USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 577 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 41 SER OG : rot 83:sc= 1.21 USER MOD Set 1.2: A 85 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: A 49 GLN : amide:sc= 0.986 K(o=2.1,f=0.099) USER MOD Set 2.2: A 52 LYS NZ :NH3+ -158:sc= 1.07 (180deg=0.736) USER MOD Single : A 42 LYS NZ :NH3+ -179:sc= 1.2 (180deg=1.2) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 75:sc= 0.052 USER MOD Single : A 51 HIS : no HD1:sc= 0.919 K(o=0.92,f=-4.1!) USER MOD Single : A 53 ASN : amide:sc= -0.0878 X(o=-0.088,f=-0.088) USER MOD Single : A 61 GLN : amide:sc= 0.844 K(o=0.84,f=-5.4!) USER MOD Single : A 64 TYR OH : rot 30:sc= -0.373 USER MOD Single : A 66 SER OG : rot 69:sc= 0.967 USER MOD Single : A 68 THR OG1 : rot -166:sc= 0.609 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.24! C(o=-1.2!,f=-10!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.149 USER MOD Single : A 88 SER OG : rot 82:sc= 1.25 USER MOD Single : A 105 CYS SG : rot 76:sc= -1.41 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 35 2.629 -7.702 0.107 1.00 0.00 N ATOM 45 CA LEU A 35 3.256 -9.014 -0.123 1.00 0.00 C ATOM 46 C LEU A 35 2.211 -9.945 -0.748 1.00 0.00 C ATOM 47 O LEU A 35 1.032 -9.619 -0.688 1.00 0.00 O ATOM 48 CB LEU A 35 3.786 -9.601 1.200 1.00 0.00 C ATOM 49 CG LEU A 35 4.825 -8.722 1.930 1.00 0.00 C ATOM 50 CD1 LEU A 35 5.274 -9.432 3.209 1.00 0.00 C ATOM 51 CD2 LEU A 35 6.048 -8.412 1.061 1.00 0.00 C ATOM 0 HA LEU A 35 4.105 -8.906 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.942 -9.772 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.234 -10.574 0.996 1.00 0.00 H new ATOM 0 HG LEU A 35 4.346 -7.771 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.008 -8.816 3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.412 -9.594 3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.722 -10.392 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.746 -7.791 1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.538 -9.343 0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.731 -7.880 0.164 1.00 0.00 H new ATOM 63 N GLU A 36 2.584 -11.105 -1.305 1.00 0.00 N ATOM 64 CA GLU A 36 1.659 -11.924 -2.103 1.00 0.00 C ATOM 65 C GLU A 36 0.390 -12.279 -1.331 1.00 0.00 C ATOM 66 O GLU A 36 -0.710 -11.930 -1.754 1.00 0.00 O ATOM 67 CB GLU A 36 2.372 -13.173 -2.652 1.00 0.00 C ATOM 68 CG GLU A 36 1.455 -14.047 -3.520 1.00 0.00 C ATOM 69 CD GLU A 36 2.233 -15.218 -4.143 1.00 0.00 C ATOM 70 OE1 GLU A 36 2.370 -16.277 -3.485 1.00 0.00 O ATOM 71 OE2 GLU A 36 2.716 -15.088 -5.294 1.00 0.00 O ATOM 0 H GLU A 36 3.521 -11.499 -1.218 1.00 0.00 H new ATOM 0 HA GLU A 36 1.337 -11.324 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.236 -12.864 -3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.750 -13.766 -1.819 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.635 -14.433 -2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.010 -13.441 -4.309 1.00 0.00 H new ATOM 78 N ALA A 37 0.538 -12.931 -0.177 1.00 0.00 N ATOM 79 CA ALA A 37 -0.627 -13.392 0.575 1.00 0.00 C ATOM 80 C ALA A 37 -1.428 -12.207 1.120 1.00 0.00 C ATOM 81 O ALA A 37 -2.658 -12.250 1.156 1.00 0.00 O ATOM 82 CB ALA A 37 -0.214 -14.355 1.695 1.00 0.00 C ATOM 0 H ALA A 37 1.438 -13.149 0.251 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.275 -13.943 -0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.100 -14.682 2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.288 -15.221 1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.465 -13.847 2.380 1.00 0.00 H new ATOM 88 N ASP A 38 -0.743 -11.130 1.508 1.00 0.00 N ATOM 89 CA ASP A 38 -1.372 -9.920 2.038 1.00 0.00 C ATOM 90 C ASP A 38 -2.173 -9.190 0.952 1.00 0.00 C ATOM 91 O ASP A 38 -3.288 -8.732 1.201 1.00 0.00 O ATOM 92 CB ASP A 38 -0.296 -9.002 2.627 1.00 0.00 C ATOM 93 CG ASP A 38 -0.916 -7.799 3.350 1.00 0.00 C ATOM 94 OD1 ASP A 38 -1.635 -8.001 4.355 1.00 0.00 O ATOM 95 OD2 ASP A 38 -0.677 -6.643 2.925 1.00 0.00 O ATOM 0 H ASP A 38 0.274 -11.073 1.462 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.072 -10.204 2.824 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.324 -9.567 3.324 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.360 -8.650 1.830 1.00 0.00 H new ATOM 100 N LEU A 39 -1.636 -9.147 -0.273 1.00 0.00 N ATOM 101 CA LEU A 39 -2.242 -8.538 -1.451 1.00 0.00 C ATOM 102 C LEU A 39 -3.557 -9.227 -1.725 1.00 0.00 C ATOM 103 O LEU A 39 -4.600 -8.574 -1.735 1.00 0.00 O ATOM 104 CB LEU A 39 -1.300 -8.669 -2.673 1.00 0.00 C ATOM 105 CG LEU A 39 -1.816 -8.005 -3.971 1.00 0.00 C ATOM 106 CD1 LEU A 39 -0.625 -7.515 -4.807 1.00 0.00 C ATOM 107 CD2 LEU A 39 -2.661 -8.940 -4.851 1.00 0.00 C ATOM 0 H LEU A 39 -0.724 -9.557 -0.474 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.411 -7.476 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.335 -8.231 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.128 -9.727 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.457 -7.182 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.990 -7.047 -5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.051 -6.788 -4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.013 -8.361 -5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.987 -8.404 -5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.063 -9.803 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.533 -9.277 -4.291 1.00 0.00 H new ATOM 119 N VAL A 40 -3.508 -10.540 -1.939 1.00 0.00 N ATOM 120 CA VAL A 40 -4.681 -11.276 -2.363 1.00 0.00 C ATOM 121 C VAL A 40 -5.743 -11.204 -1.262 1.00 0.00 C ATOM 122 O VAL A 40 -6.901 -10.948 -1.572 1.00 0.00 O ATOM 123 CB VAL A 40 -4.283 -12.687 -2.847 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.225 -12.589 -3.962 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.749 -13.591 -1.734 1.00 0.00 C ATOM 0 H VAL A 40 -2.669 -11.108 -1.824 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.150 -10.826 -3.238 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.200 -13.143 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.953 -13.591 -4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.632 -12.026 -4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.340 -12.081 -3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.490 -14.565 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.862 -13.138 -1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.514 -13.715 -0.967 1.00 0.00 H new ATOM 135 N SER A 41 -5.357 -11.287 0.015 1.00 0.00 N ATOM 136 CA SER A 41 -6.293 -11.219 1.135 1.00 0.00 C ATOM 137 C SER A 41 -6.946 -9.836 1.271 1.00 0.00 C ATOM 138 O SER A 41 -8.164 -9.766 1.412 1.00 0.00 O ATOM 139 CB SER A 41 -5.592 -11.628 2.438 1.00 0.00 C ATOM 140 OG SER A 41 -5.039 -12.930 2.328 1.00 0.00 O ATOM 0 H SER A 41 -4.384 -11.403 0.299 1.00 0.00 H new ATOM 0 HA SER A 41 -7.099 -11.924 0.930 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.804 -10.912 2.672 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.304 -11.599 3.263 1.00 0.00 H new ATOM 0 HG SER A 41 -4.167 -12.879 1.883 1.00 0.00 H new ATOM 146 N LYS A 42 -6.201 -8.724 1.195 1.00 0.00 N ATOM 147 CA LYS A 42 -6.801 -7.385 1.301 1.00 0.00 C ATOM 148 C LYS A 42 -7.665 -7.096 0.077 1.00 0.00 C ATOM 149 O LYS A 42 -8.747 -6.546 0.234 1.00 0.00 O ATOM 150 CB LYS A 42 -5.706 -6.314 1.454 1.00 0.00 C ATOM 151 CG LYS A 42 -5.172 -6.285 2.896 1.00 0.00 C ATOM 152 CD LYS A 42 -3.967 -5.340 2.997 1.00 0.00 C ATOM 153 CE LYS A 42 -3.448 -5.302 4.441 1.00 0.00 C ATOM 154 NZ LYS A 42 -2.061 -4.781 4.514 1.00 0.00 N ATOM 0 H LYS A 42 -5.190 -8.724 1.062 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.434 -7.356 2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.889 -6.521 0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.108 -5.336 1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.958 -5.957 3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.882 -7.290 3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.175 -5.674 2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.253 -4.338 2.678 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.104 -4.676 5.047 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.482 -6.305 4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.740 -4.787 5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.434 -5.383 3.