USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 850 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 29 TYR OH : rot 33:sc= -1.58! USER MOD Set 1.2: A 80 ASN : amide:sc= -1.12 K(o=-2.3,f=-4.5!) USER MOD Set 1.3: A 97 THR OG1 : rot -104:sc= 0.428 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0649) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= -0.0229 (180deg=-0.339) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-10!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.00318 USER MOD Single : A 53 SER OG : rot 180:sc= 0.656 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 100:sc= -0.84 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -173:sc= -1.06 (180deg=-1.23) USER MOD Single : A 70 THR OG1 : rot 60:sc= 0.775 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0594 USER MOD Single : A 74 ASN : amide:sc=-0.000457 X(o=-0.00046,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -103:sc= 0.382 USER MOD Single : A 81 THR OG1 : rot 69:sc= 0.289 USER MOD Single : A 83 CYS SG : rot 87:sc= 0.156 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.311 USER MOD Single : A 89 HIS : no HD1:sc= -0.467 K(o=-0.47,f=-3.8!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 160:sc= -0.0339 (180deg=-0.304) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.8!) USER MOD Single : A 107 HIS : no HD1:sc= 0.0164 K(o=0.016,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 102 N ARG A 9 5.445 7.348 -3.795 1.00 32.51 N ATOM 103 CA ARG A 9 6.417 8.211 -4.455 1.00 1.44 C ATOM 104 C ARG A 9 7.151 7.458 -5.560 1.00 10.33 C ATOM 105 O ARG A 9 6.807 6.323 -5.888 1.00 45.04 O ATOM 106 CB ARG A 9 7.423 8.754 -3.438 1.00 61.12 C ATOM 107 CG ARG A 9 7.454 10.272 -3.362 1.00 21.51 C ATOM 108 CD ARG A 9 6.357 10.807 -2.455 1.00 34.44 C ATOM 109 NE ARG A 9 5.392 11.622 -3.186 1.00 2.12 N ATOM 110 CZ ARG A 9 4.408 12.297 -2.601 1.00 14.53 C ATOM 111 NH1 ARG A 9 4.262 12.255 -1.284 1.00 23.03 N ATOM 112 NH2 ARG A 9 3.569 13.018 -3.335 1.00 24.21 N ATOM 0 HA ARG A 9 5.878 9.045 -4.904 1.00 1.44 H new ATOM 0 HB2 ARG A 9 7.182 8.354 -2.453 1.00 61.12 H new ATOM 0 HB3 ARG A 9 8.418 8.391 -3.695 1.00 61.12 H new ATOM 0 HG2 ARG A 9 8.426 10.599 -2.992 1.00 21.51 H new ATOM 0 HG3 ARG A 9 7.337 10.690 -4.362 1.00 21.51 H new ATOM 0 HD2 ARG A 9 5.841 9.973 -1.980 1.00 34.44 H new ATOM 0 HD3 ARG A 9 6.803 11.401 -1.658 1.00 34.44 H new ATOM 0 HE ARG A 9 5.477 11.676 -4.201 1.00 2.12 H new ATOM 0 HH11 ARG A 9 4.906 11.704 -0.717 1.00 23.03 H new ATOM 0 HH12 ARG A 9 3.506 12.774 -0.838 1.00 23.03 H new ATOM 0 HH21 ARG A 9 3.679 13.054 -4.348 1.00 24.21 H new ATOM 0 HH22 ARG A 9 2.814 13.536 -2.886 1.00 24.21 H new ATOM 126 N GLY A 10 8.164 8.099 -6.134 1.00 54.32 N ATOM 127 CA GLY A 10 8.931 7.476 -7.197 1.00 33.44 C ATOM 128 C GLY A 10 9.922 6.455 -6.675 1.00 52.03 C ATOM 129 O GLY A 10 9.974 5.325 -7.160 1.00 30.41 O ATOM 0 H GLY A 10 8.468 9.040 -5.882 1.00 54.32 H new ATOM 0 HA2 GLY A 10 8.250 6.992 -7.897 1.00 33.44 H new ATOM 0 HA3 GLY A 10 9.466 8.245 -7.754 1.00 33.44 H new ATOM 133 N LYS A 11 10.712 6.852 -5.684 1.00 11.40 N ATOM 134 CA LYS A 11 11.708 5.964 -5.096 1.00 40.35 C ATOM 135 C LYS A 11 11.040 4.873 -4.265 1.00 24.42 C ATOM 136 O LYS A 11 11.447 3.712 -4.306 1.00 60.14 O ATOM 137 CB LYS A 11 12.680 6.762 -4.222 1.00 25.33 C ATOM 138 CG LYS A 11 14.071 6.887 -4.819 1.00 71.13 C ATOM 139 CD LYS A 11 15.148 6.708 -3.762 1.00 54.24 C ATOM 140 CE LYS A 11 16.407 6.087 -4.349 1.00 11.22 C ATOM 141 NZ LYS A 11 17.620 6.893 -4.036 1.00 70.15 N ATOM 0 H LYS A 11 10.682 