USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 862 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 80 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 98 TYR OH : rot 110:sc= -0.868 USER MOD Set 2.1: A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.065 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.188 USER MOD Single : A 5 SER OG : rot 33:sc= 0.764 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 96:sc= 1.12 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -12:sc= 0.104 USER MOD Single : A 27 SER OG : rot 31:sc= 0.0787 USER MOD Single : A 32 SER OG : rot -128:sc= 0.363 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -54:sc= 0.107 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -116:sc= -1.03 (180deg=-3.12!) USER MOD Single : A 73 HIS : no HD1:sc=-0.00692 X(o=-0.0069,f=-0.025) USER MOD Single : A 76 LYS NZ :NH3+ 151:sc= -0.102 (180deg=-1.1) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.994 USER MOD Single : A 84 TYR OH : rot 112:sc= -3.03! USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 165:sc= -0.0713 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -131:sc= -3.81! USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.0133 K(o=-0.013,f=-1.2) USER MOD Single : A 115 THR OG1 : rot 180:sc=-0.00274 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.389 0.181 -23.012 1.00 0.00 N ATOM 2 CA GLY A 1 -25.168 -1.044 -23.759 1.00 0.00 C ATOM 3 C GLY A 1 -25.201 -2.275 -22.876 1.00 0.00 C ATOM 4 O GLY A 1 -25.712 -2.231 -21.757 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.127 0.745 -23.480 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.693 -0.052 -22.045 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.506 0.729 -22.975 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.929 -1.136 -24.534 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.204 -0.989 -24.264 1.00 0.00 H new ATOM 8 N SER A 2 -24.656 -3.378 -23.380 1.00 0.00 N ATOM 9 CA SER A 2 -24.629 -4.629 -22.631 1.00 0.00 C ATOM 10 C SER A 2 -23.320 -5.375 -22.866 1.00 0.00 C ATOM 11 O SER A 2 -22.479 -4.942 -23.653 1.00 0.00 O ATOM 12 CB SER A 2 -25.812 -5.512 -23.031 1.00 0.00 C ATOM 13 OG SER A 2 -27.039 -4.949 -22.600 1.00 0.00 O ATOM 0 H SER A 2 -24.227 -3.431 -24.304 1.00 0.00 H new ATOM 0 HA SER A 2 -24.705 -4.391 -21.570 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.826 -5.637 -24.114 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.692 -6.505 -22.597 1.00 0.00 H new ATOM 0 HG SER A 2 -27.779 -5.532 -22.870 1.00 0.00 H new ATOM 19 N SER A 3 -23.155 -6.499 -22.176 1.00 0.00 N ATOM 20 CA SER A 3 -21.946 -7.305 -22.306 1.00 0.00 C ATOM 21 C SER A 3 -22.273 -8.793 -22.218 1.00 0.00 C ATOM 22 O SER A 3 -23.382 -9.175 -21.847 1.00 0.00 O ATOM 23 CB SER A 3 -20.937 -6.928 -21.219 1.00 0.00 C ATOM 24 OG SER A 3 -19.723 -7.639 -21.382 1.00 0.00 O ATOM 0 H SER A 3 -23.843 -6.872 -21.522 1.00 0.00 H new ATOM 0 HA SER A 3 -21.508 -7.104 -23.284 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.742 -5.856 -21.255 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.359 -7.142 -20.237 1.00 0.00 H new ATOM 0 HG SER A 3 -19.094 -7.379 -20.676 1.00 0.00 H new ATOM 30 N GLY A 4 -21.298 -9.628 -22.564 1.00 0.00 N ATOM 31 CA GLY A 4 -21.501 -11.064 -22.518 1.00 0.00 C ATOM 32 C GLY A 4 -21.675 -11.580 -21.103 1.00 0.00 C ATOM 33 O GLY A 4 -22.197 -10.877 -20.238 1.00 0.00 O ATOM 0 H GLY A 4 -20.372 -9.336 -22.875 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.381 -11.322 -23.106 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.650 -11.563 -22.981 1.00 0.00 H new ATOM 37 N SER A 5 -21.239 -12.814 -20.867 1.00 0.00 N ATOM 38 CA SER A 5 -21.355 -13.426 -19.548 1.00 0.00 C ATOM 39 C SER A 5 -20.293 -14.504 -19.355 1.00 0.00 C ATOM 40 O SER A 5 -20.298 -15.526 -20.042 1.00 0.00 O ATOM 41 CB SER A 5 -22.749 -14.027 -19.363 1.00 0.00 C ATOM 42 OG SER A 5 -22.975 -15.084 -20.280 1.00 0.00 O ATOM 0 H SER A 5 -20.803 -13.409 -21.571 1.00 0.00 H new ATOM 0 HA SER A 5 -21.200 -12.650 -18.799 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.856 -14.397 -18.343 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.504 -13.253 -19.502 1.00 0.00 H new ATOM 0 HG SER A 5 -22.132 -15.551 -20.455 1.00 0.00 H new ATOM 48 N SER A 6 -19.383 -14.269 -18.415 1.00 0.00 N ATOM 49 CA SER A 6 -18.312 -15.217 -18.133 1.00 0.00 C ATOM 50 C SER A 6 -18.665 -16.095 -16.936 1.00 0.00 C ATOM 51 O SER A 6 -19.629 -15.828 -16.219 1.00 0.00 O ATOM 52 CB SER A 6 -17.001 -14.474 -17.867 1.00 0.00 C ATOM 53 OG SER A 6 -16.309 -14.213 -19.075 1.00 0.00 O ATOM 0 H SER A 6 -19.366 -13.430 -17.836 1.00 0.00 H new ATOM 0 HA SER A 6 -18.187 -15.857 -19.006 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.209 -13.535 -17.353 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.371 -15.067 -17.204 1.00 0.00 H new ATOM 0 HG SER A 6 -15.476 -13.736 -18.878 1.00 0.00 H new ATOM 59 N GLY A 7 -17.876 -17.144 -16.726 1.00 0.00 N ATOM 60 CA GLY A 7 -18.120 -18.046 -15.615 1.00 0.00 C ATOM 61 C GLY A 7 -16.851 -18.399 -14.865 1.00 0.00 C ATOM 62 O GLY A 7 -15.987 -19.100 -15.391 1.00 0.00 O ATOM 0 H GLY A 7 -17.072 -17.386 -17.305 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.829 -17.586 -14.927 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.584 -18.959 -15.988 1.00 0.00 H new ATOM 66 N ARG A 8 -16.738 -17.911 -13.635 1.00 0.00 N ATOM 67 CA ARG A 8 -15.564 -18.177 -12.812 1.00 0.00 C ATOM 68 C ARG A 8 -15.969 -18.723 -11.446 1.00 0.00 C ATOM 69 O ARG A 8 -17.118 -18.585 -11.027 1.00 0.00 O ATOM 70 CB ARG A 8 -14.737 -16.901 -12.638 1.00 0.00 C ATOM 71 CG ARG A 8 -13.249 -17.159 -12.470 1.00 0.00 C ATOM 72 CD ARG A 8 -12.612 -17.622 -13.771 1.00 0.00 C ATOM 73 NE ARG A 8 -11.258 -18.129 -13.568 1.00 0.00 N ATOM 74 CZ ARG A 8 -10.553 -18.742 -14.512 1.00 0.00 C ATOM 75 NH1 ARG A 8 -11.072 -18.924 -15.719 1.00 0.00 N ATOM 76 NH2 ARG A 8 -9.326 -19.175 -14.251 1.00 0.00 N ATOM 0 H ARG A 8 -17.445 -17.329 -13.186 1.00 0.00 H new ATOM 0 HA ARG A 8 -14.959 -18.928 -13.319 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -14.890 -16.258 -13.504 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -15.103 -16.356 -11.768 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -12.757 -16.249 -12.127 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -13.095 -17.914 -11.699 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.228 -18.402 -14.218 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.586 -16.792 -14.477 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.830 -18.006 -12.650 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.015 -18.593 -15.924 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.528 -19.395 -16.442 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.923 -19.037 -13.324 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.786 -19.646 -14.977 1.00 0.00 H new ATOM 90 N SER A 9 -15.018 -19.345 -10.757 1.00 0.00 N ATOM 91 CA SER A 9 -15.276 -19.916 -9.441 1.00 0.00 C ATOM 92 C SER A 9 -16.296 -21.047 -9.530 1.00 0.00 C ATOM 93 O SER A 9 -17.325 -21.044 -8.853 1.00 0.00 O ATOM 94 CB SER A 9 -15.779 -18.835 -8.482 1.00 0.00 C ATOM 95 OG SER A 9 -14.701 -18.213 -7.804 1.00 0.00 O ATOM 0 H SER A 9 -14.061 -19.466 -11.089 1.00 0.00 H new ATOM 0 HA SER A 9 -14.340 -20.323 -9.059 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.344 -18.086 -9.037 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.462 -19.277 -7.757 1.00 0.00 H new ATOM 0 HG SER A 9 -15.049 -17.525 -7.199 1.00 0.00 H new ATOM 101 N PRO A 10 -16.007 -22.037 -10.387 1.00 0.00 N ATOM 102 CA PRO A 10 -16.885 -23.194 -10.586 1.00 0.00 C ATOM 103 C PRO A 10 -16.911 -24.118 -9.373 1.00 0.00 C ATOM 104 O PRO A 10 -16.056 -24.027 -8.492 1.00 0.00 O ATOM 105 CB PRO A 10 -16.264 -23.908 -11.789 1.00 0.00 C ATOM 106 CG PRO A 10 -14.830 -23.508 -11.768 1.00 0.00 C ATOM 107 CD PRO A 10 -14.799 -22.105 -11.226 1.00 0.00 C ATOM 0 HA PRO A 10 -17.922 -22.897 -10.738 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -16.375 -24.989 -11.708 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -16.745 -23.607 -12.720 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.246 -24.182 -11.141 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.399 -23.550 -12.768 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.896 -21.918 -10.646 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.823 -21.365 -12.026 1.00 0.00 H new ATOM 115 N PHE A 11 -17.898 -25.007 -9.333 1.00 0.00 N ATOM 116 CA PHE A 11 -18.035 -25.948 -8.228 1.00 0.00 C ATOM 117 C PHE A 11 -16.919 -26.988 -8.256 1.00 0.00 C ATOM 118 O PHE A 11 -16.921 -27.896 -9.088 1.00 0.00 O ATOM 119 CB PHE A 11 -19.397 -26.643 -8.288 1.00 0.00 C ATOM 120 CG PHE A 11 -19.495 -27.677 -9.373 1.00 0.00 C ATOM 121 CD1 PHE A 11 -19.667 -27.299 -10.695 1.00 0.00 C ATOM 122 CD2 PHE A 11 -19.415 -29.027 -9.071 1.00 0.00 C ATOM 123 CE1 PHE A 11 -19.757 -28.247 -11.696 1.00 0.00 C ATOM 124 CE2 PHE A 11 -19.504 -29.980 -10.068 1.00 0.00 C ATOM 125 CZ PHE A 11 -19.676 -29.590 -11.382 1.00 0.00 C ATOM 0 H PHE A 11 -18.615 -25.095 -10.053 1.00 0.00 H new ATOM 0 HA PHE A 11 -17.961 -25.388 -7.296 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.597 -27.116 -7.327 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -20.173 -25.893 -8.441 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -19.731 -26.251 -10.946 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -19.282 -29.338 -8.045 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -19.890 -27.939 -12.722 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -19.439 -31.029 -9.820 1.00 0.00 H new ATOM 0 HZ PHE A 11 -19.747 -30.333 -12.162 1.00 0.00 H new ATOM 135 N LYS A 12 -15.965 -26.848 -7.342 1.00 0.00 N ATOM 136 CA LYS A 12 -14.842 -27.774 -7.260 1.00 0.00 C ATOM 137 C LYS A 12 -14.358 -27.917 -5.820 1.00 0.00 C ATOM 138 O LYS A 12 -14.898 -27.291 -4.908 1.00 0.00 O ATOM 139 CB LYS A 12 -13.693 -27.295 -8.150 1.00 0.00 C ATOM 140 CG LYS A 12 -13.748 -27.848 -9.564 1.00 0.00 C ATOM 141 CD LYS A 12 -14.518 -26.925 -10.494 1.00 0.00 C ATOM 142 CE LYS A 12 -14.975 -27.653 -11.749 1.00 0.00 C ATOM 143 NZ LYS A 12 -13.935 -27.628 -12.814 1.00 0.00 N ATOM 0 H LYS A 12 -15.947 -26.102 -6.647 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.182 -28.749 -7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.708 -26.206 -8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.746 -27.583 -7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.735 -27.984 -9.942 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -14.219 -28.831 -9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.384 -26.520 -9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.889 -26.079 -10.771 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.217 -28.687 -11.502 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.889 -27.193 -12.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.285 -28.134 -13.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.722 -26.642 -13.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.071 -28.090 -12.466 1.00 0.00 H new ATOM 157 N VAL A 13 -13.335 -28.743 -5.623 1.00 0.00 N ATOM 158 CA VAL A 13 -12.777 -28.965 -4.295 1.00 0.00 C ATOM 159 C VAL A 13 -12.288 -27.659 -3.679 1.00 0.00 C ATOM 160 O VAL A 13 -11.619 -26.861 -4.336 1.00 0.00 O ATOM 161 CB VAL A 13 -11.609 -29.968 -4.337 1.00 0.00 C ATOM 162 CG1 VAL A 13 -11.061 -30.210 -2.939 1.00 0.00 C ATOM 163 CG2 VAL A 13 -12.053 -31.275 -4.979 1.00 0.00 C ATOM 0 H VAL A 13 -12.876 -29.269 -6.367 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.578 -29.376 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.810 -29.544 -4.945 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.237 -30.921 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.703 -29.269 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.850 -30.613 -2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.216 -31.973 -5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.869 -31.706 -4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.392 -31.084 -5.997 1.00 0.00 H new ATOM 173 N LYS A 14 -12.626 -27.446 -2.411 1.00 0.00 N ATOM 174 CA LYS A 14 -12.221 -26.238 -1.703 1.00 0.00 C ATOM 175 C LYS A 14 -11.057 -26.524 -0.761 1.00 0.00 C ATOM 176 O LYS A 14 -11.198 -27.271 0.207 1.00 0.00 O ATOM 177 CB LYS A 14 -13.401 -25.664 -0.915 1.00 0.00 C ATOM 178 CG LYS A 14 -14.547 -25.193 -1.792 1.00 0.00 C ATOM 179 CD LYS A 14 -15.490 -24.275 -1.032 1.00 0.00 C ATOM 180 CE LYS A 14 -16.383 -23.486 -1.978 1.00 0.00 C ATOM 181 NZ LYS A 14 -16.966 -22.285 -1.318 1.00 0.00 N ATOM 0 H LYS A 14 -13.180 -28.096 -1.853 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.895 -25.506 -2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.770 -26.423 -0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.050 -24.828 -0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.150 -24.669 -2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.099 -26.056 -2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.107 -24.866 -0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.911 -23.586 -0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.806 -23.177 -2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -17.186 -24.128 -2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.568 -21.775 -1.