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.036 -3.808 4.147 1.00 0.00 H new ATOM 168 N MET A 43 -7.235 -7.489 -1.122 1.00 0.00 N ATOM 169 CA MET A 43 -8.009 -7.262 -2.346 1.00 0.00 C ATOM 170 C MET A 43 -9.315 -8.064 -2.297 1.00 0.00 C ATOM 171 O MET A 43 -10.384 -7.501 -2.506 1.00 0.00 O ATOM 172 CB MET A 43 -7.167 -7.653 -3.563 1.00 0.00 C ATOM 173 CG MET A 43 -5.914 -6.787 -3.758 1.00 0.00 C ATOM 174 SD MET A 43 -6.149 -5.282 -4.732 1.00 0.00 S ATOM 175 CE MET A 43 -4.479 -5.141 -5.430 1.00 0.00 C ATOM 0 H MET A 43 -6.348 -7.970 -1.274 1.00 0.00 H new ATOM 0 HA MET A 43 -8.265 -6.206 -2.427 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.864 -8.695 -3.463 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.786 -7.585 -4.458 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.531 -6.507 -2.777 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.146 -7.393 -4.239 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.425 -4.260 -6.069 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.754 -5.048 -4.622 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.254 -6.030 -6.019 1.00 0.00 H new ATOM 185 N LEU A 44 -9.239 -9.354 -1.933 1.00 0.00 N ATOM 186 CA LEU A 44 -10.380 -10.230 -1.659 1.00 0.00 C ATOM 187 C LEU A 44 -11.355 -9.516 -0.724 1.00 0.00 C ATOM 188 O LEU A 44 -12.515 -9.286 -1.064 1.00 0.00 O ATOM 189 CB LEU A 44 -9.830 -11.529 -1.012 1.00 0.00 C ATOM 190 CG LEU A 44 -10.873 -12.453 -0.373 1.00 0.00 C ATOM 191 CD1 LEU A 44 -11.616 -13.216 -1.461 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.201 -13.440 0.577 1.00 0.00 C ATOM 0 H LEU A 44 -8.344 -9.830 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.918 -10.478 -2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.293 -12.092 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.103 -11.252 -0.249 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.578 -11.845 0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.357 -13.872 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.116 -12.510 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.908 -13.813 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.956 -14.088 1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.483 -14.046 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.684 -12.892 1.365 1.00 0.00 H new ATOM 204 N ARG A 45 -10.856 -9.130 0.446 1.00 0.00 N ATOM 205 CA ARG A 45 -11.592 -8.397 1.460 1.00 0.00 C ATOM 206 C ARG A 45 -12.248 -7.157 0.879 1.00 0.00 C ATOM 207 O ARG A 45 -13.418 -6.921 1.161 1.00 0.00 O ATOM 208 CB ARG A 45 -10.606 -8.125 2.600 1.00 0.00 C ATOM 209 CG ARG A 45 -10.998 -7.022 3.579 1.00 0.00 C ATOM 210 CD ARG A 45 -10.399 -5.647 3.240 1.00 0.00 C ATOM 211 NE ARG A 45 -10.293 -4.890 4.486 1.00 0.00 N ATOM 212 CZ ARG A 45 -10.177 -3.577 4.681 1.00 0.00 C ATOM 213 NH1 ARG A 45 -9.978 -2.731 3.668 1.00 0.00 N ATOM 214 NH2 ARG A 45 -10.269 -3.145 5.929 1.00 0.00 N ATOM 0 H ARG A 45 -9.894 -9.328 0.720 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.432 -8.969 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.468 -9.049 3.162 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.640 -7.869 2.164 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.085 -6.939 3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.680 -7.309 4.581 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.419 -5.760 2.777 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.031 -5.120 2.525 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.311 -5.453 5.336 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.911 -3.085 2.714 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.893 -1.731 3.848 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.422 -3.809 6.688 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.187 -2.149 6.131 1.00 0.00 H new ATOM 228 N ALA A 46 -11.543 -6.362 0.076 1.00 0.00 N ATOM 229 CA ALA A 46 -12.092 -5.115 -0.419 1.00 0.00 C ATOM 230 C ALA A 46 -13.266 -5.373 -1.362 1.00 0.00 C ATOM 231 O ALA A 46 -14.298 -4.715 -1.229 1.00 0.00 O ATOM 232 CB ALA A 46 -11.000 -4.291 -1.110 1.00 0.00 C ATOM 0 H ALA A 46 -10.595 -6.564 -0.241 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.468 -4.542 0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.426 -3.357 -1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.204 -4.072 -0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.592 -4.857 -1.947 1.00 0.00 H new ATOM 238 N VAL A 47 -13.162 -6.360 -2.257 1.00 0.00 N ATOM 239 CA VAL A 47 -14.274 -6.729 -3.130 1.00 0.00 C ATOM 240 C VAL A 47 -15.466 -7.140 -2.260 1.00 0.00 C ATOM 241 O VAL A 47 -16.588 -6.693 -2.483 1.00 0.00 O ATOM 242 CB VAL A 47 -13.843 -7.841 -4.105 1.00 0.00 C ATOM 243 CG1 VAL A 47 -15.009 -8.355 -4.956 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.763 -7.320 -5.063 1.00 0.00 C ATOM 0 H VAL A 47 -12.318 -6.916 -2.394 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.576 -5.880 -3.743 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.464 -8.657 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.653 -9.137 -5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.784 -8.760 -4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.421 -7.534 -5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.468 -8.116 -5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.158 -6.480 -5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.895 -6.993 -4.490 1.00 0.00 H new ATOM 254 N LEU A 48 -15.228 -7.954 -1.226 1.00 0.00 N ATOM 255 CA LEU A 48 -16.286 -8.421 -0.342 1.00 0.00 C ATOM 256 C LEU A 48 -16.928 -7.262 0.431 1.00 0.00 C ATOM 257 O LEU A 48 -18.133 -7.287 0.658 1.00 0.00 O ATOM 258 CB LEU A 48 -15.701 -9.448 0.639 1.00 0.00 C ATOM 259 CG LEU A 48 -15.230 -10.737 -0.039 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.266 -11.445 0.897 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.404 -11.666 -0.322 1.00 0.00 C ATOM 0 H LEU A 48 -14.300 -8.302 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.066 -8.882 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.861 -8.997 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.454 -9.694 1.388 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.750 -10.484 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.918 -12.367 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.413 -10.797 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.774 -11.680 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.042 -12.574 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.897 -11.925 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.114 -11.165 -0.980 1.00 0.00 H new ATOM 273 N GLN A 49 -16.142 -6.263 0.844 1.00 0.00 N ATOM 274 CA GLN A 49 -16.647 -5.097 1.561 1.00 0.00 C ATOM 275 C GLN A 49 -17.553 -4.255 0.657 1.00 0.00 C ATOM 276 O GLN A 49 -18.579 -3.773 1.137 1.00 0.00 O ATOM 277 CB GLN A 49 -15.489 -4.242 2.123 1.00 0.00 C ATOM 278 CG GLN A 49 -14.857 -4.807 3.411 1.00 0.00 C ATOM 279 CD GLN A 49 -15.781 -4.779 4.638 1.00 0.00 C ATOM 280 OE1 GLN A 49 -16.893 -4.252 4.605 1.00 0.00 O ATOM 281 NE2 GLN A 49 -15.346 -5.344 5.752 1.00 0.00 N ATOM 0 H GLN A 49 -15.134 -6.244 0.688 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.239 -5.454 2.404 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.715 -4.152 1.361 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.858 -3.236 2.323 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.548 -5.836 3.228 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.955 -4.239 3.638 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.424 -5.780 5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.932 -5.344 6.587 1.00 0.00 H new ATOM 290 N SER A 50 -17.223 -4.097 -0.626 1.00 0.00 N ATOM 291 CA SER A 50 -18.093 -3.428 -1.591 1.00 0.00 C ATOM 292 C SER A 50 -19.366 -4.239 -1.854 1.00 0.00 C ATOM 293 O SER A 50 -20.452 -3.671 -1.987 1.00 0.00 O ATOM 294 CB SER A 50 -17.327 -3.226 -2.905 1.00 0.00 C ATOM 295 OG SER A 50 -16.136 -2.477 -2.686 1.00 0.00 O ATOM 0 H SER A 50 -16.345 -4.430 -1.024 1.00 0.00 H new ATOM 0 HA SER A 50 -18.390 -2.464 -1.177 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.078 -4.195 -3.339 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.961 -2.708 -3.625 1.00 0.00 H new ATOM 0 HG SER A 50 -15.467 -3.046 -2.252 1.00 0.00 H new ATOM 301 N HIS A 51 -19.254 -5.569 -1.872 1.00 0.00 N ATOM 302 CA HIS A 51 -20.312 -6.465 -2.322 1.00 0.00 C ATOM 303 C HIS A 51 -21.030 -7.084 -1.121 1.00 0.00 C ATOM 304 O HIS A 51 -20.975 -8.298 -0.912 1.00 0.00 O ATOM 305 CB HIS A 51 -19.720 -7.509 -3.290 1.00 0.00 C ATOM 306 CG HIS A 51 -19.174 -6.950 -4.590 1.00 0.00 C ATOM 307 ND1 HIS A 51 -18.941 -5.603 -4.915 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.820 -7.717 -5.660 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.450 -5.611 -6.169 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.381 -6.863 -6.643 1.00 0.00 N ATOM 0 H HIS A 51 -18.411 -6.057 -1.569 1.00 0.00 H new ATOM 0 HA HIS A 51 -21.071 -5.911 -2.874 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.919 -8.042 -2.778 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.492 -8.242 -3.524 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.874 -8.794 -5.723 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.153 -4.730 -6.718 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -18.059 -7.135 -7.572 1.00 0.00 H new ATOM 318 N LYS A 52 -21.708 -6.264 -0.305 1.00 0.00 N ATOM 319 CA LYS A 52 -22.400 -6.723 0.913 1.00 0.00 C ATOM 320 C LYS A 52 -23.483 -7.777 0.652 1.00 0.00 C ATOM 321 O LYS A 52 -23.795 -8.543 1.563 1.00 0.00 O ATOM 322 CB LYS A 52 -23.016 -5.536 1.679 1.00 0.00 C ATOM 323 CG LYS A 52 -22.008 -4.571 2.313 1.00 0.00 C ATOM 324 CD