USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 942 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 21 GLN : amide:sc= -0.693 K(o=-0.64,f=-0.11) USER MOD Set 1.2: A 83 SER OG : rot -150:sc= 0.049 USER MOD Set 2.1: A 36 SER OG : rot -134:sc= 0.925 USER MOD Set 2.2: A 38 TYR OH : rot 137:sc= 0.175 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0934 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 23:sc= 1.21 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 160:sc= -2.06 (180deg=-2.88) USER MOD Single : A 15 GLN : amide:sc= -0.255 X(o=-0.25,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0315 X(o=-0.031,f=-0.35) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 24 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.43) USER MOD Single : A 25 THR OG1 : rot -84:sc= 0.331 USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0112) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= -0.0892 (180deg=-0.355) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= -2.2! USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot -43:sc= 0.00256 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 30:sc= -2.12 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 160:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.841 USER MOD Single : A 95 THR OG1 : rot -39:sc= 0.622 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.195 USER MOD Single : A 114 GLN : amide:sc= -0.715 K(o=-0.72,f=-4.5!) USER MOD Single : A 117 CYS SG : rot 23:sc= 0.117 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 23:sc= 0.962 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.324 29.645 15.397 1.00 0.00 N ATOM 2 CA GLY A 1 7.334 29.163 16.342 1.00 0.00 C ATOM 3 C GLY A 1 7.009 27.695 16.145 1.00 0.00 C ATOM 4 O GLY A 1 7.624 27.023 15.317 1.00 0.00 O ATOM 0 H1 GLY A 1 9.141 30.028 15.915 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.636 28.860 14.790 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.906 30.393 14.808 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.700 29.318 17.357 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.422 29.751 16.239 1.00 0.00 H new ATOM 8 N SER A 2 6.042 27.197 16.908 1.00 0.00 N ATOM 9 CA SER A 2 5.640 25.798 16.816 1.00 0.00 C ATOM 10 C SER A 2 4.124 25.661 16.908 1.00 0.00 C ATOM 11 O SER A 2 3.505 26.120 17.868 1.00 0.00 O ATOM 12 CB SER A 2 6.306 24.981 17.925 1.00 0.00 C ATOM 13 OG SER A 2 5.703 23.704 18.050 1.00 0.00 O ATOM 0 H SER A 2 5.522 27.741 17.597 1.00 0.00 H new ATOM 0 HA SER A 2 5.963 25.415 15.848 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.368 24.866 17.708 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.230 25.517 18.871 1.00 0.00 H new ATOM 0 HG SER A 2 6.147 23.201 18.764 1.00 0.00 H new ATOM 19 N SER A 3 3.531 25.025 15.902 1.00 0.00 N ATOM 20 CA SER A 3 2.086 24.830 15.866 1.00 0.00 C ATOM 21 C SER A 3 1.704 23.797 14.811 1.00 0.00 C ATOM 22 O SER A 3 2.266 23.773 13.717 1.00 0.00 O ATOM 23 CB SER A 3 1.379 26.156 15.579 1.00 0.00 C ATOM 24 OG SER A 3 1.866 26.746 14.386 1.00 0.00 O ATOM 0 H SER A 3 4.029 24.636 15.101 1.00 0.00 H new ATOM 0 HA SER A 3 1.769 24.461 16.841 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.305 25.988 15.493 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.529 26.840 16.414 1.00 0.00 H new ATOM 0 HG SER A 3 1.397 27.591 14.224 1.00 0.00 H new ATOM 30 N GLY A 4 0.742 22.944 15.148 1.00 0.00 N ATOM 31 CA GLY A 4 0.299 21.920 14.220 1.00 0.00 C ATOM 32 C GLY A 4 -0.211 20.679 14.926 1.00 0.00 C ATOM 33 O GLY A 4 -0.326 20.657 16.151 1.00 0.00 O ATOM 0 H GLY A 4 0.261 22.944 16.048 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.491 22.325 13.587 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.125 21.647 13.563 1.00 0.00 H new ATOM 37 N SER A 5 -0.518 19.643 14.151 1.00 0.00 N ATOM 38 CA SER A 5 -1.024 18.395 14.709 1.00 0.00 C ATOM 39 C SER A 5 0.118 17.539 15.248 1.00 0.00 C ATOM 40 O SER A 5 0.911 16.988 14.484 1.00 0.00 O ATOM 41 CB SER A 5 -1.802 17.616 13.647 1.00 0.00 C ATOM 42 OG SER A 5 -0.934 17.105 12.650 1.00 0.00 O ATOM 0 H SER A 5 -0.425 19.644 13.135 1.00 0.00 H new ATOM 0 HA SER A 5 -1.693 18.639 15.534 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.343 16.795 14.118 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.546 18.266 13.187 1.00 0.00 H new ATOM 0 HG SER A 5 -0.025 17.037 13.011 1.00 0.00 H new ATOM 48 N SER A 6 0.195 17.432 16.571 1.00 0.00 N ATOM 49 CA SER A 6 1.242 16.647 17.215 1.00 0.00 C ATOM 50 C SER A 6 0.656 15.741 18.293 1.00 0.00 C ATOM 51 O SER A 6 -0.302 16.106 18.973 1.00 0.00 O ATOM 52 CB SER A 6 2.298 17.569 17.826 1.00 0.00 C ATOM 53 OG SER A 6 1.818 18.179 19.012 1.00 0.00 O ATOM 0 H SER A 6 -0.455 17.879 17.218 1.00 0.00 H new ATOM 0 HA SER A 6 1.712 16.022 16.456 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.200 16.998 18.046 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.575 18.338 17.105 1.00 0.00 H new ATOM 0 HG SER A 6 2.512 18.762 19.384 1.00 0.00 H new ATOM 59 N GLY A 7 1.240 14.556 18.445 1.00 0.00 N ATOM 60 CA GLY A 7 0.763 13.616 19.442 1.00 0.00 C ATOM 61 C GLY A 7 1.226 12.198 19.170 1.00 0.00 C ATOM 62 O GLY A 7 1.362 11.793 18.016 1.00 0.00 O ATOM 0 H GLY A 7 2.035 14.231 17.895 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.113 13.927 20.427 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.326 13.641 19.468 1.00 0.00 H new ATOM 66 N MET A 8 1.470 11.442 20.235 1.00 0.00 N ATOM 67 CA MET A 8 1.920 10.062 20.105 1.00 0.00 C ATOM 68 C MET A 8 0.765 9.090 20.322 1.00 0.00 C ATOM 69 O MET A 8 0.902 8.097 21.035 1.00 0.00 O ATOM 70 CB MET A 8 3.040 9.772 21.106 1.00 0.00 C ATOM 71 CG MET A 8 3.832 8.515 20.785 1.00 0.00 C ATOM 72 SD MET A 8 5.193 8.824 19.643 1.00 0.00 S ATOM 73 CE MET A 8 6.312 7.497 20.082 1.00 0.00 C ATOM 0 H MET A 8 1.364 11.762 21.198 1.00 0.00 H new ATOM 0 HA MET A 8 2.302 9.925 19.093 1.00 0.00 H new ATOM 0 HB2 MET A 8 3.721 10.623 21.134 1.00 0.00 H new ATOM 0 HB3 MET A 8 2.609 9.676 22.103 1.00 0.00 H new ATOM 0 HG2 MET A 8 4.227 8.093 21.709 1.00 0.00 H new ATOM 0 HG3 MET A 8 3.164 7.769 20.354 1.00 0.00 H new ATOM 0 HE1 MET A 8 7.205 7.554 19.460 1.00 0.00 H new ATOM 0 HE2 MET A 8 6.594 7.591 21.131 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.819 6.538 19.923 1.00 0.00 H new ATOM 83 N GLY A 9 -0.374 9.383 19.701 1.00 0.00 N ATOM 84 CA GLY A 9 -1.537 8.526 19.840 1.00 0.00 C ATOM 85 C GLY A 9 -1.826 7.734 18.580 1.00 0.00 C ATOM 86 O GLY A 9 -2.166 8.306 17.544 1.00 0.00 O ATOM 0 H GLY A 9 -0.512 10.199 19.104 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.380 7.838 20.670 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.406 9.135 20.090 1.00 0.00 H new ATOM 90 N ASP A 10 -1.691 6.415 18.668 1.00 0.00 N ATOM 91 CA ASP A 10 -1.940 5.544 17.526 1.00 0.00 C ATOM 92 C ASP A 10 -3.432 5.268 17.368 1.00 0.00 C ATOM 93 O ASP A 10 -3.982 4.381 18.019 1.00 0.00 O ATOM 94 CB ASP A 10 -1.180 4.226 17.687 1.00 0.00 C ATOM 95 CG ASP A 10 0.301 4.373 17.395 1.00 0.00 C ATOM 96 OD1 ASP A 10 0.967 5.168 18.090 1.00 0.00 O ATOM 97 OD2 ASP A 10 0.793 3.691 16.472 1.00 0.00 O ATOM 0 H ASP A 10 -1.411 5.926 19.518 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.585 6.052 16.629 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -1.312 3.855 18.704 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.607 3.479 17.018 1.00 0.00 H new ATOM 102 N GLY A 11 -4.082 6.036 16.498 1.00 0.00 N ATOM 103 CA GLY A 11 -5.504 5.860 16.271 1.00 0.00 C ATOM 104 C GLY A 11 -5.806 5.288 14.900 1.00 0.00 C ATOM 105 O GLY A 11 -6.633 5.827 14.164 1.00 0.00 O ATOM 0 H GLY A 11 -3.649 6.777 15.947 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.912 5.198 17.035 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.008 6.821 16.380 1.00 0.00 H new ATOM 109 N ALA A 12 -5.134 4.195 14.555 1.00 0.00 N ATOM 110 CA ALA A 12 -5.335 3.551 13.263 1.00 0.00 C ATOM 111 C ALA A 12 -6.816 3.305 12.997 1.00 0.00 C ATOM 112 O ALA A 12 -7.476 2.570 13.732 1.00 0.00 O ATOM 113 CB ALA A 12 -4.561 2.242 13.200 1.00 0.00 C ATOM 0 H ALA A 12 -4.446 3.737 15.152 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.960 4.220 12.489 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.720 1.772 12.230 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.498 2.441 13.337 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.910 1.575 13.988 1.00 0.00 H new ATOM 119 N VAL A 13 -7.333 3.924 11.941 1.00 0.00 N ATOM 120 CA VAL A 13 -8.737 3.772 11.577 1.00 0.00 C ATOM 121 C VAL A 13 -9.203 2.334 11.773 1.00 0.00 C ATOM 122 O VAL A 13 -10.288 2.087 12.299 1.00 0.00 O ATOM 123 CB VAL A 13 -8.986 4.186 10.115 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.441 3.958 9.735 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.592 5.640 9.898 1.00 0.00 C ATOM 0 H VAL A 13 -6.801 4.536 11.322 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.307 4.428 12.235 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.365 3.565 9.470 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.597 4.256 8.698 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.686 2.902 9.849 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.084 4.552 10.384 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.775 5.915 8.859 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.185 6.279 10.552 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.534 5.768 10.127 1.00 0.00 H new ATOM 135 N LYS A 14 -8.375 1.386 11.346 1.00 0.00 N ATOM 136 CA LYS A 14 -8.699 -0.029 11.475 1.00 0.00 C ATOM 137 C LYS A 14 -7.457 -0.892 11.276 1.00 0.00 C ATOM 138 O LYS A 14 -6.850 -0.882 10.206 1.00 0.00 O ATOM 139 CB LYS A 14 -9.774 -0.422 10.459 1.00 0.00 C ATOM 140 CG LYS A 14 -10.066 -1.912 10.428 1.00 0.00 C ATOM 141 CD LYS A 14 -10.763 -2.317 9.140 1.00 0.00 C ATOM 142 CE LYS A 14 -10.556 -3.793 8.834 1.00 0.00 C ATOM 143 NZ LYS A 14 -11.672 -4.353 8.023 1.00 0.00 N ATOM 0 H LYS A 14 -7.473 1.573 10.907 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.080 -0.198 12.482 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.694 0.115 10.690 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.458 -0.101 9.466 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.134 -2.468 10.529 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.691 -2.179 11.280 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.830 -2.107 9.221 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.382 -1.716 8.314 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.616 -3.924 8.298 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.471 -4.349 9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.356 -5.226 7.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.479 -4.565 8.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.961 -3.659 7.304 1.00 0.00 H new ATOM 157 N GLN A 15 -7.088 -1.638 12.312 1.00 0.00 N ATOM 158 CA GLN A 15 -5.919 -2.507 12.249 1.00 0.00 C ATOM 159 C GLN A 15 -6.252 -3.905 12.760 1.00 0.00 C ATOM 160 O GLN A 15 -7.253 -4.104 13.446 1.00 0.00 O ATOM 161 CB GLN A 15 -4.770 -1.912 13.066 1.00 0.00 C ATOM 162 CG GLN A 15 -5.150 -1.585 14.501 1.00 0.00 C ATOM 163 CD GLN A 15 -3.942 -1.425 15.402 1.00 0.00 C ATOM 164 OE1 GLN A 15 -3.233 -2.390 15.688 1.00 0.00 O ATOM 165 NE2 GLN A 15 -3.700 -0.200 15.856 1.00 0.00 N ATOM 0 H GLN A 15 -7.581 -1.658 13.205 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.611 -2.585 11.206 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.937 -2.614 13.071 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.419 -1.004 12.576 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.735 -0.666 14.517 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.789 -2.376 14.893 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.314 0.572 15.594 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.901 -0.031 16.467 1.00 0.00 H new ATOM 174 N GLY A 16 -5.404 -4.871 12.421 1.00 0.00 N ATOM 175 CA GLY A 16 -5.626 -6.239 12.854 1.00 0.00 C ATOM 176 C GLY A 16 -4.435 -7.135 12.579 1.00 0.00 C ATOM 177 O GLY A 16 -3.331 -6.876 13.059 1.00 0.00 O ATOM 0 H GLY A 16 -4.567 -4.731 11.854 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.844 -6.248 13.922 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.503 -6.640 12.346 1.00 0.00 H new ATOM 181 N PHE A 17 -4.657 -8.192 11.806 1.00 0.00 N ATOM 182 CA PHE A 17 -3.594 -9.131 11.470 1.00 0.00 C ATOM 183 C PHE A 17 -3.681 -9.551 10.005 1.00 0.00 C ATOM 184 O PHE A 17 -4.717 -10.032 9.546 1.00 0.00 O ATOM 185 CB PHE A 17 -3.670 -10.365 12.371 1.00 0.00 C ATOM 186 CG PHE A 17 -3.903 -10.037 13.818 1.00 0.00 C ATOM 187 CD1 PHE A 17 -2.905 -9.449 14.578 1.00 0.00 C ATOM 188 CD2 PHE A 17 -5.120 -10.317 14.419 1.00 0.00 C ATOM 189 CE1 PHE A 17 -3.116 -9.146 15.910 1.00 0.00 C ATOM 190 CE2 PHE A 17 -5.337 -10.015 15.750 1.00 0.00 C ATOM 191 CZ PHE A 17 -4.334 -9.430 16.497 1.00 0.00 C ATOM 0 H PHE A 17 -5.565 -8.420 11.400 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.639 -8.631 11.630 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.473 -11.013 12.020 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.742 -10.930 12.279 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.951 -9.225 14.124 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.908 -10.776 13.841 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.330 -8.688 16.491 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.291 -10.237 16.206 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.501 -9.195 17.538 1.00 0.00 H new ATOM 201 N LEU A 18 -2.586 -9.365 9.277 1.00 0.00 N ATOM 202 CA LEU A 18 -2.537 -9.724 7.864 1.00 0.00 C ATOM 203 C LEU A 18 -1.409 -10.714 7.592 1.00 0.00 C ATOM 204 O LEU A 18 -0.437 -10.785 8.344 1.00 0.00 O ATOM 205 CB LEU A 18 -2.349 -8.471 7.006 1.00 0.00 C ATOM 206 CG LEU A 18 -3.603 -7.632 6.760 1.00 0.00 C ATOM 207 CD1 LEU A 18 -3.238 -6.298 6.126 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.589 -8.389 5.882 1.00 0.00 C ATOM 0 H LEU A 18 -1.720 -8.968 9.641 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.483 -10.199 7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.600 -7.838 7.482 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.943 -8.774 6.041 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.079 -7.436 7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.144 -5.715 5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.571 -5.749 6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.738 -6.473 5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.475 -7.776 5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.122 -8.616 4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.877 -9.318 6.375 1.00 0.00 H new ATOM 220 N TYR A 19 -1.545 -11.474 6.511 1.00 0.00 N ATOM 221 CA TYR A 19 -0.537 -12.461 6.139 1.00 0.00 C ATOM 