A 59 11.244 0.595 -4.260 1.00 0.00 C ATOM 795 C ARG A 59 11.345 2.063 -4.662 1.00 0.00 C ATOM 796 O ARG A 59 10.415 2.841 -4.448 1.00 0.00 O ATOM 797 CB ARG A 59 10.774 -0.240 -5.453 1.00 0.00 C ATOM 798 CG ARG A 59 11.201 -1.698 -5.381 1.00 0.00 C ATOM 799 CD ARG A 59 12.702 -1.848 -5.568 1.00 0.00 C ATOM 800 NE ARG A 59 13.059 -2.085 -6.964 1.00 0.00 N ATOM 801 CZ ARG A 59 13.330 -1.113 -7.828 1.00 0.00 C ATOM 802 NH1 ARG A 59 13.284 0.155 -7.441 1.00 0.00 N ATOM 803 NH2 ARG A 59 13.647 -1.407 -9.083 1.00 0.00 N ATOM 0 H ARG A 59 9.445 0.918 -3.232 1.00 0.00 H new ATOM 0 HA ARG A 59 12.231 0.252 -3.951 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.687 -0.191 -5.514 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.165 0.200 -6.370 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.910 -2.117 -4.418 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.679 -2.270 -6.148 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.203 -0.947 -5.214 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.063 -2.675 -4.956 1.00 0.00 H new ATOM 0 HE ARG A 59 13.103 -3.049 -7.294 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.040 0.386 -6.478 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.493 0.899 -8.107 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.683 -2.381 -9.385 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.855 -0.659 -9.745 1.00 0.00 H new ATOM 817 N ASP A 60 12.479 2.435 -5.245 1.00 0.00 N ATOM 818 CA ASP A 60 12.702 3.809 -5.677 1.00 0.00 C ATOM 819 C ASP A 60 12.429 3.960 -7.171 1.00 0.00 C ATOM 820 O ASP A 60 13.099 3.345 -7.999 1.00 0.00 O ATOM 821 CB ASP A 60 14.136 4.240 -5.362 1.00 0.00 C ATOM 822 CG ASP A 60 14.406 4.307 -3.872 1.00 0.00 C ATOM 823 OD1 ASP A 60 13.435 4.445 -3.099 1.00 0.00 O ATOM 824 OD2 ASP A 60 15.588 4.221 -3.478 1.00 0.00 O ATOM 0 H ASP A 60 13.259 1.803 -5.429 1.00 0.00 H new ATOM 0 HA ASP A 60 12.010 4.451 -5.132 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.832 3.540 -5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.325 5.217 -5.807 1.00 0.00 H new ATOM 829 N ASN A 61 11.441 4.783 -7.506 1.00 0.00 N ATOM 830 CA ASN A 61 11.078 5.013 -8.900 1.00 0.00 C ATOM 831 C ASN A 61 11.626 6.350 -9.391 1.00 0.00 C ATOM 832 O ASN A 61 11.349 7.399 -8.809 1.00 0.00 O ATOM 833 CB ASN A 61 9.557 4.981 -9.065 1.00 0.00 C ATOM 834 CG ASN A 61 8.948 3.689 -8.556 1.00 0.00 C ATOM 835 OD1 ASN A 61 9.468 2.602 -8.810 1.00 0.00 O ATOM 836 ND2 ASN A 61 7.839 3.802 -7.834 1.00 0.00 N ATOM 0 H ASN A 61 10.878 5.302 -6.832 1.00 0.00 H new ATOM 0 HA ASN A 61 11.519 4.217 -9.500 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.118 5.822 -8.529 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.306 5.108 -10.118 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.383 2.967 -7.465 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.443 4.723 -7.648 1.00 0.00 H new ATOM 843 N LYS A 62 12.405 6.304 -10.466 1.00 0.00 N ATOM 844 CA LYS A 62 12.991 7.511 -11.038 1.00 0.00 C ATOM 845 C LYS A 62 12.056 8.134 -12.069 1.00 0.00 C ATOM 846 O LYS A 62 12.502 8.657 -13.090 1.00 0.00 O ATOM 847 CB LYS A 62 14.340 7.189 -11.687 1.00 0.00 C ATOM 848 CG LYS A 62 15.430 6.847 -10.686 1.00 0.00 C ATOM 849 CD LYS A 62 15.904 8.081 -9.936 1.00 0.00 C ATOM 850 CE LYS A 62 17.276 7.863 -9.315 1.00 0.00 C ATOM 851 NZ LYS A 62 17.619 8.933 -8.339 1.00 0.00 N ATOM 0 H LYS A 62 12.645 5.444 -10.959 1.00 0.00 H new ATOM 0 HA LYS A 62 13.144 8.228 -10.231 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.213 6.352 -12.373 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.660 8.044 -12.283 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.055 6.110 -9.976 1.00 0.00 H new ATOM 0 HG3 LYS A 62 16.272 6.390 -11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.943 8.930 -10.618 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.186 8.332 -9.155 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.299 6.895 -8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 62 18.030 7.833 -10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.561 8.748 -7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.622 9.855 -8.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.914 8.945 -7.575 1.00 0.00 H new ATOM 865 N ASP A 63 10.757 8.077 -11.794 1.00 0.00 N ATOM 866 CA ASP A 63 9.759 8.638 -12.696 1.00 0.00 C ATOM 867 C ASP A 63 8.960 9.739 -12.005 1.00 0.00 C ATOM 868 O ASP A 63 8.937 10.882 -12.460 1.00 0.00 O ATOM 869 CB ASP A 63 8.815 7.542 -13.193 1.00 0.00 C ATOM 870 CG ASP A 63 9.548 6.263 -13.545 1.00 0.00 C ATOM 871 OD1 ASP A 63 10.721 6.348 -13.965 1.00 0.00 O ATOM 872 OD2 ASP A 63 8.949 5.176 -13.403 1.00 0.00 O ATOM 0 H ASP A 63 10.371 7.648 -10.953 1.00 0.00 H new ATOM 0 HA ASP A 63 10.280 9.072 -13.549 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.071 7.331 -12.425 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.275 7.901 -14.069 1.00 0.00 H new ATOM 877 N GLY A 64 8.305 9.386 -10.903 1.00 0.00 N ATOM 878 CA GLY A 64 7.513 10.355 -10.168 1.00 0.00 C ATOM 879 C GLY A 64 6.466 9.701 -9.289 1.00 0.00 C ATOM 880 O