LYS A 52 -20.986 -5.284 3.221 1.00 0.00 C ATOM 325 CE LYS A 52 -20.324 -4.350 4.254 1.00 0.00 C ATOM 326 NZ LYS A 52 -19.760 -3.107 3.660 1.00 0.00 N ATOM 0 H LYS A 52 -21.793 -5.261 -0.470 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.629 -7.201 1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.651 -4.974 0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.662 -5.928 2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.477 -4.038 1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.545 -3.823 2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.485 -6.098 3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.211 -5.733 2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -21.060 -4.079 5.011 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.528 -4.892 4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.032 -2.719 4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.335 -3.326 2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.519 -2.407 3.535 1.00 0.00 H new ATOM 340 N ASN A 53 -24.032 -7.853 -0.565 1.00 0.00 N ATOM 341 CA ASN A 53 -24.972 -8.915 -0.954 1.00 0.00 C ATOM 342 C ASN A 53 -24.317 -10.309 -0.951 1.00 0.00 C ATOM 343 O ASN A 53 -25.024 -11.319 -0.979 1.00 0.00 O ATOM 344 CB ASN A 53 -25.561 -8.590 -2.336 1.00 0.00 C ATOM 345 CG ASN A 53 -26.627 -9.595 -2.777 1.00 0.00 C ATOM 346 OD1 ASN A 53 -26.403 -10.415 -3.662 1.00 0.00 O ATOM 347 ND2 ASN A 53 -27.809 -9.548 -2.175 1.00 0.00 N ATOM 0 H ASN A 53 -23.839 -7.182 -1.309 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.770 -8.948 -0.213 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -25.997 -7.591 -2.315 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -24.758 -8.572 -3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -28.546 -10.199 -2.446 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -27.981 -8.861 -1.441 1.00 0.00 H new ATOM 354 N GLY A 54 -22.985 -10.379 -0.886 1.00 0.00 N ATOM 355 CA GLY A 54 -22.212 -11.600 -0.979 1.00 0.00 C ATOM 356 C GLY A 54 -21.979 -11.985 -2.431 1.00 0.00 C ATOM 357 O GLY A 54 -22.605 -11.450 -3.349 1.00 0.00 O ATOM 0 H GLY A 54 -22.403 -9.551 -0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.254 -11.468 -0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.735 -12.406 -0.464 1.00 0.00 H new ATOM 361 N ILE A 55 -21.050 -12.915 -2.643 1.00 0.00 N ATOM 362 CA ILE A 55 -20.637 -13.393 -3.960 1.00 0.00 C ATOM 363 C ILE A 55 -20.350 -14.878 -3.825 1.00 0.00 C ATOM 364 O ILE A 55 -19.581 -15.276 -2.961 1.00 0.00 O ATOM 365 CB ILE A 55 -19.430 -12.574 -4.506 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.405 -12.097 -3.442 1.00 0.00 C ATOM 367 CG2 ILE A 55 -19.918 -11.350 -5.293 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.325 -11.127 -3.954 1.00 0.00 C ATOM 0 H ILE A 55 -20.549 -13.370 -1.880 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.424 -13.249 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.901 -13.281 -5.145 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.948 -11.613 -2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.912 -12.972 -3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -19.060 -10.791 -5.666 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.530 -11.678 -6.133 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.511 -10.710 -4.640 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.661 -10.856 -3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.748 -11.609 -4.743 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.800 -10.229 -4.348 1.00 0.00 H new ATOM 380 N VAL A 56 -21.016 -15.701 -4.633 1.00 0.00 N ATOM 381 CA VAL A 56 -20.820 -17.153 -4.677 1.00 0.00 C ATOM 382 C VAL A 56 -19.375 -17.477 -5.072 1.00 0.00 C ATOM 383 O VAL A 56 -18.814 -16.688 -5.822 1.00 0.00 O ATOM 384 CB VAL A 56 -21.858 -17.769 -5.640 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.271 -17.700 -5.052 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.862 -17.112 -7.035 1.00 0.00 C ATOM 0 H VAL A 56 -21.723 -15.372 -5.291 1.00 0.00 H new ATOM 0 HA VAL A 56 -20.978 -17.593 -3.692 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.556 -18.809 -5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -23.979 -18.141 -5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.301 -18.250 -4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.540 -16.659 -4.872 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.614 -17.592 -7.661 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -22.095 -16.052 -6.937 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.880 -17.227 -7.494 1.00 0.00 H new ATOM 396 N LEU A 57 -18.758 -18.599 -4.662 1.00 0.00 N ATOM 397 CA LEU A 57 -17.314 -18.804 -4.908 1.00 0.00 C ATOM 398 C LEU A 57 -16.827 -18.577 -6.360 1.00 0.00 C ATOM 399 O LEU A 57 -15.733 -18.036 -6.507 1.00 0.00 O ATOM 400 CB LEU A 57 -16.708 -20.069 -4.244 1.00 0.00 C ATOM 401 CG LEU A 57 -16.743 -21.429 -4.984 1.00 0.00 C ATOM 402 CD1 LEU A 57 -15.809 -21.516 -6.207 1.00 0.00 C ATOM 403 CD2 LEU A 57 -16.300 -22.528 -4.005 1.00 0.00 C ATOM 0 H LEU A 57 -19.221 -19.363 -4.170 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.884 -17.964 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.664 -19.849 -4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.215 -20.207 -3.289 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.766 -21.548 -5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -15.898 -22.502 -6.663 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.089 -20.753 -6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.779 -21.355 -5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -16.319 -23.494 -4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.288 -22.320 -3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -16.979 -22.551 -3.152 1.00 0.00 H new ATOM 415 N PRO A 58 -17.562 -18.906 -7.448 1.00 0.00 N ATOM 416 CA PRO A 58 -17.070 -18.585 -8.791 1.00 0.00 C ATOM 417 C PRO A 58 -17.171 -17.081 -9.081 1.00 0.00 C ATOM 418 O PRO A 58 -16.256 -16.487 -9.650 1.00 0.00 O ATOM 419 CB PRO A 58 -17.895 -19.448 -9.749 1.00 0.00 C ATOM 420 CG PRO A 58 -19.201 -19.695 -9.000 1.00 0.00 C ATOM 421 CD PRO A 58 -18.771 -19.723 -7.534 1.00 0.00 C ATOM 0 HA PRO A 58 -16.009 -18.807 -8.905 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.069 -18.937 -10.696 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.386 -20.383 -9.981 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.928 -18.906 -9.190 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.665 -20.635 -9.300 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.556 -19.326 -6.890 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.575 -20.744 -7.205 1.00 0.00 H new ATOM 429 N ARG A 59 -18.246 -16.431 -8.622 1.00 0.00 N ATOM 430 CA ARG A 59 -18.406 -14.975 -8.698 1.00 0.00 C ATOM 431 C ARG A 59 -17.358 -14.279 -7.828 1.00 0.00 C ATOM 432 O ARG A 59 -16.874 -13.217 -8.206 1.00 0.00 O ATOM 433 CB ARG A 59 -19.851 -14.611 -8.309 1.00 0.00 C ATOM 434 CG ARG A 59 -20.207 -13.171 -8.684 1.00 0.00 C ATOM 435 CD ARG A 59 -21.683 -12.845 -8.430 1.00 0.00 C ATOM 436 NE ARG A 59 -22.004 -11.479 -8.885 1.00 0.00 N ATOM 437 CZ ARG A 59 -22.453 -11.110 -10.095 1.00 0.00 C ATOM 438 NH1 ARG A 59 -22.650 -12.014 -11.054 1.00 0.00 N ATOM 439 NH2 ARG A 59 -22.707 -9.829 -10.344 1.00 0.00 N ATOM 0 H ARG A 59 -19.036 -16.905 -8.184 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.238 -14.624 -9.716 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.541 -15.294 -8.804 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.982 -14.748 -7.236 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.583 -12.485 -8.111 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.978 -13.006 -9.737 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -22.314 -13.565 -8.952 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.903 -12.940 -7.367 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.870 -10.731 -8.204 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -22.459 -13.000 -10.873 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -22.992 -11.720 -11.969 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.561 -9.129 -9.616 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -23.048 -9.546 -11.263 1.00 0.00 H new ATOM 453 N LEU A 60 -16.973 -14.886 -6.701 1.00 0.00 N ATOM 454 CA LEU A 60 -15.907 -14.400 -5.842 1.00 0.00 C ATOM 455 C LEU A 60 -14.640 -14.290 -6.682 1.00 0.00 C ATOM 456 O LEU A 60 -14.079 -13.203 -6.744 1.00 0.00 O ATOM 457 CB LEU A 60 -15.724 -15.313 -4.604 1.00 0.00 C ATOM 458 CG LEU A 60 -14.649 -14.899 -3.583 1.00 0.00 C ATOM 459 CD1 LEU A 60 -13.227 -15.232 -4.035 1.00 0.00 C ATOM 460 CD2 LEU A 60 -14.755 -13.427 -3.198 1.00 0.00 C ATOM 0 H LEU A 60 -17.406 -15.744 -6.361 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.156 -13.416 -5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.680 -15.374 -4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.488 -16.317 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.853 -15.499 