222 C TYR A 19 0.135 -12.084 4.823 1.00 0.00 C ATOM 223 O TYR A 19 -0.535 -11.784 3.833 1.00 0.00 O ATOM 224 CB TYR A 19 -1.171 -13.848 6.022 1.00 0.00 C ATOM 225 CG TYR A 19 -2.186 -14.144 7.103 1.00 0.00 C ATOM 226 CD1 TYR A 19 -1.789 -14.361 8.417 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.543 -14.204 6.811 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.713 -14.632 9.407 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.475 -14.473 7.795 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.054 -14.686 9.091 1.00 0.00 C ATOM 231 OH TYR A 19 -4.978 -14.955 10.075 1.00 0.00 O ATOM 0 H TYR A 19 -2.343 -11.426 5.877 1.00 0.00 H new ATOM 0 HA TYR A 19 0.222 -12.480 6.921 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.653 -13.937 5.049 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.384 -14.602 6.058 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.740 -14.317 8.668 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.875 -14.037 5.797 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.387 -14.801 10.423 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.526 -14.516 7.551 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.878 -14.956 9.687 1.00 0.00 H new ATOM 241 N LEU A 20 1.463 -12.102 4.818 1.00 0.00 N ATOM 242 CA LEU A 20 2.229 -11.762 3.624 1.00 0.00 C ATOM 243 C LEU A 20 3.143 -12.914 3.217 1.00 0.00 C ATOM 244 O LEU A 20 3.982 -13.358 4.000 1.00 0.00 O ATOM 245 CB LEU A 20 3.058 -10.500 3.867 1.00 0.00 C ATOM 246 CG LEU A 20 4.161 -10.215 2.847 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.590 -10.184 1.438 1.00 0.00 C ATOM 248 CD2 LEU A 20 4.860 -8.902 3.170 1.00 0.00 C ATOM 0 H LEU A 20 2.032 -12.349 5.628 1.00 0.00 H new ATOM 0 HA LEU A 20 1.526 -11.576 2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.383 -9.645 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.514 -10.573 4.854 1.00 0.00 H new ATOM 0 HG LEU A 20 4.896 -11.018 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.390 -9.980 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.136 -11.148 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.834 -9.402 1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.642 -8.715 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.135 -8.088 3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.304 -8.961 4.164 1.00 0.00 H new ATOM 260 N GLN A 21 2.974 -13.391 1.988 1.00 0.00 N ATOM 261 CA GLN A 21 3.785 -14.490 1.478 1.00 0.00 C ATOM 262 C GLN A 21 5.196 -14.017 1.147 1.00 0.00 C ATOM 263 O GLN A 21 5.382 -12.943 0.576 1.00 0.00 O ATOM 264 CB GLN A 21 3.133 -15.098 0.235 1.00 0.00 C ATOM 265 CG GLN A 21 3.511 -16.552 -0.001 1.00 0.00 C ATOM 266 CD GLN A 21 2.819 -17.145 -1.213 1.00 0.00 C ATOM 267 OE1 GLN A 21 3.435 -17.334 -2.263 1.00 0.00 O ATOM 268 NE2 GLN A 21 1.533 -17.444 -1.073 1.00 0.00 N ATOM 0 H GLN A 21 2.283 -13.034 1.328 1.00 0.00 H new ATOM 0 HA GLN A 21 3.850 -15.252 2.255 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.050 -15.024 0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.417 -14.511 -0.638 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.591 -16.626 -0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.255 -17.138 0.882 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.063 -17.270 -0.185 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.015 -17.847 -1.854 1.00 0.00 H new ATOM 277 N GLN A 22 6.186 -14.826 1.510 1.00 0.00 N ATOM 278 CA GLN A 22 7.581 -14.489 1.252 1.00 0.00 C ATOM 279 C GLN A 22 8.196 -15.451 0.241 1.00 0.00 C ATOM 280 O GLN A 22 8.561 -16.575 0.583 1.00 0.00 O ATOM 281 CB GLN A 22 8.384 -14.518 2.554 1.00 0.00 C ATOM 282 CG GLN A 22 7.944 -13.469 3.563 1.00 0.00 C ATOM 283 CD GLN A 22 8.711 -13.557 4.868 1.00 0.00 C ATOM 284 OE1 GLN A 22 9.907 -13.849 4.880 1.00 0.00 O ATOM 285 NE2 GLN A 22 8.025 -13.303 5.976 1.00 0.00 N ATOM 0 H GLN A 22 6.048 -15.719 1.983 1.00 0.00 H new ATOM 0 HA GLN A 22 7.614 -13.482 0.835 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.293 -15.506 3.006 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.439 -14.369 2.324 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.079 -12.477 3.132 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.879 -13.587 3.763 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.035 -13.065 5.919 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.488 -13.346 6.884 1.00 0.00 H new ATOM 294 N GLN A 23 8.307 -15.000 -1.005 1.00 0.00 N ATOM 295 CA GLN A 23 8.877 -15.823 -2.066 1.00 0.00 C ATOM 296 C GLN A 23 10.369 -15.550 -2.224 1.00 0.00 C ATOM 297 O GLN A 23 11.139 -16.445 -2.570 1.00 0.00 O ATOM 298 CB GLN A 23 8.155 -15.558 -3.388 1.00 0.00 C ATOM 299 CG GLN A 23 8.727 -16.339 -4.560 1.00 0.00 C ATOM 300 CD GLN A 23 8.169 -17.745 -4.653 1.00 0.00 C ATOM 301 OE1 GLN A 23 7.609 -18.268 -3.689 1.00 0.00 O ATOM 302 NE2 GLN A 23 8.319 -18.366 -5.817 1.00 0.00 N ATOM 0 H GLN A 23 8.010 -14.071 -1.304 1.00 0.00 H new ATOM 0 HA GLN A 23 8.745 -16.870 -1.791 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.101 -15.810 -3.274 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.205 -14.493 -3.613 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.513 -15.805 -5.486 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.812 -16.388 -4.464 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.790 -17.895 -6.590 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.964 -19.314 -5.939 1.00 0.00 H new ATOM 311 N GLN A 24 10.769 -14.308 -1.969 1.00 0.00 N ATOM 312 CA GLN A 24 12.169 -13.918 -2.085 1.00 0.00 C ATOM 313 C GLN A 24 13.081 -14.972 -1.466 1.00 0.00 C ATOM 314 O GLN A 24 13.827 -15.654 -2.169 1.00 0.00 O ATOM 315 CB GLN A 24 12.401 -12.565 -1.409 1.00 0.00 C ATOM 316 CG GLN A 24 13.780 -11.982 -1.673 1.00 0.00 C ATOM 317 CD GLN A 24 14.256 -12.228 -3.091 1.00 0.00 C ATOM 318 OE1 GLN A 24 14.074 -11.389 -3.973 1.00 0.00 O ATOM 319 NE2 GLN A 24 14.871 -13.383 -3.317 1.00 0.00 N ATOM 0 H GLN A 24 10.144 -13.555 -1.681 1.00 0.00 H new ATOM 0 HA GLN A 24 12.410 -13.833 -3.145 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.645 -11.860 -1.756 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.263 -12.677 -0.334 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.759 -10.909 -1.482 1.00 0.00 H new ATOM 0 HG3 GLN A 24 14.494 -12.417 -0.974 1.00 0.00 H new ATOM 0 HE21 GLN A 24 15.000 -14.049 -2.556 1.00 0.00 H new ATOM 0 HE22 GLN A 24 15.214 -13.604 -4.252 1.00 0.00 H new ATOM 328 N THR A 25 13.016 -15.101 -0.144 1.00 0.00 N ATOM 329 CA THR A 25 13.837 -16.070 0.571 1.00 0.00 C ATOM 330 C THR A 25 13.445 -17.497 0.206 1.00 0.00 C ATOM 331 O THR A 25 12.328 -17.748 -0.249 1.00 0.00 O ATOM 332 CB THR A 25 13.718 -15.891 2.096 1.00 0.00 C ATOM 333 OG1 THR A 25 14.667 -16.731 2.763 1.00 0.00 O ATOM 334 CG2 THR A 25 12.313 -16.228 2.572 1.00 0.00 C ATOM 0 H THR A 25 12.403 -14.546 0.453 1.00 0.00 H new ATOM 0 HA THR A 25 14.870 -15.892 0.272 1.00 0.00 H new ATOM 0 HB THR A 25 13.925 -14.848 2.335 1.00 0.00 H new ATOM 0 HG1 THR A 25 14.293 -17.631 2.864 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.253 -16.094 3.652 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.596 -15.568 2.084 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.082 -17.263 2.321 1.00 0.00 H new ATOM 342 N PHE A 26 14.369 -18.430 0.408 1.00 0.00 N ATOM 343 CA PHE A 26 14.119 -19.834 0.100 1.00 0.00 C ATOM 344 C PHE A 26 12.746 -20.265 0.605 1.00 0.00 C ATOM 345 O PHE A 26 12.252 -19.753 1.608 1.00 0.00 O ATOM 346 CB PHE A 26 15.204 -20.715 0.722 1.00 0.00 C ATOM 347 CG PHE A 26 15.141 -20.775 2.222 1.00 0.00 C ATOM 348 CD1 PHE A 26 15.580 -19.709 2.990 1.00 0.00 C ATOM 349 CD2 PHE A 26 14.643 -21.898 2.863 1.00 0.00 C ATOM 350 CE1 PHE A 26 15.523 -19.761 4.370 1.00 0.00 C ATOM 351 CE2 PHE A 26 14.583 -21.955 4.242 1.00 0.00 C ATOM 352 CZ PHE A 26 15.025 -20.886 4.997 1.00 0.00 C ATOM 0 H PHE A 26 15.298 -18.240 0.784 1.00 0.00 H new ATOM 0 HA PHE A 26 14.141 -19.953 -0.983 1.00 0.00 H new ATOM 0 HB2 PHE A 26 15.114 -21.725 0.322 1.00 0.00 H new ATOM 0 HB3 PHE A 26 16.182 -20.339 0.422 1.00 0.00 H new ATOM 0 HD1 PHE A 26 15.971 -18.827 2.505 1.00 0.00 H new ATOM 0 HD2 PHE A 26 14.298 -22.738 2.278 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.868 -18.923 4.957 1.00 0.00 H new ATOM 0 HE2 PHE A 26 14.191 -22.835 4.730 1.00 0.00 H new ATOM 0 HZ PHE A 26 14.981 -20.930 6.075 1.00 0.00 H new ATOM 362 N GLY A 27 12.133 -21.213 -0.099 1.00 0.00 N ATOM 363 CA GLY A 27 10.823 -21.697 0.291 1.00 0.00 C ATOM 364 C GLY A 27 9.795 -20.586 0.376 1.00 0.00 C ATOM 365 O GLY A 27 10.102 -19.425 0.107 1.00 0.00 O ATOM 0 H GLY A 27 12.522 -21.654 -0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.487 -22.444 -0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.896 -22.195 1.258 1.00 0.00 H new ATOM 369 N LYS A 28 8.570 -20.942 0.749 1.00 0.00 N ATOM 370 CA LYS A 28 7.493 -19.968 0.868 1.00 0.00 C ATOM 371 C LYS A 28 6.469 -20.412 1.908 1.00 0.00 C ATOM 372 O LYS A 28 5.867 -21.479 1.786 1.00 0.00 O ATOM 373 CB LYS A 28 6.806 -19.768 -0.485 1.00 0.00 C ATOM 374 CG LYS A 28 6.586 -21.060 -1.252 1.00 0.00 C ATOM 375 CD LYS A 28 7.809 -21.437 -2.073 1.00 0.00 C ATOM 376 CE LYS A 28 7.516 -22.599 -3.009 1.00 0.00 C ATOM 377 NZ LYS A 28 7.193 -23.846 -2.262 1.00 0.00 N ATOM 0 H LYS A 28 8.299 -21.899 0.974 1.00 0.00 H new ATOM 0 HA LYS A 28 7.928 -19.022 1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.844 -19.281 -0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.408 -19.093 -1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.354 -21.864 -0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.724 -20.951 -1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.139 -20.575 -2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.628 -21.704 -1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.681 -22.339 -3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.379 -22.774 -3.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.050 -24.626 -2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.978 -24.081 -1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.325 -23.703 -1.707 1.00 0.00 H new ATOM 391 N LYS A 29 6.277 -19.587 2.932 1.00 0.00 N ATOM 392 CA LYS A 29 5.324 -19.893 3.993 1.00 0.00 C ATOM 393 C LYS A 29 4.549 -18.645 4.404 1.00 0.00 C ATOM 394 O LYS A 29 5.057 -17.528 4.310 1.00 0.00 O ATOM 395 CB LYS A 29 6.051 -20.477 5.206 1.00 0.00 C ATOM 396 CG LYS A 29 7.377 -19.798 5.506 1.00 0.00 C ATOM 397 CD LYS A 29 7.193 -18.594 6.413 1.00 0.00 C ATOM 398 CE LYS A 29 8.512 -17.879 6.664 1.00 0.00 C ATOM 399 NZ LYS A 29 9.578 -18.820 7.104 1.00 0.00 N ATOM 0 H LYS A 29 6.769 -18.701 3.050 1.00 0.00 H new ATOM 0 HA LYS A 29 4.617 -20.629 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.405 -20.396 6.080 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.226 -21.539 5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.053 -20.511 5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.845 -19.484 4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.483 -17.902 5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.765 -18.915 7.363 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.829 -17.372 5.753 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.370 -17.111 7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.387 -18.280 7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.206 -19.441 7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.887 -19.397 6.296 1.00 0.00 H new ATOM 413 N TRP A 30 3.318 -18.844 4.861 1.00 0.00 N ATOM 414 CA TRP A 30 2.473 -17.734 5.288 1.00 0.00 C ATOM 415 C TRP A 30 2.877 -17.245 6.674 1.00 0.00 C ATOM 416 O TRP A 30 2.993 -18.035 7.611 1.00 0.00 O ATOM 417 CB TRP A 30 1.003 -18.157 5.290 1.00 0.00 C ATOM 418 CG TRP A 30 0.367 -18.104 3.934 1.00 0.00 C ATOM 419 CD1 TRP A 30 -0.123 -19.158 3.217 1.00 0.00 C ATOM 420 CD2 TRP A 30 0.155 -16.937 3.132 1.00 0.00 C ATOM 421 NE1 TRP A 30 -0.627 -18.717 2.017 1.00 0.00 N ATOM 422 CE2 TRP A 30 -0.469 -17.358 1.942 1.00 0.00 C ATOM 423 CE3 TRP A 30 0.429 -15.578 3.305 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -0.821 -16.467 0.931 1.00 0.00 C ATOM 425 CZ3 TRP A 30 0.079 -14.695 2.301 1.00 0.00 C ATOM 426 CH2 TRP A 30 -0.541 -15.142 1.126 1.00 0.00 C ATOM 0 H TRP A 30 2.883 -19.763 4.945 1.00 0.00 H new ATOM 0 HA TRP A 30 2.606 -16.915 4.582 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.925 -19.172 5.680 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.447 -17.511 5.969 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.116 -20.187 3.545 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.050 -19.305 1.299 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.906 -15.224 4.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.298 -16.810 0.