GLY A 64 5.359 10.219 -9.140 1.00 0.00 O ATOM 0 H GLY A 64 8.309 8.446 -10.506 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.172 10.965 -9.550 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.023 11.028 -10.872 1.00 0.00 H new ATOM 884 N SER A 65 6.814 8.557 -8.707 1.00 0.00 N ATOM 885 CA SER A 65 5.893 7.828 -7.843 1.00 0.00 C ATOM 886 C SER A 65 6.654 6.919 -6.883 1.00 0.00 C ATOM 887 O SER A 65 7.885 6.929 -6.845 1.00 0.00 O ATOM 888 CB SER A 65 4.919 7.000 -8.683 1.00 0.00 C ATOM 889 OG SER A 65 3.956 7.828 -9.311 1.00 0.00 O ATOM 0 H SER A 65 7.727 8.116 -8.818 1.00 0.00 H new ATOM 0 HA SER A 65 5.330 8.555 -7.258 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.470 6.440 -9.439 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.417 6.269 -8.049 1.00 0.00 H new ATOM 0 HG SER A 65 4.259 8.760 -9.285 1.00 0.00 H new ATOM 895 N CYS A 66 5.913 6.135 -6.108 1.00 0.00 N ATOM 896 CA CYS A 66 6.517 5.219 -5.146 1.00 0.00 C ATOM 897 C CYS A 66 5.925 3.820 -5.282 1.00 0.00 C ATOM 898 O CYS A 66 4.713 3.659 -5.425 1.00 0.00 O ATOM 899 CB CYS A 66 6.313 5.737 -3.721 1.00 0.00 C ATOM 900 SG CYS A 66 7.398 7.113 -3.274 1.00 0.00 S ATOM 0 H CYS A 66 4.893 6.115 -6.127 1.00 0.00 H new ATOM 0 HA CYS A 66 7.585 5.163 -5.355 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.276 6.053 -3.606 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.476 4.917 -3.021 1.00 0.00 H new ATOM 0 HG CYS A 66 6.799 7.874 -2.407 1.00 0.00 H new ATOM 906 N SER A 67 6.789 2.811 -5.237 1.00 0.00 N ATOM 907 CA SER A 67 6.352 1.425 -5.360 1.00 0.00 C ATOM 908 C SER A 67 6.548 0.675 -4.046 1.00 0.00 C ATOM 909 O SER A 67 7.594 0.783 -3.407 1.00 0.00 O ATOM 910 CB SER A 67 7.122 0.724 -6.481 1.00 0.00 C ATOM 911 OG SER A 67 6.496 0.929 -7.736 1.00 0.00 O ATOM 0 H SER A 67 7.795 2.927 -5.116 1.00 0.00 H new ATOM 0 HA SER A 67 5.289 1.424 -5.603 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.144 1.101 -6.515 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.183 -0.344 -6.272 1.00 0.00 H new ATOM 0 HG SER A 67 7.008 0.472 -8.436 1.00 0.00 H new ATOM 917 N ALA A 68 5.533 -0.086 -3.650 1.00 0.00 N ATOM 918 CA ALA A 68 5.593 -0.856 -2.414 1.00 0.00 C ATOM 919 C ALA A 68 4.940 -2.223 -2.586 1.00 0.00 C ATOM 920 O ALA A 68 3.772 -2.319 -2.962 1.00 0.00 O ATOM 921 CB ALA A 68 4.926 -0.089 -1.281 1.00 0.00 C ATOM 0 H ALA A 68 4.660 -0.186 -4.167 1.00 0.00 H new ATOM 0 HA ALA A 68 6.642 -1.013 -2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.978 -0.676 -0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.439 0.861 -1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.882 0.098 -1.533 1.00 0.00 H new ATOM 927 N GLU A 69 5.702 -3.277 -2.310 1.00 0.00 N ATOM 928 CA GLU A 69 5.196 -4.638 -2.437 1.00 0.00 C ATOM 929 C GLU A 69 5.089 -5.309 -1.070 1.00 0.00 C ATOM 930 O GLU A 69 5.882 -5.036 -0.169 1.00 0.00 O ATOM 931 CB GLU A 69 6.106 -5.461 -3.351 1.00 0.00 C ATOM 932 CG GLU A 69 7.485 -5.717 -2.766 1.00 0.00 C ATOM 933 CD GLU A 69 8.539 -5.937 -3.833 1.00 0.00 C ATOM 934 OE1 GLU A 69 8.381 -5.391 -4.945 1.00 0.00 O ATOM 935 OE2 GLU A 69 9.523 -6.656 -3.557 1.00 0.00 O ATOM 0 H GLU A 69 6.671 -3.214 -1.997 1.00 0.00 H new ATOM 0 HA GLU A 69 4.200 -4.588 -2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.627 -6.417 -3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.215 -4.942 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.775 -4.870 -2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.443 -6.591 -2.116 1.00 0.00 H new ATOM 942 N TYR A 70 4.102 -6.186 -0.924 1.00 0.00 N ATOM 943 CA TYR A 70 3.888 -6.893 0.333 1.00 0.00 C ATOM 944 C TYR A 70 3.430 -8.326 0.081 1.00 0.00 C ATOM 945 O TYR A 70 2.839 -8.627 -0.957 1.00 0.00 O ATOM 946 CB TYR A 70 2.854 -6.158 1.187 1.00 0.00 C ATOM 947 CG TYR A 70 1.446 -6.244 0.641 1.00 0.00 C ATOM 948 CD1 TYR A 70 0.609 -7.297 0.987 1.00 0.00 C ATOM 949 CD2 TYR A 70 0.954 -5.271 -0.219 1.00 0.00 C ATOM 950 CE1 TYR A 70 -0.677 -7.380 0.489 1.00 0.00 C ATOM 951 CE2 TYR A 70 -0.332 -5.345 -0.720 1.00 0.00 C ATOM 952 CZ TYR A 70 -1.143 -6.401 -0.364 1.00 0.00 C ATOM 953 OH TYR A 70 -2.424 -6.480 -0.860 1.00 0.00 O ATOM 0 H TYR A 70 3.438 -6.424 -1.660 1.00 0.00 H new ATOM 0 HA TYR A 70 4.837 -6.923 0.869 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.869 -6.570 2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.140 -5.109 1.267 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.970 -8.064 1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.587 -4.443 -0.501 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.314 -8.207 0.766 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.700 -4.579 -1.387 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.530 -5.841 -1.596 1.00 0.00 H new ATOM 963 N ILE A 71 3.706 -9.206 1.038 1.00 0.00 N ATOM 964 CA ILE A 71 3.321 -10.607 0.921 1.00 0.00 C ATOM 965 C ILE A 71 2.893 -11.174 2.270 1.00 0.00 C ATOM 966 O ILE A 71 3.714 -11.448 3.145 1.00 0.00 O ATOM 967 CB ILE A 71 4.472 -11.462 0.359 1.00 0.00 C ATOM 968 CG1 ILE A 71 4.823 -11.015 -1.061 1.00 0.00 C ATOM 969 CG2 ILE A 71 4.094 -12.936 0.378 1.00 0.00 C ATOM 970 CD1 ILE A 71 6.202 -11.446 -1.507 1.00 0.00 C ATOM 0 H ILE A 71 4.195 -8.973 1.903 1.00 0.00 H new ATOM 0 HA ILE A 71 2.479 -10.646 0.230 1.00 0.00 H new ATOM 0 HB ILE A 71 5.350 -11.323 0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.084 -11.418 -1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.754 -9.929 -1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.917 -13.528 -0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.889 -13.246 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.205 -13.091 -0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.382 -11.094 -2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.950 -11.021 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.269 -12.534 -1.482 1.00 0.00 H new ATOM 982 N PRO A 72 1.575 -11.355 2.445 1.00 0.00 N ATOM 983 CA PRO A 72 1.008 -11.893 3.685 1.00 0.00 C ATOM 984 C PRO A 72 1.336 -13.369 3.880 1.00 0.00 C ATOM 985 O PRO A 72 1.875 -14.019 2.984 1.00 0.00 O ATOM 986 CB PRO A 72 -0.499 -11.700 3.498 1.00 0.00 C ATOM 987 CG PRO A 72 -0.699 -11.681 2.022 1.00 0.00 C ATOM 988 CD PRO A 72 0.538 -11.049 1.445 1.00 0.00 C ATOM 0 HA PRO A 72 1.410 -11.394 4.567 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.062 -12.509 3.963 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.839 -10.771 3.955 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.839 -12.690 1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.589 -11.111 1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.785 -11.467 0.469 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.415 -9.974 1.310 1.00 0.00 H new ATOM 996 N PHE A 73 1.007 -13.894 5.056 1.00 0.00 N ATOM 997 CA PHE A 73 1.268 -15.294 5.368 1.00 0.00 C ATOM 998 C PHE A 73 -0.023 -16.018 5.740 1.00 0.00 C ATOM 999 O PHE A 73 -0.064 -17.246 5.798 1.00 0.00 O ATOM 1000 CB PHE A 73 2.276 -15.404 6.514 1.00 0.00 C ATOM 1001 CG PHE A 73 3.654 -14.930 6.148 1.00 0.00 C ATOM 1002 CD1 PHE A 73 3.878 -13.607 5.804 1.00 0.00 C ATOM 1003 CD2 PHE A 73 4.725 -15.809 6.146 1.00 0.00 C ATOM 1004 CE1 PHE A 73 5.144 -13.168 5.467 1.00 0.00 C ATOM 1005 CE2 PHE A 73 5.994 -15.376 5.810 1.00 0.00 C ATOM 1006 CZ PHE A 73 6.203 -14.054 5.469 1.00 0.00 C ATOM 0 H PHE A 73 0.559 -13.371 5.808 1.00 0.00 H new ATOM 0 HA PHE A 73 1.686 -15.767 4.479 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.914 -14.823 7.363 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.332 -16.443 6.839 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.053 -12.910 5.799 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.567 -16.844 6.410 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.305 -12.133 5.202 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.821 -16.071 5.814 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.193 -13.714 5.204 1.00 0.00 H new ATOM 1016 N ALA A 74 -1.075 -15.246 5.993 1.00 0.00 N ATOM 1017 CA ALA A 74 -2.367 -15.812 6.359 1.00 0.00 C ATOM 1018 C ALA A 74 -3.510 -15.027 5.723 1.00 0.00 C ATOM 1019 O ALA A 74 -3.456 -13.804 5.590 1.00 0.00 O ATOM 1020 CB ALA A 74 -2.522 -15.841 7.872 1.00 0.00 C ATOM 0 H ALA A 74 -1.057 -14.227 5.951 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.408 -16.834 5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.492 -16.266 8.130 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.731 -16.451 8.307 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.455 -14.826 8.264 1.00 0.00 H new ATOM 1026 N PRO A 75 -4.569 -15.744 5.320 1.00 0.00 N ATOM 1027 CA PRO A 75 -5.745 -15.135 4.691 1.00 0.00 C ATOM 1028 C PRO A 75 -6.560 -14.300 5.673 1.00 0.00 C ATOM 1029 O PRO A 75 -6.788 -14.710 6.811 1.00 0.00 O ATOM 1030 CB PRO A 75 -6.556 -16.341 4.212 1.00 0.00 C ATOM 1031 CG PRO A 75 -6.145 -17.455 5.111 1.00 0.00 C ATOM 1032 CD PRO A 75 -4.701 -17.205 5.447 1.00 0.00 C ATOM 0 HA PRO A 75 -5.469 -14.446 3.893 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.627 -16.151 4.282 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.341 -16.574 3.169 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.758 -17.475 6.012 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.270 -18.420 4.619 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.458 -17.544 6.454 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.033 -17.730 4.764 1.00 0.00 H new ATOM 1040 N GLY A 76 -6.997 -13.127 5.226 1.00 0.00 N ATOM 1041 CA GLY A 76 -7.783 -12.254 6.078 1.00 0.00 C ATOM 1042 C GLY A 76 -7.806 -10.823 5.578 1.00 0.00 C ATOM 1043 O GLY A 76 -7.368 -10.541 4.463 1.00 0.00 O ATOM 0 H GLY A 76 -6.821 -12.765 4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.804 -12.632 6.137 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.376 -12.276 7.089 1.00 0.00 H new ATOM 1047 N ASP A 77 -8.321 -9.918 6.403 1.00 0.00 N ATOM 1048 CA ASP A 77 -8.400 -8.508 6.039 1.00 0.00 C ATOM 1049 C ASP A 77 -7.170 -7.750 6.527 1.00 0.00 C ATOM 1050 O ASP A 77 -6.802 -7.832 7.699 1.00 0.00 O ATOM 1051 CB ASP A 77 -9.667 -7.880 6.622 1.00 0.00 C ATOM 1052 CG ASP A 77 -10.802 -8.876 6.750 1.00 0.00 C ATOM 1053 OD1 ASP A 77 -10.670 -9.825 7.551 1.00 0.00 O ATOM 1054 OD2 ASP A 77 -11.822 -8.708 6.049 1.00 0.00 O ATOM 0 H ASP A 77 -8.690 -10.136 7.329 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.437 -8.440 4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.443 -7.461 7.603 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.984 -7.053 5.987 1.00 0.00 H new ATOM 1059 N TYR A 78 -6.536 -7.015 5.620 1.00 0.00 N ATOM 1060 CA TYR A 78 -5.345 -6.245 5.957 1.00 0.00 C ATOM 1061 C TYR A 78 -5.590 -4.751 5.770 1.00 0.00 C ATOM 1062 O TYR A 78 -6.461 -4.345 5.000 1.00 0.00 O ATOM 1063 CB TYR A 78 -4.163 -6.691 5.094 1.00 0.00 C ATOM 1064 CG TYR A 78 -3.636 -8.062 5.450 1.00 0.00 C ATOM 1065 CD1 TYR A 78 -4.430 -9.193 5.301 1.00 0.00 C ATOM 1066 CD2 TYR A 78 -2.345 -8.228 5.935 1.00 0.00 C ATOM 1067 CE1 TYR A 78 -3.953 -10.448 5.626 1.00 0.00 C ATOM 1068 CE2 TYR A 78 -1.859 -9.479 6.261 1.00 0.00 C ATOM 1069 CZ TYR A 78 -2.667 -10.586 6.105 1.00 0.00 C ATOM 1070 OH TYR A 78 -2.187 -11.834 6.430 1.00 0.00 O ATOM 0 H TYR A 78 -6.827 -6.936 4.646 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.111 -6.427 7.006 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.467 -6.689 4.047 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.357 -5.964 5.193 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.437 -9.089 4.925 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.710 -7.363 6.059 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.584 -11.316 5.506 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.852 -9.590 6.636 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.753 -12.520 6.017 1.00 0.00 H new ATOM 1080 N ASP A 79 -4.817 -3.938 6.481 1.00 0.00 N ATOM 1081 CA ASP A 79 -4.948 -2.488 6.394 1.00 0.00 C ATOM 1082 C ASP A 79 -3.622 -1.846 5.996 1.00 0.00 C ATOM 1083 O ASP A 79 -2.719 -1.702 6.820 1.00 0.00 O ATOM 1084 CB ASP A 79 -5.425 -1.917 7.730 1.00 0.00 C ATOM 1085 CG ASP A 79 -6.937 -1.914 7.851 1.00 0.00 C ATOM 1086 OD1 ASP A 79 -7.521 -3.008 7.996 1.00 0.00 O ATOM 1087 OD2 ASP A 79 -7.534 -0.819 7.800 1.00 0.00 O ATOM 0 H ASP A 79 -4.093 -4.258 7.124 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.687 -2.259 5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.999 -2.502 8.545 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.052 -0.899 7.841 1.00 0.00 H new ATOM 1092 N VAL A 80 -3.513 -1.462 4.728 1.00 0.00 N ATOM 1093 CA VAL A 80 -2.298 -0.835 4.221 1.00 0.00 C ATOM 1094 C VAL A 80 -2.184 0.608 4.700 1.00 0.00 C ATOM 1095 O VAL A 80 -2.899 1.489 4.226 1.00 0.00 O ATOM 1096 CB VAL A 80 -2.256 -0.858 2.682 1.00 0.00 C ATOM 1097 CG1 VAL A 80 -0.949 -0.268 2.175 1.00 0.00 C ATOM 1098 CG2 VAL A 80 -2.446 -2.276 2.165 1.00 0.00 C ATOM 0 H VAL A 80 -4.251 -1.574 4.033 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.458 -1.411 4.609 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.075 -0.245 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.937 -0.293 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.859 0.763 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.113 -0.852 2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.414 -2.273 1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.650 -2.913 2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.411 -2.659 2.498 1.00 0.00 H new ATOM 1108 N ASN A 81 -1.277 0.841 5.644 1.00 0.00 N ATOM 1109 CA ASN A 81 -1.068 2.178 6.189 1.00 0.00 C ATOM 1110 C ASN A 81 -0.022 2.938 5.379 1.00 0.00 C ATOM 1111 O ASN A 81 1.126 2.506 5.269 1.00 0.00 O ATOM 1112 CB ASN A 81 -0.633 2.093 7.653 1.00 0.00 C ATOM 1113 CG ASN A 81 -1.674 1.422 8.528 1.00 0.00 C ATOM 1114 OD1 ASN A 81 -2.391 2.085 9.278 1.00 0.00 O ATOM 1115 ND2 ASN A 81 -1.762 0.100 8.435 1.00 0.00 N ATOM 0 H ASN A 81 -0.676 0.122 6.047 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.012 2.719 6.129 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.304 1.540 7.719 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.438 3.097 8.030 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.444 -0.407 8.999 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.147 -0.409 7.800 1.00 0.00 H new ATOM 1122 N ILE A 82 -0.426 4.070 4.814 1.00 0.00 N ATOM 1123 CA ILE A 82 0.476 4.891 4.016 1.00 0.00 C ATOM 1124 C ILE A 82 0.465 6.340 4.489 1.00 0.00 C ATOM 1125 O ILE A 82 -0.545 7.036 4.371 1.00 0.00 O ATOM 1126 CB ILE A 82 0.105 4.846 2.522 1.00 0.00 C ATOM 1127 CG1 ILE A 82 0.088 3.401 2.021 1.00 0.00 C ATOM 1128 CG2 ILE A 82 1.081 5.684 1.709 1.00 0.00 C ATOM 1129 CD1 ILE A 82 -0.843 3.179 0.849 1.00 0.00 C ATOM 0 H ILE A 82 -1.373 4.440 4.894 1.00 0.00 H new ATOM 0 HA ILE A 82 1.476 4.478 4.146 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.894 5.264 2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.099 3.113 1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.208 2.745 2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.806 5.643 0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.047 6.718 2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.090 5.293 1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.804 2.133 