7.784 -5.270 1.00 11.40 H new ATOM 0 HA LYS A 11 12.262 5.491 -5.907 1.00 40.35 H new ATOM 0 HB2 LYS A 11 12.273 7.760 -4.058 1.00 25.33 H new ATOM 0 HB3 LYS A 11 12.754 6.284 -3.245 1.00 25.33 H new ATOM 0 HG2 LYS A 11 14.201 6.140 -5.602 1.00 71.13 H new ATOM 0 HG3 LYS A 11 14.180 7.864 -5.289 1.00 71.13 H new ATOM 0 HD2 LYS A 11 15.390 7.675 -3.320 1.00 54.24 H new ATOM 0 HD3 LYS A 11 14.770 6.076 -2.959 1.00 54.24 H new ATOM 0 HE2 LYS A 11 16.531 5.077 -3.957 1.00 11.22 H new ATOM 0 HE3 LYS A 11 16.299 5.999 -5.430 1.00 11.22 H new ATOM 0 HZ1 LYS A 11 18.457 6.437 -4.453 1.00 70.15 H new ATOM 0 HZ2 LYS A 11 17.513 7.849 -4.431 1.00 70.15 H new ATOM 0 HZ3 LYS A 11 17.738 6.956 -3.005 1.00 70.15 H new ATOM 155 N LYS A 12 10.011 5.253 -3.514 1.00 30.02 N ATOM 156 CA LYS A 12 9.285 4.306 -2.677 1.00 41.54 C ATOM 157 C LYS A 12 8.578 3.256 -3.528 1.00 14.14 C ATOM 158 O LYS A 12 8.539 2.079 -3.172 1.00 53.31 O ATOM 159 CB LYS A 12 8.264 5.044 -1.807 1.00 22.51 C ATOM 160 CG LYS A 12 8.800 5.438 -0.442 1.00 1.23 C ATOM 161 CD LYS A 12 10.059 6.281 -0.560 1.00 43.42 C ATOM 162 CE LYS A 12 10.272 7.139 0.678 1.00 10.13 C ATOM 163 NZ LYS A 12 10.301 6.322 1.922 1.00 23.31 N ATOM 0 H LYS A 12 9.662 6.210 -3.468 1.00 30.02 H new ATOM 0 HA LYS A 12 10.006 3.801 -2.034 1.00 41.54 H new ATOM 0 HB2 LYS A 12 7.934 5.941 -2.331 1.00 22.51 H new ATOM 0 HB3 LYS A 12 7.387 4.411 -1.675 1.00 22.51 H new ATOM 0 HG2 LYS A 12 8.038 5.995 0.102 1.00 1.23 H new ATOM 0 HG3 LYS A 12 9.015 4.541 0.139 1.00 1.23 H new ATOM 0 HD2 LYS A 12 10.921 5.631 -0.706 1.00 43.42 H new ATOM 0 HD3 LYS A 12 9.989 6.921 -1.440 1.00 43.42 H new ATOM 0 HE2 LYS A 12 11.209 7.688 0.582 1.00 10.13 H new ATOM 0 HE3 LYS A 12 9.475 7.879 0.748 1.00 10.13 H new ATOM 0 HZ1 LYS A 12 10.614 6.913 2.718 1.00 23.31 H new ATOM 0 HZ2 LYS A 12 9.348 5.954 2.118 1.00 23.31 H new ATOM 0 HZ3 LYS A 12 10.961 5.527 1.800 1.00 23.31 H new ATOM 177 N ALA A 13 8.024 3.690 -4.656 1.00 51.25 N ATOM 178 CA ALA A 13 7.324 2.786 -5.560 1.00 44.20 C ATOM 179 C ALA A 13 8.198 1.594 -5.931 1.00 52.31 C ATOM 180 O ALA A 13 7.724 0.459 -5.994 1.00 51.31 O ATOM 181 CB ALA A 13 6.882 3.530 -6.812 1.00 41.34 C ATOM 0 H ALA A 13 8.047 4.662 -4.965 1.00 51.25 H new ATOM 0 HA ALA A 13 6.441 2.408 -5.044 1.00 44.20 H new ATOM 0 HB1 ALA A 13 6.361 2.843 -7.478 1.00 41.34 H new ATOM 0 HB2 ALA A 13 6.213 4.344 -6.534 1.00 41.34 H new ATOM 0 HB3 ALA A 13 7.756 3.936 -7.321 1.00 41.34 H new ATOM 187 N ASP A 14 9.477 1.858 -6.177 1.00 42.05 N ATOM 188 CA ASP A 14 10.419 0.806 -6.542 1.00 63.44 C ATOM 189 C ASP A 14 10.472 -0.273 -5.464 1.00 30.30 C ATOM 190 O ASP A 14 10.859 -1.410 -5.731 1.00 75.34 O ATOM 191 CB ASP A 14 11.813 1.394 -6.762 1.00 51.35 C ATOM 192 CG ASP A 14 12.125 1.609 -8.230 1.00 73.24 C ATOM 193 OD1 ASP A 14 11.748 0.746 -9.049 1.00 60.23 O ATOM 194 OD2 ASP A 14 12.747 2.641 -8.560 1.00 61.24 O ATOM 0 H ASP A 14 9.885 2.792 -6.130 1.00 42.05 H new ATOM 0 HA ASP A 14 10.075 0.350 -7.471 1.00 63.44 H new ATOM 0 HB2 ASP A 14 11.891 2.344 -6.234 1.00 51.35 H new ATOM 0 HB3 ASP A 14 12.558 0.727 -6.329 1.00 51.35 H new ATOM 199 N GLU A 15 10.082 0.093 -4.247 1.00 31.24 N ATOM 200 CA GLU A 15 10.087 -0.844 -3.130 1.00 34.53 C ATOM 201 C GLU A 15 8.717 -1.492 -2.956 1.00 1.43 C ATOM 202 O GLU A 15 8.613 -2.695 -2.711 1.00 35.21 O ATOM 203 CB GLU A 15 10.494 -0.130 -1.839 1.00 61.12 C ATOM 204 CG GLU A 15 11.842 -0.575 -1.296 1.00 63.33 C ATOM 205 CD GLU A 15 12.976 0.332 -1.734 1.00 62.24 C ATOM 206 OE1 GLU A 15 12.969 1.519 -1.345 1.00 5.34 O ATOM 207 OE2 