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.287 -13.642 2.424 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -0.803 -14.427 0.360 1.00 0.00 H new ATOM 437 N ARG A 31 3.088 -15.939 6.798 1.00 0.00 N ATOM 438 CA ARG A 31 3.480 -15.346 8.071 1.00 0.00 C ATOM 439 C ARG A 31 2.527 -14.220 8.462 1.00 0.00 C ATOM 440 O ARG A 31 2.120 -13.418 7.621 1.00 0.00 O ATOM 441 CB ARG A 31 4.911 -14.812 7.990 1.00 0.00 C ATOM 442 CG ARG A 31 5.612 -14.740 9.337 1.00 0.00 C ATOM 443 CD ARG A 31 6.303 -16.052 9.675 1.00 0.00 C ATOM 444 NE ARG A 31 5.424 -16.961 10.406 1.00 0.00 N ATOM 445 CZ ARG A 31 5.814 -18.139 10.879 1.00 0.00 C ATOM 446 NH1 ARG A 31 7.062 -18.549 10.698 1.00 0.00 N ATOM 447 NH2 ARG A 31 4.956 -18.910 11.534 1.00 0.00 N ATOM 0 H ARG A 31 2.994 -15.271 6.033 1.00 0.00 H new ATOM 0 HA ARG A 31 3.432 -16.122 8.835 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.490 -15.450 7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.894 -13.817 7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.345 -13.934 9.324 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.886 -14.499 10.114 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.638 -16.533 8.756 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.193 -15.850 10.272 1.00 0.00 H new ATOM 0 HE ARG A 31 4.457 -16.675 10.562 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.725 -17.959 10.195 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.359 -19.454 11.062 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.995 -18.598 11.675 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.257 -19.815 11.897 1.00 0.00 H new ATOM 461 N ARG A 32 2.176 -14.167 9.742 1.00 0.00 N ATOM 462 CA ARG A 32 1.270 -13.141 10.244 1.00 0.00 C ATOM 463 C ARG A 32 2.037 -11.881 10.633 1.00 0.00 C ATOM 464 O ARG A 32 3.118 -11.956 11.218 1.00 0.00 O ATOM 465 CB ARG A 32 0.487 -13.667 11.449 1.00 0.00 C ATOM 466 CG ARG A 32 -0.292 -12.590 12.187 1.00 0.00 C ATOM 467 CD ARG A 32 -1.055 -13.165 13.369 1.00 0.00 C ATOM 468 NE ARG A 32 -0.201 -13.334 14.542 1.00 0.00 N ATOM 469 CZ ARG A 32 -0.669 -13.493 15.775 1.00 0.00 C ATOM 470 NH1 ARG A 32 -1.977 -13.507 15.994 1.00 0.00 N ATOM 471 NH2 ARG A 32 0.171 -13.640 16.791 1.00 0.00 N ATOM 0 H ARG A 32 2.505 -14.823 10.451 1.00 0.00 H new ATOM 0 HA ARG A 32 0.571 -12.888 9.447 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.206 -14.438 11.113 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.181 -14.142 12.143 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.394 -11.818 12.536 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.990 -12.110 11.501 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.887 -12.507 13.618 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.483 -14.128 13.090 1.00 0.00 H new ATOM 0 HE ARG A 32 0.810 -13.330 14.407 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.626 -13.396 15.215 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.334 -13.629 16.942 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.178 -13.631 16.626 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.190 -13.762 17.737 1.00 0.00 H new ATOM 485 N PHE A 33 1.472 -10.725 10.304 1.00 0.00 N ATOM 486 CA PHE A 33 2.103 -9.448 10.617 1.00 0.00 C ATOM 487 C PHE A 33 1.056 -8.396 10.970 1.00 0.00 C ATOM 488 O PHE A 33 0.067 -8.225 10.259 1.00 0.00 O ATOM 489 CB PHE A 33 2.946 -8.968 9.434 1.00 0.00 C ATOM 490 CG PHE A 33 4.000 -9.951 9.011 1.00 0.00 C ATOM 491 CD1 PHE A 33 4.995 -10.342 9.892 1.00 0.00 C ATOM 492 CD2 PHE A 33 3.997 -10.482 7.731 1.00 0.00 C ATOM 493 CE1 PHE A 33 5.966 -11.247 9.507 1.00 0.00 C ATOM 494 CE2 PHE A 33 4.965 -11.387 7.340 1.00 0.00 C ATOM 495 CZ PHE A 33 5.952 -11.769 8.228 1.00 0.00 C ATOM 0 H PHE A 33 0.578 -10.646 9.820 1.00 0.00 H new ATOM 0 HA PHE A 33 2.752 -9.594 11.481 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.289 -8.766 8.588 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.425 -8.025 9.698 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.012 -9.935 10.892 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.230 -10.185 7.031 1.00 0.00 H new ATOM 0 HE1 PHE A 33 6.734 -11.546 10.205 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.950 -11.796 6.340 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.711 -12.474 7.923 1.00 0.00 H new ATOM 505 N GLY A 34 1.283 -7.692 12.075 1.00 0.00 N ATOM 506 CA GLY A 34 0.351 -6.665 12.505 1.00 0.00 C ATOM 507 C GLY A 34 0.295 -5.494 11.545 1.00 0.00 C ATOM 508 O GLY A 34 1.213 -4.675 11.500 1.00 0.00 O ATOM 0 H GLY A 34 2.095 -7.814 12.680 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.644 -7.099 12.602 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.640 -6.307 13.493 1.00 0.00 H new ATOM 512 N ALA A 35 -0.784 -5.415 10.773 1.00 0.00 N ATOM 513 CA ALA A 35 -0.956 -4.335 9.809 1.00 0.00 C ATOM 514 C ALA A 35 -1.791 -3.202 10.396 1.00 0.00 C ATOM 515 O ALA A 35 -2.914 -3.418 10.852 1.00 0.00 O ATOM 516 CB ALA A 35 -1.599 -4.862 8.535 1.00 0.00 C ATOM 0 H ALA A 35 -1.552 -6.086 10.796 1.00 0.00 H new ATOM 0 HA ALA A 35 0.030 -3.937 9.568 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.721 -4.045 7.824 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.963 -5.631 8.097 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.574 -5.288 8.769 1.00 0.00 H new ATOM 522 N SER A 36 -1.235 -1.995 10.383 1.00 0.00 N ATOM 523 CA SER A 36 -1.927 -0.829 10.919 1.00 0.00 C ATOM 524 C SER A 36 -2.392 0.092 9.794 1.00 0.00 C ATOM 525 O SER A 36 -1.644 0.372 8.857 1.00 0.00 O ATOM 526 CB SER A 36 -1.013 -0.062 11.876 1.00 0.00 C ATOM 527 OG SER A 36 -1.767 0.631 12.856 1.00 0.00 O ATOM 0 H SER A 36 -0.307 -1.799 10.007 1.00 0.00 H new ATOM 0 HA SER A 36 -2.803 -1.177 11.466 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.328 -0.755 12.363 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.404 0.646 11.313 1.00 0.00 H new ATOM 0 HG SER A 36 -1.431 1.548 12.940 1.00 0.00 H new ATOM 533 N LEU A 37 -3.632 0.558 9.894 1.00 0.00 N ATOM 534 CA LEU A 37 -4.198 1.447 8.886 1.00 0.00 C ATOM 535 C LEU A 37 -4.335 2.867 9.427 1.00 0.00 C ATOM 536 O LEU A 37 -5.190 3.141 10.269 1.00 0.00 O ATOM 537 CB LEU A 37 -5.563 0.929 8.430 1.00 0.00 C ATOM 538 CG LEU A 37 -6.175 1.629 7.216 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.366 1.330 5.963 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.625 1.205 7.030 1.00 0.00 C ATOM 0 H LEU A 37 -4.264 0.335 10.663 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.520 1.467 8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.469 -0.133 8.203 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.259 1.016 9.264 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.151 2.705 7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.817 1.837 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.344 1.684 6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.357 0.255 5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.044 1.713 6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.672 0.127 6.877 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.199 1.471 7.918 1.00 0.00 H new ATOM 552 N TYR A 38 -3.488 3.765 8.936 1.00 0.00 N ATOM 553 CA TYR A 38 -3.515 5.157 9.370 1.00 0.00 C ATOM 554 C TYR A 38 -4.170 6.044 8.316 1.00 0.00 C ATOM 555 O TYR A 38 -4.230 5.690 7.140 1.00 0.00 O ATOM 556 CB TYR A 38 -2.095 5.650 9.657 1.00 0.00 C ATOM 557 CG TYR A 38 -1.336 4.778 10.632 1.00 0.00 C ATOM 558 CD1 TYR A 38 -1.614 4.819 11.993 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.342 3.914 10.192 1.00 0.00 C ATOM 560 CE1 TYR A 38 -0.923 4.024 12.887 1.00 0.00 C ATOM 561 CE2 TYR A 38 0.353 3.114 11.078 1.00 0.00 C ATOM 562 CZ TYR A 38 0.060 3.173 12.425 1.00 0.00 C ATOM 563 OH TYR A 38 0.751 2.379 13.311 1.00 0.00 O ATOM 0 H TYR A 38 -2.775 3.554 8.238 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.105 5.215 10.285 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.541 5.700 8.720 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.145 6.664 10.053 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.383 5.484 12.358 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.108 3.867 9.139 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.151 4.068 13.942 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.122 2.446 10.718 1.00 0.00 H new ATOM 0 HH TYR A 38 0.840 1.476 12.940 1.00 0.00 H new ATOM 573 N GLY A 39 -4.660 7.202 8.749 1.00 0.00 N ATOM 574 CA GLY A 39 -5.305 8.124 7.832 1.00 0.00 C ATOM 575 C GLY A 39 -6.783 8.293 8.123 1.00 0.00 C ATOM 576 O GLY A 39 -7.226 8.096 9.253 1.00 0.00 O ATOM 0 H GLY A 39 -4.622 7.518 9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.813 9.095 7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.178 7.764 6.811 1.00 0.00 H new ATOM 580 N GLY A 40 -7.548 8.661 7.099 1.00 0.00 N ATOM 581 CA GLY A 40 -8.976 8.852 7.272 1.00 0.00 C ATOM 582 C GLY A 40 -9.619 9.526 6.076 1.00 0.00 C ATOM 583 O GLY A 40 -10.280 8.874 5.268 1.00 0.00 O ATOM 0 H GLY A 40 -7.204 8.830 6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.451 7.885 7.440 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.154 9.454 8.163 1.00 0.00 H new ATOM 587 N SER A 41 -9.427 10.837 5.962 1.00 0.00 N ATOM 588 CA SER A 41 -9.998 11.600 4.859 1.00 0.00 C ATOM 589 C SER A 41 -9.072 12.743 4.453 1.00 0.00 C ATOM 590 O SER A 41 -8.406 13.346 5.295 1.00 0.00 O ATOM 591 CB SER A 41 -11.369 12.154 5.251 1.00 0.00 C ATOM 592 OG SER A 41 -12.063 12.646 4.118 1.00 0.00 O ATOM 0 H SER A 41 -8.880 11.392 6.620 1.00 0.00 H new ATOM 0 HA SER A 41 -10.115 10.930 4.007 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.957 11.372 5.730 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.246 12.953 5.982 1.00 0.00 H new ATOM 0 HG SER A 41 -12.937 12.993 4.395 1.00 0.00 H new ATOM 598 N ASP A 42 -9.037 13.036 3.158 1.00 0.00 N ATOM 599 CA ASP A 42 -8.194 14.107 2.639 1.00 0.00 C ATOM 600 C ASP A 42 -6.831 14.107 3.324 1.00 0.00 C ATOM 601 O ASP A 42 -6.210 15.157 3.491 1.00 0.00 O ATOM 602 CB ASP A 42 -8.877 15.461 2.834 1.00 0.00 C ATOM 603 CG ASP A 42 -10.113 15.616 1.970 1.00 0.00 C ATOM 604 OD1 ASP A 42 -10.070 15.204 0.792 1.00 0.00 O ATOM 605 OD2 ASP A 42 -11.125 16.148 2.473 1.00 0.00 O ATOM 0 H ASP A 42 -9.582 12.547 2.448 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.044 13.934 1.573 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -9.153 15.578 3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.171 16.258 2.600 1.00 0.00 H new ATOM 610 N CYS A 43 -6.373 12.924 3.718 1.00 0.00 N ATOM 611 CA CYS A 43 -5.084 12.787 4.387 1.00 0.00 C ATOM 612 C CYS A 43 -4.015 12.302 3.413 1.00 0.00 C ATOM 613 O CYS A 43 -4.293 11.505 2.518 1.00 0.00 O ATOM 614 CB CYS A 43 -5.197 11.817 5.564 1.00 0.00 C ATOM 615 SG CYS A 43 -4.058 12.170 6.923 1.00 0.00 S ATOM 0 H CYS A 43 -6.875 12.046 3.586 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.791 13.768 4.761 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.218 11.841 5.944 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.015 10.804 5.205 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.230 11.298 7.871 1.00 0.00 H new ATOM 621 N ALA A 44 -2.792 12.791 3.594 1.00 0.00 N ATOM 622 CA ALA A 44 -1.681 12.407 2.732 1.00 0.00 C ATOM 623 C ALA A 44 -0.681 11.533 3.482 1.00 0.00 C ATOM 624 O ALA A 44 0.469 11.391 3.065 1.00 0.00 O ATOM 625 CB ALA A 44 -0.992 13.645 2.178 1.00 0.00 C ATOM 0 H ALA A 44 -2.546 13.453 4.330 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.081 11.825 1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.164 13.344 1.536 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.706 14.230 1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.611 14.249 3.002 1.00 0.00 H new ATOM 631 N LEU A 45 -1.126 10.950 4.589 1.00 0.00 N ATOM 632 CA LEU A 45 -0.270 10.089 5.398 1.00 0.00 C ATOM 633 C LEU A 45 -0.754 8.643 5.354 1.00 0.00 C ATOM 634 O LEU A 45 -0.048 7.729 5.780 1.00 0.00 O ATOM 635 CB LEU A 45 -0.237 10.584 6.845 1.00 0.00 C ATOM 636 CG LEU A 45 -0.446 12.085 7.045 1.00 0.00 C ATOM 637 CD1 LEU A 45 -1.115 12.357 8.384 1.00 0.00 C ATOM 638 CD2 LEU A 45 0.879 12.827 6.949 1.00 0.00 C ATOM 0 H LEU A 45 -2.075 11.058 4.947 1.00 0.00 H new ATOM 0 HA LEU A 45 0.738 10.128 4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.005 10.052 7.407 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.724 10.310 7.280 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.101 12.449 6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.256 13.431 8.509 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.084 11.858 8.415 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.486 11.977 9.189 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.710 13.894 7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.558 12.460 7.718 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.319 12.660 5.966 1.00 0.00 H new ATOM 650 N ALA A 46 -1.960 8.444 4.833 1.00 0.00 N ATOM 651 CA ALA A 46 -2.536 7.109 4.730 1.00 0.00 C ATOM 652 C ALA A 46 -1.510 6.107 4.212 1.00 0.00 C ATOM 653 O ALA A 46 -1.188 6.092 3.023 1.00 0.00 O ATOM 654 CB ALA A 46 -3.759 7.131 3.824 1.00 0.00 C ATOM 0 H ALA A 46 -2.557 9.190 4.476 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.841 6.794 5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.179 6.128 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.505 7.810 4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.469 7.471 2.830 1.00 0.00 H new ATOM 660 N ARG A 47 -0.999 5.272 5.111 1.00 0.00 N ATOM 661 CA ARG A 47 -0.008 4.268 4.744 1.00 0.00 C ATOM 662 C ARG A 47 -0.180 3.003 5.581 1.00 0.00 C ATOM 663 O ARG A 47 -0.540 3.068 6.757 1.00 0.00 O ATOM 664 CB ARG A 47 1.405 4.825 4.927 1.00 0.00 C ATOM 665 CG ARG A 47 1.726 5.213 6.361 1.00 0.00 C ATOM 666 CD ARG A 47 3.189 5.599 6.520 1.00 0.00 C ATOM 667 NE ARG A 47 3.395 6.510 7.643 1.00 0.00 N ATOM 668 CZ ARG A 47 3.055 7.793 7.620 1.00 0.00 C ATOM 669 NH1 ARG A 47 2.494 8.315 6.538 1.00 0.00 N ATOM 670 NH2 ARG A 47 3.275 8.558 8.682 1.00 0.00 N ATOM 0 H ARG A 47 -1.255 5.271 6.098 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.158 4.012 3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.126 4.080 4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.528 5.699 4.287 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.093 6.048 6.663 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.494 4.380 7.025 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.787 4.700 6.668 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.542 6.069 5.602 1.00 0.00 H new ATOM 0 HE ARG A 47 3.824 6.140 8.491 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.322 7.730 5.720 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.234 9.301 6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.706 8.160 9.517 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.013 9.544 8.663 1.00 0.00 H new ATOM 684 N LEU A 48 0.080 1.854 4.967 1.00 0.00 N ATOM 685 CA LEU A 48 -0.046 0.574 5.655 1.00 0.00 C ATOM 686 C LEU A 48 1.313 0.079 6.138 1.00 0.00 C ATOM 687 O LEU A 48 2.214 -0.169 5.338 1.00 0.00 O ATOM 688 CB LEU A 48 -0.680 -0.465 4.727 1.00 0.00 C ATOM 689 CG LEU A 48 -1.512 -1.552 5.407 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.756 -0.952 6.045 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.893 -2.635 4.408 1.00 0.00 C ATOM 0 H LEU A 48 0.379 1.782 3.995 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.689 0.718 6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.315 0.056 4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.114 -0.947 4.157 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.908 -2.006 6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.336 -1.741 6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.462 -0.213 6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.363 -0.471 5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.485 -3.401 4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.478 -2.195 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.989 -3.086 3.998 1.00 0.00 H new ATOM 703 N GLU A 49 1.452 -0.063 7.452 1.00 0.00 N ATOM 704 CA GLU A 49 2.702 -0.530 8.042 1.00 0.00 C ATOM 705 C GLU A 49 2.574 -1.976 8.512 1.00 0.00 C ATOM 706 O GLU A 49 1.472 -2.465 8.764 1.00 0.00 O ATOM 707 CB GLU A 49 3.104 0.366 9.215 1.00 0.00 C ATOM 708 CG GLU A 49 2.260 0.154 10.460 1.00 0.00 C ATOM 709 CD GLU A 49 2.753 0.964 11.644 1.00 0.00 C ATOM 710 OE1 GLU A 49 3.511 1.933 11.425 1.00 0.00 O ATOM 711 OE2 GLU A 49 2.382 0.630 12.788 1.00 0.00 O ATOM 0 H GLU A 49 0.715 0.138 8.128 1.00 0.00 H new ATOM 0 HA GLU A 49 3.476 -0.482 7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.150 0.182 9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.027 1.409 8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.226 