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.518 -14.914 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.137 -16.307 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.011 -14.712 -4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.976 -13.183 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.632 -12.809 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.733 -13.236 -2.755 1.00 0.00 H new ATOM 472 N GLN A 61 -14.240 -15.371 -7.367 1.00 0.00 N ATOM 473 CA GLN A 61 -13.084 -15.369 -8.259 1.00 0.00 C ATOM 474 C GLN A 61 -13.210 -14.302 -9.346 1.00 0.00 C ATOM 475 O GLN A 61 -12.247 -13.581 -9.586 1.00 0.00 O ATOM 476 CB GLN A 61 -12.896 -16.766 -8.884 1.00 0.00 C ATOM 477 CG GLN A 61 -11.974 -17.675 -8.057 1.00 0.00 C ATOM 478 CD GLN A 61 -10.504 -17.524 -8.468 1.00 0.00 C ATOM 479 OE1 GLN A 61 -9.942 -16.436 -8.438 1.00 0.00 O ATOM 480 NE2 GLN A 61 -9.833 -18.602 -8.864 1.00 0.00 N ATOM 0 H GLN A 61 -14.715 -16.272 -7.314 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.203 -15.124 -7.666 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.870 -17.245 -8.989 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.484 -16.657 -9.887 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.082 -17.435 -6.999 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.281 -18.713 -8.182 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.297 -19.510 -8.891 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.855 -18.521 -9.141 1.00 0.00 H new ATOM 489 N GLY A 62 -14.371 -14.166 -9.990 1.00 0.00 N ATOM 490 CA GLY A 62 -14.561 -13.192 -11.062 1.00 0.00 C ATOM 491 C GLY A 62 -14.359 -11.758 -10.574 1.00 0.00 C ATOM 492 O GLY A 62 -13.574 -11.002 -11.152 1.00 0.00 O ATOM 0 H GLY A 62 -15.199 -14.724 -9.784 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.861 -13.402 -11.871 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.565 -13.297 -11.474 1.00 0.00 H new ATOM 496 N GLU A 63 -15.029 -11.375 -9.484 1.00 0.00 N ATOM 497 CA GLU A 63 -14.965 -10.008 -8.975 1.00 0.00 C ATOM 498 C GLU A 63 -13.590 -9.731 -8.348 1.00 0.00 C ATOM 499 O GLU A 63 -13.014 -8.663 -8.568 1.00 0.00 O ATOM 500 CB GLU A 63 -16.113 -9.778 -7.979 1.00 0.00 C ATOM 501 CG GLU A 63 -17.506 -9.865 -8.622 1.00 0.00 C ATOM 502 CD GLU A 63 -17.723 -8.761 -9.672 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.727 -7.565 -9.293 1.00 0.00 O ATOM 504 OE2 GLU A 63 -17.892 -9.080 -10.874 1.00 0.00 O ATOM 0 H GLU A 63 -15.624 -11.997 -8.937 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.086 -9.303 -9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.043 -10.515 -7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.994 -8.797 -7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.629 -10.841 -9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.269 -9.785 -7.848 1.00 0.00 H new ATOM 511 N TYR A 64 -13.019 -10.718 -7.643 1.00 0.00 N ATOM 512 CA TYR A 64 -11.640 -10.687 -7.167 1.00 0.00 C ATOM 513 C TYR A 64 -10.706 -10.369 -8.328 1.00 0.00 C ATOM 514 O TYR A 64 -9.981 -9.379 -8.271 1.00 0.00 O ATOM 515 CB TYR A 64 -11.283 -12.031 -6.508 1.00 0.00 C ATOM 516 CG TYR A 64 -9.805 -12.242 -6.260 1.00 0.00 C ATOM 517 CD1 TYR A 64 -9.006 -12.805 -7.275 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.224 -11.883 -5.030 1.00 0.00 C ATOM 519 CE1 TYR A 64 -7.632 -12.981 -7.067 1.00 0.00 C ATOM 520 CE2 TYR A 64 -7.850 -12.076 -4.816 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.048 -12.617 -5.844 1.00 0.00 C ATOM 522 OH TYR A 64 -5.714 -12.788 -5.673 1.00 0.00 O ATOM 0 H TYR A 64 -13.515 -11.571 -7.386 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.526 -9.906 -6.415 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.811 -12.105 -5.557 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.650 -12.839 -7.141 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.453 -13.101 -8.213 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.836 -11.458 -4.249 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.019 -13.399 -7.852 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.408 -11.811 -3.867 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.259 -12.698 -6.537 1.00 0.00 H new ATOM 532 N ARG A 65 -10.760 -11.155 -9.408 1.00 0.00 N ATOM 533 CA ARG A 65 -9.842 -11.032 -10.535 1.00 0.00 C ATOM 534 C ARG A 65 -10.076 -9.735 -11.289 1.00 0.00 C ATOM 535 O ARG A 65 -9.148 -9.236 -11.925 1.00 0.00 O ATOM 536 CB ARG A 65 -9.966 -12.282 -11.427 1.00 0.00 C ATOM 537 CG ARG A 65 -8.886 -12.400 -12.526 1.00 0.00 C ATOM 538 CD ARG A 65 -9.412 -12.221 -13.955 1.00 0.00 C ATOM 539 NE ARG A 65 -9.514 -10.803 -14.307 1.00 0.00 N ATOM 540 CZ ARG A 65 -9.939 -10.289 -15.470 1.00 0.00 C ATOM 541 NH1 ARG A 65 -10.377 -11.086 -16.442 1.00 0.00 N ATOM 542 NH2 ARG A 65 -9.919 -8.971 -15.649 1.00 0.00 N ATOM 0 H ARG A 65 -11.449 -11.899 -9.521 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.814 -10.983 -10.175 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.920 -13.169 -10.795 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.948 -12.278 -11.900 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.114 -11.654 -12.340 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.410 -13.378 -12.447 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.747 -12.726 -14.656 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -10.390 -12.693 -14.047 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.231 -10.135 -13.590 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.391 -12.097 -16.305 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.698 -10.686 -17.324 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.582 -8.360 -14.905 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.240 -8.571 -16.531 1.00 0.00 H new ATOM 556 N SER A 66 -11.282 -9.172 -11.238 1.00 0.00 N ATOM 557 CA SER A 66 -11.540 -7.851 -11.789 1.00 0.00 C ATOM 558 C SER A 66 -10.755 -6.782 -11.015 1.00 0.00 C ATOM 559 O SER A 66 -10.239 -5.852 -11.637 1.00 0.00 O ATOM 560 CB SER A 66 -13.049 -7.568 -11.791 1.00 0.00 C ATOM 561 OG SER A 66 -13.745 -8.547 -12.555 1.00 0.00 O ATOM 0 H SER A 66 -12.098 -9.617 -10.817 1.00 0.00 H new ATOM 0 HA SER A 66 -11.195 -7.818 -12.822 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.424 -7.564 -10.768 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.237 -6.577 -12.203 1.00 0.00 H new ATOM 0 HG SER A 66 -13.703 -9.411 -12.095 1.00 0.00 H new ATOM 567 N LEU A 67 -10.625 -6.907 -9.683 1.00 0.00 N ATOM 568 CA LEU A 67 -9.829 -5.973 -8.889 1.00 0.00 C ATOM 569 C LEU A 67 -8.325 -6.251 -9.006 1.00 0.00 C ATOM 570 O LEU A 67 -7.560 -5.332 -9.301 1.00 0.00 O ATOM 571 CB LEU A 67 -10.268 -5.990 -7.414 1.00 0.00 C ATOM 572 CG LEU A 67 -9.490 -4.979 -6.540 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.686 -3.522 -6.980 1.00 0.00 C ATOM 574 CD2 LEU A 67 -9.931 -5.104 -5.078 1.00 0.00 C ATOM 0 H LEU A 67 -11.064 -7.649 -9.139 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.009 -4.978 -9.295 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.334 -5.768 -7.355 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.129 -6.993 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.435 -5.225 -6.658 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.114 -2.864 -6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.341 -3.402 -8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.743 -3.263 -6.920 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.378 -4.389 -4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.999 -4.898 -5.001 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.730 -6.115 -4.723 1.00 0.00 H new ATOM 586 N THR A 68 -7.875 -7.484 -8.751 1.00 0.00 N ATOM 587 CA THR A 68 -6.450 -7.798 -8.626 1.00 0.00 C ATOM 588 C THR A 68 -5.748 -7.879 -9.983 1.00 0.00 C ATOM 589 O THR A 68 -4.562 -7.542 -10.081 1.00 0.00 O ATOM 590 CB THR A 68 -6.296 -9.178 -7.974 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.156 -10.085 -8.630 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.666 -9.120 -6.497 1.00 0.00 C ATOM 0 H THR A 68 -8.488 -8.290 -8.626 1.00 0.00 H new ATOM 0 HA THR A 68 -6.002 -7.000 -8.034 1.00 0.00 H new ATOM 0 HB THR A 68 -5.258 -9.500 -8.061 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.234 -10.905 -8.098 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.550 -10.109 -6.054 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.012 -8.414 -5.985 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.701 -8.795 -6.394 1.00 0.00 H new ATOM 600 N GLY A 69 -6.460 -8.333 -11.022 1.00 0.00 N ATOM 601 CA GLY A 69 -5.850 -8.690 -12.292 1.00 0.00 C ATOM 602 C GLY A 69 -5.131 -10.047 -12.165 1.00 0.00 C ATOM 603 O GLY A 69 -4.224 -10.319 -12.957 1.00 0.00 O ATOM 0 H GLY A 69 -7.472 -8.460 -10.998 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.612 -8.744 -13.069 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.141 -7.920 -12.594 1.00 0.00 H new ATOM 607 N ASP A 70 -5.504 -10.891 -11.189 1.00 0.00 N ATOM 608 CA ASP A 70 -4.945 -12.234 -10.983 1.00 0.00 C