GLU A 15 13.870 -0.145 -2.463 1.00 3.24 O ATOM 0 H GLU A 15 9.759 1.031 -4.010 1.00 31.24 H new ATOM 0 HA GLU A 15 10.814 -1.626 -3.349 1.00 34.53 H new ATOM 0 HB2 GLU A 15 10.522 0.944 -2.021 1.00 61.12 H new ATOM 0 HB3 GLU A 15 9.731 -0.305 -1.081 1.00 61.12 H new ATOM 0 HG2 GLU A 15 11.801 -0.599 -0.207 1.00 63.33 H new ATOM 0 HG3 GLU A 15 12.046 -1.592 -1.630 1.00 63.33 H new ATOM 214 N LEU A 16 7.668 -0.687 -3.083 1.00 71.11 N ATOM 215 CA LEU A 16 6.303 -1.180 -2.939 1.00 10.15 C ATOM 216 C LEU A 16 5.959 -2.162 -4.055 1.00 65.04 C ATOM 217 O LEU A 16 5.339 -3.197 -3.814 1.00 62.35 O ATOM 218 CB LEU A 16 5.315 -0.013 -2.949 1.00 45.22 C ATOM 219 CG LEU A 16 3.884 -0.342 -2.521 1.00 11.33 C ATOM 220 CD1 LEU A 16 3.109 -0.956 -3.677 1.00 33.21 C ATOM 221 CD2 LEU A 16 3.888 -1.279 -1.322 1.00 4.40 C ATOM 0 H LEU A 16 7.737 0.310 -3.285 1.00 71.11 H new ATOM 0 HA LEU A 16 6.230 -1.702 -1.985 1.00 10.15 H new ATOM 0 HB2 LEU A 16 5.699 0.768 -2.292 1.00 45.22 H new ATOM 0 HB3 LEU A 16 5.285 0.403 -3.956 1.00 45.22 H new ATOM 0 HG LEU A 16 3.390 0.585 -2.231 1.00 11.33 H new ATOM 0 HD11 LEU A 16 2.093 -1.184 -3.354 1.00 33.21 H new ATOM 0 HD12 LEU A 16 3.076 -0.251 -4.508 1.00 33.21 H new ATOM 0 HD13 LEU A 16 3.602 -1.874 -3.999 1.00 33.21 H new ATOM 0 HD21 LEU A 16 2.861 -1.502 -1.031 1.00 4.40 H new ATOM 0 HD22 LEU A 16 4.400 -2.205 -1.585 1.00 4.40 H new ATOM 0 HD23 LEU A 16 4.405 -0.802 -0.489 1.00 4.40 H new ATOM 233 N GLU A 17 6.368 -1.831 -5.276 1.00 54.44 N ATOM 234 CA GLU A 17 6.104 -2.685 -6.427 1.00 5.43 C ATOM 235 C GLU A 17 7.063 -3.871 -6.457 1.00 54.11 C ATOM 236 O GLU A 17 6.882 -4.811 -7.231 1.00 1.51 O ATOM 237 CB GLU A 17 6.226 -1.882 -7.724 1.00 61.11 C ATOM 238 CG GLU A 17 5.099 -0.886 -7.933 1.00 64.21 C ATOM 239 CD GLU A 17 3.815 -1.546 -8.400 1.00 54.32 C ATOM 240 OE1 GLU A 17 3.814 -2.782 -8.576 1.00 22.23 O ATOM 241 OE2 GLU A 17 2.813 -0.826 -8.589 1.00 4.34 O ATOM 0 H GLU A 17 6.883 -0.978 -5.493 1.00 54.44 H new ATOM 0 HA GLU A 17 5.087 -3.066 -6.338 1.00 5.43 H new ATOM 0 HB2 GLU A 17 7.176 -1.347 -7.722 1.00 61.11 H new ATOM 0 HB3 GLU A 17 6.250 -2.572 -8.567 1.00 61.11 H new ATOM 0 HG2 GLU A 17 4.911 -0.355 -7.000 1.00 64.21 H new ATOM 0 HG3 GLU A 17 5.408 -0.142 -8.667 1.00 64.21 H new ATOM 248 N ARG A 18 8.085 -3.819 -5.609 1.00 11.43 N ATOM 249 CA ARG A 18 9.076 -4.886 -5.539 1.00 62.21 C ATOM 250 C ARG A 18 8.615 -5.994 -4.597 1.00 40.44 C ATOM 251 O ARG A 18 8.703 -7.178 -4.924 1.00 52.14 O ATOM 252 CB ARG A 18 10.423 -4.332 -5.072 1.00 52.03 C ATOM 253 CG ARG A 18 11.444 -5.409 -4.745 1.00 2.32 C ATOM 254 CD ARG A 18 12.851 -4.978 -5.132 1.00 62.03 C ATOM 255 NE ARG A 18 13.649 -4.609 -3.965 1.00 31.34 N ATOM 256 CZ ARG A 18 14.260 -5.493 -3.184 1.00 64.30 C ATOM 257 NH1 ARG A 18 14.164 -6.789 -3.442 1.00 30.31 N ATOM 258 NH2 ARG A 18 14.969 -5.079 -2.141 1.00 31.30 N ATOM 0 H ARG A 18 8.248 -3.049 -4.961 1.00 11.43 H new ATOM 0 HA ARG A 18 9.192 -5.306 -6.538 1.00 62.21 H new ATOM 0 HB2 ARG A 18 10.828 -3.683 -5.848 1.00 52.03 H new ATOM 0 HB3 ARG A 18 10.265 -3.713 -4.189 1.00 52.03 H new ATOM 0 HG2 ARG A 18 11.411 -5.632 -3.679 1.00 2.32 H new ATOM 0 HG3 ARG A 18 11.186 -6.328 -5.271 1.00 2.32 H new ATOM 0 HD2 ARG A 18 13.345 -5.789 -5.667 1.00 62.03 H new ATOM 0 HD3 ARG A 18 12.796 -4.131 -5.816 1.00 62.03 H new ATOM 0 HE ARG A 18 13.742 -3.619 -3.738 1.00 31.34 H new ATOM 0 HH11 ARG A 18 13.620 -7.111 -4.242 1.00 30.31 H new ATOM 0 HH12 ARG A 18 14.634 -7.465 -2.840 1.00 30.31 H new ATOM 0 HH21 ARG A 18 15.045 -4.082 -1.939 1.00 31.30 H new ATOM 