0.425 10.244 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.264 -0.904 10.721 1.00 0.00 H new ATOM 718 N LEU A 50 3.710 -2.656 8.629 1.00 0.00 N ATOM 719 CA LEU A 50 3.727 -4.047 9.069 1.00 0.00 C ATOM 720 C LEU A 50 4.627 -4.221 10.288 1.00 0.00 C ATOM 721 O LEU A 50 5.593 -3.481 10.469 1.00 0.00 O ATOM 722 CB LEU A 50 4.204 -4.955 7.935 1.00 0.00 C ATOM 723 CG LEU A 50 3.336 -4.970 6.676 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.952 -5.866 5.613 1.00 0.00 C ATOM 725 CD2 LEU A 50 1.923 -5.428 7.008 1.00 0.00 C ATOM 0 H LEU A 50 4.631 -2.267 8.425 1.00 0.00 H new ATOM 0 HA LEU A 50 2.711 -4.327 9.347 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.212 -4.651 7.653 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.273 -5.974 8.317 1.00 0.00 H new ATOM 0 HG LEU A 50 3.285 -3.955 6.281 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.320 -5.864 4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.943 -5.495 5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.034 -6.883 5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.319 -5.433 6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.956 -6.434 7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.481 -4.746 7.734 1.00 0.00 H new ATOM 737 N GLN A 51 4.303 -5.206 11.121 1.00 0.00 N ATOM 738 CA GLN A 51 5.083 -5.478 12.322 1.00 0.00 C ATOM 739 C GLN A 51 5.363 -6.970 12.463 1.00 0.00 C ATOM 740 O GLN A 51 4.565 -7.803 12.035 1.00 0.00 O ATOM 741 CB GLN A 51 4.346 -4.966 13.561 1.00 0.00 C ATOM 742 CG GLN A 51 5.114 -5.178 14.856 1.00 0.00 C ATOM 743 CD GLN A 51 4.686 -4.221 15.951 1.00 0.00 C ATOM 744 OE1 GLN A 51 5.293 -3.167 16.142 1.00 0.00 O ATOM 745 NE2 GLN A 51 3.637 -4.585 16.679 1.00 0.00 N ATOM 0 H GLN A 51 3.506 -5.828 10.986 1.00 0.00 H new ATOM 0 HA GLN A 51 6.035 -4.955 12.232 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.143 -3.902 13.439 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.382 -5.469 13.634 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.968 -6.203 15.197 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.180 -5.054 14.666 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.164 -5.468 16.486 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.304 -3.982 17.431 1.00 0.00 H new ATOM 754 N GLU A 52 6.502 -7.299 13.065 1.00 0.00 N ATOM 755 CA GLU A 52 6.887 -8.692 13.260 1.00 0.00 C ATOM 756 C GLU A 52 7.595 -8.878 14.599 1.00 0.00 C ATOM 757 O GLU A 52 8.547 -8.166 14.915 1.00 0.00 O ATOM 758 CB GLU A 52 7.797 -9.158 12.121 1.00 0.00 C ATOM 759 CG GLU A 52 8.733 -8.076 11.609 1.00 0.00 C ATOM 760 CD GLU A 52 9.984 -8.643 10.967 1.00 0.00 C ATOM 761 OE1 GLU A 52 10.977 -8.860 11.693 1.00 0.00 O ATOM 762 OE2 GLU A 52 9.970 -8.870 9.739 1.00 0.00 O ATOM 0 H GLU A 52 7.173 -6.621 13.426 1.00 0.00 H new ATOM 0 HA GLU A 52 5.980 -9.296 13.261 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.389 -10.006 12.464 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.180 -9.513 11.296 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.205 -7.458 10.883 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.017 -7.425 12.436 1.00 0.00 H new ATOM 769 N GLY A 53 7.120 -9.841 15.384 1.00 0.00 N ATOM 770 CA GLY A 53 7.718 -10.104 16.680 1.00 0.00 C ATOM 771 C GLY A 53 8.205 -11.533 16.815 1.00 0.00 C ATOM 772 O GLY A 53 7.515 -12.398 17.356 1.00 0.00 O ATOM 0 H GLY A 53 6.332 -10.443 15.145 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.554 -9.422 16.836 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.988 -9.897 17.462 1.00 0.00 H new ATOM 776 N PRO A 54 9.420 -11.798 16.313 1.00 0.00 N ATOM 777 CA PRO A 54 10.025 -13.133 16.367 1.00 0.00 C ATOM 778 C PRO A 54 10.415 -13.535 17.785 1.00 0.00 C ATOM 779 O PRO A 54 11.283 -12.915 18.399 1.00 0.00 O ATOM 780 CB PRO A 54 11.271 -12.993 15.489 1.00 0.00 C ATOM 781 CG PRO A 54 11.609 -11.543 15.538 1.00 0.00 C ATOM 782 CD PRO A 54 10.297 -10.816 15.654 1.00 0.00 C ATOM 0 HA PRO A 54 9.335 -13.907 16.032 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.091 -13.604 15.866 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.074 -13.319 14.468 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.255 -11.321 16.388 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.147 -11.237 14.641 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.394 -9.904 16.243 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.911 -10.525 14.677 1.00 0.00 H new ATOM 790 N GLU A 55 9.768 -14.576 18.300 1.00 0.00 N ATOM 791 CA GLU A 55 10.049 -15.060 19.646 1.00 0.00 C ATOM 792 C GLU A 55 11.527 -14.896 19.986 1.00 0.00 C ATOM 793 O GLU A 55 11.882 -14.539 21.110 1.00 0.00 O ATOM 794 CB GLU A 55 9.644 -16.530 19.779 1.00 0.00 C ATOM 795 CG GLU A 55 9.328 -16.948 21.205 1.00 0.00 C ATOM 796 CD GLU A 55 10.503 -16.757 22.143 1.00 0.00 C ATOM 797 OE1 GLU A 55 11.368 -17.655 22.203 1.00 0.00 O ATOM 798 OE2 GLU A 55 10.559 -15.707 22.818 1.00 0.00 O ATOM 0 H GLU A 55 9.046 -15.100 17.805 1.00 0.00 H new ATOM 0 HA GLU A 55 9.464 -14.465 20.347 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.771 -16.716 19.153 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.450 -17.156 19.396 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.479 -16.369 21.570 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.027 -17.996 21.214 1.00 0.00 H new ATOM 805 N LYS A 56 12.386 -15.160 19.008 1.00 0.00 N ATOM 806 CA LYS A 56 13.827 -15.041 19.200 1.00 0.00 C ATOM 807 C LYS A 56 14.484 -14.376 17.995 1.00 0.00 C ATOM 808 O LYS A 56 14.083 -14.579 16.849 1.00 0.00 O ATOM 809 CB LYS A 56 14.446 -16.421 19.436 1.00 0.00 C ATOM 810 CG LYS A 56 13.973 -17.089 20.715 1.00 0.00 C ATOM 811 CD LYS A 56 14.187 -18.593 20.671 1.00 0.00 C ATOM 812 CE LYS A 56 13.010 -19.304 20.020 1.00 0.00 C ATOM 813 NZ LYS A 56 13.031 -20.769 20.286 1.00 0.00 N ATOM 0 H LYS A 56 12.109 -15.458 18.073 1.00 0.00 H new ATOM 0 HA LYS A 56 14.001 -14.417 20.076 1.00 0.00 H new ATOM 0 HB2 LYS A 56 14.209 -17.066 18.590 1.00 0.00 H new ATOM 0 HB3 LYS A 56 15.531 -16.323 19.467 1.00 0.00 H new ATOM 0 HG2 LYS A 56 14.510 -16.669 21.566 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.915 -16.875 20.868 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.099 -18.816 20.118 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.328 -18.972 21.683 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.078 -18.880 20.394 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.030 -19.130 18.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.213 -21.217 19.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.909 -21.178 19.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.986 -20.936 21.311 1.00 0.00 H new ATOM 827 N PRO A 57 15.519 -13.564 18.258 1.00 0.00 N ATOM 828 CA PRO A 57 16.255 -12.855 17.207 1.00 0.00 C ATOM 829 C PRO A 57 17.087 -13.798 16.345 1.00 0.00 C ATOM 830 O PRO A 57 17.281 -13.556 15.153 1.00 0.00 O ATOM 831 CB PRO A 57 17.163 -11.904 17.990 1.00 0.00 C ATOM 832 CG PRO A 57 17.340 -12.557 19.318 1.00 0.00 C ATOM 833 CD PRO A 57 16.050 -13.276 19.601 1.00 0.00 C ATOM 0 HA PRO A 57 15.586 -12.350 16.510 1.00 0.00 H new ATOM 0 HB2 PRO A 57 18.120 -11.766 17.486 1.00 0.00 H new ATOM 0 HB3 PRO A 57 16.710 -10.918 18.091 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.179 -13.253 19.302 1.00 0.00 H new ATOM 0 HG3 PRO A 57 17.553 -11.818 20.091 1.00 0.00 H new ATOM 0 HD2 PRO A 57 16.216 -14.190 20.172 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.364 -12.658 20.180 1.00 0.00 H new ATOM 841 N ARG A 58 17.576 -14.873 16.954 1.00 0.00 N ATOM 842 CA ARG A 58 18.388 -15.851 16.241 1.00 0.00 C ATOM 843 C ARG A 58 17.596 -16.491 15.105 1.00 0.00 C ATOM 844 O ARG A 58 18.140 -16.773 14.037 1.00 0.00 O ATOM 845 CB ARG A 58 18.883 -16.933 17.204 1.00 0.00 C ATOM 846 CG ARG A 58 17.880 -18.052 17.431 1.00 0.00 C ATOM 847 CD ARG A 58 18.207 -18.847 18.685 1.00 0.00 C ATOM 848 NE ARG A 58 19.149 -19.931 18.416 1.00 0.00 N ATOM 849 CZ ARG A 58 18.798 -21.091 17.871 1.00 0.00 C ATOM 850 NH1 ARG A 58 17.534 -21.316 17.539 1.00 0.00 N ATOM 851 NH2 ARG A 58 19.712 -22.028 17.657 1.00 0.00 N ATOM 0 H ARG A 58 17.424 -15.089 17.939 1.00 0.00 H new ATOM 0 HA ARG A 58 19.246 -15.332 15.815 1.00 0.00 H new ATOM 0 HB2 ARG A 58 19.808 -17.359 16.814 1.00 0.00 H new ATOM 0 HB3 ARG A 58 19.123 -16.472 18.162 1.00 0.00 H new ATOM 0 HG2 ARG A 58 16.878 -17.632 17.516 1.00 0.00 H new ATOM 0 HG3 ARG A 58 17.874 -18.718 16.568 1.00 0.00 H new ATOM 0 HD2 ARG A 58 18.627 -18.180 19.438 1.00 0.00 H new ATOM 0 HD3 ARG A 58 17.289 -19.260 19.102 1.00 0.00 H new ATOM 0 HE ARG A 58 20.129 -19.790 18.660 1.00 0.00 H new ATOM 0 HH11 ARG A 58 16.828 -20.598 17.702 1.00 0.00 H new ATOM 0 HH12 ARG A 58 17.267 -22.207 17.121 1.00 0.00 H new ATOM 0 HH21 ARG A 58 20.685 -21.859 17.911 1.00 0.00 H new ATOM 0 HH22 ARG A 58 19.442 -22.918 17.239 1.00 0.00 H new ATOM 865 N ARG A 59 16.308 -16.718 15.343 1.00 0.00 N ATOM 866 CA ARG A 59 15.442 -17.326 14.340 1.00 0.00 C ATOM 867 C ARG A 59 15.178 -16.358 13.191 1.00 0.00 C ATOM 868 O ARG A 59 15.417 -16.682 12.026 1.00 0.00 O ATOM 869 CB ARG A 59 14.117 -17.756 14.973 1.00 0.00 C ATOM 870 CG ARG A 59 14.177 -19.119 15.643 1.00 0.00 C ATOM 871 CD ARG A 59 12.787 -19.629 15.993 1.00 0.00 C ATOM 872 NE ARG A 59 12.097 -20.179 14.829 1.00 0.00 N ATOM 873 CZ ARG A 59 10.877 -20.701 14.877 1.00 0.00 C ATOM 874 NH1 ARG A 59 10.215 -20.743 16.025 1.00 0.00 N ATOM 875 NH2 ARG A 59 10.315 -21.182 13.775 1.00 0.00 N ATOM 0 H ARG A 59 15.842 -16.490 16.221 1.00 0.00 H new ATOM 0 HA ARG A 59 15.950 -18.205 13.943 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.817 -17.011 15.710 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.345 -17.772 14.204 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.671 -19.830 14.980 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.781 -19.055 16.548 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.866 -20.396 16.764 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.197 -18.814 16.413 1.00 0.00 H new ATOM 0 HE ARG A 59 12.579 -20.161 13.930 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.643 -20.374 16.874 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.278 -21.145 16.059 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.820 -21.151 12.890 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.378 -21.583 13.814 1.00 0.00 H new ATOM 889 N CYS A 60 14.684 -15.171 13.525 1.00 0.00 N ATOM 890 CA CYS A 60 14.386 -14.156 12.521 1.00 0.00 C ATOM 891 C CYS A 60 14.770 -12.767 13.021 1.00 0.00 C ATOM 892 O CYS A 60 14.247 -12.294 14.029 1.00 0.00 O ATOM 893 CB CYS A 60 12.901 -14.188 12.158 1.00 0.00 C ATOM 894 SG CYS A 60 12.438 -13.040 10.841 1.00 0.00 S ATOM 0 H CYS A 60 14.481 -14.888 14.484 1.00 0.00 H new ATOM 0 HA CYS A 60 14.975 -14.377 11.631 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.634 -15.200 11.853 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.315 -13.958 13.048 1.00 0.00 H new ATOM 0 HG CYS A 60 13.030 -11.898 11.033 1.00 0.00 H new ATOM 900 N GLU A 61 15.688 -12.121 12.309 1.00 0.00 N ATOM 901 CA GLU A 61 16.143 -10.787 12.683 1.00 0.00 C ATOM 902 C GLU A 61 15.028 -9.761 12.505 1.00 0.00 C ATOM 903 O GLU A 61 14.175 -9.902 11.629 1.00 0.00 O ATOM 904 CB GLU A 61 17.359 -10.385 11.845 1.00 0.00 C ATOM 905 CG GLU A 61 17.853 -8.975 12.125 1.00 0.00 C ATOM 906 CD GLU A 61 18.754 -8.444 11.028 1.00 0.00 C ATOM 907 OE1 GLU A 61 18.224 -8.018 9.980 1.00 0.00 O ATOM 908 OE2 GLU A 61 19.988 -8.454 11.216 1.00 0.00 O ATOM 0 H GLU A 61 16.131 -12.499 11.471 1.00 0.00 H new ATOM 0 HA GLU A 61 16.427 -10.810 13.735 1.00 0.00 H new ATOM 0 HB2 GLU A 61 18.169 -11.089 12.035 1.00 0.00 H new ATOM 0 HB3 GLU A 61 17.105 -10.469 10.788 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.997 -8.310 12.240 1.00 0.00 H new ATOM 0 HG3 GLU A 61 18.394 -8.965 13.071 1.00 0.00 H new ATOM 915 N ALA A 62 15.041 -8.730 13.343 1.00 0.00 N ATOM 916 CA ALA A 62 14.032 -7.680 13.278 1.00 0.00 C ATOM 917 C ALA A 62 14.012 -7.022 11.902 1.00 0.00 C ATOM 918 O ALA A 62 15.035 -6.957 11.221 1.00 0.00 O ATOM 919 CB ALA A 62 14.283 -6.639 14.359 1.00 0.00 C ATOM 0 H ALA A 62 15.739 -8.599 14.075 1.00 0.00 H new ATOM 0 HA ALA A 62 13.057 -8.137 13.448 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.522 -5.861 14.299 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.239 -7.114 15.339 1.00 0.00 H new ATOM 0 HB3 ALA A 62 15.268 -6.195 14.215 1.00 0.00 H new ATOM 925 N ALA A 63 12.842 -6.537 11.500 1.00 0.00 N ATOM 926 CA ALA A 63 12.690 -5.883 10.206 1.00 0.00 C ATOM 927 C ALA A 63 11.490 -4.943 10.204 1.00 0.00 C ATOM 928 O ALA A 63 10.567 -5.097 11.003 1.00 0.00 O ATOM 929 CB ALA A 63 12.552 -6.922 9.103 1.00 0.00 C ATOM 0 H ALA A 63 11.985 -6.585 12.052 1.00 0.00 H new ATOM 0 HA ALA A 63 13.584 -5.288 10.019 1.00 0.00 H new ATOM 0 HB1 ALA A 63 12.439 -6.420 8.142 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.442 -7.550 9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.675 -7.541 9.294 1.00 0.00 H new ATOM 935 N ARG A 64 11.510 -3.968 9.301 1.00 0.00 N ATOM 936 CA ARG A 64 10.423 -3.001 9.197 1.00 0.00 C ATOM 937 C ARG A 64 9.951 -2.868 7.752 1.00 0.00 C ATOM 938 O ARG A 64 10.731 -2.530 6.861 1.00 0.00 O ATOM 939 CB ARG A 64 10.873 -1.638 9.725 1.00 0.00 C ATOM 940 CG ARG A 64 10.678 -1.471 11.224 1.00 0.00 C ATOM 941 CD ARG A 64 10.509 -0.009 11.604 1.00 0.00 C ATOM 942 NE ARG A 64 10.429 0.174 13.051 1.00 0.00 N ATOM 943 CZ ARG A 64 10.243 1.354 13.633 1.00 0.00 C ATOM 944 NH1 ARG A 64 10.118 2.449 12.896 1.00 0.00 N ATOM 945 NH2 ARG A 64 10.180 1.440 14.956 1.00 0.00 N ATOM 0 H ARG A 64 12.266 -3.827 8.631 1.00 0.00 H new ATOM 0 HA ARG A 64 9.591 -3.361 9.802 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.927 -1.495 9.486 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.319 -0.856 9.206 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.801 -2.035 11.543 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.535 -1.889 11.752 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.347 0.567 11.211 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.606 0.385 11.138 1.00 0.00 H new ATOM 0 HE ARG A 64 10.521 -0.649 13.647 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.164 2.387 11.879 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.975 3.353 13.346 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.274 0.600 15.527 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.037 2.346 15.402 1.00 0.00 H new ATOM 959 N LYS A 65 8.670 -3.135 7.526 1.00 0.00 N ATOM 960 CA LYS A 65 8.092 -3.045 6.190 1.00 0.00 C ATOM 961 C LYS A 65 6.824 -2.197 6.202 1.00 0.00 C ATOM 962 O LYS A 65 5.870 -2.499 6.918 1.00 0.00 O ATOM 963 CB LYS A 65 7.778 -4.443 5.652 1.00 0.00 C ATOM 964 CG LYS A 65 8.994 -5.172 5.108 1.00 0.00 C ATOM 965 CD LYS A 65 8.715 -6.653 4.913 1.00 0.00 C ATOM 966 CE LYS A 65 9.700 -7.282 3.939 1.00 0.00 C ATOM 967 NZ LYS A 65 11.083 -7.314 4.491 1.00 0.00 N ATOM 0 H LYS A 65 8.011 -3.416 8.252 1.00 0.00 H new ATOM 0 HA LYS A 65 8.822 -2.567 5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.334 -5.039 6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.031 -4.360 4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.290 -4.728 4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.832 -5.046 5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.774 -7.165 5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.699 -6.787 4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.380 -8.297 3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.695 -6.721 3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.724 -7.750 3.