0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.862 3.435 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.535 3.809 0.015 1.00 0.00 H new ATOM 1141 N THR A 83 1.595 6.792 5.023 1.00 0.00 N ATOM 1142 CA THR A 83 1.716 8.159 5.513 1.00 0.00 C ATOM 1143 C THR A 83 2.873 8.886 4.836 1.00 0.00 C ATOM 1144 O THR A 83 3.868 8.269 4.455 1.00 0.00 O ATOM 1145 CB THR A 83 1.926 8.193 7.038 1.00 0.00 C ATOM 1146 OG1 THR A 83 2.967 7.283 7.410 1.00 0.00 O ATOM 1147 CG2 THR A 83 0.643 7.829 7.770 1.00 0.00 C ATOM 0 H THR A 83 2.440 6.231 5.127 1.00 0.00 H new ATOM 0 HA THR A 83 0.781 8.665 5.271 1.00 0.00 H new ATOM 0 HB THR A 83 2.212 9.206 7.320 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.095 7.312 8.381 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.817 7.860 8.846 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.140 8.541 7.508 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.332 6.825 7.481 1.00 0.00 H new ATOM 1155 N TYR A 84 2.736 10.199 4.690 1.00 0.00 N ATOM 1156 CA TYR A 84 3.770 11.009 4.057 1.00 0.00 C ATOM 1157 C TYR A 84 4.334 12.035 5.036 1.00 0.00 C ATOM 1158 O TYR A 84 3.671 13.014 5.377 1.00 0.00 O ATOM 1159 CB TYR A 84 3.207 11.720 2.825 1.00 0.00 C ATOM 1160 CG TYR A 84 4.262 12.097 1.809 1.00 0.00 C ATOM 1161 CD1 TYR A 84 5.133 11.143 1.297 1.00 0.00 C ATOM 1162 CD2 TYR A 84 4.388 13.406 1.362 1.00 0.00 C ATOM 1163 CE1 TYR A 84 6.099 11.483 0.369 1.00 0.00 C ATOM 1164 CE2 TYR A 84 5.350 13.754 0.434 1.00 0.00 C ATOM 1165 CZ TYR A 84 6.203 12.789 -0.060 1.00 0.00 C ATOM 1166 OH TYR A 84 7.163 13.133 -0.984 1.00 0.00 O ATOM 0 H TYR A 84 1.919 10.725 5.001 1.00 0.00 H new ATOM 0 HA TYR A 84 4.578 10.345 3.748 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.470 11.074 2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.683 12.621 3.144 1.00 0.00 H new ATOM 0 HD1 TYR A 84 5.054 10.119 1.630 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.722 14.165 1.747 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.769 10.730 -0.018 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.434 14.777 0.097 1.00 0.00 H new ATOM 0 HH TYR A 84 6.802 13.809 -1.595 1.00 0.00 H new ATOM 1176 N GLY A 85 5.564 11.802 5.484 1.00 0.00 N ATOM 1177 CA GLY A 85 6.198 12.713 6.419 1.00 0.00 C ATOM 1178 C GLY A 85 5.648 12.577 7.825 1.00 0.00 C ATOM 1179 O GLY A 85 6.357 12.158 8.739 1.00 0.00 O ATOM 0 H GLY A 85 6.133 10.999 5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.272 12.526 6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.058 13.738 6.075 1.00 0.00 H new ATOM 1183 N GLY A 86 4.379 12.933 8.000 1.00 0.00 N ATOM 1184 CA GLY A 86 3.756 12.842 9.308 1.00 0.00 C ATOM 1185 C GLY A 86 2.245 12.928 9.237 1.00 0.00 C ATOM 1186 O GLY A 86 1.591 13.289 10.215 1.00 0.00 O ATOM 0 H GLY A 86 3.771 13.283 7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.042 11.901 9.778 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.133 13.643 9.943 1.00 0.00 H new ATOM 1190 N ALA A 87 1.688 12.596 8.077 1.00 0.00 N ATOM 1191 CA ALA A 87 0.244 12.637 7.883 1.00 0.00 C ATOM 1192 C ALA A 87 -0.236 11.436 7.075 1.00 0.00 C ATOM 1193 O ALA A 87 0.499 10.900 6.245 1.00 0.00 O ATOM 1194 CB ALA A 87 -0.160 13.933 7.196 1.00 0.00 C ATOM 0 H ALA A 87 2.215 12.296 7.257 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.230 12.595 8.863 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.241 13.950 7.058 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.140 14.780 7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.331 13.999 6.225 1.00 0.00 H new ATOM 1200 N HIS A 88 -1.473 11.017 7.324 1.00 0.00 N ATOM 1201 CA HIS A 88 -2.050 9.879 6.619 1.00 0.00 C ATOM 1202 C HIS A 88 -2.740 10.328 5.334 1.00 0.00 C ATOM 1203 O HIS A 88 -3.550 11.255 5.345 1.00 0.00 O ATOM 1204 CB HIS A 88 -3.047 9.148 7.518 1.00 0.00 C ATOM 1205 CG HIS A 88 -2.403 8.186 8.468 1.00 0.00 C ATOM 1206 ND1 HIS A 88 -2.307 6.833 8.220 1.00 0.00 N ATOM 1207 CD2 HIS A 88 -1.820 8.388 9.673 1.00 0.00 C ATOM 1208 CE1 HIS A 88 -1.693 6.244 9.231 1.00 0.00 C ATOM 1209 NE2 HIS A 88 -1.387 7.166 10.126 1.00 0.00 N ATOM 0 H HIS A 88 -2.094 11.449 8.008 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.241 9.198 6.357 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.616 9.882 8.088 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.759 8.608 6.894 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.715 9.334 10.183 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.478 5.189 9.312 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.907 6.998 11.010 1.00 0.00 H new ATOM 1218 N ILE A 89 -2.413 9.666 4.230 1.00 0.00 N ATOM 1219 CA ILE A 89 -3.002 9.997 2.938 1.00 0.00 C ATOM 1220 C ILE A 89 -4.487 9.652 2.906 1.00 0.00 C ATOM 1221 O ILE A 89 -4.952 8.738 3.587 1.00 0.00 O ATOM 1222 CB ILE A 89 -2.289 9.259 1.789 1.00 0.00 C ATOM 1223 CG1 ILE A 89 -2.542 7.754 1.886 1.00 0.00 C ATOM 1224 CG2 ILE A 89 -0.797 9.554 1.815 1.00 0.00 C ATOM 1225 CD1 ILE A 89 -2.311 7.017 0.585 1.00 0.00 C ATOM 0 H ILE A 89 -1.743 8.897 4.204 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.879 11.071 