0 HH22 ARG A 18 15.438 -5.758 -1.541 1.00 31.30 H new ATOM 272 N ILE A 19 8.123 -5.602 -3.426 1.00 12.41 N ATOM 273 CA ILE A 19 7.647 -6.560 -2.437 1.00 75.11 C ATOM 274 C ILE A 19 6.668 -7.550 -3.057 1.00 74.30 C ATOM 275 O ILE A 19 5.745 -7.161 -3.771 1.00 3.10 O ATOM 276 CB ILE A 19 6.964 -5.855 -1.251 1.00 54.24 C ATOM 277 CG1 ILE A 19 7.942 -4.895 -0.569 1.00 40.11 C ATOM 278 CG2 ILE A 19 6.439 -6.878 -0.256 1.00 23.34 C ATOM 279 CD1 ILE A 19 7.284 -3.643 -0.033 1.00 40.43 C ATOM 0 H ILE A 19 8.044 -4.626 -3.140 1.00 12.41 H new ATOM 0 HA ILE A 19 8.523 -7.097 -2.073 1.00 75.11 H new ATOM 0 HB ILE A 19 6.120 -5.278 -1.628 1.00 54.24 H new ATOM 0 HG12 ILE A 19 8.437 -5.415 0.251 1.00 40.11 H new ATOM 0 HG13 ILE A 19 8.717 -4.612 -1.281 1.00 40.11 H new ATOM 0 HG21 ILE A 19 5.959 -6.363 0.576 1.00 23.34 H new ATOM 0 HG22 ILE A 19 5.714 -7.526 -0.749 1.00 23.34 H new ATOM 0 HG23 ILE A 19 7.267 -7.480 0.119 1.00 23.34 H new ATOM 0 HD11 ILE A 19 8.036 -3.009 0.437 1.00 40.43 H new ATOM 0 HD12 ILE A 19 6.813 -3.100 -0.852 1.00 40.43 H new ATOM 0 HD13 ILE A 19 6.528 -3.916 0.704 1.00 40.43 H new ATOM 291 N ARG A 20 6.876 -8.833 -2.779 1.00 72.13 N ATOM 292 CA ARG A 20 6.011 -9.880 -3.309 1.00 51.31 C ATOM 293 C ARG A 20 5.041 -10.378 -2.241 1.00 2.53 C ATOM 294 O ARG A 20 5.366 -10.395 -1.053 1.00 5.21 O ATOM 295 CB ARG A 20 6.849 -11.047 -3.835 1.00 70.14 C ATOM 296 CG ARG A 20 7.397 -10.821 -5.235 1.00 44.52 C ATOM 297 CD ARG A 20 8.653 -11.642 -5.480 1.00 2.52 C ATOM 298 NE ARG A 20 9.844 -10.802 -5.587 1.00 20.02 N ATOM 299 CZ ARG A 20 11.079 -11.285 -5.648 1.00 55.25 C ATOM 300 NH1 ARG A 20 11.287 -12.593 -5.612 1.00 31.32 N ATOM 301 NH2 ARG A 20 12.113 -10.456 -5.745 1.00 65.10 N ATOM 0 H ARG A 20 7.636 -9.172 -2.190 1.00 72.13 H new ATOM 0 HA ARG A 20 5.434 -9.456 -4.131 1.00 51.31 H new ATOM 0 HB2 ARG A 20 7.680 -11.223 -3.153 1.00 70.14 H new ATOM 0 HB3 ARG A 20 6.239 -11.951 -3.834 1.00 70.14 H new ATOM 0 HG2 ARG A 20 6.638 -11.086 -5.971 1.00 44.52 H new ATOM 0 HG3 ARG A 20 7.620 -9.763 -5.374 1.00 44.52 H new ATOM 0 HD2 ARG A 20 8.784 -12.355 -4.666 1.00 2.52 H new ATOM 0 HD3 ARG A 20 8.535 -12.221 -6.396 1.00 2.52 H new ATOM 0 HE ARG A 20 9.720 -9.790 -5.616 1.00 20.02 H new ATOM 0 HH11 ARG A 20 10.496 -13.233 -5.537 1.00 31.32 H new ATOM 0 HH12 ARG A 20 12.238 -12.960 -5.659 1.00 31.32 H new ATOM 0 HH21 ARG A 20 11.958 -9.448 -5.773 1.00 65.10 H new ATOM 0 HH22 ARG A 20 13.062 -10.827 -5.792 1.00 65.10 H new ATOM 315 N LEU A 21 3.851 -10.780 -2.671 1.00 20.11 N ATOM 316 CA LEU A 21 2.833 -11.277 -1.752 1.00 65.24 C ATOM 317 C LEU A 21 3.282 -12.577 -1.093 1.00 34.21 C ATOM 318 O LEU A 21 2.779 -12.954 -0.035 1.00 50.12 O ATOM 319 CB LEU A 21 1.513 -11.498 -2.492 1.00 20.24 C ATOM 320 CG LEU A 21 0.928 -10.276 -3.201 1.00 41.23 C ATOM 321 CD1 LEU A 21 0.095 -10.701 -4.399 1.00 2.23 C ATOM 322 CD2 LEU A 21 0.091 -9.449 -2.235 1.00 74.44 C ATOM 0 H LEU A 21 3.567 -10.772 -3.651 1.00 20.11 H new ATOM 0 HA LEU A 21 2.686 -10.528 -0.974 1.00 65.24 H new ATOM 0 HB2 LEU A 21 1.661 -12.285 -3.231 1.00 20.24 H new ATOM 0 HB3 LEU A 21 0.776 -11.866 -1.778 1.00 20.24 H new ATOM 0 HG LEU A 21 1.752 -9.659 -3.558 1.00 41.23 H new ATOM 0 HD11 LEU A 21 -0.313 -9.818 -4.890 1.00 2.23 H new ATOM 0 HD12 LEU A 21 0.722 -11.250 -5.102 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -0.722 -11.340 -4.065 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -0.317 -8.583 -2.757 1.00 74.44 H new ATOM 0 HD22 LEU A 21 -0.726 -10.058 -1.848 1.00 74.44 H new ATOM 0 HD23 LEU A 21 0.716 -9.113 -1.408 1.00 74.44 H new ATOM 334 N ARG A 22 4.235 -13.256 -1.724 1.00 24.10 N ATOM 335 CA ARG A 22 4.753 -14.513 -1.198 1.00 74.12 C ATOM 336 C ARG A 22 6.274 -14.570 -1.325 1.00 45.30 C ATOM 337 O ARG A 22 6.880 -13.861 -2.128 1.00 53.54 O ATOM 338 CB ARG A 22 4.125 -15.696 -1.935 1.00 24.20 C ATOM 339 CG ARG A 22 2.764 -16.099 -1.391 1.00 4.44 C ATOM 340 CD ARG A 22 1.879 -16.681 -2.482 1.00 61.43 C ATOM 341 NE ARG A 22 2.073 -18.121 -2.634 1.00 75.23 N ATOM 342 CZ ARG A 22 1.660 -19.017 -1.743 1.00 12.44 C ATOM 343 NH1 ARG A 22 1.033 -18.623 -0.644 1.00 51.24 N ATOM 344 NH2 ARG A 22 1.875 -20.309 -1.953 1.00 72.05 N ATOM 0 H ARG A 22 4.664 -12.957 -2.600 1.00 24.10 H new ATOM 0 HA ARG A 22 4.491 -14.571 -0.142 1.00 74.12 H new ATOM 0 HB2 ARG A 22 4.025 -15.444 -2.991 1.00 24.20 H new ATOM 0 HB3 ARG A 22 4.799 -16.551 -1.874 1.00 24.20 H new ATOM 0 HG2 ARG A 22 2.892 -16.832 -0.595 1.00 4.44 H new ATOM 0 HG3 ARG A 22 2.276 -15.230 -0.949 1.00 4.44 H new ATOM 0 HD2 ARG A 22 0.834 -16.479 -2.247 1.00 61.43 H new ATOM 0 HD3 ARG A 22 2.095 -16.184 -3.428 1.00 61.43 H new ATOM 0 HE ARG A 22 2.552 -18.457 -3.470 1.00 75.23 H new ATOM 0 HH11 ARG A 22 0.866 -17.630 -0.480 1.00 51.24 H new ATOM 0 HH12 ARG A 22 0.717 -19.313 0.038 1.00 51.24 H new ATOM 0 HH21 ARG A 22 2.357 -20.615 -2.798 1.00 72.05 H new ATOM 0 HH22 ARG A 22 1.558 -20.996 -1.269 1.00 72.05 H new ATOM 358 N PRO A 23 6.903 -15.433 -0.515 1.00 13.13 N ATOM 359 CA PRO A 23 8.360 -15.603 -0.518 1.00 3.52 C ATOM 360 C PRO A 23 8.861 -16.278 -1.790 1.00 33.53 C ATOM 361 O PRO A 23 9.960 -15.991 -2.266 1.00 44.44 O ATOM 362 CB PRO A 23 8.615 -16.495 0.698 1.00 23.41 C ATOM 363 CG PRO A 23 7.342 -17.244 0.894 1.00 5.04 C ATOM 364 CD PRO A 23 6.243 -16.310 0.466 1.00 53.34 C ATOM 0 HA PRO A 23 8.883 -14.647 -0.479 1.00 3.52 H new ATOM 0 HB2 PRO A 23 9.450 -17.173 0.523 1.00 23.41 H new ATOM 0 HB3 PRO A 23 8.865 -15.902 1.578 1.00 23.41 H new ATOM 0 HG2 PRO A 23 7.331 -18.158 0.300 1.00 5.04 H new ATOM 0 HG3 PRO A 23 7.219 -17.540 1.936 1.00 5.04 H new ATOM 0 HD2 PRO A 23 5.406 -16.850 0.023 1.00 53.34 H new ATOM 0 HD3 PRO A 23 5.846 -15.743 1.309 1.00 53.34 H new ATOM 372 N GLY A 24 8.049 -17.178 -2.336 1.00 34.35 N ATOM 373 CA GLY A 24 8.429 -17.881 -3.549 1.00 54.51 C ATOM 374 C GLY A 24 7.487 -17.597 -4.702 1.00 53.13 C ATOM 375 O GLY A 24 7.420 -18.366 -5.660 1.00 5.23 O ATOM 0 H GLY A 24 7.135 -17.433 -1.961 1.00 34.35 H new ATOM 0 HA2 GLY A 24 9.441 -17.592 -3.831 1.00 54.51 H new ATOM 0 HA3 GLY A 24 8.447 -18.953 -3.354 1.00 54.51 H new ATOM 379 N GLY A 25 6.755 -16.491 -4.609 1.00 14.24 N ATOM 380 CA GLY A 25 5.821 -16.129 -5.658 1.00 13.44 C ATOM 381 C GLY A 25 6.384 -15.086 -6.603 1.00 35.44 C ATOM 382 O GLY A 25 7.532 -14.662 -6.459 1.00 23.31 O ATOM 0 H GLY A 25 6.793 -15.839 -3.825 1.00 14.24 H new ATOM 0 HA2 GLY A 25 5.553 -17.021 -6.225 1.00 13.44 H new ATOM 0 HA3 GLY A 25 4.904 -15.749 -5.208 1.00 13.44 H new ATOM 386 N LYS A 26 5.578 -14.672 -7.574 1.00 33.34 N ATOM 387 CA LYS A 26 6.002 -13.673 -8.548 1.00 53.21 C ATOM 388 C LYS A 26 5.049 -12.482 -8.556 1.00 44.23 C ATOM 389 O LYS A 26 5.213 -11.547 -9.341 1.00 43.24 O ATOM 390 CB LYS A 26 6.075 -14.291 -9.946 1.00 60.45 C ATOM 391 CG LYS A 26 7.134 -13.663 -10.835 1.00 41.13 C ATOM 392 CD LYS A 26 7.245 -14.386 -12.166 1.00 64.01 C ATOM 393 CE LYS A 26 5.982 -14.222 -12.997 1.00 24.24 C ATOM 394 NZ LYS A 26 6.286 -13.800 -14.393 1.00 33.10 N ATOM 0 H LYS A 26 4.626 -15.013 -7.708 1.00 33.34 H new ATOM 0 HA LYS A 26 6.993 -13.321 -8.261 1.00 53.21 H new ATOM 0 HB2 