ATOM 609 C ASP A 70 -6.063 -13.176 -10.547 1.00 0.00 C ATOM 610 O ASP A 70 -7.110 -12.709 -10.107 1.00 0.00 O ATOM 611 CB ASP A 70 -3.856 -12.216 -9.891 1.00 0.00 C ATOM 612 CG ASP A 70 -2.979 -13.488 -9.895 1.00 0.00 C ATOM 613 OD1 ASP A 70 -3.005 -14.281 -10.871 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.241 -13.692 -8.901 1.00 0.00 O ATOM 0 H ASP A 70 -6.221 -10.650 -10.505 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.499 -12.572 -11.918 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.220 -11.342 -10.033 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.329 -12.110 -8.915 1.00 0.00 H new ATOM 619 N TRP A 71 -5.858 -14.485 -10.629 1.00 0.00 N ATOM 620 CA TRP A 71 -6.764 -15.471 -10.048 1.00 0.00 C ATOM 621 C TRP A 71 -6.251 -15.846 -8.656 1.00 0.00 C ATOM 622 O TRP A 71 -5.048 -15.752 -8.381 1.00 0.00 O ATOM 623 CB TRP A 71 -6.851 -16.702 -10.954 1.00 0.00 C ATOM 624 CG TRP A 71 -7.308 -16.403 -12.349 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.532 -16.443 -13.454 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.637 -16.006 -12.812 1.00 0.00 C ATOM 627 NE1 TRP A 71 -7.278 -16.101 -14.562 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.582 -15.801 -14.226 1.00 0.00 C ATOM 629 CE3 TRP A 71 -9.863 -15.722 -12.171 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -9.698 -15.368 -14.964 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -10.977 -15.272 -12.904 1.00 0.00 C ATOM 632 CH2 TRP A 71 -10.911 -15.131 -14.299 1.00 0.00 C ATOM 0 H TRP A 71 -5.054 -14.896 -11.103 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.767 -15.054 -9.959 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.871 -17.177 -10.998 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.535 -17.422 -10.506 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.484 -16.704 -13.468 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.911 -16.073 -15.513 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.947 -15.852 -11.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.622 -15.219 -16.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.894 -15.032 -12.387 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.789 -14.842 -14.858 1.00 0.00 H new ATOM 643 N ILE A 72 -7.158 -16.262 -7.768 1.00 0.00 N ATOM 644 CA ILE A 72 -6.815 -16.587 -6.387 1.00 0.00 C ATOM 645 C ILE A 72 -5.730 -17.672 -6.360 1.00 0.00 C ATOM 646 O ILE A 72 -5.877 -18.694 -7.036 1.00 0.00 O ATOM 647 CB ILE A 72 -8.083 -16.978 -5.594 1.00 0.00 C ATOM 648 CG1 ILE A 72 -8.773 -15.667 -5.176 1.00 0.00 C ATOM 649 CG2 ILE A 72 -7.807 -17.886 -4.383 1.00 0.00 C ATOM 650 CD1 ILE A 72 -10.082 -15.832 -4.422 1.00 0.00 C ATOM 0 H ILE A 72 -8.147 -16.382 -7.988 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.400 -15.709 -5.892 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.729 -17.580 -6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.084 -15.096 -4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.961 -15.074 -6.071 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.746 -18.116 -3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.341 -18.811 -4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.139 -17.375 -3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.486 -14.850 -4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.796 -16.371 -5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.905 -16.393 -3.505 1.00 0.00 H new ATOM 662 N PRO A 73 -4.679 -17.499 -5.539 1.00 0.00 N ATOM 663 CA PRO A 73 -3.617 -18.474 -5.390 1.00 0.00 C ATOM 664 C PRO A 73 -4.024 -19.611 -4.430 1.00 0.00 C ATOM 665 O PRO A 73 -3.248 -19.934 -3.544 1.00 0.00 O ATOM 666 CB PRO A 73 -2.407 -17.643 -4.925 1.00 0.00 C ATOM 667 CG PRO A 73 -3.062 -16.594 -4.044 1.00 0.00 C ATOM 668 CD PRO A 73 -4.355 -16.290 -4.792 1.00 0.00 C ATOM 0 HA PRO A 73 -3.381 -19.007 -6.311 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.686 -18.246 -4.373 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.873 -17.196 -5.763 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.254 -16.971 -3.040 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.437 -15.707 -3.937 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.156 -16.033 -4.099 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.228 -15.439 -5.462 1.00 0.00 H new ATOM 676 N PHE A 74 -5.226 -20.200 -4.515 1.00 0.00 N ATOM 677 CA PHE A 74 -5.694 -21.184 -3.522 1.00 0.00 C ATOM 678 C PHE A 74 -4.761 -22.392 -3.478 1.00 0.00 C ATOM 679 O PHE A 74 -4.091 -22.622 -2.472 1.00 0.00 O ATOM 680 CB PHE A 74 -7.173 -21.574 -3.737 1.00 0.00 C ATOM 681 CG PHE A 74 -7.511 -22.309 -5.021 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.675 -21.613 -6.234 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.662 -23.710 -5.001 1.00 0.00 C ATOM 684 CE1 PHE A 74 -7.984 -22.311 -7.413 1.00 0.00 C ATOM 685 CE2 PHE A 74 -7.996 -24.406 -6.173 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.153 -23.709 -7.382 1.00 0.00 C ATOM 0 H PHE A 74 -5.895 -20.013 -5.262 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.658 -20.713 -2.540 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.485 -22.196 -2.898 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.772 -20.664 -3.699 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.563 -20.539 -6.258 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.520 -24.252 -4.078 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.092 -21.775 -8.344 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.132 -25.477 -6.145 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.403 -24.244 -8.286 1.00 0.00 H new ATOM 696 N LYS A 75 -4.645 -23.121 -4.586 1.00 0.00 N ATOM 697 CA LYS A 75 -3.843 -24.333 -4.666 1.00 0.00 C ATOM 698 C LYS A 75 -2.349 -24.008 -4.631 1.00 0.00 C ATOM 699 O LYS A 75 -1.533 -24.837 -4.231 1.00 0.00 O ATOM 700 CB LYS A 75 -4.273 -25.064 -5.949 1.00 0.00 C ATOM 701 CG LYS A 75 -3.900 -26.555 -6.022 1.00 0.00 C ATOM 702 CD LYS A 75 -4.548 -27.404 -4.918 1.00 0.00 C ATOM 703 CE LYS A 75 -4.266 -28.910 -5.074 1.00 0.00 C ATOM 704 NZ LYS A 75 -4.971 -29.532 -6.232 1.00 0.00 N ATOM 0 H LYS A 75 -5.111 -22.882 -5.461 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.009 -24.981 -3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.354 -24.973 -6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.827 -24.554 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.198 -26.949 -6.994 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.816 -26.654 -5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.181 -27.070 -3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.625 -27.239 -4.925 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.193 -29.060 -5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.563 -29.424 -4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.737 -30.544 -6.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.998 -29.419 -6.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.670 -29.067 -7.112 1.00 0.00 H new ATOM 718 N GLN A 76 -2.012 -22.780 -5.019 1.00 0.00 N ATOM 719 CA GLN A 76 -0.672 -22.237 -5.088 1.00 0.00 C ATOM 720 C GLN A 76 -0.169 -21.936 -3.659 1.00 0.00 C ATOM 721 O GLN A 76 0.978 -22.242 -3.334 1.00 0.00 O ATOM 722 CB GLN A 76 -0.697 -20.993 -6.008 1.00 0.00 C ATOM 723 CG GLN A 76 -1.272 -21.206 -7.436 1.00 0.00 C ATOM 724 CD GLN A 76 -2.790 -20.972 -7.578 1.00 0.00 C ATOM 725 OE1 GLN A 76 -3.592 -21.463 -6.794 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.260 -20.215 -8.556 1.00 0.00 N ATOM 0 H GLN A 76 -2.716 -22.102 -5.310 1.00 0.00 H new ATOM 0 HA GLN A 76 0.031 -22.949 -5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.281 -20.215 -5.516 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.321 -20.616 -6.102 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.752 -20.537 -8.122 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.047 -22.225 -7.752 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.618 -19.791 -9.226 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.264 -20.055 -8.640 1.00 0.00 H new ATOM 735 N LEU A 77 -1.038 -21.404 -2.784 1.00 0.00 N ATOM 736 CA LEU A 77 -0.805 -21.249 -1.343 1.00 0.00 C ATOM 737 C LEU A 77 -0.900 -22.609 -0.632 1.00 0.00 C ATOM 738 O LEU A 77 -0.226 -22.809 0.380 1.00 0.00 O ATOM 739 CB LEU A 77 -1.808 -20.259 -0.718 1.00 0.00 C ATOM 740 CG LEU A 77 -1.594 -18.774 -1.082 1.00 0.00 C ATOM 741 CD1 LEU A 77 -2.786 -17.919 -0.608 1.00 0.00 C ATOM 742 CD2 LEU A 77 -0.312 -18.193 -0.474 1.00 0.00 C ATOM 0 H LEU A 77 -1.953 -21.059 -3.073 1.00 0.00 H new ATOM 0 HA LEU A 77 0.200 -20.848 -1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.814 -20.548 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.762 -20.359 0.366 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.507 -18.741 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.615 -16.876 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.699 -18.271 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.888 -18.005 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.214 -17.147 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.359 -18.266 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.550 -18.753 -0.838 1.00 0.00 H new ATOM 754 N GLY A 78 -1.688 -23.547 -1.177 1.00 0.00 N ATOM 755 CA GLY A 78 -1.765 -24.934 -0.726 1.00 0.00 C ATOM 756 C GLY A 78 -3.143 -25.344 -0.190 1.00 0.00 C ATOM 757 O GLY A 78 -3.278 -26.447 0.350 1.00 0.00 O ATOM 0 H GLY A 78 -2.305 -23.351 -1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.500 -25.590 -1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.022 -25.092 0.055 1.00 0.00 H new ATOM 761 N TYR A 79 -4.164 -24.496 -0.334 1.00 0.00 N ATOM 762 CA TYR A 79 -5.544 -24.823 0.006 1.00 0.00 C ATOM 763 C TYR A 79 -6.118 -25.647 -1.148 1.00 0.00 C ATOM 764 O TYR A 79 -5.890 -25.278 -2.299 1.00 0.00 O ATOM 765 CB TYR A 79 -6.353 -23.533 0.176 1.00 0.00 C ATOM 766 CG TYR A 79 -5.711 -22.601 1.173 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.850 -22.844 2.549 1.00 0.00 C ATOM 768 CD2 TYR A 79 -4.962 -21.501 0.726 1.00 0.00 C ATOM 769 CE1 TYR A 79 -5.216 -22.004 3.475 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.329 -20.652 1.646 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.450 -20.901 3.035 1.00 0.00 C ATOM 772 OH TYR A 79 -3.840 -20.094 3.953 1.00 0.00 O ATOM 0 H TYR A 79 -4.050 -23.549 -0.696 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.590 -25.385 0.939 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.443 -23.030 -0.787 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.363 -23.777 0.504 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.445 -23.677 2.893 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.873 -21.307 -0.333 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.314 -22.201 4.532 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.750 -19.810 1.296 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.351 -19.382 3.489 1.00 0.00 H new ATOM 782 N PRO A 80 -6.878 -26.723 -0.901 1.00 0.00 N ATOM 783 CA PRO A 80 -7.293 -27.595 -1.985 1.00 0.00 C ATOM 784 C PRO A 80 -8.308 -26.942 -2.930 1.00 0.00 C ATOM 785 O PRO A 80 -8.355 -27.311 -4.104 1.00 0.00 O ATOM 786 CB PRO A 80 -7.866 -28.845 -1.304 1.00 0.00 C ATOM 787 CG PRO A 80 -8.332 -28.325 0.058 1.00 0.00 C ATOM 788 CD PRO A 80 -7.250 -27.291 0.384 1.00 0.00 C ATOM 0 HA PRO A 80 -6.449 -27.834 -2.632 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.691 -29.271 -1.875 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.113 -29.626 -1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.324 -27.877 0.007 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.378 -29.118 0.805 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.627 -26.524 1.061 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.394 -27.755 0.874 1.00 0.00 H new ATOM 796 N THR A 81 -9.111 -25.993 -2.442 1.00 0.00 N ATOM 797 CA THR A 81 -10.239 -25.433 -3.177 1.00 0.00 C ATOM 798 C THR A 81 -10.383 -23.947 -2.843 1.00 0.00 C ATOM 799 O THR A 81 -9.797 -23.459 -1.871 1.00 0.00 O ATOM 800 CB THR A 81 -11.498 -26.234 -2.776 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.563 -26.264 -1.360 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.470 -27.675 -3.299 1.00 0.00 C ATOM 0 H THR A 81 -8.991 -25.589 -1.513 1.00 0.00 H new ATOM 0 HA THR A 81 -10.091 -25.509 -4.254 1.00 0.00 H new ATOM 0 HB THR A 81 -12.367 -25.745 -3.216 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.258 -26.894 -1.078 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.378 -28.192 -2.989 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.412 -27.666 -4.387 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.601 -28.192 -2.893 1.00 0.00 H new ATOM 810 N LEU A 82 -11.208 -23.233 -3.619 1.00 0.00 N ATOM 811 CA LEU A 82 -11.566 -21.848 -3.313 1.00 0.00 C ATOM 812 C LEU A 82 -12.271 -21.792 -1.974 1.00 0.00 C ATOM 813 O LEU A 82 -11.993 -20.886 -1.195 1.00 0.00 O ATOM 814 CB LEU A 82 -12.501 -21.234 -4.380 1.00 0.00 C ATOM 815 CG LEU A 82 -11.844 -20.725 -5.677 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.693 -19.755 -5.383 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.351 -21.870 -6.564 1.00 0.00 C ATOM 0 H LEU A 82 -11.641 -23.597 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.640 -21.273 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.246 -21.983 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.037 -20.402 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.621 -20.189 -6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.254 -19.417 -6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.073 -18.896 -4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.933 -20.262 -4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.896 -21.461 -7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.613 -22.460 -6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.193 -22.506 -6.839 1.00 0.00 H new ATOM 829 N GLU A 83 -13.155 -22.753 -1.686 1.00 0.00 N ATOM 830 CA GLU A 83 -13.837 -22.761 -0.401 1.00 0.00 C ATOM 831 C GLU A 83 -12.802 -22.892 0.705 1.00 0.00 C ATOM 832 O GLU A 83 -12.838 -22.085 1.618 1.00 0.00 O ATOM 833 CB GLU A 83 -14.984 -23.790 -0.331 1.00 0.00 C ATOM 834 CG GLU A 83 -14.555 -25.262 -0.284 1.00 0.00 C ATOM 835 CD GLU A 83 -15.760 -26.200 -0.112 1.00 0.00 C ATOM 836 OE1 GLU A 83 -16.399 -26.579 -1.124 1.00 0.00 O ATOM 837 OE2 GLU A 83 -16.068 -26.561 1.051 1.00 0.00 O ATOM 0 H GLU A 83 -13.407 -23.517 -2.314 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.353 -21.811 -0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.585 -23.577 0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.630 -23.646 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.024 -25.516 -1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.857 -25.412 0.540 1.00 0.00 H new ATOM 844 N ALA A 84 -11.830 -23.807 0.608 1.00 0.00 N ATOM 845 CA ALA A 84 -10.840 -24.013 1.666 1.00 0.00 C ATOM 846 C ALA A 84 -9.997 -22.758 1.899 1.00 0.00 C ATOM 847 O ALA A 84 -9.764 -22.381 3.050 1.00 0.00 O ATOM 848 CB ALA A 84 -9.965 -25.216 1.320 1.00 0.00 C ATOM 0 H ALA A 84 -11.710 -24.419 -0.199 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.364 -24.216 2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.228 -25.369 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.589 -26.105 1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.453 -25.034 0.375 1.00 0.00 H new ATOM 854 N TYR A 85 -9.600 -22.071 0.823 1.00 0.00 N ATOM 855 CA TYR A 85 -8.953 -20.769 0.930 1.00 0.00 C ATOM 856 C TYR A 85 -9.848 -19.788 1.699 1.00 0.00 C ATOM 857 O TYR A 85 -9.395 -19.184 2.671 1.00 0.00 O ATOM 858 CB TYR A 85 -8.601 -20.270 -0.478 1.00 0.00 C ATOM 859 CG TYR A 85 -8.171 -18.822 -0.495 1.00 0.00 C ATOM 860 CD1 TYR A 85 -6.893 -18.464 -0.031 1.00 0.00 C ATOM 861 CD2 TYR A 85 -9.055 -17.833 -0.960 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.493 -17.119 -0.002 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.660 -16.485 -0.942 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.381 -16.119 -0.455 1.00 0.00 C ATOM 865 OH TYR A 85 -7.016 -14.807 -0.425 1.00 0.00 O ATOM 0 H TYR A 85 -9.718 -22.401 -0.135 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.027 -20.852 1.499 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.801 -20.887 -0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.466 -20.395 -1.130 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.212 -19.232 0.306 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.032 -18.108 -1.329 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.513 -16.851 0.364 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.336 -15.723 -1.302 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.464 -14.326 -1.152 1.00 0.00 H new ATOM 875 N LEU A 86 -11.134 -19.674 1.336 1.00 0.00 N ATOM 876 CA LEU A 86 -12.082 -18.786 2.015 1.00 0.00 C ATOM 877 C LEU A 86 -12.337 -19.188 3.483 1.00 0.00 C ATOM 878 O LEU A 86 -12.466 -18.306 4.333 1.00 0.00 O ATOM 879 CB LEU A 86 -13.394 -18.737 1.210 1.00 0.00 C ATOM 880 CG LEU A 86 -13.254 -18.055 -0.168 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.352 -18.546 -1.112 1.00 0.00 C ATOM 882 CD2 LEU A 86 -13.332 -16.530 -0.036 1.00 0.00 C ATOM 0 H LEU A 86 -11.544 -20.197 0.562 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.640 -17.790 2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.759 -19.754 1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -14.147 -18.207 1.793 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.279 -18.318 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.244 -18.059 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.268 -19.625 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.328 -18.305 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -13.231 -16.074 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.293 -16.251 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.528 -16.179 0.611 1.00 0.00 H new ATOM 894 N ARG A 87 -12.372 -20.489 3.809 1.00 0.00 N ATOM 895 CA ARG A 