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.538 -22.581 -0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.200 -21.660 -0.996 1.00 0.00 H new ATOM 195 N VAL A 15 -9.906 -25.923 -1.049 1.00 0.00 N ATOM 196 CA VAL A 15 -8.718 -26.112 -0.226 1.00 0.00 C ATOM 197 C VAL A 15 -8.108 -24.773 0.173 1.00 0.00 C ATOM 198 O VAL A 15 -8.035 -23.846 -0.635 1.00 0.00 O ATOM 199 CB VAL A 15 -7.654 -26.951 -0.959 1.00 0.00 C ATOM 200 CG1 VAL A 15 -8.186 -28.344 -1.258 1.00 0.00 C ATOM 201 CG2 VAL A 15 -7.214 -26.253 -2.237 1.00 0.00 C ATOM 0 H VAL A 15 -9.772 -25.301 -1.846 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.035 -26.645 0.670 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.784 -27.052 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.421 -28.922 -1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.447 -28.842 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.072 -28.268 -1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.462 -26.859 -2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.074 -26.120 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.790 -25.279 -1.992 1.00 0.00 H new ATOM 211 N LEU A 16 -7.669 -24.678 1.423 1.00 0.00 N ATOM 212 CA LEU A 16 -7.063 -23.451 1.930 1.00 0.00 C ATOM 213 C LEU A 16 -5.952 -22.969 1.003 1.00 0.00 C ATOM 214 O LEU A 16 -5.160 -23.754 0.483 1.00 0.00 O ATOM 215 CB LEU A 16 -6.507 -23.678 3.337 1.00 0.00 C ATOM 216 CG LEU A 16 -5.388 -24.713 3.458 1.00 0.00 C ATOM 217 CD1 LEU A 16 -4.651 -24.551 4.778 1.00 0.00 C ATOM 218 CD2 LEU A 16 -5.949 -26.122 3.327 1.00 0.00 C ATOM 0 H LEU A 16 -7.721 -25.435 2.104 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.835 -22.683 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.137 -22.726 3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.328 -23.983 3.986 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.678 -24.549 2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.858 -25.296 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.216 -23.553 4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.349 -24.688 5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.139 -26.846 3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.680 -26.297 4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.430 -26.233 2.355 1.00 0.00 H new ATOM 230 N PRO A 17 -5.890 -21.646 0.792 1.00 0.00 N ATOM 231 CA PRO A 17 -4.878 -21.029 -0.071 1.00 0.00 C ATOM 232 C PRO A 17 -3.480 -21.097 0.535 1.00 0.00 C ATOM 233 O PRO A 17 -3.324 -21.249 1.747 1.00 0.00 O ATOM 234 CB PRO A 17 -5.344 -19.575 -0.179 1.00 0.00 C ATOM 235 CG PRO A 17 -6.141 -19.339 1.057 1.00 0.00 C ATOM 236 CD PRO A 17 -6.802 -20.650 1.379 1.00 0.00 C ATOM 0 HA PRO A 17 -4.796 -21.537 -1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.497 -18.892 -0.240 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -5.946 -19.418 -1.074 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.502 -19.012 1.877 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.883 -18.556 0.900 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.912 -20.791 2.454 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.800 -20.714 0.945 1.00 0.00 H new ATOM 244 N THR A 18 -2.465 -20.983 -0.316 1.00 0.00 N ATOM 245 CA THR A 18 -1.080 -21.033 0.135 1.00 0.00 C ATOM 246 C THR A 18 -0.609 -19.664 0.615 1.00 0.00 C ATOM 247 O THR A 18 0.273 -19.565 1.468 1.00 0.00 O ATOM 248 CB THR A 18 -0.142 -21.522 -0.984 1.00 0.00 C ATOM 249 OG1 THR A 18 -0.641 -22.742 -1.543 1.00 0.00 O ATOM 250 CG2 THR A 18 1.266 -21.741 -0.452 1.00 0.00 C ATOM 0 H THR A 18 -2.576 -20.855 -1.322 1.00 0.00 H new ATOM 0 HA THR A 18 -1.043 -21.739 0.964 1.00 0.00 H new ATOM 0 HB THR A 18 -0.106 -20.756 -1.759 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.040 -23.046 -2.255 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.911 -22.086 -1.260 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.654 -20.804 -0.053 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.244 -22.490 0.339 1.00 0.00 H new ATOM 258 N TYR A 19 -1.204 -18.612 0.063 1.00 0.00 N ATOM 259 CA TYR A 19 -0.843 -17.249 0.434 1.00 0.00 C ATOM 260 C TYR A 19 -1.293 -16.935 1.858 1.00 0.00 C ATOM 261 O TYR A 19 -2.211 -17.565 2.384 1.00 0.00 O ATOM 262 CB TYR A 19 -1.467 -16.251 -0.542 1.00 0.00 C ATOM 263 CG TYR A 19 -2.871 -15.833 -0.167 1.00 0.00 C ATOM 264 CD1 TYR A 19 -3.092 -14.791 0.726 1.00 0.00 C ATOM 265 CD2 TYR A 19 -3.976 -16.479 -0.705 1.00 0.00 C ATOM 266 CE1 TYR A 19 -4.372 -14.407 1.073 1.00 0.00 C ATOM 267 CE2 TYR A 19 -5.261 -16.101 -0.366 1.00 0.00 C ATOM 268 CZ TYR A 19 -5.454 -15.065 0.524 1.00 0.00 C ATOM 269 OH TYR A 19 -6.731 -14.684 0.865 1.00 0.00 O ATOM 0 H TYR A 19 -1.938 -18.677 -0.642 1.00 0.00 H new ATOM 0 HA TYR A 19 0.243 -17.162 0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.835 -15.364 -0.595 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.482 -16.692 -1.539 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.248 -14.273 1.156 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.828 -17.292 -1.401 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.526 -13.596 1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.109 -16.614 -0.795 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.076 -14.058 0.194 1.00 0.00 H new ATOM 279 N ASP A 20 -0.641 -15.956 2.475 1.00 0.00 N ATOM 280 CA ASP A 20 -0.975 -15.555 3.837 1.00 0.00 C ATOM 281 C ASP A 20 -0.655 -14.081 4.063 1.00 0.00 C ATOM 282 O ASP A 20 0.482 -13.647 3.879 1.00 0.00 O ATOM 283 CB ASP A 20 -0.212 -16.416 4.845 1.00 0.00 C ATOM 284 CG ASP A 20 -0.980 -17.662 5.240 1.00 0.00 C ATOM 285 OD1 ASP A 20 -2.033 -17.527 5.897 1.00 0.00 O ATOM 286 OD2 ASP A 20 -0.527 -18.773 4.892 1.00 0.00 O ATOM 0 H ASP A 20 0.122 -15.425 2.054 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.045 -15.702 3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.749 -16.705 4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.000 -15.825 5.736 1.00 0.00 H new ATOM 291 N ALA A 21 -1.665 -13.315 4.462 1.00 0.00 N ATOM 292 CA ALA A 21 -1.491 -11.890 4.714 1.00 0.00 C ATOM 293 C ALA A 21 -0.615 -11.652 5.939 1.00 0.00 C ATOM 294 O ALA A 21 0.337 -10.874 5.891 1.00 0.00 O ATOM 295 CB ALA A 21 -2.844 -11.217 4.891 1.00 0.00 C ATOM 0 H ALA A 21 -2.613 -13.658 4.618 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.989 -11.452 3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.699 -10.153 5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.437 -11.349 3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.366 -11.667 5.736 1.00 0.00 H new ATOM 301 N SER A 22 -0.944 -12.327 7.036 1.00 0.00 N ATOM 302 CA SER A 22 -0.189 -12.185 8.276 1.00 0.00 C ATOM 303 C SER A 22 1.310 -12.300 8.015 1.00 0.00 C ATOM 304 O SER A 22 2.122 -11.696 8.716 1.00 0.00 O ATOM 305 CB SER A 22 -0.625 -13.246 9.287 1.00 0.00 C ATOM 306 OG SER A 22 -0.145 -12.942 10.585 1.00 0.00 O ATOM 0 H SER A 22 -1.728 -12.977 7.091 1.00 0.00 H new ATOM 0 HA SER A 22 -0.394 -11.196 8.687 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.713 -13.311 9.304 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.252 -14.222 8.978 1.00 0.00 H new ATOM 0 HG SER A 22 -0.439 -13.635 11.213 1.00 0.00 H new ATOM 312 N LYS A 23 1.669 -13.080 7.002 1.00 0.00 N ATOM 313 CA LYS A 23 3.070 -13.275 6.645 1.00 0.00 C ATOM 314 C LYS A 23 3.553 -12.168 5.713 1.00 0.00 C ATOM 315 O LYS A 23 4.444 -12.381 4.890 1.00 0.00 O ATOM 316 CB LYS A 23 3.262 -14.639 5.978 1.00 0.00 C ATOM 317 CG LYS A 23 3.072 -15.811 6.924 1.00 0.00 C ATOM 318 CD LYS A 23 4.119 -15.814 8.025 1.00 0.00 C ATOM 319 CE LYS A 23 3.950 -17.010 8.951 1.00 0.00 C ATOM 320 NZ LYS A 23 5.027 -17.072 9.978 1.00 0.00 N ATOM 0 H LYS A 23 1.009 -13.588 6.413 1.00 0.00 H new ATOM 0 HA LYS A 23 3.661 -13.239 7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.557 -14.732 5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.263 -14.687 5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.077 -15.765 7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.129 -16.745 6.364 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.115 -15.833 7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.045 -14.892 8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.980 -16.953 9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.955 -17.928 8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.877 -17.900 10.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.951 -17.152 9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.006 -16.207 10.555 1.00 0.00 H new ATOM 334 N VAL A 24 2.962 -10.986 5.849 1.00 0.00 N ATOM 335 CA VAL A 24 3.334 -9.845 5.021 1.00 0.00 C ATOM 336 C VAL A 24 3.929 -8.724 5.866 1.00 0.00 C ATOM 337 O VAL A 24 3.352 -8.318 6.876 1.00 0.00 O ATOM 338 CB VAL A 24 2.124 -9.298 4.242 1.00 0.00 C ATOM 339 CG1 VAL A 24 2.481 -7.993 3.548 1.00 0.00 C ATOM 340 CG2 VAL A 24 1.629 -10.328 3.237 1.00 0.00 C ATOM 0 H VAL A 24 2.223 -10.793 6.525 1.00 0.00 H new ATOM 0 HA VAL A 24 4.083 -10.199 4.312 1.00 0.00 H new ATOM 0 HB VAL A 24 1.319 -9.097 4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.613 -7.622 3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.784 -7.256 4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.302 -8.164 2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.773 -9.925 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.427 -10.562 2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.331 -11.235 3.763 1.00 0.00 H new ATOM 350 N THR A 25 5.088 -8.225 5.447 1.00 0.00 N ATOM 351 CA THR A 25 5.762 -7.151 6.165 1.00 0.00 C ATOM 352 C THR A 25 6.378 -6.145 5.198 1.00 0.00 C ATOM 353 O THR A 25 6.923 -6.521 4.161 1.00 0.00 O ATOM 354 CB THR A 25 6.865 -7.699 7.089 1.00 0.00 C ATOM 355 OG1 THR A 25 7.861 -8.376 6.315 1.00 0.00 O ATOM 356 CG2 THR A 25 6.282 -8.652 8.121 1.00 0.00 C ATOM 0 H THR A 25 5.579 -8.548 4.614 1.00 0.00 H new ATOM 0 HA THR A 25 5.005 -6.652 6.771 1.00 0.00 H new ATOM 0 HB THR A 25 7.322 -6.858 7.612 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.531 -8.508 5.402 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.080 -9.026 8.762 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.546 -8.125 8.728 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.802 -9.489 7.613 1.00 0.00 H new ATOM 364 N ALA A 26 6.288 -4.866 5.546 1.00 0.00 N ATOM 365 CA ALA A 26 6.839 -3.807 4.710 1.00 0.00 C ATOM 366 C ALA A 26 7.726 -2.871 5.523 1.00 0.00 C ATOM 367 O ALA A 26 7.523 -2.695 6.725 1.00 0.00 O ATOM 368 CB ALA A 26 5.718 -3.025 4.041 1.00 0.00 C ATOM 0 H ALA A 26 5.839 -4.538 6.401 1.00 0.00 H new ATOM 0 HA ALA A 26 7.455 -4.271 3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.144 -2.237 3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.126 -3.697 3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.079 -2.580 4.804 1.00 0.00 H new ATOM 374 N SER A 27 8.712 -2.273 4.861 1.00 0.00 N ATOM 375 CA SER A 27 9.633 -1.358 5.525 1.00 0.00 C ATOM 376 C SER A 27 10.111 -0.275 4.562 1.00 0.00 C ATOM 377 O SER A 27 9.995 -0.415 3.345 1.00 0.00 O ATOM 378 CB SER A 27 10.834 -2.126 6.082 1.00 0.00 C ATOM 379 OG SER A 27 10.583 -2.575 7.403 1.00 0.00 O ATOM 0 H SER A 27 8.893 -2.406 3.866 1.00 0.00 H new ATOM 0 HA SER A 27 9.102 -0.880 6.348 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.054 -2.979 5.440 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.716 -1.485 6.074 1.00 0.00 H new ATOM 0 HG SER A 27 9.625 -2.748 7.513 1.00 0.00 H new ATOM 385 N GLY A 28 10.649 0.806 5.118 1.00 0.00 N ATOM 386 CA GLY A 28 11.136 1.898 4.295 1.00 0.00 C ATOM 387 C GLY A 28 10.697 3.254 4.812 1.00 0.00 C ATOM 388 O GLY A 28 10.114 3.372 5.890 1.00 0.00 O ATOM 0 H GLY A 28 10.756 0.945 6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.225 1.862 4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.777 1.768 3.274 1.00 0.00 H new ATOM 392 N PRO A 29 10.980 4.309 4.033 1.00 0.00 N ATOM 393 CA PRO A 29 10.620 5.682 4.399 1.00 0.00 C ATOM 394 C PRO A 29 9.115 5.921 4.343 1.00 0.00 C ATOM 395 O PRO A 29 8.564 6.663 5.155 1.00 0.00 O ATOM 396 CB PRO A 29 11.335 6.529 3.343 1.00 0.00 C ATOM 397 CG PRO A 29 11.488 5.623 2.170 1.00 0.00 C ATOM 398 CD PRO A 29 11.672 4.242 2.735 1.00 0.00 C ATOM 0 HA PRO A 29 10.908 5.920 5.423 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.754 7.415 3.086 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.303 6.877 3.704 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.610 5.667 1.526 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.345 5.913 1.562 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.237 3.481 2.087 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.727 3.994 2.854 1.00 0.00 H new ATOM 406 N GLY A 30 8.454 5.286 3.380 1.00 0.00 N ATOM 407 CA GLY A 30 7.018 5.443 3.237 1.00 0.00 C ATOM 408 C GLY A 30 6.271 5.125 4.517 1.00 0.00 C ATOM 409 O GLY A 30 5.208 5.688 4.780 1.00 0.00 O ATOM 0 H GLY A 30 8.887 4.666 2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.796 