2.801 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.693 9.616 0.842 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.892 7.333 2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.569 7.587 2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.307 9.025 0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.636 10.626 1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.377 9.222 2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.509 5.955 0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.980 7.411 -0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.277 7.154 0.268 1.00 0.00 H new ATOM 1237 N PRO A 90 -5.250 10.398 2.094 1.00 0.00 N ATOM 1238 CA PRO A 90 -6.694 10.188 1.951 1.00 0.00 C ATOM 1239 C PRO A 90 -7.021 8.887 1.225 1.00 0.00 C ATOM 1240 O PRO A 90 -7.166 8.866 0.003 1.00 0.00 O ATOM 1241 CB PRO A 90 -7.147 11.392 1.121 1.00 0.00 C ATOM 1242 CG PRO A 90 -5.935 11.805 0.360 1.00 0.00 C ATOM 1243 CD PRO A 90 -4.763 11.504 1.252 1.00 0.00 C ATOM 0 HA PRO A 90 -7.192 10.107 2.917 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.964 11.126 0.450 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.508 12.199 1.759 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.860 11.259 -0.580 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.973 12.865 0.111 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.884 11.214 0.676 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.480 12.370 1.850 1.00 0.00 H new ATOM 1251 N GLY A 91 -7.138 7.803 1.986 1.00 0.00 N ATOM 1252 CA GLY A 91 -7.448 6.514 1.397 1.00 0.00 C ATOM 1253 C GLY A 91 -6.955 5.356 2.243 1.00 0.00 C ATOM 1254 O GLY A 91 -7.376 4.216 2.053 1.00 0.00 O ATOM 0 H GLY A 91 -7.024 7.795 3.000 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.526 6.429 1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.998 6.453 0.406 1.00 0.00 H new ATOM 1258 N SER A 92 -6.058 5.650 3.179 1.00 0.00 N ATOM 1259 CA SER A 92 -5.503 4.624 4.054 1.00 0.00 C ATOM 1260 C SER A 92 -6.110 4.714 5.451 1.00 0.00 C ATOM 1261 O SER A 92 -6.546 5.774 5.899 1.00 0.00 O ATOM 1262 CB SER A 92 -3.982 4.763 4.137 1.00 0.00 C ATOM 1263 OG SER A 92 -3.500 4.347 5.403 1.00 0.00 O ATOM 0 H SER A 92 -5.700 6.590 3.351 1.00 0.00 H new ATOM 0 HA SER A 92 -5.750 3.650 3.632 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.516 4.166 3.353 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.698 5.800 3.959 1.00 0.00 H new ATOM 0 HG SER A 92 -3.039 5.094 5.839 1.00 0.00 H new ATOM 1269 N PRO A 93 -6.141 3.573 6.156 1.00 0.00 N ATOM 1270 CA PRO A 93 -5.627 2.304 5.633 1.00 0.00 C ATOM 1271 C PRO A 93 -6.493 1.747 4.508 1.00 0.00 C ATOM 1272 O PRO A 93 -7.715 1.900 4.519 1.00 0.00 O ATOM 1273 CB PRO A 93 -5.668 1.376 6.849 1.00 0.00 C ATOM 1274 CG PRO A 93 -6.729 1.946 7.725 1.00 0.00 C ATOM 1275 CD PRO A 93 -6.682 3.435 7.519 1.00 0.00 C ATOM 0 HA PRO A 93 -4.634 2.415 5.198 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.903 0.352 6.558 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.705 1.349 7.359 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.708 1.547 7.462 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.551 1.691 8.770 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.671 3.884 7.606 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.044 3.923 8.256 1.00 0.00 H new ATOM 1283 N PHE A 94 -5.854 1.101 3.539 1.00 0.00 N ATOM 1284 CA PHE A 94 -6.567 0.521 2.407 1.00 0.00 C ATOM 1285 C PHE A 94 -6.870 -0.954 2.652 1.00 0.00 C ATOM 1286 O PHE A 94 -5.978 -1.801 2.588 1.00 0.00 O ATOM 1287 CB PHE A 94 -5.745 0.678 1.126 1.00 0.00 C ATOM 1288 CG PHE A 94 -5.654 2.098 0.642 1.00 0.00 C ATOM 1289 CD1 PHE A 94 -4.879 3.025 1.319 1.00 0.00 C ATOM 1290 CD2 PHE A 94 -6.344 2.504 -0.489 1.00 0.00 C ATOM 1291 CE1 PHE A 94 -4.795 4.332 0.877 1.00 0.00 C ATOM 1292 CE2 PHE A 94 -6.262 3.809 -0.936 1.00 0.00 C ATOM 1293 CZ PHE A 94 -5.486 4.724 -0.253 1.00 0.00 C ATOM 0 H PHE A 94 -4.843 0.966 3.515 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.511 1.053 2.293 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.739 0.297 1.300 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.187 0.063 0.342 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.335 2.723 2.202 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -6.953 1.793 -1.027 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.189 5.046 1.415 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.805 4.113 -1.819 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.419 5.744 -0.601 1.00 0.00 H new ATOM 1303 N ARG A 95 -8.133 -1.253 2.935 1.00 0.00 N ATOM 1304 CA ARG A 95 -8.554 -2.625 3.192 1.00 0.00 C ATOM 1305 C ARG A 95 -8.395 -3.486 1.943 1.00 0.00 C ATOM 1306 O ARG A 95 -8.894 -3.142 0.871 1.00 0.00 O ATOM 1307 CB ARG A 95 -10.010 -2.655 3.663 1.00 0.00 C ATOM 1308 CG ARG A 95 -10.336 -3.839 4.558 1.00 0.00 C ATOM 1309 CD ARG A 95 -10.139 -5.159 3.830 1.00 0.00 C ATOM 1310 NE ARG A 95 -10.773 -5.159 2.515 1.00 0.00 N ATOM 1311 CZ ARG A 95 -12.085 -5.259 2.331 1.00 0.00 C ATOM 1312 NH1 ARG A 95 -12.897 -5.367 3.374 1.00 