87 -12.427 -20.969 5.210 1.00 0.00 C ATOM 896 C ARG A 87 -11.222 -20.439 5.994 1.00 0.00 C ATOM 897 O ARG A 87 -11.352 -20.144 7.179 1.00 0.00 O ATOM 898 CB ARG A 87 -12.409 -22.516 5.347 1.00 0.00 C ATOM 899 CG ARG A 87 -13.734 -23.293 5.237 1.00 0.00 C ATOM 900 CD ARG A 87 -14.206 -23.459 3.790 1.00 0.00 C ATOM 901 NE ARG A 87 -15.124 -24.588 3.526 1.00 0.00 N ATOM 902 CZ ARG A 87 -16.311 -24.886 4.074 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.800 -24.228 5.125 1.00 0.00 N ATOM 904 NH2 ARG A 87 -17.022 -25.873 3.543 1.00 0.00 N ATOM 0 H ARG A 87 -12.363 -21.239 3.118 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.374 -20.599 5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.735 -22.906 4.584 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.967 -22.755 6.314 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.612 -24.277 5.690 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.503 -22.773 5.808 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.700 -22.537 3.483 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.328 -23.576 3.155 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.803 -25.244 2.814 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.266 -23.466 5.543 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.708 -24.487 5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.662 -26.385 2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.928 -26.120 3.941 1.00 0.00 H new ATOM 918 N SER A 88 -10.062 -20.343 5.348 1.00 0.00 N ATOM 919 CA SER A 88 -8.776 -20.061 5.974 1.00 0.00 C ATOM 920 C SER A 88 -8.498 -18.562 6.193 1.00 0.00 C ATOM 921 O SER A 88 -7.369 -18.202 6.539 1.00 0.00 O ATOM 922 CB SER A 88 -7.679 -20.760 5.168 1.00 0.00 C ATOM 923 OG SER A 88 -7.961 -22.151 5.084 1.00 0.00 O ATOM 0 H SER A 88 -9.991 -20.464 4.338 1.00 0.00 H new ATOM 0 HA SER A 88 -8.795 -20.463 6.987 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.618 -20.330 4.168 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.710 -20.603 5.642 1.00 0.00 H new ATOM 0 HG SER A 88 -8.610 -22.310 4.367 1.00 0.00 H new ATOM 929 N VAL A 89 -9.494 -17.679 6.034 1.00 0.00 N ATOM 930 CA VAL A 89 -9.383 -16.238 6.297 1.00 0.00 C ATOM 931 C VAL A 89 -10.509 -15.756 7.248 1.00 0.00 C ATOM 932 O VAL A 89 -11.101 -14.702 7.025 1.00 0.00 O ATOM 933 CB VAL A 89 -9.223 -15.515 4.929 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.330 -15.865 3.920 1.00 0.00 C ATOM 935 CG2 VAL A 89 -9.041 -13.992 5.009 1.00 0.00 C ATOM 0 H VAL A 89 -10.422 -17.954 5.711 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.491 -15.976 6.865 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.279 -15.916 4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.157 -15.326 2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.320 -16.938 3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.299 -15.579 4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.939 -13.584 4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.910 -13.547 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.145 -13.762 5.586 1.00 0.00 H new ATOM 945 N PRO A 90 -10.835 -16.474 8.344 1.00 0.00 N ATOM 946 CA PRO A 90 -12.026 -16.186 9.144 1.00 0.00 C ATOM 947 C PRO A 90 -11.937 -14.864 9.932 1.00 0.00 C ATOM 948 O PRO A 90 -12.963 -14.344 10.375 1.00 0.00 O ATOM 949 CB PRO A 90 -12.187 -17.392 10.075 1.00 0.00 C ATOM 950 CG PRO A 90 -10.748 -17.838 10.314 1.00 0.00 C ATOM 951 CD PRO A 90 -10.066 -17.542 8.979 1.00 0.00 C ATOM 0 HA PRO A 90 -12.892 -16.043 8.498 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.685 -17.119 11.006 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.782 -18.180 9.614 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.286 -17.287 11.133 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.691 -18.896 10.570 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.031 -17.236 9.132 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.045 -18.431 8.349 1.00 0.00 H new ATOM 959 N ALA A 91 -10.728 -14.313 10.115 1.00 0.00 N ATOM 960 CA ALA A 91 -10.527 -13.063 10.847 1.00 0.00 C ATOM 961 C ALA A 91 -10.805 -11.830 9.979 1.00 0.00 C ATOM 962 O ALA A 91 -10.806 -10.712 10.497 1.00 0.00 O ATOM 963 CB ALA A 91 -9.093 -13.027 11.393 1.00 0.00 C ATOM 0 H ALA A 91 -9.865 -14.724 9.758 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.240 -13.032 11.671 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.935 -12.098 11.940 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.937 -13.873 12.062 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.387 -13.085 10.565 1.00 0.00 H new ATOM 969 N VAL A 92 -11.015 -12.003 8.665 1.00 0.00 N ATOM 970 CA VAL A 92 -11.152 -10.894 7.717 1.00 0.00 C ATOM 971 C VAL A 92 -12.335 -11.127 6.761 1.00 0.00 C ATOM 972 O VAL A 92 -12.919 -10.172 6.251 1.00 0.00 O ATOM 973 CB VAL A 92 -9.813 -10.693 6.959 1.00 0.00 C ATOM 974 CG1 VAL A 92 -9.813 -9.391 6.150 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.575 -10.663 7.876 1.00 0.00 C ATOM 0 H VAL A 92 -11.095 -12.923 8.231 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.373 -9.976 8.262 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.743 -11.562 6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.860 -9.284 5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.621 -9.417 5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.958 -8.545 6.822 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.679 -10.519 7.273 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.669 -9.843 8.587 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.500 -11.606 8.418 1.00 0.00 H new ATOM 985 N VAL A 93 -12.737 -12.378 6.551 1.00 0.00 N ATOM 986 CA VAL A 93 -13.734 -12.803 5.579 1.00 0.00 C ATOM 987 C VAL A 93 -14.658 -13.810 6.275 1.00 0.00 C ATOM 988 O VAL A 93 -14.337 -14.346 7.337 1.00 0.00 O ATOM 989 CB VAL A 93 -12.962 -13.352 4.352 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.759 -14.203 3.349 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.283 -12.190 3.607 1.00 0.00 C ATOM 0 H VAL A 93 -12.355 -13.160 7.083 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.379 -12.004 5.212 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.243 -14.048 4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.102 -14.523 2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.164 -15.079 3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.577 -13.611 2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.741 -12.578 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.040 -11.482 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.586 -11.686 4.277 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.834 -14.029 5.693 1.00 0.00 N ATOM 1002 CA ARG A 94 -16.927 -14.827 6.253 1.00 0.00 C ATOM 1003 C ARG A 94 -17.560 -15.563 5.086 1.00 0.00 C ATOM 1004 O ARG A 94 -17.472 -15.093 3.957 1.00 0.00 O ATOM 1005 CB ARG A 94 -17.887 -13.863 6.986 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.287 -14.412 7.335 1.00 0.00 C ATOM 1007 CD ARG A 94 -20.054 -13.481 8.284 1.00 0.00 C ATOM 1008 NE ARG A 94 -20.118 -12.088 7.792 1.00 0.00 N ATOM 1009 CZ ARG A 94 -20.386 -11.007 8.541 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -20.918 -11.139 9.752 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -20.108 -9.801 8.062 1.00 0.00 N ATOM 0 H ARG A 94 -16.064 -13.639 4.779 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.611 -15.568 6.987 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.407 -13.542 7.911 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -18.014 -12.974 6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.861 -14.547 6.419 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.186 -15.395 7.796 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -21.067 -13.861 8.419 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.576 -13.494 9.263 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.944 -11.936 6.799 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -21.126 -12.068 10.119 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.118 -10.312 10.314 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.695 -9.703 7.134 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.307 -8.972 8.622 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.198 -16.699 5.329 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.846 -17.488 4.287 1.00 0.00 C ATOM 1027 C ILE A 95 -20.118 -18.124 4.850 1.00 0.00 C ATOM 1028 O ILE A 95 -20.204 -18.385 6.050 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.879 -18.555 3.711 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.347 -19.538 4.772 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.697 -17.910 2.969 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.382 -20.590 4.221 1.00 0.00 C ATOM 0 H ILE A 95 -18.282 -17.104 6.262 1.00 0.00 H new ATOM 0 HA ILE A 95 -19.121 -16.833 3.460 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.479 -19.129 3.005 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.842 -18.972 