6.466 2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.662 4.790 2.440 1.00 0.00 H new ATOM 413 N LEU A 31 6.824 4.218 5.314 1.00 0.00 N ATOM 414 CA LEU A 31 6.202 3.824 6.573 1.00 0.00 C ATOM 415 C LEU A 31 7.086 4.198 7.758 1.00 0.00 C ATOM 416 O LEU A 31 7.057 3.542 8.799 1.00 0.00 O ATOM 417 CB LEU A 31 5.930 2.318 6.581 1.00 0.00 C ATOM 418 CG LEU A 31 5.257 1.751 5.330 1.00 0.00 C ATOM 419 CD1 LEU A 31 5.625 0.287 5.144 1.00 0.00 C ATOM 420 CD2 LEU A 31 3.747 1.917 5.415 1.00 0.00 C ATOM 0 H LEU A 31 7.702 3.741 5.111 1.00 0.00 H new ATOM 0 HA LEU A 31 5.257 4.359 6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.877 1.799 6.727 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.304 2.087 7.443 1.00 0.00 H new ATOM 0 HG LEU A 31 5.615 2.307 4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.137 -0.100 4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.706 0.194 5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.296 -0.284 6.012 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.285 1.508 4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.371 1.386 6.290 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.502 2.976 5.500 1.00 0.00 H new ATOM 432 N SER A 32 7.870 5.259 7.593 1.00 0.00 N ATOM 433 CA SER A 32 8.764 5.720 8.649 1.00 0.00 C ATOM 434 C SER A 32 7.971 6.226 9.850 1.00 0.00 C ATOM 435 O SER A 32 7.229 7.203 9.752 1.00 0.00 O ATOM 436 CB SER A 32 9.678 6.829 8.124 1.00 0.00 C ATOM 437 OG SER A 32 10.278 7.543 9.191 1.00 0.00 O ATOM 0 H SER A 32 7.904 5.815 6.739 1.00 0.00 H new ATOM 0 HA SER A 32 9.375 4.876 8.968 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.453 6.397 7.491 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.103 7.514 7.502 1.00 0.00 H new ATOM 0 HG SER A 32 10.122 8.503 9.071 1.00 0.00 H new ATOM 443 N SER A 33 8.132 5.552 10.984 1.00 0.00 N ATOM 444 CA SER A 33 7.429 5.929 12.205 1.00 0.00 C ATOM 445 C SER A 33 7.809 7.342 12.636 1.00 0.00 C ATOM 446 O SER A 33 6.967 8.108 13.106 1.00 0.00 O ATOM 447 CB SER A 33 7.745 4.939 13.327 1.00 0.00 C ATOM 448 OG SER A 33 9.139 4.868 13.568 1.00 0.00 O ATOM 0 H SER A 33 8.743 4.742 11.083 1.00 0.00 H new ATOM 0 HA SER A 33 6.359 5.906 12.001 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.230 5.242 14.239 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.368 3.951 13.061 1.00 0.00 H new ATOM 0 HG SER A 33 9.314 4.230 14.291 1.00 0.00 H new ATOM 454 N TYR A 34 9.083 7.681 12.473 1.00 0.00 N ATOM 455 CA TYR A 34 9.577 9.001 12.848 1.00 0.00 C ATOM 456 C TYR A 34 8.850 10.095 12.072 1.00 0.00 C ATOM 457 O TYR A 34 8.618 11.187 12.587 1.00 0.00 O ATOM 458 CB TYR A 34 11.083 9.095 12.596 1.00 0.00 C ATOM 459 CG TYR A 34 11.894 8.100 13.393 1.00 0.00 C ATOM 460 CD1 TYR A 34 12.079 8.261 14.761 1.00 0.00 C ATOM 461 CD2 TYR A 34 12.476 6.997 12.780 1.00 0.00 C ATOM 462 CE1 TYR A 34 12.820 7.355 15.494 1.00 0.00 C ATOM 463 CE2 TYR A 34 13.218 6.085 13.505 1.00 0.00 C ATOM 464 CZ TYR A 34 13.387 6.268 14.861 1.00 0.00 C ATOM 465 OH TYR A 34 14.126 5.362 15.587 1.00 0.00 O ATOM 0 H TYR A 34 9.792 7.060 12.084 1.00 0.00 H new ATOM 0 HA TYR A 34 9.384 9.146 13.911 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.275 8.940 11.534 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.421 10.103 12.838 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.635 9.110 15.260 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.346 6.850 11.718 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.955 7.496 16.556 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.663 5.233 13.012 1.00 0.00 H new ATOM 0 HH TYR A 34 14.454 4.656 14.992 1.00 0.00 H new ATOM 475 N GLY A 35 8.493 9.791 10.828 1.00 0.00 N ATOM 476 CA GLY A 35 7.795 10.757 9.999 1.00 0.00 C ATOM 477 C GLY A 35 8.245 10.712 8.552 1.00 0.00 C ATOM 478 O GLY A 35 9.337 10.232 8.248 1.00 0.00 O ATOM 0 H GLY A 35 8.675 8.893 10.379 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.723 10.567 10.049 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.960 11.758 10.396 1.00 0.00 H new ATOM 482 N VAL A 36 7.399 11.210 7.656 1.00 0.00 N ATOM 483 CA VAL A 36 7.715 11.224 6.232 1.00 0.00 C ATOM 484 C VAL A 36 7.807 12.651 5.703 1.00 0.00 C ATOM 485 O VAL A 36 7.156 13.568 6.204 1.00 0.00 O ATOM 486 CB VAL A 36 6.661 10.452 5.416 1.00 0.00 C ATOM 487 CG1 VAL A 36 6.593 9.001 5.867 1.00 0.00 C ATOM 488 CG2 VAL A 36 5.300 11.121 5.537 1.00 0.00 C ATOM 0 H VAL A 36 6.490 11.609 7.890 1.00 0.00 H new ATOM 0 HA VAL A 36 8.682 10.735 6.117 1.00 0.00 H new ATOM 0 HB VAL A 36 6.956 10.467 4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.843 8.472 5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.565 8.529 5.724 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.322 8.960 6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.567 10.563 4.954 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.995 11.138 6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.362 12.142 5.160 1.00 0.00 H new ATOM 498 N PRO A 37 8.634 12.845 4.666 1.00 0.00 N ATOM 499 CA PRO A 37 8.830 14.159 4.045 1.00 0.00 C ATOM 500 C PRO A 37 7.598 14.627 3.277 1.00 0.00 C ATOM 501 O PRO A 37 7.211 14.021 2.278 1.00 0.00 O ATOM 502 CB PRO A 37 10.001 13.927 3.087 1.00 0.00 C ATOM 503 CG PRO A 37 9.953 12.471 2.775 1.00 0.00 C ATOM 504 CD PRO A 37 9.441 11.798 4.018 1.00 0.00 C ATOM 0 HA PRO A 37 9.015 14.937 4.786 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.899 14.529 2.184 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.950 14.202 3.548 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.297 12.275 1.927 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.941 12.096 2.507 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.842 10.918 3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.257 11.465 4.660 1.00 0.00 H new ATOM 512 N ALA A 38 6.986 15.708 3.750 1.00 0.00 N ATOM 513 CA ALA A 38 5.800 16.258 3.106 1.00 0.00 C ATOM 514 C ALA A 38 6.081 16.614 1.651 1.00 0.00 C ATOM 515 O ALA A 38 7.236 16.694 1.233 1.00 0.00 O ATOM 516 CB ALA A 38 5.306 17.480 3.866 1.00 0.00 C ATOM 0 H ALA A 38 7.292 16.220 4.577 1.00 0.00 H new ATOM 0 HA ALA A 38 5.021 15.496 3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.420 17.881 3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.056 17.196 4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.087 18.240 3.881 1.00 0.00 H new ATOM 522 N SER A 39 5.018 16.828 0.883 1.00 0.00 N ATOM 523 CA SER A 39 5.150 17.172 -0.528 1.00 0.00 C ATOM 524 C SER A 39 6.340 16.449 -1.154 1.00 0.00 C ATOM 525 O SER A 39 7.071 17.019 -1.965 1.00 0.00 O ATOM 526 CB SER A 39 5.313 18.684 -0.693 1.00 0.00 C ATOM 527 OG SER A 39 5.059 19.082 -2.029 1.00 0.00 O ATOM 0 H SER A 39 4.055 16.769 1.214 1.00 0.00 H new ATOM 0 HA SER A 39 4.242 16.854 -1.041 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.630 19.202 -0.020 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.324 18.977 -0.409 1.00 0.00 H new ATOM 0 HG SER A 39 5.628 18.566 -2.638 1.00 0.00 H new ATOM 533 N LEU A 40 6.527 15.191 -0.772 1.00 0.00 N ATOM 534 CA LEU A 40 7.627 14.388 -1.295 1.00 0.00 C ATOM 535 C LEU A 40 7.161 12.974 -1.624 1.00 0.00 C ATOM 536 O LEU A 40 6.607 12.265 -0.783 1.00 0.00 O ATOM 537 CB LEU A 40 8.773 14.337 -0.282 1.00 0.00 C ATOM 538 CG LEU A 40 10.182 14.233 -0.868 1.00 0.00 C ATOM 539 CD1 LEU A 40 10.353 12.919 -1.615 1.00 0.00 C ATOM 540 CD2 LEU A 40 10.467 15.412 -1.787 1.00 0.00 C ATOM 0 H LEU A 40 5.931 14.705 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 40 7.982 14.856 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.724 15.232 0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.611 13.484 0.377 1.00 0.00 H new ATOM 0 HG LEU A 40 10.899 14.257 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.361 12.862 -2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.193 12.087 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.628 12.865 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.474 15.321 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.745 15.420 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.387 16.341 -1.223 1.00 0.00 H new ATOM 552 N PRO A 41 7.392 12.551 -2.875 1.00 0.00 N ATOM 553 CA PRO A 41 7.006 11.216 -3.344 1.00 0.00 C ATOM 554 C PRO A 41 7.848 10.114 -2.711 1.00 0.00 C ATOM 555 O PRO A 41 8.950 9.817 -3.175 1.00 0.00 O ATOM 556 CB PRO A 41 7.258 11.283 -4.852 1.00 0.00 C ATOM 557 CG PRO A 41 8.301 12.333 -5.016 1.00 0.00 C ATOM 558 CD PRO A 41 8.048 13.342 -3.930 1.00 0.00 C ATOM 0 HA PRO A 41 5.976 10.973 -3.081 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.599 10.323 -5.239 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.348 11.541 -5.394 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.301 11.907 -4.928 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.237 12.796 -6.001 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.975 13.793 -3.576 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.411 14.155 -4.278 1.00 0.00 H new ATOM 566 N VAL A 42 7.324 9.509 -1.650 1.00 0.00 N ATOM 567 CA VAL A 42 8.027 8.438 -0.955 1.00 0.00 C ATOM 568 C VAL A 42 7.372 7.087 -1.221 1.00 0.00 C ATOM 569 O VAL A 42 6.147 6.980 -1.274 1.00 0.00 O ATOM 570 CB VAL A 42 8.068 8.687 0.564 1.00 0.00 C ATOM 571 CG1 VAL A 42 6.658 8.800 1.125 1.00 0.00 C ATOM 572 CG2 VAL A 42 8.841 7.579 1.265 1.00 0.00 C ATOM 0 H VAL A 42 6.414 9.743 -1.253 1.00 0.00 H new ATOM 0 HA VAL A 42 9.046 8.426 -1.341 1.00 0.00 H new ATOM 0 HB VAL A 42 8.583 9.630 0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.707 8.976 2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.141 9.631 0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.115 7.875 0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.860 7.771 2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.356 6.621 1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.862 7.550 0.884 1.00 0.00 H new ATOM 582 N ASP A 43 8.196 6.059 -1.386 1.00 0.00 N ATOM 583 CA ASP A 43 7.697 4.713 -1.645 1.00 0.00 C ATOM 584 C ASP A 43 8.369 3.698 -0.725 1.00 0.00 C ATOM 585 O ASP A 43 9.502 3.896 -0.288 1.00 0.00 O ATOM 586 CB ASP A 43 7.934 4.330 -3.107 1.00 0.00 C ATOM 587 CG ASP A 43 9.407 4.277 -3.460 1.00 0.00 C ATOM 588 OD1 ASP A 43 9.975 5.336 -3.801 1.00 0.00 O ATOM 589 OD2 ASP A 43 9.993 3.176 -3.393 1.00 0.00 O ATOM 0 H ASP A 43 9.213 6.131 -1.345 1.00 0.00 H new ATOM 0 HA ASP A 43 6.626 4.705 -1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.481 3.358 -3.303 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.434 5.051 -3.754 1.00 0.00 H new ATOM 594 N PHE A 44 7.661 2.611 -0.435 1.00 0.00 N ATOM 595 CA PHE A 44 8.188 1.566 0.435 1.00 0.00 C ATOM 596 C PHE A 44 8.311 0.244 -0.317 1.00 0.00 C ATOM 597 O PHE A 44 8.004 0.163 -1.506 1.00 0.00 O ATOM 598 CB PHE A 44 7.287 1.388 1.658 1.00 0.00 C ATOM 599 CG PHE A 44 5.825 1.321 1.321 1.00 0.00 C ATOM 600 CD1 PHE A 44 5.086 2.480 1.147 1.00 0.00 C ATOM 601 CD2 PHE A 44 5.189 0.098 1.177 1.00 0.00 C ATOM 602 CE1 PHE A 44 3.740 2.422 0.836 1.00 0.00 C ATOM 603 CE2 PHE A 44 3.844 0.033 0.866 1.00 0.00 C ATOM 604 CZ PHE A 44 3.118 1.196 0.697 1.00 0.00 C ATOM 0 H PHE A 44 6.722 2.431 -0.789 1.00 0.00 H new ATOM 0 HA PHE A 44 9.181 1.870 0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.573 0.475 2.180 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.455 2.216 2.347 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.567 3.441 1.256 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.751 -0.815 1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.176 3.333 0.702 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.361 -0.927 0.755 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.066 1.147 0.457 1.00 0.00 H new ATOM 614 N ALA A 45 8.762 -0.790 0.386 1.00 0.00 N ATOM 615 CA ALA A 45 8.924 -2.109 -0.213 1.00 0.00 C ATOM 616 C ALA A 45 8.265 -3.186 0.643 1.00 0.00 C ATOM 617 O ALA A 45 8.530 -3.286 1.841 1.00 0.00 O ATOM 618 CB ALA A 45 10.399 -2.420 -0.413 1.00 0.00 C ATOM 0 H ALA A 45 9.022 -0.739 1.371 1.00 0.00 H new ATOM 0 HA ALA A 45 8.430 -2.102 -1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.505 -3.408 -0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.842 -1.673 -1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.909 -2.402 0.550 1.00 0.00 H new ATOM 624 N ILE A 46 7.407 -3.987 0.021 1.00 0.00 N ATOM 625 CA ILE A 46 6.712 -5.056 0.727 1.00 0.00 C ATOM 626 C ILE A 46 7.416 -6.394 0.529 1.00 0.00 C ATOM 627 O ILE A 46 7.305 -7.015 -0.528 1.00 0.00 O ATOM 628 CB ILE A 46 5.251 -5.183 0.258 1.00 0.00 C ATOM 629 CG1 ILE A 46 4.511 -3.859 0.458 1.00 0.00 C ATOM 630 CG2 ILE A 46 4.550 -6.307 1.006 1.00 0.00 C ATOM 631 CD1 ILE A 46 3.394 -3.634 -0.537 1.00 0.00 C ATOM 0 H ILE A 46 7.176 -3.916 -0.970 1.00 0.00 H new ATOM 0 HA ILE A 46 6.724 -4.795 1.785 1.00 0.00 H new ATOM 0 HB ILE A 46 5.246 -5.423 -0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.099 -3.831 1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.224 -3.038 0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.518 -6.384 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.067 -7.248 