0.00 N ATOM 1313 NH2 ARG A 95 -12.587 -5.251 1.103 1.00 0.00 N ATOM 0 H ARG A 95 -8.883 -0.564 2.992 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.917 -3.033 3.977 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.228 -1.733 4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.665 -2.678 2.792 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.701 -3.813 5.444 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.367 -3.763 4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.073 -5.356 3.718 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.551 -5.969 4.431 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.176 -5.078 1.692 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.515 -5.373 4.320 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.904 -5.444 3.231 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.965 -5.168 0.298 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.594 -5.328 0.963 1.00 0.00 H new ATOM 1327 N VAL A 96 -7.695 -4.607 2.088 1.00 0.00 N ATOM 1328 CA VAL A 96 -7.470 -5.518 0.972 1.00 0.00 C ATOM 1329 C VAL A 96 -7.758 -6.960 1.373 1.00 0.00 C ATOM 1330 O VAL A 96 -7.145 -7.510 2.288 1.00 0.00 O ATOM 1331 CB VAL A 96 -6.024 -5.420 0.451 1.00 0.00 C ATOM 1332 CG1 VAL A 96 -5.851 -6.261 -0.805 1.00 0.00 C ATOM 1333 CG2 VAL A 96 -5.650 -3.970 0.187 1.00 0.00 C ATOM 0 H VAL A 96 -7.274 -4.906 2.968 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.155 -5.222 0.178 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.353 -5.810 1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.823 -6.179 -1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.075 -7.303 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.530 -5.903 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.625 -3.920 -0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.324 -3.550 -0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.732 -3.399 1.112 1.00 0.00 H new ATOM 1343 N PRO A 97 -8.713 -7.590 0.672 1.00 0.00 N ATOM 1344 CA PRO A 97 -9.104 -8.978 0.936 1.00 0.00 C ATOM 1345 C PRO A 97 -8.018 -9.972 0.537 1.00 0.00 C ATOM 1346 O PRO A 97 -7.773 -10.195 -0.649 1.00 0.00 O ATOM 1347 CB PRO A 97 -10.349 -9.167 0.066 1.00 0.00 C ATOM 1348 CG PRO A 97 -10.196 -8.175 -1.035 1.00 0.00 C ATOM 1349 CD PRO A 97 -9.484 -6.995 -0.433 1.00 0.00 C ATOM 0 HA PRO A 97 -9.278 -9.158 1.997 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -10.410 -10.184 -0.323 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.261 -8.989 0.636 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.624 -8.595 -1.862 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.167 -7.883 -1.435 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -8.834 -6.505 -1.158 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.186 -6.242 -0.074 1.00 0.00 H new ATOM 1357 N VAL A 98 -7.371 -10.566 1.534 1.00 0.00 N ATOM 1358 CA VAL A 98 -6.312 -11.538 1.286 1.00 0.00 C ATOM 1359 C VAL A 98 -6.859 -12.961 1.296 1.00 0.00 C ATOM 1360 O VAL A 98 -7.108 -13.536 2.356 1.00 0.00 O ATOM 1361 CB VAL A 98 -5.190 -11.424 2.335 1.00 0.00 C ATOM 1362 CG1 VAL A 98 -4.119 -12.476 2.087 1.00 0.00 C ATOM 1363 CG2 VAL A 98 -4.589 -10.027 2.323 1.00 0.00 C ATOM 0 H VAL A 98 -7.561 -10.392 2.521 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.903 -11.316 0.300 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.619 -11.601 3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.334 -12.380 2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.563 -13.469 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.691 -12.333 1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.798 -9.965 3.070 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.174 -9.818 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.364 -9.296 2.553 1.00 0.00 H new ATOM 1373 N LYS A 99 -7.044 -13.526 0.107 1.00 0.00 N ATOM 1374 CA LYS A 99 -7.560 -14.883 -0.023 1.00 0.00 C ATOM 1375 C LYS A 99 -6.423 -15.899 -0.029 1.00 0.00 C ATOM 1376 O LYS A 99 -5.265 -15.548 -0.257 1.00 0.00 O ATOM 1377 CB LYS A 99 -8.384 -15.016 -1.306 1.00 0.00 C ATOM 1378 CG LYS A 99 -9.373 -13.882 -1.515 1.00 0.00 C ATOM 1379 CD LYS A 99 -9.819 -13.791 -2.965 1.00 0.00 C ATOM 1380 CE LYS A 99 -10.788 -14.908 -3.321 1.00 0.00 C ATOM 1381 NZ LYS A 99 -11.681 -14.528 -4.450 1.00 0.00 N ATOM 0 H LYS A 99 -6.844 -13.064 -0.780 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.200 -15.086 0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.707 -15.058 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.927 -15.961 -1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.242 -14.033 -0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.916 -12.939 -1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.294 -12.826 -3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.948 -13.841 -3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.227 -15.804 -3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.392 -15.157 -2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.326 -15.315 -4.