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.399 -6.344 4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.093 -7.871 5.369 1.00 0.00 H new ATOM 981 N VAL A 66 6.821 -1.135 5.403 1.00 0.00 N ATOM 982 CA VAL A 66 5.670 -0.244 5.320 1.00 0.00 C ATOM 983 C VAL A 66 5.293 0.033 3.869 1.00 0.00 C ATOM 984 O VAL A 66 6.102 0.547 3.095 1.00 0.00 O ATOM 985 CB VAL A 66 5.942 1.094 6.033 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.860 1.969 5.194 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.635 1.812 6.333 1.00 0.00 C ATOM 0 H VAL A 66 7.603 -0.871 4.804 1.00 0.00 H new ATOM 0 HA VAL A 66 4.842 -0.750 5.817 1.00 0.00 H new ATOM 0 HB VAL A 66 6.442 0.887 6.979 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.041 2.910 5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.808 1.454 5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.390 2.171 4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.845 2.755 6.837 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.106 2.009 5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.016 1.187 6.977 1.00 0.00 H new ATOM 997 N ILE A 67 4.062 -0.310 3.507 1.00 0.00 N ATOM 998 CA ILE A 67 3.578 -0.096 2.148 1.00 0.00 C ATOM 999 C ILE A 67 2.540 1.021 2.104 1.00 0.00 C ATOM 1000 O ILE A 67 1.387 0.826 2.488 1.00 0.00 O ATOM 1001 CB ILE A 67 2.961 -1.379 1.562 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.904 -2.565 1.769 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.653 -1.191 0.084 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.192 -3.898 1.845 1.00 0.00 C ATOM 0 H ILE A 67 3.381 -0.737 4.135 1.00 0.00 H new ATOM 0 HA ILE A 67 4.441 0.189 1.546 1.00 0.00 H new ATOM 0 HB ILE A 67 2.027 -1.587 2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.624 -2.593 0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.471 -2.412 2.688 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.217 -2.107 -0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.947 -0.369 -0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.573 -0.962 -0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.923 -4.693 1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.492 -3.889 2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.648 -4.073 0.917 1.00 0.00 H new ATOM 1016 N ARG A 68 2.957 2.190 1.630 1.00 0.00 N ATOM 1017 CA ARG A 68 2.064 3.338 1.535 1.00 0.00 C ATOM 1018 C ARG A 68 0.854 3.015 0.663 1.00 0.00 C ATOM 1019 O ARG A 68 0.937 2.196 -0.254 1.00 0.00 O ATOM 1020 CB ARG A 68 2.809 4.546 0.963 1.00 0.00 C ATOM 1021 CG ARG A 68 3.977 5.003 1.821 1.00 0.00 C ATOM 1022 CD ARG A 68 4.634 6.250 1.250 1.00 0.00 C ATOM 1023 NE ARG A 68 5.948 6.495 1.838 1.00 0.00 N ATOM 1024 CZ ARG A 68 6.655 7.599 1.624 1.00 0.00 C ATOM 1025 NH1 ARG A 68 6.176 8.555 0.841 1.00 0.00 N ATOM 1026 NH2 ARG A 68 7.843 7.749 2.195 1.00 0.00 N ATOM 0 H ARG A 68 3.908 2.367 1.306 1.00 0.00 H new ATOM 0 HA ARG A 68 1.714 3.577 2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.176 4.298 -0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.108 5.373 0.848 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.628 5.205 2.834 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.713 4.202 1.891 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.734 6.144 0.170 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.991 7.112 1.428 1.00 0.00 H new ATOM 0 HE ARG A 68 6.345 5.779 2.447 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.262 8.444 0.401 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.721 9.402 0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.215 7.016 2.799 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.385 8.597 2.030 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.269 3.661 0.955 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.497 3.442 0.198 1.00 0.00 C ATOM 1042 C LEU A 69 -1.501 4.268 -1.084 1.00 0.00 C ATOM 1043 O LEU A 69 -2.266 3.993 -2.009 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.715 3.799 1.052 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.002 2.871 2.233 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.240 3.333 2.986 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.170 1.436 1.756 1.00 0.00 C ATOM 0 H LEU A 69 -0.355 4.341 1.711 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.546 2.387 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.581 4.811 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.594 3.816 0.407 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.152 2.908 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.429 2.661 3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.081 4.344 3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.098 3.326 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.374 0.790 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.001 1.381 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.255 1.107 1.262 1.00 0.00 H new ATOM 1059 N SER A 70 -0.640 5.279 -1.134 1.00 0.00 N ATOM 1060 CA SER A 70 -0.545 6.146 -2.302 1.00 0.00 C ATOM 1061 C SER A 70 0.365 5.532 -3.362 1.00 0.00 C ATOM 1062 O SER A 70 0.444 6.023 -4.488 1.00 0.00 O ATOM 1063 CB SER A 70 -0.019 7.525 -1.900 1.00 0.00 C ATOM 1064 OG SER A 70 1.312 7.443 -1.420 1.00 0.00 O ATOM 0 H SER A 70 0.002 5.518 -0.378 1.00 0.00 H new ATOM 0 HA SER A 70 -1.544 6.255 -2.724 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.059 8.197 -2.757 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.661 7.952 -1.130 1.00 0.00 H new ATOM 0 HG SER A 70 1.626 8.337 -1.171 1.00 0.00 H new ATOM 1070 N ASP A 71 1.049 4.455 -2.993 1.00 0.00 N ATOM 1071 CA ASP A 71 1.953 3.771 -3.910 1.00 0.00 C ATOM 1072 C ASP A 71 1.257 2.590 -4.579 1.00 0.00 C ATOM 1073 O ASP A 71 1.717 2.086 -5.605 1.00 0.00 O ATOM 1074 CB ASP A 71 3.201 3.291 -3.168 1.00 0.00 C ATOM 1075 CG ASP A 71 4.131 4.431 -2.800 1.00 0.00 C ATOM 1076 OD1 ASP A 71 3.637 5.563 -2.617 1.00 0.00 O ATOM 1077 OD2 ASP A 71 5.352 4.191 -2.697 1.00 0.00 O ATOM 0 H ASP A 71 0.995 4.036 -2.064 1.00 0.00 H new ATOM 0 HA ASP A 71 2.251 4.479 -4.683 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.901 2.764 -2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.737 2.575 -3.791 1.00 0.00 H new ATOM 1082 N CYS A 72 0.149 2.153 -3.992 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.609 1.029 -4.529 1.00 0.00 C ATOM 1084 C CYS A 72 -1.225 1.384 -5.879 1.00 0.00 C ATOM 1085 O CYS A 72 -2.224 2.101 -5.948 1.00 0.00 O ATOM 1086 CB CYS A 72 -1.706 0.611 -3.549 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.156 0.499 -1.830 1.00 0.00 S ATOM 0 H CYS A 72 -0.245 2.560 -3.144 1.00 0.00 H new ATOM 0 HA CYS A 72 0.078 0.195 -4.671 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.526 1.327 -3.611 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.103 -0.356 -3.856 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.186 1.341 -1.629 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.621 0.880 -6.950 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.109 1.145 -8.299 1.00 0.00 C ATOM 1095 C LEU A 73 -2.566 0.720 -8.444 1.00 0.00 C ATOM 1096 O LEU A 73 -3.413 1.506 -8.870 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.247 0.412 -9.327 1.00 0.00 C ATOM 1098 CG LEU A 73 1.231 0.802 -9.365 1.00 0.00 C ATOM 1099 CD1 LEU A 73 2.019 -0.171 -10.229 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.394 2.226 -9.877 1.00 0.00 C ATOM 0 H LEU A 73 0.207 0.286 -6.910 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.044 2.218 -8.478 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.315 -0.658 -9.131 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.673 0.583 -10.316 1.00 0.00 H new ATOM 0 HG LEU A 73 1.625 0.755 -8.350 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.068 0.123 -10.244 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.930 -1.177 -9.818 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.624 -0.158 -11.245 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.452 2.486 -9.897 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.983 2.300 -10.884 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.864 2.913 -9.217 1.00 0.00 H new ATOM 1112 N ARG A 74 -2.852 -0.528 -8.086 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.208 -1.057 -8.176 1.00 0.00 C ATOM 1114 C ARG A 74 -4.367 -2.295 -7.298 1.00 0.00 C ATOM 1115 O ARG A 74 -3.446 -3.102 -7.171 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.548 -1.401 -9.627 1.00 0.00 C ATOM 1117 CG ARG A 74 -6.038 -1.572 -9.879 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.476 -3.013 -9.670 1.00 0.00 C ATOM 1119 NE ARG A 74 -7.860 -3.229 -10.082 1.00 0.00 N ATOM 1120 CZ ARG A 74 -8.256 -3.246 -11.350 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -7.377 -3.060 -12.325 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -9.534 -3.449 -11.645 1.00 0.00 N ATOM 0 H ARG A 74 -2.163 -1.191 -7.731 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.896 -0.289 -7.821 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.166 -0.614 -10.277 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.033 -2.321 -9.904 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.599 -0.919 -9.210 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.274 -1.263 -10.897 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.822 -3.676 -10.235 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.365 -3.277 -8.618 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.562 -3.375 -9.356 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.394 -2.903 -12.102 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.684 -3.074 -13.298 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.213 -3.592 -10.898 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.837 -3.462 -12.619 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.542 -2.438 -6.694 1.00 0.00 N ATOM 1137 CA VAL A 75 -5.823 -3.577 -5.829 1.00 0.00 C ATOM 1138 C VAL A 75 -7.095 -4.298 -6.263 1.00 0.00 C ATOM 1139 O VAL A 75 -7.866 -3.783 -7.073 1.00 0.00 O ATOM 1140 CB VAL A 75 -5.970 -3.142 -4.358 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -4.749 -2.354 -3.910 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.240 -2.327 -4.169 1.00 0.00 C ATOM 0 H VAL A 75 -6.315 -1.779 -6.788 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.976 -4.257 -5.917 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.043 -4.035 -3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.871 -2.055 -2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.859 -2.976 -4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.641 -1.466 -4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.328 -2.028 -3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.199 -1.438 -4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.104 -2.930 -4.448 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.308 -5.491 -5.720 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.487 -6.282 -6.049 1.00 0.00 C ATOM 1154 C ALA A 76 -8.803 -7.284 -4.944 1.00 0.00 C ATOM 1155 O ALA A 76 -8.062 -7.398 -3.968 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.287 -7.001 -7.375 1.00 0.00 C ATOM 0 H ALA A 76 -6.679 -5.932 -5.049 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.335 -5.603 -6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.175 -7.588 -7.608 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.119 -6.268 -8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.424 -7.662 -7.304 1.00 0.00 H new ATOM 1162 N GLU A 77 -9.907 -8.006 -5.104 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.321 -8.997 -4.118 1.00 0.00 C ATOM 1164 C GLU A 77 -10.316 -10.399 -4.720 1.00 0.00 C ATOM 1165 O GLU A 77 -11.026 -10.673 -5.687 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.715 -8.665 -3.582 1.00 0.00 C ATOM 1167 CG GLU A 77 -11.869 -7.220 -3.140 1.00 0.00 C ATOM 1168 CD GLU A 77 -12.294 -6.305 -4.273 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -11.405 -5.775 -4.971 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -13.514 -6.120 -4.460 1.00 0.00 O ATOM 0 H GLU A 77 -10.531 -7.923 -5.907 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.608 -8.972 -3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.453 -8.880 -4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.936 -9.320 -2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.606 -7.166 -2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.923 -6.867 -2.728 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.510 -11.283 -4.141 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.413 -12.657 -4.619 1.00 0.00 C ATOM 1179 C ALA A 78 -10.327 -13.581 -3.822 1.00 0.00 C ATOM 1180 O ALA A 78 -10.189 -13.708 -2.606 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.973 -13.141 -4.543 1.00 0.00 C ATOM 0 H ALA A 78 -8.915 -11.072 -3.340 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.737 -12.678 -5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.915 -14.168 -4.903 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.342 -12.503 -5.162 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.629 -13.099 -3.510 1.00 0.00 H new ATOM 1187 N GLY A 79 -11.261 -14.224 -4.515 1.00 0.00 N ATOM 1188 CA GLY A 79 -12.185 -15.128 -3.854 1.00 0.00 C ATOM 1189 C GLY A 79 -12.435 -16.390 -4.657 1.00 0.00 C ATOM 1190 O GLY A 79 -13.549 -16.628 -5.121 1.00 0.00 O ATOM 0 H GLY A 79 -11.395 -14.135 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.788 -15.396 -2.875 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.132 -14.615 -3.685 1.00 0.00 H new ATOM 1194 N GLY A 80 -11.394 -17.200 -4.822 1.00 0.00 N ATOM 1195 CA GLY A 80 -11.526 -18.433 -5.576 1.00 0.00 C ATOM 1196 C GLY A 80 -10.525 -19.487 -5.144 1.00 0.00 C ATOM 1197 O GLY A 80 -10.892 -20.480 -4.517 1.00 0.00 O ATOM 0 H GLY A 80 -10.462 -17.025 -4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.536 -18.824 -5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.392 -18.223 -6.637 1.00 0.00 H new ATOM 1201 N GLU A 81 -9.258 -19.271 -5.483 1.00 0.00 N ATOM 1202 CA GLU A 81 -8.202 -20.212 -5.128 1.00 0.00 C ATOM 1203 C GLU A 81 -6.854 -19.504 -5.027 1.00 0.00 C ATOM 1204 O GLU A 81 -6.439 -18.802 -5.948 1.00 0.00 O ATOM 1205 CB GLU A 81 -8.123 -21.338 -6.162 1.00 0.00 C ATOM 1206 CG GLU A 81 -9.415 -22.125 -6.304 1.00 0.00 C ATOM 1207 CD GLU A 81 -9.323 -23.210 -7.360 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -8.831 -22.916 -8.470 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -9.744 -24.351 -7.077 1.00 0.00 O ATOM 0 H GLU A 81 -8.938 -18.454 -6.002 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.443 -20.639 -4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.858 -20.913 -7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.320 -22.021 -5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.668 -22.577 -5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.226 -21.443 -6.559 1.00 0.00 H new ATOM 1216 N ALA A 82 -6.176 -19.695 -3.900 1.00 0.00 N ATOM 1217 CA ALA A 82 -4.875 -19.077 -3.677 1.00 0.00 C ATOM 1218 C ALA A 82 -4.151 -19.727 -2.503 1.00 0.00 C ATOM 1219 O ALA A 82 -4.780 -20.318 -1.625 1.00 0.00 O ATOM 1220 CB ALA A 82 -5.034 -17.582 -3.440 1.00 0.00 C ATOM 0 H ALA A 82 -6.506 -20.273 -3.127 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.271 -19.230 -4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.054 -17.134 -3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.501 -17.123 -4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.661 -17.417 -2.564 1.00 0.00 H new ATOM 1226 N SER A 83 -2.827 -19.615 -2.494 1.00 0.00 N ATOM 1227 CA SER A 83 -2.018 -20.196 -1.430 1.00 0.00 C ATOM 1228 C SER A 83 -2.691 -20.012 -0.073 1.00 0.00 C ATOM 1229 O SER A 83 -2.506 -20.818 0.838 1.00 0.00 O ATOM 1230 CB SER A 83 -0.627 -19.559 -1.412 1.00 0.00 C ATOM 1231 OG SER A 83 0.006 -19.681 -2.674 1.00 0.00 O ATOM 0 H SER A 83 -2.292 -19.127 -3.212 1.00 0.00 H new ATOM 0 HA SER A 83 -1.919 -21.264 -1.625 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.709 -18.506 -1.143 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.015 -20.036 -0.647 1.00 0.00 H new ATOM 0 HG SER A 83 0.977 -19.727 -2.550 1.00 0.00 H new ATOM 1237 N SER A 84 -3.473 -18.945 0.052 1.00 0.00 N ATOM 1238 CA SER A 84 -4.172 -18.651 1.298 1.00 0.00 C ATOM 1239 C SER A 84 -4.910 -19.885 1.811 1.00 0.00 C ATOM 1240 O SER A 84 -5.288 -20.775 1.049 1.00 0.00 O ATOM 1241 CB SER A 84 -5.159 -17.500 1.095 1.00 0.00 C ATOM 1242 OG SER A 84 -6.063 -17.784 0.041 1.00 0.00 O ATOM 0 H SER A 84 -3.639 -18.269 -0.694 1.00 0.00 H new ATOM 0 HA SER A 84 -3.431 -18.357 2.041 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.714 -17.325 2.017 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.613 -16.583 0.873 1.00 0.00 H new ATOM 0 HG SER A 84 -6.684 -17.034 -0.068 1.00 0.00 H new ATOM 1248 N PRO A 85 -5.119 -19.940 3.134 1.00 0.00 N ATOM 1249 CA PRO A 85 -5.813 -21.058 3.780 1.00 0.00 C ATOM 1250 C PRO A 85 -7.300 -21.089 3.444 1.00 0.00 C ATOM 1251 O PRO A 85 -7.776 -20.310 2.618 1.00 0.00 O ATOM 1252 CB PRO A 85 -5.607 -20.789 5.273 1.00 0.00 C ATOM 1253 CG PRO A 85 -5.402 -19.317 5.367 1.00 0.00 C ATOM 1254 CD PRO A 85 -4.695 -18.915 4.103 1.00 0.00 C ATOM 0 HA PRO A 85 -5.427 -22.023 3.450 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.472 -21.106 5.856 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.745 -21.334 5.658 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -6.354 -18.796 5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.808 -19.061 6.244 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -4.984 -17.914 3.782 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.613 -18.908 4.233 1.00 0.00 H new ATOM 1262 N ARG A 86 -8.029 -21.993 4.090 1.00 0.00 N ATOM 1263 CA ARG A 86 -9.463 -22.125 3.859 1.00 0.00 C ATOM 1264 C ARG A 86 -10.253 -21.248 4.826 1.00 0.00 C ATOM 1265 O ARG A 86 -9.747 -20.855 5.878 1.00 0.00 O ATOM 1266 CB ARG A 86 -9.893 -23.585 4.011 1.00 0.00 C ATOM 1267 CG ARG A 86 -11.092 -23.960 3.155 1.00 0.00 C ATOM 1268 CD ARG A 86 -11.780 -25.211 3.676 1.00 0.00 C ATOM 1269 NE ARG A 86 -10.939 -26.397 3.535 1.00 0.00 N ATOM 1270 CZ ARG A 86 -11.415 -27.637 3.512 1.00 0.00 C ATOM 1271 NH1 ARG A 86 -12.719 -27.852 3.620 1.00 0.00 N ATOM 1272 NH2 ARG A 86 -10.586 -28.665 3.380 1.00 0.00 N ATOM 0 H ARG A 86 -7.651 -22.645 4.777 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.673 -21.795 2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.055 -24.231 3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.130 -23.778 5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.802 -23.133 3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.769 -24.123 2.127 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.038 -25.072 4.726 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.714 -25.363 3.135 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.931 -26.266 3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.359 -27.064 3.721 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.082 -28.805 3.602 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.582 -28.503 3.296 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.952 -29.617 3.362 1.00 0.00 H new ATOM 1286 N ASP A 87 -11.494 -20.944 4.462 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.354 -20.114 5.297 1.00 0.00 C ATOM 1288 C ASP A 87 -11.819 -18.687 5.378 1.00 0.00 C ATOM 1289 O ASP A 87 -12.002 -18.000 6.383 1.00 0.00 O ATOM 1290 CB ASP A 87 -12.466 -20.709 6.702 1.00 0.00 C ATOM 1291 CG ASP A 87 -13.728 -20.270 7.417 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -13.779 -19.108 7.873 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -14.666 -21.088 7.521 1.00 0.00 O ATOM 0 H ASP A 87 -11.927 -21.260 3.594 1.00 0.00 H new ATOM 0 HA ASP A 87 -13.344 -20.088 4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.449 -21.797 6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -11.597 -20.412 7.289 1.00 0.00 H new ATOM 1298 N THR A 88 -11.157 -18.247 4.312 1.00 0.00 N ATOM 1299 CA THR A 88 -10.594 -16.904 4.263 1.00 0.00 C ATOM 1300 C THR A 88 -10.747 -16.294 2.874 1.00 0.00 C ATOM 1301 O THR A 88 -11.292 -16.923 1.967 1.00 0.00 O ATOM 1302 CB THR A 88 -9.103 -16.905 4.649 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.410 -17.927 3.923 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.931 -17.132 6.143 1.00 0.00 C ATOM 0 H THR A 88 -10.998 -18.802 3.471 1.00 0.00 H new ATOM 0 HA THR A 88 -11.148 -16.303 4.984 1.00 0.00 H new ATOM 0 HB THR A 88 -8.684 -15.931 4.395 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.450 -17.729 3.915 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.870 -17.129 6.392 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.435 -16.337 6.692 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.365 -18.094 6.417 1.00 0.00 H new ATOM 1312 N SER A 89 -10.263 -15.067 2.715 1.00 0.00 N ATOM 1313 CA SER A 89 -10.349 -14.371 1.436 1.00 0.00 C ATOM 1314 C SER A 89 -9.120 -13.495 1.211 1.00 0.00 C ATOM 1315 O SER A 89 -8.963 -12.453 1.847 1.00 0.00 O ATOM 1316 CB SER A 89 -11.616 -13.516 1.381 1.00 0.00 C ATOM 1317 OG SER A 89 -12.777 -14.314 1.538 1.00 0.00 O ATOM 0 H SER A 89 -9.807 -14.534 3.456 1.00 0.00 H new ATOM 0 HA SER A 89 -10.390 -15.120 0.645 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.582 -12.759 2.165 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.660 -12.987 0.429 1.00 0.00 H new ATOM 0 HG SER A 89 -13.573 -13.744 1.501 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.252 -13.926 0.302 1.00 0.00 N ATOM 1324 CA ALA A 90 -7.039 -13.181 -0.010 1.00 0.00 C ATOM 1325 C ALA A 90 -7.338 -12.008 -0.938 1.00 0.00 C ATOM 1326 O ALA A 90 -8.272 -12.059 -1.737 1.00 0.00 O ATOM 1327 CB ALA A 90 -6.001 -14.101 -0.636 1.00 0.00 C ATOM 0 H ALA A 90 -8.366 -14.788 -0.231 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.639 -12.780 0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.100 -13.531 -0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.757 -14.902 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.401 -14.530 -1.555 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.538 -10.953 -0.825 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.719 -9.766 -1.653 1.00 0.00 C ATOM 1335 C PHE A 91 -5.450 -9.456 -2.442 1.00 0.00 C ATOM 1336 O PHE A 91 -4.367 -9.941 -2.114 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.099 -8.565 -0.784 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.049 -8.200 0.226 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -5.892 -8.947 1.382 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.219 -7.109 0.019 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -4.927 -8.613 2.314 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.252 -6.770 0.947 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.106 -7.524 2.095 1.00 0.00 C ATOM 0 H PHE A 91 -5.759 -10.896 -0.169 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.526 -9.965 -2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.287 -7.706 -1.428 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.032 -8.784 -0.264 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.531 -9.800 1.557 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.329 -6.517 -0.878 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.815 -9.203 3.212 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.612 -5.917 0.775 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.350 -7.262 2.821 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.593 -8.644 -3.485 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.460 -8.270 -4.323 1.00 0.00 C ATOM 1355 C PHE A 92 -3.920 -6.899 -3.927 1.00 0.00 C ATOM 1356 O PHE A 92 -4.645 -6.067 -3.380 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.869 -8.262 -5.798 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.843 -9.623 -6.434 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.638 -10.246 -6.718 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -6.022 -10.278 -6.748 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.611 -11.497 -7.305 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -6.002 -11.530 -7.334 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.794 -12.141 -7.611 1.00 0.00 C ATOM 0 H PHE A 92 -6.482 -8.233 -3.770 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.672 -9.009 -4.175 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.873 -7.847 -5.886 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.201 -7.599 -6.349 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.710 -9.749 -6.478 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.969 -9.805 -6.532 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.666 -11.971 -7.524 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.929 -12.030 -7.575 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.775 -13.120 -8.066 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.641 -6.671 -4.206 1.00 0.00 N ATOM 1374 CA LEU A 93 -2.002 -5.401 -3.878 1.00 0.00 C ATOM 1375 C LEU A 93 -0.802 -5.145 -4.785 1.00 0.00 C ATOM 1376 O LEU A 93 0.250 -5.764 -4.627 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.559 -5.393 -2.414 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.506 -4.023 -1.736 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -0.770 -4.112 -0.409 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.843 -3.002 -2.649 1.00 0.00 C ATOM 0 H LEU A 93 -2.027 -7.348 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.730 -4.605 -4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.237 -6.031 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.569 -5.845 -2.352 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.527 -3.696 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.742 -3.128 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.287 -4.811 0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.248 -4.461 -0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.814 -2.033 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.173 -3.324 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.413 -2.917 -3.574 1.00 0.00 H new ATOM 1392 N GLU A 94 -0.968 -4.229 -5.734 1.00 0.00 N ATOM 1393 CA GLU A 94 0.102 -3.891 -6.664 1.00 0.00 C ATOM 1394 C GLU A 94 0.691 -2.521 -6.343 1.00 0.00 C ATOM 1395 O GLU A 94 -0.039 -1.548 -6.146 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.418 -3.909 -8.103 1.00 0.00 C ATOM 1397 CG GLU A 94 0.684 -3.935 -9.149 1.00 0.00 C ATOM 1398 CD GLU A 94 0.145 -4.042 -10.562 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -0.720 -4.909 -10.804 1.00 0.00 O ATOM 1400 OE2 GLU A 94 0.589 -3.257 -11.427 1.00 0.00 O ATOM 0 H GLU A 94 -1.833 -3.708 -5.879 1.00 0.00 H new ATOM 0 HA GLU A 94 0.888 -4.639 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.057 -4.782 -8.239 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.041 -3.030 -8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.285 -3.030 -9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.347 -4.778 -8.952 1.00 0.00 H new ATOM 1407 N THR A 95 2.018 -2.450 -6.290 1.00 0.00 N ATOM 1408 CA THR A 95 2.706 -1.201 -5.990 1.00 0.00 C ATOM 1409 C THR A 95 3.878 -0.978 -6.938 1.00 0.00 C ATOM 1410 O THR A 95 4.474 -1.931 -7.440 1.00 0.00 O ATOM 1411 CB THR A 95 3.222 -1.178 -4.539 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.306 -2.101 -4.390 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.109 -1.532 -3.563 1.00 0.00 C ATOM 0 H THR A 95 2.638 -3.244 -6.451 1.00 0.00 H new ATOM 0 HA THR A 95 1.979 -0.400 -6.121 1.00 0.00 H new ATOM 0 HB THR A 95 3.571 -0.170 -4.317 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.118 -2.912 -4.906 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.497 -1.509 -2.545 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.298 -0.810 -3.658 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.734 -2.531 -3.786 1.00 0.00 H new ATOM 1421 N LYS A 96 4.206 0.287 -7.179 1.00 0.00 N ATOM 1422 CA LYS A 96 5.310 0.636 -8.065 1.00 0.00 C ATOM 1423 C LYS A 96 6.487 -0.314 -7.869 1.00 0.00 C ATOM 1424 O LYS A 96 7.147 -0.705 -8.831 1.00 0.00 O ATOM 1425 CB LYS A 96 5.757 2.078 -7.813 1.00 0.00 C ATOM 1426 CG LYS A 96 4.735 3.116 -8.244 1.00 0.00 C ATOM 1427 CD LYS A 96 5.387 4.460 -8.519 1.00 0.00 C ATOM 1428 CE LYS A 96 5.839 4.575 -9.967 1.00 0.00 C ATOM 1429 NZ LYS A 96 6.807 5.689 -10.159 1.00 0.00 N ATOM 0 H LYS A 96 3.722 1.088 -6.773 1.00 0.00 H new ATOM 0 HA LYS A 96 4.960 0.545 -9.093 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.965 2.205 -6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.691 2.258 -8.344 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.220 2.770 -9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.980 3.229 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.683 5.260 -8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.243 4.592 -7.858 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.298 3.637 -10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.971 4.734 -10.