0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.562 -6.096 2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.914 -2.676 -0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.802 -3.629 -1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.659 -4.434 -0.446 1.00 0.00 H new ATOM 643 N ASP A 47 8.139 -6.833 1.553 1.00 0.00 N ATOM 644 CA ASP A 47 8.860 -8.100 1.493 1.00 0.00 C ATOM 645 C ASP A 47 8.040 -9.221 2.124 1.00 0.00 C ATOM 646 O ASP A 47 7.711 -9.172 3.309 1.00 0.00 O ATOM 647 CB ASP A 47 10.210 -7.977 2.202 1.00 0.00 C ATOM 648 CG ASP A 47 10.062 -7.686 3.683 1.00 0.00 C ATOM 649 OD1 ASP A 47 9.626 -6.568 4.027 1.00 0.00 O ATOM 650 OD2 ASP A 47 10.382 -8.578 4.497 1.00 0.00 O ATOM 0 H ASP A 47 8.242 -6.331 2.435 1.00 0.00 H new ATOM 0 HA ASP A 47 9.030 -8.344 0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.772 -8.902 2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.791 -7.182 1.735 1.00 0.00 H new ATOM 655 N ALA A 48 7.713 -10.231 1.323 1.00 0.00 N ATOM 656 CA ALA A 48 6.933 -11.365 1.803 1.00 0.00 C ATOM 657 C ALA A 48 7.770 -12.640 1.818 1.00 0.00 C ATOM 658 O ALA A 48 8.352 -13.023 0.803 1.00 0.00 O ATOM 659 CB ALA A 48 5.693 -11.554 0.942 1.00 0.00 C ATOM 0 H ALA A 48 7.976 -10.286 0.339 1.00 0.00 H new ATOM 0 HA ALA A 48 6.622 -11.154 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.120 -12.404 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.078 -10.655 0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.991 -11.739 -0.090 1.00 0.00 H new ATOM 665 N ARG A 49 7.825 -13.292 2.975 1.00 0.00 N ATOM 666 CA ARG A 49 8.593 -14.523 3.121 1.00 0.00 C ATOM 667 C ARG A 49 7.700 -15.746 2.929 1.00 0.00 C ATOM 668 O ARG A 49 7.977 -16.602 2.089 1.00 0.00 O ATOM 669 CB ARG A 49 9.256 -14.574 4.499 1.00 0.00 C ATOM 670 CG ARG A 49 8.269 -14.525 5.653 1.00 0.00 C ATOM 671 CD ARG A 49 8.954 -14.148 6.957 1.00 0.00 C ATOM 672 NE ARG A 49 8.069 -14.310 8.107 1.00 0.00 N ATOM 673 CZ ARG A 49 8.420 -14.011 9.353 1.00 0.00 C ATOM 674 NH1 ARG A 49 9.632 -13.537 9.608 1.00 0.00 N ATOM 675 NH2 ARG A 49 7.559 -14.186 10.347 1.00 0.00 N ATOM 0 H ARG A 49 7.348 -12.989 3.824 1.00 0.00 H new ATOM 0 HA ARG A 49 9.366 -14.534 2.352 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.846 -15.488 4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.950 -13.738 4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.484 -13.802 5.431 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.787 -15.496 5.762 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.841 -14.767 7.092 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.292 -13.113 6.903 1.00 0.00 H new ATOM 0 HE ARG A 49 7.130 -14.673 7.945 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.297 -13.401 8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.899 -13.308 10.565 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.626 -14.551 10.155 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.830 -13.956 11.303 1.00 0.00 H new ATOM 689 N ASP A 50 6.630 -15.820 3.712 1.00 0.00 N ATOM 690 CA ASP A 50 5.697 -16.937 3.628 1.00 0.00 C ATOM 691 C ASP A 50 4.285 -16.444 3.325 1.00 0.00 C ATOM 692 O ASP A 50 3.302 -17.040 3.764 1.00 0.00 O ATOM 693 CB ASP A 50 5.703 -17.734 4.934 1.00 0.00 C ATOM 694 CG ASP A 50 6.859 -18.712 5.010 1.00 0.00 C ATOM 695 OD1 ASP A 50 7.127 -19.394 3.999 1.00 0.00 O ATOM 696 OD2 ASP A 50 7.495 -18.794 6.081 1.00 0.00 O ATOM 0 H ASP A 50 6.387 -15.119 4.412 1.00 0.00 H new ATOM 0 HA ASP A 50 6.019 -17.586 2.814 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.758 -17.045 5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.763 -18.278 5.028 1.00 0.00 H new ATOM 701 N ALA A 51 4.194 -15.353 2.572 1.00 0.00 N ATOM 702 CA ALA A 51 2.904 -14.781 2.209 1.00 0.00 C ATOM 703 C ALA A 51 2.449 -15.276 0.840 1.00 0.00 C ATOM 704 O ALA A 51 1.265 -15.223 0.512 1.00 0.00 O ATOM 705 CB ALA A 51 2.977 -13.261 2.225 1.00 0.00 C ATOM 0 H ALA A 51 4.999 -14.848 2.201 1.00 0.00 H new ATOM 0 HA ALA A 51 2.170 -15.107 2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.006 -12.847 1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.249 -12.920 3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.729 -12.925 1.510 1.00 0.00 H new ATOM 711 N GLY A 52 3.399 -15.757 0.044 1.00 0.00 N ATOM 712 CA GLY A 52 3.076 -16.254 -1.281 1.00 0.00 C ATOM 713 C GLY A 52 2.589 -15.158 -2.208 1.00 0.00 C ATOM 714 O GLY A 52 3.088 -14.034 -2.166 1.00 0.00 O ATOM 0 H GLY A 52 4.387 -15.811 0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.958 -16.726 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.309 -17.024 -1.200 1.00 0.00 H new ATOM 718 N GLU A 53 1.612 -15.486 -3.047 1.00 0.00 N ATOM 719 CA GLU A 53 1.059 -14.521 -3.990 1.00 0.00 C ATOM 720 C GLU A 53 -0.431 -14.308 -3.740 1.00 0.00 C ATOM 721 O GLU A 53 -1.174 -15.259 -3.502 1.00 0.00 O ATOM 722 CB GLU A 53 1.284 -14.993 -5.428 1.00 0.00 C ATOM 723 CG GLU A 53 0.545 -14.162 -6.464 1.00 0.00 C ATOM 724 CD GLU A 53 1.056 -14.396 -7.872 1.00 0.00 C ATOM 725 OE1 GLU A 53 2.207 -14.005 -8.159 1.00 0.00 O ATOM 726 OE2 GLU A 53 0.305 -14.972 -8.687 1.00 0.00 O ATOM 0 H GLU A 53 1.187 -16.412 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 53 1.574 -13.572 -3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.351 -14.967 -5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.967 -16.032 -5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.518 -14.399 -6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.646 -13.105 -6.216 1.00 0.00 H new ATOM 733 N GLY A 54 -0.861 -13.051 -3.796 1.00 0.00 N ATOM 734 CA GLY A 54 -2.260 -12.734 -3.573 1.00 0.00 C ATOM 735 C GLY A 54 -2.630 -11.354 -4.078 1.00 0.00 C ATOM 736 O GLY A 54 -1.759 -10.513 -4.304 1.00 0.00 O ATOM 0 H GLY A 54 -0.265 -12.246 -3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.882 -13.478 -4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.478 -12.798 -2.507 1.00 0.00 H new ATOM 740 N LEU A 55 -3.925 -11.119 -4.258 1.00 0.00 N ATOM 741 CA LEU A 55 -4.409 -9.831 -4.742 1.00 0.00 C ATOM 742 C LEU A 55 -4.043 -8.713 -3.771 1.00 0.00 C ATOM 743 O LEU A 55 -4.626 -8.597 -2.692 1.00 0.00 O ATOM 744 CB LEU A 55 -5.925 -9.875 -4.939 1.00 0.00 C ATOM 745 CG LEU A 55 -6.505 -8.848 -5.912 1.00 0.00 C ATOM 746 CD1 LEU A 55 -7.946 -9.193 -6.256 1.00 0.00 C ATOM 747 CD2 LEU A 55 -6.416 -7.447 -5.324 1.00 0.00 C ATOM 0 H LEU A 55 -4.659 -11.804 -4.076 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.930 -9.627 -5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.197 -10.871 -5.288 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.402 -9.736 -3.969 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.918 -8.873 -6.830 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.342 -8.451 -6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.983 -10.179 -6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.546 -9.196 -5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.833 -6.729 -6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.978 -7.408 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.372 -7.200 -5.129 1.00 0.00 H new ATOM 759 N LEU A 56 -3.077 -7.889 -4.162 1.00 0.00 N ATOM 760 CA LEU A 56 -2.635 -6.778 -3.327 1.00 0.00 C ATOM 761 C LEU A 56 -3.478 -5.533 -3.586 1.00 0.00 C ATOM 762 O LEU A 56 -3.746 -5.181 -4.734 1.00 0.00 O ATOM 763 CB LEU A 56 -1.159 -6.471 -3.591 1.00 0.00 C ATOM 764 CG LEU A 56 -0.582 -5.263 -2.853 1.00 0.00 C ATOM 765 CD1 LEU A 56 -0.508 -5.535 -1.358 1.00 0.00 C ATOM 766 CD2 LEU A 56 0.793 -4.910 -3.401 1.00 0.00 C ATOM 0 H LEU A 56 -2.585 -7.969 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.759 -7.069 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.572 -7.350 -3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.027 -6.314 -4.662 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.245 -4.413 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.095 -4.664 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.508 -5.738 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.132 -6.398 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.188 -4.048 -2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.465 -5.758 -3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.712 -4.671 -4.461 1.00 0.00 H new ATOM 778 N ALA A 57 -3.892 -4.871 -2.510 1.00 0.00 N ATOM 779 CA ALA A 57 -4.701 -3.664 -2.621 1.00 0.00 C ATOM 780 C ALA A 57 -4.139 -2.544 -1.752 1.00 0.00 C ATOM 781 O ALA A 57 -3.890 -2.734 -0.562 1.00 0.00 O ATOM 782 CB ALA A 57 -6.144 -3.958 -2.237 1.00 0.00 C ATOM 0 H ALA A 57 -3.680 -5.151 -1.552 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.673 -3.332 -3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.737 -3.047 -2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.549 -4.720 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.181 -4.317 -1.209 1.00 0.00 H new ATOM 788 N VAL A 58 -3.939 -1.377 -2.356 1.00 0.00 N ATOM 789 CA VAL A 58 -3.405 -0.226 -1.637 1.00 0.00 C ATOM 790 C VAL A 58 -4.524 0.702 -1.177 1.00 0.00 C ATOM 791 O VAL A 58 -5.409 1.056 -1.956 1.00 0.00 O ATOM 792 CB VAL A 58 -2.417 0.572 -2.509 1.00 0.00 C ATOM 793 CG1 VAL A 58 -1.933 1.810 -1.770 1.00 0.00 C ATOM 794 CG2 VAL A 58 -1.245 -0.305 -2.923 1.00 0.00 C ATOM 0 H VAL A 58 -4.139 -1.204 -3.341 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.877 -0.614 -0.766 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.935 0.897 -3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.236 2.361 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.785 2.446 -1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.431 1.511 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.557 0.274 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.725 -0.661 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.612 -1.158 -3.494 1.00 0.00 H new ATOM 804 N GLN A 59 -4.478 1.093 0.092 1.00 0.00 N ATOM 805 CA GLN A 59 -5.489 1.980 0.656 1.00 0.00 C ATOM 806 C GLN A 59 -4.841 3.093 1.473 1.00 0.00 C ATOM 807 O GLN A 59 -4.182 2.833 2.480 1.00 0.00 O ATOM 808 CB GLN A 59 -6.462 1.188 1.531 1.00 0.00 C ATOM 809 CG GLN A 59 -7.714 1.964 1.904 1.00 0.00 C ATOM 810 CD GLN A 59 -8.763 1.095 2.570 1.00 0.00 C ATOM 811 OE1 GLN A 59 -8.555 0.586 3.672 1.00 0.00 O ATOM 812 NE2 GLN A 59 -9.898 0.922 1.904 1.00 0.00 N ATOM 0 H GLN A 59 -3.751 0.810 0.749 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.040 2.433 -0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.752 0.278 1.006 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.950 0.881 2.443 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.445 2.780 2.575 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.138 2.415 1.007 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.027 1.363 0.993 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.641 0.348 2.303 1.00 0.00 H new ATOM 821 N ILE A 60 -5.034 4.332 1.033 1.00 0.00 N ATOM 822 CA ILE A 60 -4.470 5.484 1.725 1.00 0.00 C ATOM 823 C ILE A 60 -5.537 6.539 1.997 1.00 0.00 C ATOM 824 O ILE A 60 -6.305 6.905 1.107 1.00 0.00 O ATOM 825 CB ILE A 60 -3.327 6.123 0.914 1.00 0.00 C ATOM 826 CG1 ILE A 60 -2.237 5.088 0.625 1.00 0.00 C ATOM 827 CG2 ILE A 60 -2.749 7.315 1.662 1.00 0.00 C ATOM 828 CD1 ILE A 60 -1.325 5.475 -0.518 1.00 0.00 C ATOM 0 H ILE A 60 -5.576 4.563 0.201 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.073 5.120 2.673 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.728 6.475 -0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.638 4.942 1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.707 4.131 0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.942 7.756 1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.530 8.058 1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.360 6.986 2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.577 4.696 -0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.913 5.592 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.827 6.416 -0.284 1.00 0.00 H new ATOM 840 N THR A 61 -5.577 7.027 3.233 1.00 0.00 N ATOM 841 CA THR A 61 -6.549 8.041 3.622 1.00 0.00 C ATOM 842 C THR A 61 -5.895 9.138 4.454 1.00 0.00 C ATOM 843 O THR A 61 -4.801 8.957 4.989 1.00 0.00 O ATOM 844 CB THR A 61 -7.710 7.426 4.427 1.00 0.00 C ATOM 845 OG1 THR A 61 -7.211 6.427 5.323 1.00 0.00 O ATOM 846 CG2 THR A 61 -8.745 6.809 3.498 1.00 0.00 C ATOM 0 H THR A 61 -4.948 6.736 3.981 1.00 0.00 H new ATOM 0 HA THR A 61 -6.942 8.472 2.701 1.00 0.00 H new ATOM 0 HB THR A 61 -8.186 8.221 5.000 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.955 6.043 5.832 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.555 6.381 4.089 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.145 7.578 2.837 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.278 6.025 2.902 1.00 0.00 H new ATOM 854 N ASP A 62 -6.571 10.277 4.559 1.00 0.00 N ATOM 855 CA ASP A 62 -6.056 11.404 5.327 1.00 0.00 C ATOM 856 C ASP A 62 -6.603 11.386 6.752 1.00 0.00 C ATOM 857 O ASP A 62 -7.373 10.499 7.119 1.00 0.00 O ATOM 858 CB ASP A 62 -6.421 12.723 4.645 1.00 0.00 C ATOM 859 CG ASP A 62 -5.542 13.872 5.099 1.00 0.00 C ATOM 860 OD1 ASP A 62 -4.306 13.699 5.125 1.00 0.00 