5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.192 -20.044 5.239 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -16.042 -18.690 2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -17.072 -17.306 2.143 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -16.138 -17.276 3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -16.054 -21.242 5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.887 -21.184 3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.517 -20.095 3.781 1.00 0.00 H new ATOM 1044 N GLU A 96 -21.077 -18.408 3.969 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.262 -19.195 4.258 1.00 0.00 C ATOM 1046 C GLU A 96 -22.334 -20.276 3.180 1.00 0.00 C ATOM 1047 O GLU A 96 -22.694 -19.995 2.037 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.531 -18.326 4.291 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.539 -17.319 5.447 1.00 0.00 C ATOM 1050 CD GLU A 96 -24.940 -16.707 5.650 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -25.440 -15.994 4.746 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -25.556 -16.936 6.723 1.00 0.00 O ATOM 0 H GLU A 96 -21.043 -18.082 3.003 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.200 -19.644 5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.621 -17.788 3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.405 -18.972 4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -23.220 -17.813 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.819 -16.526 5.245 1.00 0.00 H new ATOM 1059 N ALA A 97 -21.915 -21.500 3.521 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.116 -22.676 2.682 1.00 0.00 C ATOM 1061 C ALA A 97 -23.564 -23.122 2.892 1.00 0.00 C ATOM 1062 O ALA A 97 -23.954 -23.501 4.002 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.106 -23.768 3.046 1.00 0.00 C ATOM 0 H ALA A 97 -21.425 -21.698 4.393 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.950 -22.456 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.268 -24.640 2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.094 -23.392 2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.236 -24.050 4.091 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.709 -22.002 -1.865 1.00 0.00 N ATOM 1138 CA ILE A 103 -21.220 -21.131 -0.802 1.00 0.00 C ATOM 1139 C ILE A 103 -21.255 -19.699 -1.298 1.00 0.00 C ATOM 1140 O ILE A 103 -20.957 -19.447 -2.463 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.830 -21.610 -0.300 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -19.171 -20.652 0.718 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.845 -21.985 -1.412 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.302 -19.542 0.100 1.00 0.00 C ATOM 0 HA ILE A 103 -21.863 -21.178 0.077 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.066 -22.534 0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.955 -20.188 1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.554 -21.238 1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.902 -22.307 -0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.262 -22.796 -2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.669 -21.119 -2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.884 -18.923 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.492 -19.991 -0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.914 -18.925 -0.558 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.567 -18.778 -0.391 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.641 -17.348 -0.625 1.00 0.00 C ATOM 1158 C VAL A 104 -20.618 -16.705 0.315 1.00 0.00 C ATOM 1159 O VAL A 104 -20.596 -17.020 1.502 1.00 0.00 O ATOM 1160 CB VAL A 104 -23.088 -16.851 -0.375 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.269 -15.448 -0.977 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -24.162 -17.791 -0.965 1.00 0.00 C ATOM 0 H VAL A 104 -21.785 -19.026 0.574 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.406 -17.079 -1.655 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.227 -16.832 0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.288 -15.104 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.566 -14.758 -0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -23.082 -15.486 -2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -25.153 -17.388 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -24.023 -17.871 -2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -24.070 -18.778 -0.513 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.724 -15.882 -0.224 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.648 -15.238 0.516 1.00 0.00 C ATOM 1174 C CYS A 105 -19.074 -13.840 0.953 1.00 0.00 C ATOM 1175 O CYS A 105 -19.811 -13.179 0.225 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.410 -15.129 -0.392 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.156 -16.629 -1.384 1.00 0.00 S ATOM 0 H CYS A 105 -19.730 -15.639 -1.215 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.415 -15.832 1.400 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.522 -14.271 -1.055 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.527 -14.946 0.220 1.00 0.00 H new ATOM 0 HG CYS A 105 -18.011 -16.652 -2.363 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.520 -13.364 2.072 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.784 -12.059 2.677 1.00 0.00 C ATOM 1185 C TYR A 106 -17.514 -11.520 3.324 1.00 0.00 C ATOM 1186 O TYR A 106 -16.555 -12.262 3.531 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.848 -12.216 3.766 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.202 -12.612 3.248 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -22.018 -11.636 2.646 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.639 -13.945 3.370 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.314 -11.977 2.225 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.920 -14.296 2.919 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.773 -13.311 2.357 1.00 0.00 C ATOM 1194 OH TYR A 106 -25.031 -13.638 1.942 1.00 0.00 O ATOM 0 H TYR A 106 -17.841 -13.907 2.606 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.126 -11.372 1.903 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.511 -12.965 4.482 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.939 -11.275 4.308 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.650 -10.630 2.508 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.993 -14.692 3.808 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.960 -11.223 1.801 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.258 -15.319 3.000 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.190 -14.592 2.101 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.509 -10.236 3.688 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.405 -9.643 4.434 1.00 0.00 C ATOM 1206 C ALA A 107 -16.654 -9.764 5.938 1.00 0.00 C ATOM 1207 O ALA A 107 -17.779 -10.036 6.364 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.253 -8.164 4.054 1.00 0.00 C ATOM 0 H ALA A 107 -18.265 -9.585 3.475 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.488 -10.177 4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.427 -7.727 4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.050 -8.082 2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.174 -7.631 4.291 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.616 -9.483 6.723 1.00 0.00 N ATOM 1215 CA VAL A 108 -15.695 -9.341 8.180 1.00 0.00 C ATOM 1216 C VAL A 108 -14.809 -8.191 8.700 1.00 0.00 C ATOM 1217 O VAL A 108 -15.185 -7.559 9.692 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.415 -10.717 8.845 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -14.342 -10.741 9.944 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.715 -11.292 9.428 1.00 0.00 C ATOM 0 H VAL A 108 -14.674 -9.344 6.358 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.705 -9.045 8.465 1.00 0.00 H new ATOM 0 HB VAL A 108 -15.015 -11.322 8.031 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -14.239 -11.755 10.329 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.389 -10.411 9.530 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.636 -10.073 10.754 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.510 -12.257 9.892 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.113 -10.606 10.176 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.446 -11.422 8.630 1.00 0.00 H new ATOM 1230 N ALA A 109 -13.686 -7.876 8.043 1.00 0.00 N ATOM 1231 CA ALA A 109 -12.807 -6.756 8.388 1.00 0.00 C ATOM 1232 C ALA A 109 -12.189 -6.193 7.106 1.00 0.00 C ATOM 1233 O ALA A 109 -11.123 -5.536 7.163 1.00 0.00 O ATOM 1234 CB ALA A 109 -11.735 -7.208 9.390 1.00 0.00 C ATOM 1235 OXT ALA A 109 -12.807 -6.403 6.040 1.00 0.00 O ATOM 0 H ALA A 109 -13.357 -8.407 7.237 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.382 -5.965 8.869 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.089 -6.365 9.637 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.216 -7.575 10.297 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.137 -8.006 8.948 1.00 0.00 H new