LYS A 26 6.278 -15.358 -9.852 1.00 60.45 H new ATOM 0 HB3 LYS A 26 5.103 -14.193 -10.429 1.00 60.45 H new ATOM 0 HG2 LYS A 26 6.890 -12.615 -11.009 1.00 41.13 H new ATOM 0 HG3 LYS A 26 8.098 -13.686 -10.326 1.00 41.13 H new ATOM 0 HD2 LYS A 26 8.100 -13.999 -12.721 1.00 64.01 H new ATOM 0 HD3 LYS A 26 7.432 -15.446 -11.991 1.00 64.01 H new ATOM 0 HE2 LYS A 26 5.434 -15.164 -13.014 1.00 24.24 H new ATOM 0 HE3 LYS A 26 5.332 -13.483 -12.528 1.00 24.24 H new ATOM 0 HZ1 LYS A 26 5.399 -13.699 -14.926 1.00 33.10 H new ATOM 0 HZ2 LYS A 26 6.787 -12.889 -14.379 1.00 33.10 H new ATOM 0 HZ3 LYS A 26 6.885 -14.517 -14.850 1.00 33.10 H new ATOM 408 N LYS A 27 4.052 -12.522 -7.678 1.00 34.22 N ATOM 409 CA LYS A 27 3.074 -11.446 -7.582 1.00 43.42 C ATOM 410 C LYS A 27 3.588 -10.321 -6.688 1.00 21.24 C ATOM 411 O LYS A 27 4.066 -10.564 -5.579 1.00 24.43 O ATOM 412 CB LYS A 27 1.749 -11.981 -7.034 1.00 23.41 C ATOM 413 CG LYS A 27 1.016 -12.896 -8.001 1.00 0.34 C ATOM 414 CD LYS A 27 -0.478 -12.618 -8.007 1.00 21.35 C ATOM 415 CE LYS A 27 -1.099 -12.946 -9.357 1.00 44.31 C ATOM 416 NZ LYS A 27 -2.453 -12.343 -9.505 1.00 51.11 N ATOM 0 H LYS A 27 3.901 -13.289 -7.023 1.00 34.22 H new ATOM 0 HA LYS A 27 2.912 -11.046 -8.583 1.00 43.42 H new ATOM 0 HB2 LYS A 27 1.941 -12.523 -6.108 1.00 23.41 H new ATOM 0 HB3 LYS A 27 1.103 -11.140 -6.783 1.00 23.41 H new ATOM 0 HG2 LYS A 27 1.416 -12.761 -9.006 1.00 0.34 H new ATOM 0 HG3 LYS A 27 1.193 -13.936 -7.725 1.00 0.34 H new ATOM 0 HD2 LYS A 27 -0.962 -13.208 -7.229 1.00 21.35 H new ATOM 0 HD3 LYS A 27 -0.655 -11.569 -7.769 1.00 21.35 H new ATOM 0 HE2 LYS A 27 -0.450 -12.582 -10.154 1.00 44.31 H new ATOM 0 HE3 LYS A 27 -1.168 -14.028 -9.472 1.00 44.31 H new ATOM 0 HZ1 LYS A 27 -2.843 -12.589 -10.437 1.00 51.11 H new ATOM 0 HZ2 LYS A 27 -3.080 -12.710 -8.760 1.00 51.11 H new ATOM 0 HZ3 LYS A 27 -2.384 -11.309 -9.421 1.00 51.11 H new ATOM 430 N LYS A 28 3.485 -9.090 -7.176 1.00 74.12 N ATOM 431 CA LYS A 28 3.936 -7.927 -6.422 1.00 54.13 C ATOM 432 C LYS A 28 2.753 -7.080 -5.967 1.00 1.32 C ATOM 433 O LYS A 28 1.690 -7.095 -6.590 1.00 72.12 O ATOM 434 CB LYS A 28 4.887 -7.080 -7.271 1.00 75.53 C ATOM 435 CG LYS A 28 6.218 -7.757 -7.552 1.00 3.42 C ATOM 436 CD LYS A 28 6.787 -7.328 -8.894 1.00 35.32 C ATOM 437 CE LYS A 28 7.385 -8.507 -9.648 1.00 12.52 C ATOM 438 NZ LYS A 28 8.348 -9.272 -8.808 1.00 5.34 N ATOM 0 H LYS A 28 3.092 -8.872 -8.092 1.00 74.12 H new ATOM 0 HA LYS A 28 4.466 -8.282 -5.538 1.00 54.13 H new ATOM 0 HB2 LYS A 28 4.402 -6.843 -8.218 1.00 75.53 H new ATOM 0 HB3 LYS A 28 5.070 -6.134 -6.762 1.00 75.53 H new ATOM 0 HG2 LYS A 28 6.926 -7.513 -6.760 1.00 3.42 H new ATOM 0 HG3 LYS A 28 6.087 -8.839 -7.540 1.00 3.42 H new ATOM 0 HD2 LYS A 28 6.000 -6.872 -9.495 1.00 35.32 H new ATOM 0 HD3 LYS A 28 7.552 -6.567 -8.740 1.00 35.32 H new ATOM 0 HE2 LYS A 28 6.585 -9.170 -9.979 1.00 12.52 H new ATOM 0 HE3 LYS A 28 7.891 -8.146 -10.544 1.00 12.52 H new ATOM 0 HZ1 LYS A 28 9.006 -9.794 -9.422 1.00 5.34 H new ATOM 0 HZ2 LYS A 28 8.884 -8.614 -8.207 1.00 5.34 H new ATOM 0 HZ3 LYS A 28 7.828 -9.944 -8.208 1.00 5.34 H new ATOM 452 N TYR A 29 2.942 -6.341 -4.880 1.00 50.14 N ATOM 453 CA TYR A 29 1.889 -5.488 -4.342 1.00 14.52 C ATOM 454 C TYR A 29 1.478 -4.425 -5.356 1.00 3.32 C ATOM 455 O TYR A 29 2.317 -3.876 -6.072 1.00 63.14 O ATOM 456 CB TYR A 29 2.356 -4.820 -3.048 1.00 31.11 C ATOM 457 CG TYR A 29 2.085 -5.644 -1.809 1.00 10.05 C ATOM 458 CD1 TYR A 29 0.789 -5.832 -1.347 1.00 64.41 C ATOM 459 CD2 TYR A 29 3.125 -6.232 -1.100 1.00 23.24 C ATOM 460 CE1 