O ATOM 861 OD2 ASP A 62 -6.091 14.945 5.429 1.00 0.00 O ATOM 0 H ASP A 62 -7.477 10.444 4.122 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.971 11.315 5.372 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.333 12.607 3.565 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.463 12.961 4.856 1.00 0.00 H new ATOM 866 N GLN A 63 -6.197 12.369 7.549 1.00 0.00 N ATOM 867 CA GLN A 63 -6.644 12.464 8.933 1.00 0.00 C ATOM 868 C GLN A 63 -8.166 12.415 9.017 1.00 0.00 C ATOM 869 O GLN A 63 -8.727 11.787 9.915 1.00 0.00 O ATOM 870 CB GLN A 63 -6.127 13.754 9.571 1.00 0.00 C ATOM 871 CG GLN A 63 -6.702 15.015 8.945 1.00 0.00 C ATOM 872 CD GLN A 63 -6.123 16.281 9.546 1.00 0.00 C ATOM 873 OE1 GLN A 63 -6.681 16.846 10.487 1.00 0.00 O ATOM 874 NE2 GLN A 63 -4.999 16.733 9.004 1.00 0.00 N ATOM 0 H GLN A 63 -5.559 13.111 7.260 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.240 11.611 9.479 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.366 13.745 10.634 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.040 13.780 9.489 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.508 15.005 7.872 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.784 15.019 9.073 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.571 16.232 8.225 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.563 17.581 9.366 1.00 0.00 H new ATOM 883 N GLU A 64 -8.828 13.082 8.077 1.00 0.00 N ATOM 884 CA GLU A 64 -10.286 13.114 8.047 1.00 0.00 C ATOM 885 C GLU A 64 -10.844 11.868 7.367 1.00 0.00 C ATOM 886 O GLU A 64 -11.979 11.465 7.619 1.00 0.00 O ATOM 887 CB GLU A 64 -10.775 14.368 7.319 1.00 0.00 C ATOM 888 CG GLU A 64 -12.288 14.470 7.232 1.00 0.00 C ATOM 889 CD GLU A 64 -12.770 15.902 7.103 1.00 0.00 C ATOM 890 OE1 GLU A 64 -12.741 16.632 8.116 1.00 0.00 O ATOM 891 OE2 GLU A 64 -13.176 16.292 5.988 1.00 0.00 O ATOM 0 H GLU A 64 -8.379 13.607 7.327 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.645 13.136 9.076 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.389 15.249 7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.360 14.378 6.311 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.639 13.894 6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.730 14.020 8.121 1.00 0.00 H new ATOM 898 N GLY A 65 -10.037 11.261 6.502 1.00 0.00 N ATOM 899 CA GLY A 65 -10.467 10.067 5.798 1.00 0.00 C ATOM 900 C GLY A 65 -10.798 10.338 4.344 1.00 0.00 C ATOM 901 O GLY A 65 -11.793 9.836 3.821 1.00 0.00 O ATOM 0 H GLY A 65 -9.093 11.575 6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.682 9.313 5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.343 9.652 6.295 1.00 0.00 H new ATOM 905 N LYS A 66 -9.963 11.137 3.688 1.00 0.00 N ATOM 906 CA LYS A 66 -10.170 11.476 2.286 1.00 0.00 C ATOM 907 C LYS A 66 -9.341 10.572 1.379 1.00 0.00 C ATOM 908 O LYS A 66 -8.290 10.061 1.765 1.00 0.00 O ATOM 909 CB LYS A 66 -9.805 12.941 2.034 1.00 0.00 C ATOM 910 CG LYS A 66 -10.698 13.925 2.770 1.00 0.00 C ATOM 911 CD LYS A 66 -10.402 15.359 2.364 1.00 0.00 C ATOM 912 CE LYS A 66 -11.083 16.353 3.291 1.00 0.00 C ATOM 913 NZ LYS A 66 -10.635 17.750 3.032 1.00 0.00 N ATOM 0 H LYS A 66 -9.135 11.562 4.106 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.224 11.326 2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.771 13.106 2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.861 13.142 0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.743 13.695 2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.555 13.813 3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.325 15.527 2.377 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.738 15.525 1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.163 16.288 3.162 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.869 16.089 4.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.122 18.397 3.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.608 17.818 3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.862 18.011 2.051 1.00 0.00 H new ATOM 927 N PRO A 67 -9.823 10.370 0.143 1.00 0.00 N ATOM 928 CA PRO A 67 -9.140 9.529 -0.845 1.00 0.00 C ATOM 929 C PRO A 67 -7.845 10.159 -1.346 1.00 0.00 C ATOM 930 O PRO A 67 -7.803 11.347 -1.666 1.00 0.00 O ATOM 931 CB PRO A 67 -10.158 9.422 -1.983 1.00 0.00 C ATOM 932 CG PRO A 67 -10.999 10.645 -1.856 1.00 0.00 C ATOM 933 CD PRO A 67 -11.070 10.948 -0.385 1.00 0.00 C ATOM 0 HA PRO A 67 -8.844 8.567 -0.427 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.664 9.381 -2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.759 8.517 -1.893 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.561 11.478 -2.405 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.994 10.479 -2.269 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.127 12.020 -0.198 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.949 10.497 0.076 1.00 0.00 H new ATOM 941 N LYS A 68 -6.789 9.355 -1.413 1.00 0.00 N ATOM 942 CA LYS A 68 -5.492 9.832 -1.878 1.00 0.00 C ATOM 943 C LYS A 68 -4.960 8.951 -3.004 1.00 0.00 C ATOM 944 O LYS A 68 -4.955 7.725 -2.896 1.00 0.00 O ATOM 945 CB LYS A 68 -4.491 9.858 -0.720 1.00 0.00 C ATOM 946 CG LYS A 68 -4.937 10.718 0.450 1.00 0.00 C ATOM 947 CD LYS A 68 -4.968 12.191 0.079 1.00 0.00 C ATOM 948 CE LYS A 68 -3.565 12.754 -0.087 1.00 0.00 C ATOM 949 NZ LYS A 68 -3.581 14.222 -0.336 1.00 0.00 N ATOM 0 H LYS A 68 -6.806 8.369 -1.151 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.621 10.844 -2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.327 8.839 -0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.533 10.227 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.928 10.403 0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.261 10.568 1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.526 12.322 -0.848 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.497 12.751 0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.981 12.544 0.809 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.068 12.251 -0.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.199 14.418 -1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.558 14.573 -0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.997 14.702 0.379 1.00 0.00 H new ATOM 963 N ARG A 69 -4.512 9.585 -4.083 1.00 0.00 N ATOM 964 CA ARG A 69 -3.977 8.859 -5.228 1.00 0.00 C ATOM 965 C ARG A 69 -2.595 8.292 -4.916 1.00 0.00 C ATOM 966 O ARG A 69 -1.726 8.996 -4.403 1.00 0.00 O ATOM 967 CB ARG A 69 -3.899 9.776 -6.450 1.00 0.00 C ATOM 968 CG ARG A 69 -4.019 9.039 -7.774 1.00 0.00 C ATOM 969 CD ARG A 69 -3.463 9.865 -8.923 1.00 0.00 C ATOM 970 NE ARG A 69 -4.154 11.144 -9.062 1.00 0.00 N ATOM 971 CZ ARG A 69 -5.289 11.298 -9.735 1.00 0.00 C ATOM 972 NH1 ARG A 69 -5.858 10.257 -10.328 1.00 0.00 N ATOM 973 NH2 ARG A 69 -5.857 12.494 -9.817 1.00 0.00 N ATOM 0 H ARG A 69 -4.509 10.600 -4.188 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.650 8.030 -5.446 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.692 10.521 -6.386 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.952 10.316 -6.429 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.484 8.091 -7.714 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.066 8.803 -7.967 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.400 10.043 -8.760 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.553 9.301 -9.852 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.742 11.965 -8.618 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.424 9.336 -10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.729 10.378 -10.844 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.422 13.297 -9.363 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.728 12.610 -10.334 1.00 0.00 H new ATOM 987 N ALA A 70 -2.400 7.015 -5.229 1.00 0.00 N ATOM 988 CA ALA A 70 -1.125 6.354 -4.983 1.00 0.00 C ATOM 989 C ALA A 70 -0.707 5.505 -6.179 1.00 0.00 C ATOM 990 O ALA A 70 -1.539 4.852 -6.809 1.00 0.00 O ATOM 991 CB ALA A 70 -1.207 5.498 -3.728 1.00 0.00 C ATOM 0 H ALA A 70 -3.110 6.418 -5.654 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.368 7.124 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.247 5.010 -3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.451 6.128 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.981 4.741 -3.854 1.00 0.00 H new ATOM 997 N ILE A 71 0.586 5.518 -6.486 1.00 0.00 N ATOM 998 CA ILE A 71 1.113 4.749 -7.606 1.00 0.00 C ATOM 999 C ILE A 71 1.399 3.308 -7.196 1.00 0.00 C ATOM 1000 O ILE A 71 1.732 3.033 -6.043 1.00 0.00 O ATOM 1001 CB ILE A 71 2.403 5.378 -8.164 1.00 0.00 C ATOM 1002 CG1 ILE A 71 2.140 6.816 -8.617 1.00 0.00 C ATOM 1003 CG2 ILE A 71 2.943 4.545 -9.316 1.00 0.00 C ATOM 1004 CD1 ILE A 71 3.374 7.690 -8.599 1.00 0.00 C ATOM 0 H ILE A 71 1.288 6.053 -5.974 1.00 0.00 H new ATOM 0 HA ILE A 71 0.349 4.759 -8.383 1.00 0.00 H new ATOM 0 HB ILE A 71 3.152 5.397 -7.373 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.730 6.801 -9.627 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.382 7.259 -7.971 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.855 5.003 -9.700 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.163 3.537 -8.964 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.199 4.498 -10.111 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.113 8.695 -8.932 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.773 7.735 -7.586 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.127 7.271 -9.267 1.00 0.00 H new ATOM 1016 N VAL A 72 1.270 2.391 -8.149 1.00 0.00 N ATOM 1017 CA VAL A 72 1.518 0.978 -7.889 1.00 0.00 C ATOM 1018 C VAL A 72 2.590 0.427 -8.823 1.00 0.00 C ATOM 1019 O VAL A 72 2.397 0.361 -10.038 1.00 0.00 O ATOM 1020 CB VAL A 72 0.234 0.143 -8.051 1.00 0.00 C ATOM 1021 CG1 VAL A 72 -0.346 0.320 -9.446 1.00 0.00 C ATOM 1022 CG2 VAL A 72 0.512 -1.324 -7.763 1.00 0.00 C ATOM 0 H VAL A 72 0.995 2.601 -9.108 1.00 0.00 H new ATOM 0 HA VAL A 72 1.864 0.902 -6.858 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.502 0.498 -7.330 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.253 -0.277 -9.542 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.585 1.371 -9.610 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.383 -0.006 -10.187 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.407 -1.899 -7.882 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.265 -1.695 -8.458 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.877 -1.431 -6.742 1.00 0.00 H new ATOM 1032 N HIS A 73 3.722 0.032 -8.248 1.00 0.00 N ATOM 1033 CA HIS A 73 4.825 -0.515 -9.030 1.00 0.00 C ATOM 1034 C HIS A 73 4.875 -2.036 -8.909 1.00 0.00 C ATOM 1035 O HIS A 73 4.915 -2.580 -7.806 1.00 0.00 O ATOM 1036 CB HIS A 73 6.152 0.088 -8.569 1.00 0.00 C ATOM 1037 CG HIS A 73 6.337 1.515 -8.983 1.00 0.00 C ATOM 1038 ND1 HIS A 73 7.132 1.894 -10.045 1.00 0.00 N ATOM 1039 CD2 HIS A 73 5.824 2.659 -8.473 1.00 0.00 C ATOM 1040 CE1 HIS A 73 7.100 3.209 -10.168 1.00 0.00 C ATOM 1041 NE2 HIS A 73 6.313 3.697 -9.227 1.00 0.00 N ATOM 0 H HIS A 73 3.899 0.081 -7.245 1.00 0.00 H new ATOM 0 HA HIS A 73 4.660 -0.256 -10.076 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.214 0.023 -7.483 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.972 -0.508 -8.971 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.154 2.740 -7.630 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.628 3.787 -10.912 1.00 0.00 H new ATOM 0 HE2 HIS A 73 6.102 4.685 -9.083 1.00 0.00 H new ATOM 1049 N ASP A 74 4.871 -2.715 -10.051 1.00 0.00 N ATOM 1050 CA ASP A 74 4.916 -4.172 -10.074 1.00 0.00 C ATOM 1051 C ASP A 74 6.318 -4.667 -10.417 1.00 0.00 C ATOM 1052 O ASP A 74 6.775 -4.529 -11.550 1.00 0.00 O ATOM 1053 CB ASP A 74 3.907 -4.719 -11.085 1.00 0.00 C ATOM 1054 CG ASP A 74 3.893 -3.925 -12.376 1.00 0.00 C ATOM 1055 OD1 ASP A 74 4.986 -3.627 -12.901 1.00 0.00 O ATOM 1056 OD2 ASP A 74 2.789 -3.601 -12.861 1.00 0.00 O ATOM 0 H ASP A 74 4.837 -2.280 -10.973 1.00 0.00 H new ATOM 0 HA ASP A 74 4.655 -4.535 -9.080 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.145 -5.760 -11.305 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.911 -4.706 -10.643 1.00 0.00 H new ATOM 1061 N ASN A 75 6.995 -5.243 -9.428 1.00 0.00 N ATOM 1062 CA ASN A 75 8.345 -5.757 -9.625 1.00 0.00 C ATOM 1063 C ASN A 75 8.313 -7.222 -10.051 1.00 0.00 C ATOM 1064 O ASN A 75 9.214 -7.700 -10.740 1.00 0.00 O ATOM 1065 CB ASN A 75 9.163 -5.606 -8.341 1.00 0.00 C ATOM 1066 CG ASN A 75 9.055 -4.214 -7.748 1.00 0.00 C ATOM 1067 OD1 ASN A 75 9.295 -3.217 -8.428 1.00 0.00 O ATOM 1068 ND2 ASN A 75 8.693 -4.142 -6.472 1.00 0.00 N ATOM 0 H ASN A 75 6.631 -5.365 -8.483 1.00 0.00 H new ATOM 0 HA ASN A 75 8.816 -5.176 -10.418 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.823 -6.338 -7.608 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.209 -5.828 -8.551 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.604 -3.233 -6.018 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.504 -4.996 -5.947 1.00 0.00 H new ATOM 1075 N LYS A 76 7.268 -7.930 -9.636 1.00 0.00 N ATOM 1076 CA LYS A 76 7.116 -9.340 -9.974 1.00 0.00 C ATOM 1077 C LYS A 76 8.308 -10.151 -9.478 1.00 0.00 C ATOM 1078 O LYS A 76 8.673 -11.165 -10.074 1.00 0.00 O ATOM 1079 CB LYS A 76 6.966 -9.509 -11.488 1.00 0.00 C ATOM 1080 CG LYS A 76 5.634 -9.015 -12.026 1.00 0.00 C ATOM 1081 CD LYS A 76 4.491 -9.923 -11.605 1.00 0.00 C ATOM 1082 CE LYS A 76 4.256 -11.031 -12.620 1.00 0.00 C ATOM 1083 NZ LYS A 76 5.143 -12.202 -12.378 1.00 0.00 N ATOM 0 H LYS A 76 6.513 -7.550 -9.065 1.00 0.00 H new ATOM 0 HA LYS A 76 6.217 -9.711 -9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.772 -8.971 -11.987 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.082 -10.563 -11.741 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.448 -8.003 -11.666 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.677 -8.963 -13.114 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.712 -10.361 -10.632 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.581 -9.334 -11.490 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.214 -11.349 -12.576 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.429 -10.646 -13.