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.091 5.734 -11.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.361 6.588 -9.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.647 5.525 -9.568 1.00 0.00 H new ATOM 1443 N GLU A 97 6.743 -0.681 -6.617 1.00 0.00 N ATOM 1444 CA GLU A 97 7.840 -1.586 -6.297 1.00 0.00 C ATOM 1445 C GLU A 97 7.611 -2.961 -6.919 1.00 0.00 C ATOM 1446 O GLU A 97 8.390 -3.411 -7.759 1.00 0.00 O ATOM 1447 CB GLU A 97 7.995 -1.720 -4.780 1.00 0.00 C ATOM 1448 CG GLU A 97 9.237 -2.486 -4.360 1.00 0.00 C ATOM 1449 CD GLU A 97 10.504 -1.927 -4.978 1.00 0.00 C ATOM 1450 OE1 GLU A 97 10.765 -2.219 -6.164 1.00 0.00 O ATOM 1451 OE2 GLU A 97 11.235 -1.198 -4.275 1.00 0.00 O ATOM 0 H GLU A 97 6.206 -0.366 -5.809 1.00 0.00 H new ATOM 0 HA GLU A 97 8.756 -1.166 -6.713 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.026 -0.724 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.115 -2.222 -4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.325 -2.460 -3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.128 -3.532 -4.646 1.00 0.00 H new ATOM 1458 N ARG A 98 6.538 -3.623 -6.498 1.00 0.00 N ATOM 1459 CA ARG A 98 6.207 -4.946 -7.012 1.00 0.00 C ATOM 1460 C ARG A 98 4.812 -5.371 -6.562 1.00 0.00 C ATOM 1461 O ARG A 98 4.135 -4.644 -5.833 1.00 0.00 O ATOM 1462 CB ARG A 98 7.240 -5.972 -6.542 1.00 0.00 C ATOM 1463 CG ARG A 98 7.065 -6.393 -5.092 1.00 0.00 C ATOM 1464 CD ARG A 98 7.795 -7.694 -4.798 1.00 0.00 C ATOM 1465 NE ARG A 98 9.192 -7.468 -4.435 1.00 0.00 N ATOM 1466 CZ ARG A 98 9.928 -8.345 -3.762 1.00 0.00 C ATOM 1467 NH1 ARG A 98 9.402 -9.501 -3.380 1.00 0.00 N ATOM 1468 NH2 ARG A 98 11.192 -8.067 -3.470 1.00 0.00 N ATOM 0 H ARG A 98 5.884 -3.265 -5.803 1.00 0.00 H new ATOM 0 HA ARG A 98 6.220 -4.899 -8.101 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.178 -6.855 -7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.239 -5.555 -6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.440 -5.608 -4.436 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.004 -6.512 -4.872 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.290 -8.218 -3.986 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.748 -8.342 -5.673 1.00 0.00 H new ATOM 0 HE ARG A 98 9.626 -6.588 -4.714 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.431 -9.718 -3.603 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.969 -10.173 -2.863 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.600 -7.179 -3.762 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.756 -8.741 -2.953 1.00 0.00 H new ATOM 1482 N LEU A 99 4.388 -6.551 -7.001 1.00 0.00 N ATOM 1483 CA LEU A 99 3.073 -7.072 -6.644 1.00 0.00 C ATOM 1484 C LEU A 99 3.149 -7.921 -5.379 1.00 0.00 C ATOM 1485 O LEU A 99 3.960 -8.843 -5.285 1.00 0.00 O ATOM 1486 CB LEU A 99 2.502 -7.902 -7.795 1.00 0.00 C ATOM 1487 CG LEU A 99 1.101 -8.476 -7.579 1.00 0.00 C ATOM 1488 CD1 LEU A 99 0.055 -7.375 -7.664 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.810 -9.570 -8.595 1.00 0.00 C ATOM 0 H LEU A 99 4.935 -7.165 -7.604 1.00 0.00 H new ATOM 0 HA LEU A 99 2.414 -6.225 -6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.484 -7.281 -8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.185 -8.728 -7.994 1.00 0.00 H new ATOM 0 HG LEU A 99 1.058 -8.914 -6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.936 -7.802 -7.508 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.252 -6.626 -6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.098 -6.908 -8.648 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.191 -9.967 -8.426 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.871 -9.157 -9.602 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.541 -10.371 -8.486 1.00 0.00 H new ATOM 1501 N TYR A 100 2.298 -7.605 -4.409 1.00 0.00 N ATOM 1502 CA TYR A 100 2.269 -8.338 -3.149 1.00 0.00 C ATOM 1503 C TYR A 100 0.930 -9.045 -2.961 1.00 0.00 C ATOM 1504 O TYR A 100 -0.132 -8.444 -3.131 1.00 0.00 O ATOM 1505 CB TYR A 100 2.527 -7.390 -1.977 1.00 0.00 C ATOM 1506 CG TYR A 100 3.874 -6.706 -2.037 1.00 0.00 C ATOM 1507 CD1 TYR A 100 5.044 -7.406 -1.770 1.00 0.00 C ATOM 1508 CD2 TYR A 100 3.977 -5.359 -2.361 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.277 -6.785 -1.823 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.206 -4.729 -2.418 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.352 -5.446 -2.148 1.00 0.00 C ATOM 1512 OH TYR A 100 7.579 -4.824 -2.203 1.00 0.00 O ATOM 0 H TYR A 100 1.619 -6.846 -4.471 1.00 0.00 H new ATOM 0 HA TYR A 100 3.056 -9.091 -3.178 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.744 -6.632 -1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.454 -7.950 -1.045 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.989 -8.454 -1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.081 -4.794 -2.572 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.177 -7.344 -1.611 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.268 -3.681 -2.673 1.00 0.00 H new ATOM 0 HH TYR A 100 7.458 -3.883 -2.447 1.00 0.00 H new ATOM 1522 N LEU A 101 0.989 -10.324 -2.607 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.219 -11.115 -2.394 1.00 0.00 C ATOM 1524 C LEU A 101 -0.378 -11.480 -0.921 1.00 0.00 C ATOM 1525 O LEU A 101 0.300 -12.376 -0.416 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.177 -12.385 -3.244 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.378 -13.322 -3.111 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.649 -12.630 -3.575 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.146 -14.602 -3.901 1.00 0.00 C ATOM 0 H LEU A 101 1.859 -10.836 -2.461 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.076 -10.512 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.082 -12.095 -4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.723 -12.942 -2.985 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.495 -13.584 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.493 -13.312 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.824 -11.743 -2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.543 -12.337 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.011 -15.257 -3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.002 -14.359 -4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.259 -15.108 -3.521 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.279 -10.782 -0.238 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.529 -11.034 1.177 1.00 0.00 C ATOM 1543 C LEU A 102 -2.878 -11.718 1.378 1.00 0.00 C ATOM 1544 O LEU A 102 -3.733 -11.696 0.494 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.487 -9.723 1.964 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.131 -9.018 2.021 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.058 -8.126 0.804 1.00 0.00 C ATOM 1548 CD2 LEU A 102 -0.006 -8.207 3.303 1.00 0.00 C ATOM 0 H LEU A 102 -1.848 -10.038 -0.641 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.747 -11.698 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.213 -9.037 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.813 -9.924 2.985 1.00 0.00 H new ATOM 0 HG LEU A 102 0.652 -9.776 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.028 -7.633 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.012 -8.731 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.731 -7.374 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.965 -7.712 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.797 -7.457 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.097 -8.870 4.163 1.00 0.00 H new ATOM 1560 N ALA A 103 -3.060 -12.322 2.547 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.306 -13.009 2.866 1.00 0.00 C ATOM 1562 C ALA A 103 -5.025 -12.330 4.027 1.00 0.00 C ATOM 1563 O ALA A 103 -4.390 -11.815 4.947 1.00 0.00 O ATOM 1564 CB ALA A 103 -4.035 -14.470 3.192 1.00 0.00 C ATOM 0 H ALA A 103 -2.361 -12.350 3.289 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.955 -12.958 1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.974 -14.970 3.428 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.572 -14.955 2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.365 -14.533 4.049 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.353 -12.332 3.976 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.158 -11.718 5.025 1.00 0.00 C ATOM 1572 C ALA A 104 -8.435 -12.514 5.273 1.00 0.00 C ATOM 1573 O ALA A 104 -8.958 -13.188 4.386 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.493 -10.280 4.658 1.00 0.00 C ATOM 0 H ALA A 104 -6.894 -12.752 3.220 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.575 -11.720 5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.094 -9.833 5.450 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.571 -9.711 4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.054 -10.264 3.723 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.951 -12.436 6.509 1.00 0.00 N ATOM 1581 CA PRO A 105 -10.173 -13.143 6.903 1.00 0.00 C ATOM 1582 C PRO A 105 -11.418 -12.561 6.242 1.00 0.00 C ATOM 1583 O PRO A 105 -11.762 -11.400 6.458 1.00 0.00 O ATOM 1584 CB PRO A 105 -10.228 -12.938 8.419 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.463 -11.683 8.660 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.380 -11.651 7.617 1.00 0.00 C ATOM 0 HA PRO A 105 -10.153 -14.190 6.601 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.256 -12.848 8.769 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.783 -13.780 8.949 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.110 -10.810 8.578 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -9.038 -11.671 9.664 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -8.148 -10.631 7.309 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.454 -12.091 7.986 1.00 0.00 H new ATOM 1594 N ALA A 106 -12.089 -13.377 5.435 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.297 -12.944 4.744 1.00 0.00 C ATOM 1596 C ALA A 106 -14.138 -12.029 5.629 1.00 0.00 C ATOM 1597 O ALA A 106 -14.866 -11.169 5.134 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.113 -14.149 4.302 1.00 0.00 C ATOM 0 H ALA A 106 -11.816 -14.341 5.244 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.998 -12.378 3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.012 -13.811 3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.518 -14.763 3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.395 -14.738 5.175 1.00 0.00 H new ATOM 1604 N ALA A 107 -14.032 -12.222 6.940 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.782 -11.413 7.893 1.00 0.00 C ATOM 1606 C ALA A 107 -14.422 -9.937 7.763 1.00 0.00 C ATOM 1607 O ALA A 107 -15.300 -9.085 7.630 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.526 -11.898 9.312 1.00 0.00 C ATOM 0 H ALA A 107 -13.435 -12.931 7.366 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.843 -11.522 7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.092 -11.285 10.014 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.840 -12.938 9.403 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.462 -11.819 9.537 1.00 0.00 H new ATOM 1614 N GLU A 108 -13.127 -9.643 7.803 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.653 -8.268 7.692 1.00 0.00 C ATOM 1616 C GLU A 108 -12.456 -7.878 6.230 1.00 0.00 C ATOM 1617 O GLU A 108 -12.690 -6.732 5.845 1.00 0.00 O ATOM 1618 CB GLU A 108 -11.340 -8.094 8.458 1.00 0.00 C ATOM 1619 CG GLU A 108 -11.449 -8.430 9.936 1.00 0.00 C ATOM 1620 CD GLU A 108 -10.102 -8.448 10.632 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -9.362 -7.449 10.519 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -9.788 -9.463 11.289 1.00 0.00 O ATOM 0 H GLU A 108 -12.388 -10.337 7.911 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.409 -7.614 8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.578 -8.728 8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.001 -7.063 8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.096 -7.701 10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.925 -9.404 10.049 1.00 0.00 H new ATOM 1629 N ARG A 109 -12.023 -8.839 5.420 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.793 -8.596 4.001 1.00 0.00 C ATOM 1631 C ARG A 109 -12.812 -7.605 3.446 1.00 0.00 C ATOM 1632 O ARG A 109 -12.450 -6.543 2.942 1.00 0.00 O ATOM 1633 CB ARG A 109 -11.864 -9.908 3.219 1.00 0.00 C ATOM 1634 CG ARG A 109 -11.156 -9.856 1.875 1.00 0.00 C ATOM 1635 CD ARG A 109 -12.077 -9.341 0.779 1.00 0.00 C ATOM 1636 NE ARG A 109 -13.349 -10.059 0.752 1.00 0.00 N ATOM 1637 CZ ARG A 109 -14.378 -9.701 -0.009 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -14.285 -8.642 -0.800 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -15.502 -10.405 0.022 1.00 0.00 N ATOM 0 H ARG A 109 -11.825 -9.793 5.722 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.797 -8.167 3.889 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.425 -10.704 3.821 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.910 -10.169 3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.280 -9.211 1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.798 -10.851 1.613 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.264 -8.278 0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.583 -9.442 -0.187 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.453 -10.879 1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.422 -8.099 -0.826 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.077 -8.370 -1.383 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.576 -11.221 0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.292 -10.130 -0.562 1.00 0.00 H new ATOM 1653 N GLY A 110 -14.090 -7.961 3.543 1.00 0.00 N ATOM 1654 CA GLY A 110 -15.141 -7.093 3.047 1.00 0.00 C ATOM 1655 C GLY A 110 -14.870 -5.630 3.335 1.00 0.00 C ATOM 1656 O GLY A 110 -15.080 -4.772 2.477 1.00 0.00 O ATOM 0 H GLY A 110 -14.415 -8.835 3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.247 -7.235 1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -16.089 -7.380 3.501 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.403 -5.344 4.545 1.00 0.00 N ATOM 1661 CA ASP A 111 -14.103 -3.973 4.944 1.00 0.00 C ATOM 1662 C ASP A 111 -12.697 -3.575 4.505 1.00 0.00 C ATOM 1663 O ASP A 111 -12.513 -2.572 3.816 1.00 0.00 O ATOM 1664 CB ASP A 111 -14.240 -3.820 6.460 1.00 0.00 C ATOM 1665 CG ASP A 111 -15.687 -3.738 6.905 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -16.463 -2.996 6.266 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -16.043 -4.415 7.892 1.00 0.00 O ATOM 0 H ASP A 111 -14.224 -6.042 5.267 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.818 -3.312 4.453 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.759 -4.665 6.953 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.713 -2.922 6.781 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.710 -4.366 4.909 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.321 -4.095 4.558 1.00 0.00 C ATOM 1674 C TRP A 112 -10.221 -3.483 3.166 1.00 0.00 C ATOM 1675 O TRP A 112 -9.935 -2.294 3.018 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.496 -5.382 4.624 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.927 -5.654 5.984 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -9.204 -6.721 6.789 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.986 -4.844 6.696 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -8.491 -6.623 7.960 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.736 -5.481 7.927 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.328 -3.644 6.413 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.858 -4.956 8.872 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.457 -3.124 7.352 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -6.228 -3.780 8.569 1.00 0.00 C ATOM 0 H TRP A 112 -11.846 -5.200 5.480 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.923 -3.380 5.278 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -10.123 -6.222 4.325 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.681 -5.320 3.903 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.883 -7.524 6.542 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -8.520 -7.292 8.729 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.497 -3.132 5.