TYR A 29 0.536 -6.584 -0.216 1.00 61.03 C ATOM 461 CE2 TYR A 29 2.882 -6.986 0.031 1.00 20.22 C ATOM 462 CZ TYR A 29 1.586 -7.159 0.469 1.00 42.41 C ATOM 463 OH TYR A 29 1.339 -7.908 1.597 1.00 53.22 O ATOM 0 H TYR A 29 3.815 -6.315 -4.354 1.00 50.14 H new ATOM 0 HA TYR A 29 1.023 -6.115 -4.128 1.00 14.52 H new ATOM 0 HB2 TYR A 29 3.426 -4.623 -3.116 1.00 31.11 H new ATOM 0 HB3 TYR A 29 1.860 -3.855 -2.948 1.00 31.11 H new ATOM 0 HD1 TYR A 29 -0.035 -5.383 -1.881 1.00 64.41 H new ATOM 0 HD2 TYR A 29 4.141 -6.097 -1.439 1.00 23.24 H new ATOM 0 HE1 TYR A 29 -0.478 -6.721 0.130 1.00 61.03 H new ATOM 0 HE2 TYR A 29 3.702 -7.438 0.569 1.00 20.22 H new ATOM 0 HH TYR A 29 0.482 -8.373 1.499 1.00 53.22 H new ATOM 473 N ARG A 30 0.181 -4.139 -5.411 1.00 31.41 N ATOM 474 CA ARG A 30 -0.343 -3.142 -6.337 1.00 21.12 C ATOM 475 C ARG A 30 -1.631 -2.525 -5.800 1.00 62.13 C ATOM 476 O ARG A 30 -2.176 -2.978 -4.793 1.00 61.13 O ATOM 477 CB ARG A 30 -0.600 -3.774 -7.707 1.00 44.24 C ATOM 478 CG ARG A 30 0.666 -4.028 -8.508 1.00 35.21 C ATOM 479 CD ARG A 30 0.374 -4.129 -9.997 1.00 61.02 C ATOM 480 NE ARG A 30 1.587 -4.348 -10.779 1.00 12.22 N ATOM 481 CZ ARG A 30 1.581 -4.747 -12.047 1.00 55.01 C ATOM 482 NH1 ARG A 30 0.433 -4.968 -12.670 1.00 32.22 N ATOM 483 NH2 ARG A 30 2.727 -4.924 -12.692 1.00 70.32 N ATOM 0 H ARG A 30 -0.526 -4.584 -4.825 1.00 31.41 H new ATOM 0 HA ARG A 30 0.401 -2.353 -6.442 1.00 21.12 H new ATOM 0 HB2 ARG A 30 -1.128 -4.718 -7.569 1.00 44.24 H new ATOM 0 HB3 ARG A 30 -1.258 -3.122 -8.281 1.00 44.24 H new ATOM 0 HG2 ARG A 30 1.378 -3.222 -8.330 1.00 35.21 H new ATOM 0 HG3 ARG A 30 1.136 -4.950 -8.165 1.00 35.21 H new ATOM 0 HD2 ARG A 30 -0.324 -4.947 -10.175 1.00 61.02 H new ATOM 0 HD3 ARG A 30 -0.114 -3.214 -10.334 1.00 61.02 H new ATOM 0 HE ARG A 30 2.488 -4.186 -10.328 1.00 12.22 H new ATOM 0 HH11 ARG A 30 -0.449 -4.832 -12.177 1.00 32.22 H new ATOM 0 HH12 ARG A 30 0.431 -5.274 -13.643 1.00 32.22 H new ATOM 0 HH21 ARG A 30 3.612 -4.754 -12.215 1.00 70.32 H new ATOM 0 HH22 ARG A 30 2.723 -5.230 -13.665 1.00 70.32 H new ATOM 497 N LEU A 31 -2.112 -1.490 -6.479 1.00 52.32 N ATOM 498 CA LEU A 31 -3.336 -0.809 -6.069 1.00 3.05 C ATOM 499 C LEU A 31 -4.454 -1.812 -5.804 1.00 11.43 C ATOM 500 O LEU A 31 -5.297 -1.603 -4.932 1.00 2.34 O ATOM 501 CB LEU A 31 -3.772 0.187 -7.145 1.00 3.43 C ATOM 502 CG LEU A 31 -4.172 1.578 -6.649 1.00 34.14 C ATOM 503 CD1 LEU A 31 -2.979 2.283 -6.022 1.00 42.24 C ATOM 504 CD2 LEU A 31 -4.743 2.407 -7.791 1.00 52.32 C ATOM 0 H LEU A 31 -1.674 -1.104 -7.315 1.00 52.32 H new ATOM 0 HA LEU A 31 -3.131 -0.269 -5.144 1.00 3.05 H new ATOM 0 HB2 LEU A 31 -2.957 0.299 -7.860 1.00 3.43 H new ATOM 0 HB3 LEU A 31 -4.616 -0.240 -7.687 1.00 3.43 H new ATOM 0 HG LEU A 31 -4.943 1.464 -5.887 1.00 34.14 H new ATOM 0 HD11 LEU A 31 -3.281 3.271 -5.675 1.00 42.24 H new ATOM 0 HD12 LEU A 31 -2.613 1.698 -5.178 1.00 42.24 H new ATOM 0 HD13 LEU A 31 -2.186 2.386 -6.763 1.00 42.24 H new ATOM 0 HD21 LEU A 31 -5.022 3.393 -7.420 1.00 52.32 H new ATOM 0 HD22 LEU A 31 -3.993 2.513 -8.574 1.00 52.32 H new ATOM 0 HD23 LEU A 31 -5.624 1.909 -8.197 1.00 52.32 H new ATOM 516 N LYS A 32 -4.455 -2.904 -6.562 1.00 55.33 N ATOM 517 CA LYS A 32 -5.466 -3.942 -6.408 1.00 34.04 C ATOM 518 C LYS A 32 -5.553 -4.406 -4.957 1.00 0.04 C ATOM 519 O LYS A 32 -6.645 -4.599 -4.422 1.00 33.21 O ATOM 520 CB LYS A 32 -5.148 -5.131 -7.317 1.00 34.41 C ATOM 521 CG LYS A 32 -5.706 -4.989 -8.723 1.00 13.12 C ATOM 522 CD LYS A 32 -4.606 -4.704 -9.732 1.00 54.01 C ATOM 523 CE LYS A 32 -5.168 -4.110 -11.015 