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.673 -13.068 -12.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.036 -12.074 -12.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.341 -12.283 -11.360 1.00 0.00 H new ATOM 1097 N ASP A 77 8.910 -9.700 -8.383 1.00 0.00 N ATOM 1098 CA ASP A 77 10.060 -10.385 -7.804 1.00 0.00 C ATOM 1099 C ASP A 77 9.801 -10.743 -6.344 1.00 0.00 C ATOM 1100 O ASP A 77 10.730 -10.827 -5.541 1.00 0.00 O ATOM 1101 CB ASP A 77 11.310 -9.511 -7.915 1.00 0.00 C ATOM 1102 CG ASP A 77 11.929 -9.557 -9.298 1.00 0.00 C ATOM 1103 OD1 ASP A 77 12.036 -10.665 -9.864 1.00 0.00 O ATOM 1104 OD2 ASP A 77 12.305 -8.485 -9.815 1.00 0.00 O ATOM 0 H ASP A 77 8.620 -8.862 -7.878 1.00 0.00 H new ATOM 0 HA ASP A 77 10.221 -11.308 -8.362 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.052 -8.481 -7.670 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.045 -9.839 -7.180 1.00 0.00 H new ATOM 1109 N GLY A 78 8.532 -10.951 -6.007 1.00 0.00 N ATOM 1110 CA GLY A 78 8.174 -11.296 -4.643 1.00 0.00 C ATOM 1111 C GLY A 78 7.812 -10.080 -3.814 1.00 0.00 C ATOM 1112 O GLY A 78 6.993 -10.164 -2.898 1.00 0.00 O ATOM 0 H GLY A 78 7.746 -10.887 -6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.331 -11.987 -4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.007 -11.818 -4.173 1.00 0.00 H new ATOM 1116 N THR A 79 8.425 -8.944 -4.132 1.00 0.00 N ATOM 1117 CA THR A 79 8.166 -7.706 -3.408 1.00 0.00 C ATOM 1118 C THR A 79 7.253 -6.783 -4.208 1.00 0.00 C ATOM 1119 O THR A 79 6.891 -7.085 -5.345 1.00 0.00 O ATOM 1120 CB THR A 79 9.474 -6.961 -3.083 1.00 0.00 C ATOM 1121 OG1 THR A 79 10.080 -6.485 -4.290 1.00 0.00 O ATOM 1122 CG2 THR A 79 10.446 -7.870 -2.346 1.00 0.00 C ATOM 0 H THR A 79 9.105 -8.856 -4.887 1.00 0.00 H new ATOM 0 HA THR A 79 7.673 -7.982 -2.476 1.00 0.00 H new ATOM 0 HB THR A 79 9.234 -6.115 -2.440 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.910 -6.011 -4.074 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.362 -7.322 -2.127 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.993 -8.207 -1.413 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.680 -8.734 -2.969 1.00 0.00 H new ATOM 1130 N TYR A 80 6.886 -5.657 -3.606 1.00 0.00 N ATOM 1131 CA TYR A 80 6.014 -4.689 -4.262 1.00 0.00 C ATOM 1132 C TYR A 80 6.354 -3.267 -3.828 1.00 0.00 C ATOM 1133 O TYR A 80 6.642 -3.015 -2.658 1.00 0.00 O ATOM 1134 CB TYR A 80 4.549 -4.995 -3.945 1.00 0.00 C ATOM 1135 CG TYR A 80 4.052 -6.282 -4.562 1.00 0.00 C ATOM 1136 CD1 TYR A 80 3.516 -6.299 -5.844 1.00 0.00 C ATOM 1137 CD2 TYR A 80 4.116 -7.481 -3.863 1.00 0.00 C ATOM 1138 CE1 TYR A 80 3.060 -7.473 -6.412 1.00 0.00 C ATOM 1139 CE2 TYR A 80 3.663 -8.660 -4.424 1.00 0.00 C ATOM 1140 CZ TYR A 80 3.136 -8.650 -5.698 1.00 0.00 C ATOM 1141 OH TYR A 80 2.682 -9.822 -6.260 1.00 0.00 O ATOM 0 H TYR A 80 7.178 -5.392 -2.665 1.00 0.00 H new ATOM 0 HA TYR A 80 6.170 -4.768 -5.338 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.424 -5.048 -2.864 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.930 -4.170 -4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.455 -5.379 -6.406 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.527 -7.492 -2.864 1.00 0.00 H new ATOM 0 HE1 TYR A 80 2.646 -7.469 -7.410 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.721 -9.584 -3.868 1.00 0.00 H new ATOM 0 HH TYR A 80 2.808 -10.559 -5.627 1.00 0.00 H new ATOM 1151 N ALA A 81 6.318 -2.340 -4.780 1.00 0.00 N ATOM 1152 CA ALA A 81 6.620 -0.943 -4.497 1.00 0.00 C ATOM 1153 C ALA A 81 5.371 -0.076 -4.621 1.00 0.00 C ATOM 1154 O ALA A 81 4.548 -0.280 -5.513 1.00 0.00 O ATOM 1155 CB ALA A 81 7.710 -0.438 -5.431 1.00 0.00 C ATOM 0 H ALA A 81 6.083 -2.532 -5.754 1.00 0.00 H new ATOM 0 HA ALA A 81 6.978 -0.875 -3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.925 0.607 -5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.613 -1.032 -5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.374 -0.527 -6.464 1.00 0.00 H new ATOM 1161 N VAL A 82 5.237 0.893 -3.721 1.00 0.00 N ATOM 1162 CA VAL A 82 4.089 1.791 -3.730 1.00 0.00 C ATOM 1163 C VAL A 82 4.499 3.212 -3.359 1.00 0.00 C ATOM 1164 O VAL A 82 5.027 3.454 -2.273 1.00 0.00 O ATOM 1165 CB VAL A 82 2.994 1.314 -2.757 1.00 0.00 C ATOM 1166 CG1 VAL A 82 1.818 2.278 -2.762 1.00 0.00 C ATOM 1167 CG2 VAL A 82 2.542 -0.094 -3.113 1.00 0.00 C ATOM 0 H VAL A 82 5.910 1.076 -2.976 1.00 0.00 H new ATOM 0 HA VAL A 82 3.691 1.784 -4.745 1.00 0.00 H new ATOM 0 HB VAL A 82 3.411 1.293 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.055 1.924 -2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.157 3.267 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.398 2.334 -3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.768 -0.415 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.142 -0.102 -4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.391 -0.775 -3.052 1.00 0.00 H new ATOM 1177 N THR A 83 4.254 4.150 -4.268 1.00 0.00 N ATOM 1178 CA THR A 83 4.598 5.547 -4.037 1.00 0.00 C ATOM 1179 C THR A 83 3.376 6.352 -3.611 1.00 0.00 C ATOM 1180 O THR A 83 2.263 6.102 -4.075 1.00 0.00 O ATOM 1181 CB THR A 83 5.208 6.191 -5.297 1.00 0.00 C ATOM 1182 OG1 THR A 83 6.395 5.486 -5.681 1.00 0.00 O ATOM 1183 CG2 THR A 83 5.540 7.655 -5.050 1.00 0.00 C ATOM 0 H THR A 83 3.818 3.967 -5.172 1.00 0.00 H new ATOM 0 HA THR A 83 5.337 5.561 -3.236 1.00 0.00 H new ATOM 0 HB THR A 83 4.474 6.132 -6.100 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.776 5.900 -6.483 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.969 8.088 -5.953 1.00 0.00 H new ATOM 0 HG22 THR A 83 4.631 8.195 -4.786 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.258 7.733 -4.234 1.00 0.00 H new ATOM 1191 N TYR A 84 3.589 7.318 -2.725 1.00 0.00 N ATOM 1192 CA TYR A 84 2.504 8.158 -2.234 1.00 0.00 C ATOM 1193 C TYR A 84 3.022 9.533 -1.821 1.00 0.00 C ATOM 1194 O TYR A 84 3.988 9.642 -1.066 1.00 0.00 O ATOM 1195 CB TYR A 84 1.806 7.487 -1.050 1.00 0.00 C ATOM 1196 CG TYR A 84 2.449 7.794 0.284 1.00 0.00 C ATOM 1197 CD1 TYR A 84 2.085 8.922 1.009 1.00 0.00 C ATOM 1198 CD2 TYR A 84 3.420 6.957 0.819 1.00 0.00 C ATOM 1199 CE1 TYR A 84 2.670 9.207 2.228 1.00 0.00 C ATOM 1200 CE2 TYR A 84 4.009 7.233 2.038 1.00 0.00 C ATOM 1201 CZ TYR A 84 3.631 8.359 2.738 1.00 0.00 C ATOM 1202 OH TYR A 84 4.216 8.639 3.952 1.00 0.00 O ATOM 0 H TYR A 84 4.504 7.539 -2.332 1.00 0.00 H new ATOM 0 HA TYR A 84 1.786 8.289 -3.044 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.764 7.807 -1.024 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.804 6.408 -1.204 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.332 9.587 0.613 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.720 6.075 0.273 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.376 10.089 2.778 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.761 6.570 2.440 1.00 0.00 H new ATOM 0 HH TYR A 84 3.938 7.969 4.611 1.00 0.00 H new ATOM 1212 N ILE A 85 2.373 10.578 -2.323 1.00 0.00 N ATOM 1213 CA ILE A 85 2.767 11.945 -2.006 1.00 0.00 C ATOM 1214 C ILE A 85 1.815 12.569 -0.991 1.00 0.00 C ATOM 1215 O ILE A 85 0.681 12.931 -1.306 1.00 0.00 O ATOM 1216 CB ILE A 85 2.804 12.827 -3.268 1.00 0.00 C ATOM 1217 CG1 ILE A 85 3.827 12.282 -4.266 1.00 0.00 C ATOM 1218 CG2 ILE A 85 3.131 14.266 -2.898 1.00 0.00 C ATOM 1219 CD1 ILE A 85 3.620 12.784 -5.678 1.00 0.00 C ATOM 0 H ILE A 85 1.572 10.504 -2.951 1.00 0.00 H new ATOM 0 HA ILE A 85 3.768 11.894 -1.579 1.00 0.00 H new ATOM 0 HB ILE A 85 1.820 12.808 -3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.828 12.557 -3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.779 11.193 -4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.154 14.877 -3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.369 14.649 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.105 14.304 -2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.381 12.357 -6.331 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.632 12.486 -6.029 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.698 13.871 -5.693 1.00 0.00 H new ATOM 1231 N PRO A 86 2.286 12.702 0.258 1.00 0.00 N ATOM 1232 CA PRO A 86 1.494 13.286 1.345 1.00 0.00 C ATOM 1233 C PRO A 86 1.275 14.784 1.163 1.00 0.00 C ATOM 1234 O PRO A 86 2.101 15.596 1.580 1.00 0.00 O ATOM 1235 CB PRO A 86 2.345 13.016 2.588 1.00 0.00 C ATOM 1236 CG PRO A 86 3.739 12.902 2.076 1.00 0.00 C ATOM 1237 CD PRO A 86 3.628 12.293 0.705 1.00 0.00 C ATOM 0 HA PRO A 86 0.493 12.858 1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.255 13.825 3.313 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.032 12.101 3.091 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.219 13.879 2.031 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.346 12.278 2.732 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.405 12.664 0.036 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.727 11.208 0.738 1.00 0.00 H new ATOM 1245 N ASP A 87 0.159 15.143 0.539 1.00 0.00 N ATOM 1246 CA ASP A 87 -0.169 16.544 0.304 1.00 0.00 C ATOM 1247 C ASP A 87 -0.726 17.192 1.568 1.00 0.00 C ATOM 1248 O ASP A 87 -0.323 18.292 1.944 1.00 0.00 O ATOM 1249 CB ASP A 87 -1.180 16.669 -0.837 1.00 0.00 C ATOM 1250 CG ASP A 87 -0.514 16.732 -2.197 1.00 0.00 C ATOM 1251 OD1 ASP A 87 0.654 16.303 -2.305 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -1.160 17.209 -3.153 1.00 0.00 O ATOM 0 H ASP A 87 -0.534 14.483 0.187 1.00 0.00 H new ATOM 0 HA ASP A 87 0.747 17.064 0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.862 15.819 -0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.782 17.566 -0.689 1.00 0.00 H new ATOM 1257 N LYS A 88 -1.657 16.502 2.218 1.00 0.00 N ATOM 1258 CA LYS A 88 -2.271 17.008 3.440 1.00 0.00 C ATOM 1259 C LYS A 88 -1.463 16.595 4.667 1.00 0.00 C ATOM 1260 O LYS A 88 -1.753 15.581 5.302 1.00 0.00 O ATOM 1261 CB LYS A 88 -3.706 16.494 3.565 1.00 0.00 C ATOM 1262 CG LYS A 88 -4.683 17.184 2.629 1.00 0.00 C ATOM 1263 CD LYS A 88 -5.350 18.374 3.297 1.00 0.00 C ATOM 1264 CE LYS A 88 -4.625 19.672 2.976 1.00 0.00 C ATOM 1265 NZ LYS A 88 -4.726 20.654 4.091 1.00 0.00 N ATOM 0 H LYS A 88 -2.003 15.590 1.919 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.285 18.097 3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.718 15.423 3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.043 16.629 4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.158 17.516 1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.444 16.473 2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.387 18.444 2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.368 18.224 4.376 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.575 19.461 2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.045 20.108 2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.219 21.525 3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.726 20.875 4.