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.235 -13.688 -4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.107 -14.315 -5.290 1.00 0.00 H new ATOM 1395 N ASP A 100 -6.761 -17.159 0.222 1.00 0.00 N ATOM 1396 CA ASP A 100 -5.768 -18.227 0.244 1.00 0.00 C ATOM 1397 C ASP A 100 -5.866 -19.085 -1.014 1.00 0.00 C ATOM 1398 O ASP A 100 -6.948 -19.540 -1.385 1.00 0.00 O ATOM 1399 CB ASP A 100 -5.952 -19.099 1.487 1.00 0.00 C ATOM 1400 CG ASP A 100 -7.411 -19.292 1.847 1.00 0.00 C ATOM 1401 OD1 ASP A 100 -8.227 -19.501 0.925 1.00 0.00 O ATOM 1402 OD2 ASP A 100 -7.738 -19.235 3.052 1.00 0.00 O ATOM 0 H ASP A 100 -7.715 -17.466 0.413 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.779 -17.770 0.275 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -5.491 -20.072 1.316 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -5.430 -18.642 2.328 1.00 0.00 H new ATOM 1407 N VAL A 101 -4.728 -19.302 -1.666 1.00 0.00 N ATOM 1408 CA VAL A 101 -4.685 -20.106 -2.882 1.00 0.00 C ATOM 1409 C VAL A 101 -5.533 -21.365 -2.739 1.00 0.00 C ATOM 1410 O VAL A 101 -6.325 -21.697 -3.621 1.00 0.00 O ATOM 1411 CB VAL A 101 -3.242 -20.510 -3.237 1.00 0.00 C ATOM 1412 CG1 VAL A 101 -3.227 -21.429 -4.449 1.00 0.00 C ATOM 1413 CG2 VAL A 101 -2.389 -19.275 -3.484 1.00 0.00 C ATOM 0 H VAL A 101 -3.824 -18.932 -1.373 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.089 -19.488 -3.684 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.818 -21.054 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.199 -21.704 -4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.802 -22.329 -4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.669 -20.914 -5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.372 -19.579 -3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.810 -18.702 -4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.373 -18.658 -2.585 1.00 0.00 H new ATOM 1423 N VAL A 102 -5.361 -22.063 -1.621 1.00 0.00 N ATOM 1424 CA VAL A 102 -6.112 -23.286 -1.360 1.00 0.00 C ATOM 1425 C VAL A 102 -6.311 -23.500 0.136 1.00 0.00 C ATOM 1426 O VAL A 102 -5.518 -23.031 0.952 1.00 0.00 O ATOM 1427 CB VAL A 102 -5.402 -24.517 -1.954 1.00 0.00 C ATOM 1428 CG1 VAL A 102 -4.024 -24.690 -1.334 1.00 0.00 C ATOM 1429 CG2 VAL A 102 -6.247 -25.766 -1.754 1.00 0.00 C ATOM 0 H VAL A 102 -4.708 -21.803 -0.881 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.084 -23.170 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 102 -5.274 -24.360 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -3.538 -25.565 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -3.421 -23.804 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.124 -24.825 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -5.731 -26.627 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.408 -25.930 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.209 -25.638 -2.251 1.00 0.00 H new ATOM 1439 N ASP A 103 -7.376 -24.212 0.489 1.00 0.00 N ATOM 1440 CA ASP A 103 -7.679 -24.491 1.888 1.00 0.00 C ATOM 1441 C ASP A 103 -7.298 -25.922 2.252 1.00 0.00 C ATOM 1442 O ASP A 103 -7.496 -26.860 1.479 1.00 0.00 O ATOM 1443 CB ASP A 103 -9.165 -24.260 2.165 1.00 0.00 C ATOM 1444 CG ASP A 103 -9.539 -22.791 2.132 1.00 0.00 C ATOM 1445 OD1 ASP A 103 -8.684 -21.954 2.488 1.00 0.00 O ATOM 1446 OD2 ASP A 103 -10.686 -22.479 1.750 1.00 0.00 O ATOM 0 H ASP A 103 -8.043 -24.606 -0.174 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.092 -23.810 2.504 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.757 -24.799 1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.418 -24.675 3.141 1.00 0.00 H new ATOM 1451 N PRO A 104 -6.736 -26.097 3.458 1.00 0.00 N ATOM 1452 CA PRO A 104 -6.314 -27.411 3.952 1.00 0.00 C ATOM 1453 C PRO A 104 -7.498 -28.321 4.263 1.00 0.00 C ATOM 1454 O PRO A 104 -8.429 -27.926 4.965 1.00 0.00 O ATOM 1455 CB PRO A 104 -5.545 -27.079 5.232 1.00 0.00 C ATOM 1456 CG PRO A 104 -6.106 -25.774 5.683 1.00 0.00 C ATOM 1457 CD PRO A 104 -6.470 -25.025 4.432 1.00 0.00 C ATOM 0 HA PRO A 104 -5.724 -27.954 3.213 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -5.683 -27.852 5.988 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -4.474 -27.005 5.043 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.980 -25.923 6.317 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -5.376 -25.218 6.272 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -7.345 -24.393 4.582 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -5.660 -24.375 4.103 1.00 0.00 H new ATOM 1465 N SER A 105 -7.456 -29.540 3.735 1.00 0.00 N ATOM 1466 CA SER A 105 -8.528 -30.505 3.954 1.00 0.00 C ATOM 1467 C SER A 105 -8.628 -30.879 5.429 1.00 0.00 C ATOM 1468 O SER A 105 -7.842 -30.415 6.253 1.00 0.00 O ATOM 1469 CB SER A 105 -8.291 -31.761 3.112 1.00 0.00 C ATOM 1470 OG SER A 105 -7.113 -32.434 3.521 1.00 0.00 O ATOM 0 H SER A 105 -6.692 -29.883 3.153 1.00 0.00 H new ATOM 0 HA SER A 105 -9.468 -30.044 3.650 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.146 -32.430 3.203 1.00 0.00 H new ATOM 0 HB3 SER A 105 -8.211 -31.488 2.060 1.00 0.00 H new ATOM 0 HG SER A 105 -6.985 -33.234 2.969 1.00 0.00 H new TER 1476 SER A 105