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.681 -5.459 9.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.944 -2.196 7.144 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.541 -3.349 9.282 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.458 -4.302 2.145 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.396 -3.840 0.764 1.00 0.00 C ATOM 1698 C VAL A 113 -11.114 -2.505 0.598 1.00 0.00 C ATOM 1699 O VAL A 113 -10.599 -1.588 -0.041 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.017 -4.868 -0.200 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.174 -4.270 -1.590 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.172 -6.132 -0.247 1.00 0.00 C ATOM 0 H VAL A 113 -10.695 -5.289 2.249 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.341 -3.715 0.519 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.008 -5.134 0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.614 -5.011 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.824 -3.396 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.197 -3.974 -1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.625 -6.848 -0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.168 -5.886 -0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.117 -6.570 0.750 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.305 -2.404 1.178 1.00 0.00 N ATOM 1713 CA GLN A 114 -13.094 -1.181 1.094 1.00 0.00 C ATOM 1714 C GLN A 114 -12.284 0.023 1.563 1.00 0.00 C ATOM 1715 O GLN A 114 -12.155 1.014 0.846 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.368 -1.312 1.931 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.397 -0.231 1.646 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.115 -0.442 0.327 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -15.556 -1.008 -0.613 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -17.360 0.013 0.250 1.00 0.00 N ATOM 0 H GLN A 114 -12.745 -3.154 1.711 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.368 -1.027 0.050 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.817 -2.288 1.744 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.103 -1.280 2.988 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.128 -0.209 2.454 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.904 0.741 1.636 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -17.784 0.476 1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -17.892 -0.101 -0.613 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.740 -0.071 2.772 1.00 0.00 N ATOM 1730 CA ALA A 115 -10.941 1.009 3.337 1.00 0.00 C ATOM 1731 C ALA A 115 -9.685 1.255 2.507 1.00 0.00 C ATOM 1732 O ALA A 115 -9.530 2.313 1.897 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.571 0.694 4.778 1.00 0.00 C ATOM 0 H ALA A 115 -11.838 -0.885 3.379 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.541 1.919 3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.974 1.509 5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.479 0.577 5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.994 -0.230 4.812 1.00 0.00 H new ATOM 1739 N ILE A 116 -8.792 0.271 2.490 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.550 0.381 1.734 1.00 0.00 C ATOM 1741 C ILE A 116 -7.797 0.984 0.355 1.00 0.00 C ATOM 1742 O ILE A 116 -6.994 1.775 -0.140 1.00 0.00 O ATOM 1743 CB ILE A 116 -6.869 -0.990 1.568 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.504 -1.572 2.935 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -5.632 -0.864 0.692 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.060 -3.016 2.878 1.00 0.00 C ATOM 0 H ILE A 116 -8.905 -0.611 2.991 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.892 1.038 2.302 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.568 -1.670 1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.707 -0.972 3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.366 -1.491 3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.162 -1.841 0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -5.919 -0.489 -0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -4.928 -0.172 1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -5.817 -3.362 3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -6.863 -3.628 2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.179 -3.101 2.242 1.00 0.00 H new ATOM 1758 N CYS A 117 -8.913 0.607 -0.258 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.267 1.111 -1.580 1.00 0.00 C ATOM 1760 C CYS A 117 -9.842 2.521 -1.488 1.00 0.00 C ATOM 1761 O CYS A 117 -9.630 3.348 -2.376 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.276 0.178 -2.251 1.00 0.00 C ATOM 1763 SG CYS A 117 -10.671 0.624 -3.959 1.00 0.00 S ATOM 0 H CYS A 117 -9.588 -0.046 0.139 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.360 1.147 -2.183 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -9.882 -0.838 -2.234 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.196 0.174 -1.666 1.00 0.00 H new ATOM 0 HG CYS A 117 -9.701 1.332 -4.458 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.572 2.787 -0.411 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.179 4.097 -0.203 1.00 0.00 C ATOM 1771 C LEU A 118 -10.111 5.170 -0.022 1.00 0.00 C ATOM 1772 O LEU A 118 -10.243 6.285 -0.529 1.00 0.00 O ATOM 1773 CB LEU A 118 -12.100 4.066 1.018 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.511 3.526 0.782 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -14.126 3.050 2.089 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -14.387 4.587 0.133 1.00 0.00 C ATOM 0 H LEU A 118 -10.758 2.113 0.332 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.767 4.342 -1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.626 3.461 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.182 5.079 1.412 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.445 2.675 0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.130 2.669 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.510 2.257 2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -14.179 3.882 2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.387 4.185 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.447 5.458 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.956 4.879 -0.824 1.00 0.00 H new ATOM 1788 N LEU A 119 -9.052 4.827 0.702 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.958 5.760 0.949 1.00 0.00 C ATOM 1790 C LEU A 119 -6.962 5.749 -0.206 1.00 0.00 C ATOM 1791 O LEU A 119 -6.762 6.762 -0.876 1.00 0.00 O ATOM 1792 CB LEU A 119 -7.245 5.408 2.256 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.827 6.029 3.526 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -7.306 5.308 4.760 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.495 7.513 3.594 1.00 0.00 C ATOM 0 H LEU A 119 -8.927 3.909 1.129 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.380 6.762 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.252 4.324 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.202 5.713 2.171 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.911 5.920 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.731 5.764 5.654 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.594 4.258 4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.219 5.385 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.917 7.939 4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.413 7.644 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.917 8.020 2.727 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.341 4.597 -0.434 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.369 4.453 -1.510 1.00 0.00 C ATOM 1809 C ALA A 120 -5.867 5.111 -2.792 1.00 0.00 C ATOM 1810 O ALA A 120 -5.093 5.721 -3.530 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.065 2.982 -1.754 1.00 0.00 C ATOM 0 H ALA A 120 -6.494 3.749 0.112 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.452 4.957 -1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.337 2.890 -2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.658 2.539 -0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -5.982 2.462 -2.031 1.00 0.00 H new ATOM 1817 N PHE A 121 -7.164 4.984 -3.051 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.766 5.565 -4.246 1.00 0.00 C ATOM 1819 C PHE A 121 -8.669 6.741 -3.882 1.00 0.00 C ATOM 1820 O PHE A 121 -9.775 6.872 -4.406 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.568 4.507 -5.006 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.806 3.236 -5.247 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.398 2.445 -4.185 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -7.497 2.832 -6.536 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -6.696 1.274 -4.404 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -6.796 1.662 -6.761 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.394 0.883 -5.694 1.00 0.00 C ATOM 0 H PHE A 121 -7.819 4.484 -2.450 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.963 5.930 -4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.474 4.277 -4.445 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.882 4.920 -5.964 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.631 2.747 -3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.807 3.438 -7.374 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.384 0.666 -3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -6.563 1.357 -7.771 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.844 -0.030 -5.868 1.00 0.00 H new ATOM 1837 N SER A 122 -8.189 7.592 -2.981 1.00 0.00 N ATOM 1838 CA SER A 122 -8.954 8.754 -2.544 1.00 0.00 C ATOM 1839 C SER A 122 -8.547 9.998 -3.327 1.00 0.00 C ATOM 1840 O SER A 122 -7.606 10.699 -2.956 1.00 0.00 O ATOM 1841 CB SER A 122 -8.749 8.990 -1.046 1.00 0.00 C ATOM 1842 OG SER A 122 -9.594 10.026 -0.574 1.00 0.00 O ATOM 0 H SER A 122 -7.274 7.499 -2.539 1.00 0.00 H new ATOM 0 HA SER A 122 -10.009 8.557 -2.733 1.00 0.00 H new ATOM 0 HB2 SER A 122 -8.954 8.070 -0.498 1.00 0.00 H new ATOM 0 HB3 SER A 122 -7.708 9.249 -0.854 1.00 0.00 H new ATOM 0 HG SER A 122 -9.446 10.157 0.386 1.00 0.00 H new ATOM 1848 N GLY A 123 -9.264 10.266 -4.414 1.00 0.00 N ATOM 1849 CA GLY A 123 -8.963 11.425 -5.234 1.00 0.00 C ATOM 1850 C GLY A 123 -9.481 11.283 -6.651 1.00 0.00 C ATOM 1851 O GLY A 123 -10.684 11.336 -6.904 1.00 0.00 O ATOM 0 H GLY A 123 -10.048 9.701 -4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.401 12.313 -4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -7.884 11.579 -5.259 1.00 0.00 H new ATOM 1855 N PRO A 124 -8.557 11.099 -7.607 1.00 0.00 N ATOM 1856 CA PRO A 124 -8.903 10.947 -9.023 1.00 0.00 C ATOM 1857 C PRO A 124 -9.604 9.623 -9.309 1.00 0.00 C ATOM 1858 O PRO A 124 -9.680 8.750 -8.445 1.00 0.00 O ATOM 1859 CB PRO A 124 -7.545 10.996 -9.727 1.00 0.00 C ATOM 1860 CG PRO A 124 -6.568 10.544 -8.698 1.00 0.00 C ATOM 1861 CD PRO A 124 -7.105 11.026 -7.378 1.00 0.00 C ATOM 0 HA PRO A 124 -9.600 11.716 -9.357 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -7.529 10.345 -10.601 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -7.316 12.003 -10.075 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -6.467 9.459 -8.706 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -5.578 10.957 -8.891 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -6.860 10.338 -6.569 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -6.692 11.997 -7.107 1.00 0.00 H new ATOM 1869 N SER A 125 -10.116 9.481 -10.528 1.00 0.00 N ATOM 1870 CA SER A 125 -10.814 8.264 -10.926 1.00 0.00 C ATOM 1871 C SER A 125 -9.829 7.210 -11.422 1.00 0.00 C ATOM 1872 O SER A 125 -9.140 7.410 -12.422 1.00 0.00 O ATOM 1873 CB SER A 125 -11.839 8.574 -12.019 1.00 0.00 C ATOM 1874 OG SER A 125 -11.200 8.873 -13.248 1.00 0.00 O ATOM 0 H SER A 125 -10.060 10.193 -11.256 1.00 0.00 H new ATOM 0 HA SER A 125 -11.332 7.869 -10.052 1.00 0.00 H new ATOM 0 HB2 SER A 125 -12.505 7.721 -12.150 1.00 0.00 H new ATOM 0 HB3 SER A 125 -12.458 9.417 -11.713 1.00 0.00 H new ATOM 0 HG SER A 125 -10.302 8.482 -13.253 1.00 0.00 H new ATOM 1880 N SER A 126 -9.768 6.087 -10.714 1.00 0.00 N ATOM 1881 CA SER A 126 -8.865 5.002 -11.078 1.00 0.00 C ATOM 1882 C SER A 126 -9.613 3.898 -11.819 1.00 0.00 C ATOM 1883 O SER A 126 -9.278 3.559 -12.953 1.00 0.00 O ATOM 1884 CB SER A 126 -8.193 4.428 -9.829 1.00 0.00 C ATOM 1885 OG SER A 126 -7.227 5.326 -9.311 1.00 0.00 O ATOM 0 H SER A 126 -10.333 5.905 -9.885 1.00 0.00 H new ATOM 0 HA SER A 126 -8.100 5.407 -11.740 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.947 4.222 -9.069 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.717 3.478 -10.072 1.00 0.00 H new ATOM 0 HG SER A 126 -6.813 4.937 -8.512 1.00 0.00 H new ATOM 1891 N GLY A 127 -10.630 3.340 -11.169 1.00 0.00 N ATOM 1892 CA GLY A 127 -11.410 2.281 -11.780 1.00 0.00 C ATOM 1893 C GLY A 127 -11.294 0.968 -11.031 1.00 0.00 C ATOM 1894 O GLY A 127 -11.543 -0.099 -11.592 1.00 0.00 O ATOM 0 H GLY A 127 -10.927 3.603 -10.229 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -12.457 2.582 -11.819 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -11.080 2.139 -12.809 1.00 0.00 H new TER 1898 GLY A 127