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.303 20.249 4.950 1.00 0.00 H new ATOM 1279 N THR A 89 -0.448 17.389 4.996 1.00 0.00 N ATOM 1280 CA THR A 89 0.401 17.106 6.146 1.00 0.00 C ATOM 1281 C THR A 89 -0.434 16.821 7.389 1.00 0.00 C ATOM 1282 O THR A 89 -1.450 17.472 7.629 1.00 0.00 O ATOM 1283 CB THR A 89 1.357 18.277 6.440 1.00 0.00 C ATOM 1284 OG1 THR A 89 0.608 19.481 6.644 1.00 0.00 O ATOM 1285 CG2 THR A 89 2.341 18.473 5.297 1.00 0.00 C ATOM 0 H THR A 89 -0.195 18.233 4.482 1.00 0.00 H new ATOM 0 HA THR A 89 0.988 16.222 5.896 1.00 0.00 H new ATOM 0 HB THR A 89 1.918 18.041 7.344 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.223 20.221 6.832 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.006 19.306 5.528 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.929 17.565 5.164 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.794 18.689 4.379 1.00 0.00 H new ATOM 1293 N GLY A 90 0.002 15.844 8.179 1.00 0.00 N ATOM 1294 CA GLY A 90 -0.718 15.492 9.389 1.00 0.00 C ATOM 1295 C GLY A 90 -0.697 14.001 9.662 1.00 0.00 C ATOM 1296 O GLY A 90 0.365 13.379 9.672 1.00 0.00 O ATOM 0 H GLY A 90 0.840 15.290 8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.279 16.020 10.236 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.751 15.828 9.304 1.00 0.00 H new ATOM 1300 N ARG A 91 -1.874 13.426 9.885 1.00 0.00 N ATOM 1301 CA ARG A 91 -1.987 11.999 10.162 1.00 0.00 C ATOM 1302 C ARG A 91 -2.396 11.232 8.908 1.00 0.00 C ATOM 1303 O ARG A 91 -3.216 11.703 8.119 1.00 0.00 O ATOM 1304 CB ARG A 91 -3.006 11.753 11.277 1.00 0.00 C ATOM 1305 CG ARG A 91 -2.445 11.972 12.673 1.00 0.00 C ATOM 1306 CD ARG A 91 -3.520 11.813 13.736 1.00 0.00 C ATOM 1307 NE ARG A 91 -3.175 12.509 14.973 1.00 0.00 N ATOM 1308 CZ ARG A 91 -4.047 12.762 15.942 1.00 0.00 C ATOM 1309 NH1 ARG A 91 -5.310 12.379 15.819 1.00 0.00 N ATOM 1310 NH2 ARG A 91 -3.656 13.400 17.038 1.00 0.00 N ATOM 0 H ARG A 91 -2.763 13.926 9.879 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.010 11.639 10.485 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.860 12.414 11.130 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.377 10.731 11.200 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.640 11.261 12.859 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.011 12.969 12.739 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.466 12.198 13.355 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.668 10.754 13.946 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.211 12.818 15.099 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.615 11.888 14.978 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.977 12.575 16.565 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.685 13.696 17.137 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.326 13.594 17.782 1.00 0.00 H new ATOM 1324 N TYR A 92 -1.818 10.049 8.730 1.00 0.00 N ATOM 1325 CA TYR A 92 -2.119 9.218 7.570 1.00 0.00 C ATOM 1326 C TYR A 92 -2.376 7.773 7.987 1.00 0.00 C ATOM 1327 O TYR A 92 -1.637 7.208 8.793 1.00 0.00 O ATOM 1328 CB TYR A 92 -0.969 9.274 6.564 1.00 0.00 C ATOM 1329 CG TYR A 92 -0.994 10.502 5.683 1.00 0.00 C ATOM 1330 CD1 TYR A 92 -2.148 10.868 5.001 1.00 0.00 C ATOM 1331 CD2 TYR A 92 0.136 11.296 5.531 1.00 0.00 C ATOM 1332 CE1 TYR A 92 -2.176 11.989 4.194 1.00 0.00 C ATOM 1333 CE2 TYR A 92 0.117 12.419 4.727 1.00 0.00 C ATOM 1334 CZ TYR A 92 -1.041 12.762 4.061 1.00 0.00 C ATOM 1335 OH TYR A 92 -1.064 13.879 3.258 1.00 0.00 O ATOM 0 H TYR A 92 -1.139 9.644 9.374 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.022 9.607 7.100 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.023 9.244 7.105 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.005 8.385 5.935 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -3.039 10.266 5.104 1.00 0.00 H new ATOM 0 HD2 TYR A 92 1.045 11.031 6.050 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -3.081 12.259 3.670 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.004 13.025 4.620 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.283 14.438 3.453 1.00 0.00 H new ATOM 1345 N MET A 93 -3.428 7.182 7.431 1.00 0.00 N ATOM 1346 CA MET A 93 -3.782 5.802 7.743 1.00 0.00 C ATOM 1347 C MET A 93 -3.780 4.942 6.483 1.00 0.00 C ATOM 1348 O MET A 93 -4.628 5.109 5.606 1.00 0.00 O ATOM 1349 CB MET A 93 -5.157 5.744 8.412 1.00 0.00 C ATOM 1350 CG MET A 93 -5.385 4.480 9.225 1.00 0.00 C ATOM 1351 SD MET A 93 -6.944 4.507 10.129 1.00 0.00 S ATOM 1352 CE MET A 93 -6.484 5.470 11.568 1.00 0.00 C ATOM 0 H MET A 93 -4.050 7.636 6.763 1.00 0.00 H new ATOM 0 HA MET A 93 -3.034 5.408 8.432 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.272 6.611 9.063 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.928 5.817 7.645 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.371 3.617 8.559 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.563 4.353 9.930 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.346 5.575 12.226 1.00 0.00 H new ATOM 0 HE2 MET A 93 -5.679 4.965 12.102 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.146 6.457 11.252 1.00 0.00 H new ATOM 1362 N ILE A 94 -2.824 4.023 6.401 1.00 0.00 N ATOM 1363 CA ILE A 94 -2.713 3.138 5.248 1.00 0.00 C ATOM 1364 C ILE A 94 -3.237 1.743 5.575 1.00 0.00 C ATOM 1365 O ILE A 94 -2.896 1.166 6.606 1.00 0.00 O ATOM 1366 CB ILE A 94 -1.256 3.026 4.762 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -0.693 4.413 4.447 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -1.174 2.125 3.539 1.00 0.00 C ATOM 1369 CD1 ILE A 94 0.816 4.484 4.524 1.00 0.00 C ATOM 0 H ILE A 94 -2.115 3.872 7.119 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.319 3.575 4.454 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.656 2.583 5.557 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.012 4.707 3.447 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.119 5.136 5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.138 2.056 3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.541 1.131 3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.784 2.542 2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.145 5.496 4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.142 4.221 5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.250 3.786 3.808 1.00 0.00 H new ATOM 1381 N GLY A 95 -4.067 1.206 4.686 1.00 0.00 N ATOM 1382 CA GLY A 95 -4.624 -0.118 4.897 1.00 0.00 C ATOM 1383 C GLY A 95 -4.198 -1.103 3.826 1.00 0.00 C ATOM 1384 O GLY A 95 -4.816 -1.183 2.765 1.00 0.00 O ATOM 0 H GLY A 95 -4.364 1.664 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.311 -0.489 5.873 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.712 -0.053 4.914 1.00 0.00 H new ATOM 1388 N VAL A 96 -3.137 -1.854 4.104 1.00 0.00 N ATOM 1389 CA VAL A 96 -2.628 -2.839 3.156 1.00 0.00 C ATOM 1390 C VAL A 96 -3.403 -4.148 3.254 1.00 0.00 C ATOM 1391 O VAL A 96 -3.771 -4.585 4.345 1.00 0.00 O ATOM 1392 CB VAL A 96 -1.132 -3.122 3.390 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -0.632 -4.182 2.421 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -0.321 -1.841 3.259 1.00 0.00 C ATOM 0 H VAL A 96 -2.613 -1.799 4.978 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.759 -2.417 2.160 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.005 -3.502 4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.427 -4.369 2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.194 -5.104 2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.770 -3.833 1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.734 -2.059 3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.451 -1.429 2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.664 -1.116 3.997 1.00 0.00 H new ATOM 1404 N THR A 97 -3.649 -4.771 2.106 1.00 0.00 N ATOM 1405 CA THR A 97 -4.382 -6.030 2.061 1.00 0.00 C ATOM 1406 C THR A 97 -3.756 -6.995 1.060 1.00 0.00 C ATOM 1407 O THR A 97 -3.214 -6.577 0.037 1.00 0.00 O ATOM 1408 CB THR A 97 -5.860 -5.808 1.689 1.00 0.00 C ATOM 1409 OG1 THR A 97 -5.952 -4.991 0.516 1.00 0.00 O ATOM 1410 CG2 THR A 97 -6.613 -5.148 2.833 1.00 0.00 C ATOM 0 H THR A 97 -3.351 -4.424 1.194 1.00 0.00 H new ATOM 0 HA THR A 97 -4.329 -6.462 3.060 1.00 0.00 H new ATOM 0 HB THR A 97 -6.312 -6.780 1.491 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.593 -4.267 0.671 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.654 -5.002 2.547 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.566 -5.786 3.716 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.159 -4.183 3.058 1.00 0.00 H new ATOM 1418 N TYR A 98 -3.836 -8.286 1.361 1.00 0.00 N ATOM 1419 CA TYR A 98 -3.276 -9.310 0.487 1.00 0.00 C ATOM 1420 C TYR A 98 -4.235 -10.488 0.344 1.00 0.00 C ATOM 1421 O TYR A 98 -4.485 -11.219 1.302 1.00 0.00 O ATOM 1422 CB TYR A 98 -1.931 -9.795 1.031 1.00 0.00 C ATOM 1423 CG TYR A 98 -0.970 -10.248 -0.044 1.00 0.00 C ATOM 1424 CD1 TYR A 98 -0.321 -9.326 -0.856 1.00 0.00 C ATOM 1425 CD2 TYR A 98 -0.711 -11.598 -0.248 1.00 0.00 C ATOM 1426 CE1 TYR A 98 0.558 -9.736 -1.841 1.00 0.00 C ATOM 1427 CE2 TYR A 98 0.167 -12.016 -1.229 1.00 0.00 C ATOM 1428 CZ TYR A 98 0.798 -11.082 -2.023 1.00 0.00 C ATOM 1429 OH TYR A 98 1.674 -11.493 -3.002 1.00 0.00 O ATOM 0 H TYR A 98 -4.283 -8.648 2.203 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.124 -8.868 -0.498 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.469 -8.991 1.604 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.104 -10.620 1.722 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.506 -8.271 -0.715 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.205 -12.333 0.371 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.054 -9.007 -2.464 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.358 -13.069 -1.373 1.00 0.00 H new ATOM 0 HH TYR A 98 2.486 -11.851 -2.585 1.00 0.00 H new ATOM 1439 N GLY A 99 -4.767 -10.667 -0.861 1.00 0.00 N ATOM 1440 CA GLY A 99 -5.692 -11.758 -1.109 1.00 0.00 C ATOM 1441 C GLY A 99 -7.028 -11.553 -0.422 1.00 0.00 C ATOM 1442 O GLY A 99 -7.566 -12.474 0.191 1.00 0.00 O ATOM 0 H GLY A 99 -4.574 -10.076 -1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.851 -11.859 -2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.249 -12.692 -0.763 1.00 0.00 H new ATOM 1446 N GLY A 100 -7.563 -10.340 -0.521 1.00 0.00 N ATOM 1447 CA GLY A 100 -8.839 -10.039 0.102 1.00 0.00 C ATOM 1448 C GLY A 100 -8.799 -10.197 1.609 1.00 0.00 C ATOM 1449 O GLY A 100 -9.794 -10.578 2.227 1.00 0.00 O ATOM 0 H GLY A 100 -7.136 -9.561 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.129 -9.018 -0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.605 -10.697 -0.309 1.00 0.00 H new ATOM 1453 N ASP A 101 -7.647 -9.905 2.203 1.00 0.00 N ATOM 1454 CA ASP A 101 -7.481 -10.017 3.647 1.00 0.00 C ATOM 1455 C ASP A 101 -6.434 -9.029 4.152 1.00 0.00 C ATOM 1456 O ASP A 101 -5.263 -9.107 3.781 1.00 0.00 O ATOM 1457 CB ASP A 101 -7.079 -11.444 4.027 1.00 0.00 C ATOM 1458 CG ASP A 101 -8.273 -12.372 4.134 1.00 0.00 C ATOM 1459 OD1 ASP A 101 -9.339 -11.917 4.598 1.00 0.00 O ATOM 1460 OD2 ASP A 101 -8.141 -13.554 3.754 1.00 0.00 O ATOM 0 H ASP A 101 -6.814 -9.589 1.706 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.435 -9.779 4.117 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.385 -11.834 3.282 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.548 -11.428 4.979 1.00 0.00 H new ATOM 1465 N ASP A 102 -6.864 -8.101 4.999 1.00 0.00 N ATOM 1466 CA ASP A 102 -5.964 -7.097 5.556 1.00 0.00 C ATOM 1467 C ASP A 102 -5.014 -7.723 6.572 1.00 0.00 C ATOM 1468 O ASP A 102 -5.396 -8.622 7.322 1.00 0.00 O ATOM 1469 CB ASP A 102 -6.765 -5.972 6.213 1.00 0.00 C ATOM 1470 CG ASP A 102 -8.093 -6.452 6.764 1.00 0.00 C ATOM 1471 OD1 ASP A 102 -8.093 -7.422 7.550 1.00 0.00 O ATOM 1472 OD2 ASP A 102 -9.133 -5.857 6.410 1.00 0.00 O ATOM 0 H ASP A 102 -7.831 -8.023 5.315 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.372 -6.682 4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.177 -5.535 7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.942 -5.182 5.483 1.00 0.00 H new ATOM 1477 N ILE A 103 -3.776 -7.242 6.590 1.00 0.00 N ATOM 1478 CA ILE A 103 -2.772 -7.754 7.514 1.00 0.00 C ATOM 1479 C ILE A 103 -3.020 -7.250 8.932 1.00 0.00 C ATOM 1480 O ILE A 103 -3.616 -6.194 9.146 1.00 0.00 O ATOM 1481 CB ILE A 103 -1.350 -7.352 7.080 1.00 0.00 C ATOM 1482 CG1 ILE A 103 -1.246 -5.832 6.942 1.00 0.00 C ATOM 1483 CG2 ILE A 103 -0.982 -8.035 5.772 1.00 0.00 C ATOM 1484 CD1 ILE A 103 0.115 -5.358 6.483 1.00 0.00 C ATOM 0 H ILE A 103 -3.444 -6.499 5.975 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.855 -8.841 7.498 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.647 -7.677 7.847 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.000 -5.487 6.234 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.477 -5.372 7.903 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.026 -7.741 5.479 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.021 -9.116 5.903 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.687 -7.738 4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.115 -4.271 6.407 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.871 -5.672 7.202 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.341 -5.789 5.508 1.00 0.00 H new ATOM 1496 N PRO A 104 -2.552 -8.020 9.925 1.00 0.00 N ATOM 1497 CA PRO A 104 -2.710 -7.670 11.340 1.00 0.00 C ATOM 1498 C PRO A 104 -1.859 -6.470 11.738 1.00 0.00 C ATOM 1499 O PRO A 104 -1.782 -6.113 12.915 1.00 0.00 O ATOM 1500 CB PRO A 104 -2.236 -8.928 12.071 1.00 0.00 C ATOM 1501 CG PRO A 104 -1.302 -9.592 11.118 1.00 0.00 C ATOM 1502 CD PRO A 104 -1.833 -9.292 9.743 1.00 0.00 C ATOM 0 HA PRO A 104 -3.734 -7.383 11.577 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -1.735 -8.677 13.006 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.073 -9.579 12.323 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -0.287 -9.211 11.236 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -1.262 -10.667 11.295 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -1.029 -9.198 9.013 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -2.496 -10.081 9.387 1.00 0.00 H new ATOM 1510 N LEU A 105 -1.221 -5.849 10.752 1.00 0.00 N ATOM 1511 CA LEU A 105 -0.375 -4.686 11.000 1.00 0.00 C ATOM 1512 C LEU A 105 -1.102 -3.396 10.633 1.00 0.00 C ATOM 1513 O LEU A 105 -0.811 -2.332 11.179 1.00 0.00 O ATOM 1514 CB LEU A 105 0.925 -4.798 10.201 1.00 0.00 C ATOM 1515 CG LEU A 105 1.707 -6.100 10.371 1.00 0.00 C ATOM 1516 CD1 LEU A 105 2.757 -6.239 9.280 1.00 0.00 C ATOM 1517 CD2 LEU A 105 2.355 -6.158 11.747 1.00 0.00 C ATOM 0 H LEU A 105 -1.273 -6.131 9.773 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.139 -4.658 12.064 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.690 -4.674 9.144 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.574 -3.969 10.483 1.00 0.00 H new ATOM 0 HG LEU A 105 1.010 -6.933 10.284 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.304 -7.172 9.418 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.270 -6.244 8.305 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.451 -5.400 9.334 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.907 -7.092 11.850 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.039 -5.317 11.863 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.583 -6.106 12.515 1.00 0.00 H new ATOM 1529 N SER A 106 -2.049 -3.499 9.707 1.00 0.00 N ATOM 1530 CA SER A 106 -2.817 -2.340 9.266 1.00 0.00 C ATOM 1531 C SER A 106 -3.987 -2.073 10.209 1.00 0.00 C ATOM 1532 O SER A 106 -4.479 -2.967 10.897 1.00 0.00 O ATOM 1533 CB SER A 106 -3.333 -2.555 7.843 1.00 0.00 C ATOM 1534 OG SER A 106 -4.627 -3.134 7.851 1.00 0.00 O ATOM 0 H SER A 106 -2.303 -4.373 9.247 1.00 0.00 H new ATOM 0 HA SER A 106 -2.158 -1.472 9.278 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.361 -1.602 7.315 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.645 -3.201 7.297 1.00 0.00 H new ATOM 0 HG SER A 106 -4.935 -3.260 6.929 1.00 0.00 H new ATOM 1540 N PRO A 107 -4.443 -0.812 10.241 1.00 0.00 N ATOM 1541 CA PRO A 107 -3.864 0.260 9.427 1.00 0.00 C ATOM 1542 C PRO A 107 -2.465 0.651 9.892 1.00 0.00 C ATOM 1543 O PRO A 107 -1.915 0.045 10.812 1.00 0.00 O ATOM 1544 CB PRO A 107 -4.838 1.424 9.628 1.00 0.00 C ATOM 1545 CG PRO A 107 -5.476 1.160 10.948 1.00 0.00 C ATOM 1546 CD PRO A 107 -5.559 -0.336 11.076 1.00 0.00 C ATOM 0 HA PRO A 107 -3.744 -0.039 8.386 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.317 2.381 9.625 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.580 1.462 8.830 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -4.887 1.589 11.759 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.467 1.612 11.000 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -5.451 -0.657 12.112 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.517 -0.717 10.722 1.00 0.00 H new ATOM 1554 N TYR A 108 -1.896 1.665 9.251 1.00 0.00 N ATOM 1555 CA TYR A 108 -0.560 2.135 9.598 1.00 0.00 C ATOM 1556 C TYR A 108 -0.600 3.580 10.087 1.00 0.00 C ATOM 1557 O TYR A 108 -1.235 4.437 9.473 1.00 0.00 O ATOM 1558 CB TYR A 108 0.374 2.019 8.392 1.00 0.00 C ATOM 1559 CG TYR A 108 0.974 0.642 8.222 1.00 0.00 C ATOM 1560 CD1 TYR A 108 0.189 -0.438 7.838 1.00 0.00 C ATOM 1561 CD2 TYR A 108 2.328 0.421 8.444 1.00 0.00 C ATOM 1562 CE1 TYR A 108 0.733 -1.698 7.682 1.00 0.00 C ATOM 1563 CE2 TYR A 108 2.882 -0.836 8.289 1.00 0.00 C ATOM 1564 CZ TYR A 108 2.080 -1.892 7.909 1.00 0.00 C ATOM 1565 OH TYR A 108 2.627 -3.145 7.753 1.00 0.00 O ATOM 0 H TYR A 108 -2.339 2.178 8.488 1.00 0.00 H new ATOM 0 HA TYR A 108 -0.181 1.508 10.405 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.178 2.280 7.489 1.00 0.00 H new ATOM 0 HB3 TYR A 108 1.179 2.747 8.495 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.866 -0.290 7.658 1.00 0.00 H new ATOM 0 HD2 TYR A 108 2.958 1.246 8.743 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.108 -2.527 7.384 1.00 0.00 H new ATOM 0 HE2 TYR A 108 3.936 -0.990 8.464 1.00 0.00 H new ATOM 0 HH TYR A 108 3.586 -3.110 7.950 1.00 0.00 H new ATOM 1575 N ARG A 109 0.084 3.842 11.196 1.00 0.00 N ATOM 1576 CA ARG A 109 0.127 5.182 11.768 1.00 0.00 C ATOM 1577 C ARG A 109 1.373 5.931 11.306 1.00 0.00 C ATOM 1578 O ARG A 109 2.498 5.522 11.596 1.00 0.00 O ATOM 1579 CB ARG A 109 0.101 5.108 13.296 1.00 0.00 C ATOM 1580 CG ARG A 109 -1.296 4.949 13.874 1.00 0.00 C ATOM 1581 CD ARG A 109 -1.371 5.470 15.301 1.00 0.00 C ATOM 1582 NE ARG A 109 -1.264 6.925 15.359 1.00 0.00 N ATOM 1583 CZ ARG A 109 -1.739 7.658 16.360 1.00 0.00 C ATOM 1584 NH1 ARG A 109 -2.350 7.074 17.382 1.00 0.00 N ATOM 1585 NH2 ARG A 109 -1.603 8.978 16.341 1.00 0.00 N ATOM 0 H ARG A 109 0.616 3.144 11.716 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.752 5.726 11.422 1.00 0.00 H new ATOM 0 HB2 ARG A 109 0.717 4.270 13.621 1.00 0.00 H new ATOM 0 HB3 ARG A 109 0.553 6.013 13.703 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.012 5.486 13.251 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -1.582 3.897 13.854 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.313 5.158 15.752 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -0.571 5.024 15.892 1.00 0.00 H new ATOM 0 HE ARG A 109 -0.799 7.405 14.589 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -2.456 6.060 17.401 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -2.714 7.639 18.149 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -1.133 9.431 15.557 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -1.968 9.539 17.110 1.00 0.00 H new ATOM 1599 N ILE A 110 1.165 7.028 10.586 1.00 0.00 N ATOM 1600 CA ILE A 110 2.271 7.834 10.085 1.00 0.00 C ATOM 1601 C ILE A 110 1.973 9.323 10.222 1.00 0.00 C ATOM 1602 O ILE A 110 0.817 9.743 10.160 1.00 0.00 O ATOM 1603 CB ILE A 110 2.575 7.516 8.608 1.00 0.00 C ATOM 1604 CG1 ILE A 110 2.712 6.006 8.407 1.00 0.00 C ATOM 1605 CG2 ILE A 110 3.840 8.233 8.162 1.00 0.00 C ATOM 1606 CD1 ILE A 110 2.912 5.605 6.962 1.00 0.00 C ATOM 0 H ILE A 110 0.240 7.379 10.336 1.00 0.00 H new ATOM 0 HA ILE A 110 3.143 7.584 10.689 1.00 0.00 H new ATOM 0 HB ILE A 110 1.745 7.871 7.996 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.555 5.644 8.996 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.819 5.514 8.792 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.042 7.999 7.117 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.707 9.309 8.273 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.679 7.906 8.776 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.001 4.521 6.894 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.058 5.936 6.371 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.821 6.069 6.578 1.00 0.00 H new ATOM 1618 N ARG A 111 3.023 10.117 10.406 1.00 0.00 N ATOM 1619 CA ARG A 111 2.874 11.560 10.551 1.00 0.00 C ATOM 1620 C ARG A 111 3.760 12.301 9.554 1.00 0.00 C ATOM 1621 O ARG A 111 4.984 12.171 9.581 1.00 0.00 O ATOM 1622 CB ARG A 111 3.222 11.989 11.977 1.00 0.00 C ATOM 1623 CG ARG A 111 2.178 11.587 13.006 1.00 0.00 C ATOM 1624 CD ARG A 111 2.669 11.837 14.424 1.00 0.00 C ATOM 1625 NE ARG A 111 3.595 10.801 14.873 1.00 0.00 N ATOM 1626 CZ ARG A 111 4.500 10.988 15.828 1.00 0.00 C ATOM 1627 NH1 ARG A 111 4.598 12.164 16.431 1.00 0.00 N ATOM 1628 NH2 ARG A 111 5.308 9.996 16.181 1.00 0.00 N ATOM 0 H ARG A 111 3.986 9.785 10.458 1.00 0.00 H new ATOM 0 HA ARG A 111 1.834 11.815 10.346 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.181 11.552 12.255 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.346 13.072 12.002 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.260 12.149 12.833 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.934 10.532 12.885 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.161 12.808 14.471 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.816 11.879 15.101 1.00 0.00 H new ATOM 0 HE ARG A 111 3.544 9.884 14.429 1.00 0.00 H new ATOM 0 HH11 ARG A 111 3.978 12.928 16.162 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.293 12.305 17.164 1.00 0.00 H new ATOM 0 HH21 ARG A 111 5.235 9.090 15.719 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.002 10.140 16.914 1.00 0.00 H new ATOM 1642 N ALA A 112 3.134 13.077 8.676 1.00 0.00 N ATOM 1643 CA ALA A 112 3.866 13.839 7.672 1.00 0.00 C ATOM 1644 C ALA A 112 4.425 15.129 8.262 1.00 0.00 C ATOM 1645 O ALA A 112 3.680 16.066 8.554 1.00 0.00 O ATOM 1646 CB ALA A 112 2.966 14.147 6.484 1.00 0.00 C ATOM 0 H ALA A 112 2.121 13.195 8.640 1.00 0.00 H new ATOM 0 HA ALA A 112 4.705 13.232 7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.525 14.716 5.742 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.618 13.214 6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.109 14.731 6.819 1.00 0.00 H new ATOM 1652 N THR A 113 5.742 15.173 8.437 1.00 0.00 N ATOM 1653 CA THR A 113 6.401 16.347 8.995 1.00 0.00 C ATOM 1654 C THR A 113 7.092 17.159 7.905 1.00 0.00 C ATOM 1655 O THR A 113 7.677 16.599 6.979 1.00 0.00 O ATOM 1656 CB THR A 113 7.439 15.955 10.063 1.00 0.00 C ATOM 1657 OG1 THR A 113 8.101 17.125 10.555 1.00 0.00 O ATOM 1658 CG2 THR A 113 8.465 14.988 9.491 1.00 0.00 C ATOM 0 H THR A 113 6.374 14.408 8.200 1.00 0.00 H new ATOM 0 HA THR A 113 5.624 16.954 9.460 1.00 0.00 H new ATOM 0 HB THR A 113 6.916 15.462 10.883 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.758 16.868 11.235 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.188 14.725 10.264 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.961 14.086 9.144 1.00 0.00 H new ATOM 0 HG23 THR A 113 8.982 15.459 8.655 1.00 0.00 H new ATOM 1666 N GLN A 114 7.020 18.481 8.023 1.00 0.00 N ATOM 1667 CA GLN A 114 7.640 19.369 7.047 1.00 0.00 C ATOM 1668 C GLN A 114 8.401 20.494 7.741 1.00 0.00 C ATOM 1669 O GLN A 114 7.802 21.445 8.246 1.00 0.00 O ATOM 1670 CB GLN A 114 6.579 19.955 6.114 1.00 0.00 C ATOM 1671 CG GLN A 114 7.114 20.323 4.739 1.00 0.00 C ATOM 1672 CD GLN A 114 6.112 21.105 3.913 1.00 0.00 C ATOM 1673 OE1 GLN A 114 5.176 21.698 4.449 1.00 0.00 O ATOM 1674 NE2 GLN A 114 6.303 21.110 2.599 1.00 0.00 N ATOM 0 H GLN A 114 6.539 18.960 8.784 1.00 0.00 H new ATOM 0 HA GLN A 114 8.348 18.785 6.459 1.00 0.00 H new ATOM 0 HB2 GLN A 114 5.770 19.234 5.999 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.150 20.843 6.578 1.00 0.00 H new ATOM 0 HG2 GLN A 114 8.024 20.912 4.853 1.00 0.00 H new ATOM 0 HG3 GLN A 114 7.388 19.413 4.205 1.00 0.00 H new ATOM 0 HE21 GLN A 114 7.092 20.605 2.196 1.00 0.00 H new ATOM 0 HE22 GLN A 114 5.660 21.619 1.992 1.00 0.00 H new ATOM 1683 N THR A 115 9.725 20.381 7.762 1.00 0.00 N ATOM 1684 CA THR A 115 10.568 21.388 8.395 1.00 0.00 C ATOM 1685 C THR A 115 10.652 22.649 7.543 1.00 0.00 C ATOM 1686 O THR A 115 10.532 23.763 8.052 1.00 0.00 O ATOM 1687 CB THR A 115 11.992 20.854 8.641 1.00 0.00 C ATOM 1688 OG1 THR A 115 12.554 20.373 7.415 1.00 0.00 O ATOM 1689 CG2 THR A 115 11.979 19.735 9.672 1.00 0.00 C ATOM 0 H THR A 115 10.237 19.602 7.348 1.00 0.00 H new ATOM 0 HA THR A 115 10.107 21.629 9.353 1.00 0.00 H new ATOM 0 HB THR A 115 12.602 21.672 9.023 1.00 0.00 H new ATOM 0 HG1 THR A 115 13.460 20.037 7.580 1.00 0.00 H new ATOM 0 HG21 THR A 115 12.995 19.374 9.829 1.00 0.00 H new ATOM 0 HG22 THR A 115 11.578 20.112 10.613 1.00 0.00 H new ATOM 0 HG23 THR A 115 11.354 18.917 9.313 1.00 0.00 H new ATOM 1697 N GLY A 116 10.857 22.467 6.242 1.00 0.00 N ATOM 1698 CA GLY A 116 10.952 23.601 5.340 1.00 0.00 C ATOM 1699 C GLY A 116 9.793 23.665 4.366 1.00 0.00 C ATOM 1700 O GLY A 116 8.696 23.193 4.664 1.00 0.00 O ATOM 0 H GLY A 116 10.959 21.555 5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 116 10.985 24.522 5.922 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.887 23.541 4.784 1.00 0.00 H new ATOM 1704 N ASP A 117 10.035 24.253 3.199 1.00 0.00 N ATOM 1705 CA ASP A 117 9.002 24.379 2.178 1.00 0.00 C ATOM 1706 C ASP A 117 9.594 24.204 0.783 1.00 0.00 C ATOM 1707 O ASP A 117 10.812 24.177 0.613 1.00 0.00 O ATOM 1708 CB ASP A 117 8.311 25.739 2.286 1.00 0.00 C ATOM 1709 CG ASP A 117 9.265 26.893 2.051 1.00 0.00 C ATOM 1710 OD1 ASP A 117 9.435 27.294 0.881 1.00 0.00 O ATOM 1711 OD2 ASP A 117 9.843 27.396 3.038 1.00 0.00 O ATOM 0 H ASP A 117 10.937 24.650 2.937 1.00 0.00 H new ATOM 0 HA ASP A 117 8.265 23.593 2.342 1.00 0.00 H new ATOM 0 HB2 ASP A 117 7.499 25.789 1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 117 7.862 25.838 3.274 1.00 0.00 H new ATOM 1716 N ALA A 118 8.722 24.084 -0.213 1.00 0.00 N ATOM 1717 CA ALA A 118 9.158 23.912 -1.594 1.00 0.00 C ATOM 1718 C ALA A 118 8.864 25.159 -2.421 1.00 0.00 C ATOM 1719 O ALA A 118 7.796 25.760 -2.298 1.00 0.00 O ATOM 1720 CB ALA A 118 8.486 22.696 -2.212 1.00 0.00 C ATOM 0 H ALA A 118 7.710 24.103 -0.089 1.00 0.00 H new ATOM 0 HA ALA A 118 10.237 23.755 -1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.821 22.580 -3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.750 21.805 -1.642 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.404 22.830 -2.195 1.00 0.00 H new ATOM 1726 N SER A 119 9.818 25.544 -3.263 1.00 0.00 N ATOM 1727 CA SER A 119 9.662 26.722 -4.108 1.00 0.00 C ATOM 1728 C SER A 119 10.260 26.482 -5.491 1.00 0.00 C ATOM 1729 O SER A 119 10.807 25.415 -5.765 1.00 0.00 O ATOM 1730 CB SER A 119 10.329 27.935 -3.455 1.00 0.00 C ATOM 1731 OG SER A 119 11.737 27.783 -3.417 1.00 0.00 O ATOM 0 H SER A 119 10.707 25.057 -3.378 1.00 0.00 H new ATOM 0 HA SER A 119 8.596 26.919 -4.222 1.00 0.00 H new ATOM 0 HB2 SER A 119 10.072 28.838 -4.010 1.00 0.00 H new ATOM 0 HB3 SER A 119 9.946 28.063 -2.442 1.00 0.00 H new ATOM 0 HG SER A 119 12.140 28.571 -2.997 1.00 0.00 H new TER 1737 SER A 119