1.00 31.11 C ATOM 524 NZ LYS A 32 -4.120 -3.964 -12.064 1.00 42.12 N ATOM 0 H LYS A 32 -3.766 -3.092 -7.290 1.00 55.33 H new ATOM 0 HA LYS A 32 -6.430 -3.521 -6.695 1.00 34.04 H new ATOM 0 HB2 LYS A 32 -4.067 -5.254 -7.375 1.00 34.41 H new ATOM 0 HB3 LYS A 32 -5.548 -6.039 -6.866 1.00 34.41 H new ATOM 0 HG2 LYS A 32 -6.229 -5.904 -9.002 1.00 13.12 H new ATOM 0 HG3 LYS A 32 -6.439 -4.183 -8.745 1.00 13.12 H new ATOM 0 HD2 LYS A 32 -3.882 -4.015 -9.297 1.00 54.01 H new ATOM 0 HD3 LYS A 32 -4.072 -5.626 -9.960 1.00 54.01 H new ATOM 0 HE2 LYS A 32 -5.970 -4.746 -11.389 1.00 31.11 H new ATOM 0 HE3 LYS A 32 -5.607 -3.135 -10.802 1.00 31.11 H new ATOM 0 HZ1 LYS A 32 -4.542 -3.556 -12.922 1.00 42.12 H new ATOM 0 HZ2 LYS A 32 -3.367 -3.337 -11.717 1.00 42.12 H new ATOM 0 HZ3 LYS A 32 -3.718 -4.897 -12.286 1.00 42.12 H new ATOM 538 N HIS A 33 -4.396 -4.582 -4.327 1.00 60.14 N ATOM 539 CA HIS A 33 -4.342 -5.022 -2.937 1.00 33.21 C ATOM 540 C HIS A 33 -4.685 -3.874 -1.992 1.00 42.22 C ATOM 541 O HIS A 33 -5.235 -4.162 -0.928 1.00 73.24 O ATOM 542 CB HIS A 33 -2.954 -5.572 -2.607 1.00 33.02 C ATOM 543 CG HIS A 33 -2.468 -6.598 -3.585 1.00 44.54 C ATOM 544 ND1 HIS A 33 -1.416 -6.377 -4.447 1.00 63.32 N ATOM 545 CD2 HIS A 33 -2.898 -7.857 -3.832 1.00 22.34 C ATOM 546 CE1 HIS A 33 -1.220 -7.457 -5.183 1.00 2.42 C ATOM 547 NE2 HIS A 33 -2.107 -8.370 -4.829 1.00 15.15 N ATOM 0 H HIS A 33 -3.484 -4.427 -4.756 1.00 60.14 H new ATOM 0 HA HIS A 33 -5.079 -5.814 -2.803 1.00 33.21 H new ATOM 0 HB2 HIS A 33 -2.243 -4.746 -2.576 1.00 33.02 H new ATOM 0 HB3 HIS A 33 -2.974 -6.013 -1.610 1.00 33.02 H new ATOM 0 HD2 HIS A 33 -3.713 -8.364 -3.336 1.00 22.34 H new ATOM 0 HE1 HIS A 33 -0.463 -7.574 -5.945 1.00 2.42 H new ATOM 0 HE2 HIS A 33 -2.190 -9.304 -5.231 1.00 15.15 H new ATOM 555 N ILE A 34 -4.385 -2.626 -2.337 1.00 62.42 N ATOM 556 CA ILE A 34 -4.695 -1.499 -1.466 1.00 10.33 C ATOM 557 C ILE A 34 -6.190 -1.203 -1.460 1.00 4.24 C ATOM 558 O ILE A 34 -6.798 -1.040 -0.402 1.00 12.43 O ATOM 559 CB ILE A 34 -3.934 -0.230 -1.897 1.00 73.21 C ATOM 560 CG1 ILE A 34 -2.479 -0.570 -2.229 1.00 62.13 C ATOM 561 CG2 ILE A 34 -4.001 0.824 -0.803 1.00 15.51 C ATOM 562 CD1 ILE A 34 -1.631 0.643 -2.539 1.00 3.22 C ATOM 0 H ILE A 34 -3.928 -2.370 -3.212 1.00 62.42 H new ATOM 0 HA ILE A 34 -4.379 -1.780 -0.461 1.00 10.33 H new ATOM 0 HB ILE A 34 -4.407 0.173 -2.793 1.00 73.21 H new ATOM 0 HG12 ILE A 34 -2.039 -1.106 -1.388 1.00 62.13 H new ATOM 0 HG13 ILE A 34 -2.458 -1.246 -3.084 1.00 62.13 H new ATOM 0 HG21 ILE A 34 -3.459 1.714 -1.122 1.00 15.51 H new ATOM 0 HG22 ILE A 34 -5.042 1.083 -0.610 1.00 15.51 H new ATOM 0 HG23 ILE A 34 -3.550 0.432 0.108 1.00 15.51 H new ATOM 0 HD11 ILE A 34 -0.613 0.327 -2.765 1.00 3.22 H new ATOM 0 HD12 ILE A 34 -2.047 1.168 -3.399 1.00 3.22 H new ATOM 0 HD13 ILE A 34 -1.621 1.310 -1.677 1.00 3.22 H new ATOM 574 N VAL A 35 -6.780 -1.136 -2.650 1.00 63.23 N ATOM 575 CA VAL A 35 -8.206 -0.863 -2.782 1.00 4.13 C ATOM 576 C VAL A 35 -9.031 -1.818 -1.926 1.00 34.00 C ATOM 577 O VAL A 35 -9.860 -1.389 -1.124 1.00 53.54 O ATOM 578 CB VAL A 35 -8.666 -0.979 -4.248 1.00 2.32 C ATOM 579 CG1 VAL A 35 -10.166 -0.748 -4.356 1.00 22.31 C ATOM 580 CG2 VAL A 35 -7.903 0.003 -5.124 1.00 24.24 C ATOM 0 H VAL A 35 -6.292 -1.267 -3.536 1.00 63.23 H new ATOM 0 HA VAL A 35 -8.365 0.159 -2.438 1.00 4.13 H new ATOM 0 HB VAL A 35 -8.451 -1.988 -4.600 1.00 2.32 H new ATOM 0 HG11 VAL A 35 -10.473 -0.834 -5.398 1.00 22.31 H new ATOM 0 HG12 VAL A 35 -10.693 -1.493 -3.760 1.00 22.31 H new ATOM 0 HG13 VAL A 35 -10.408 0.249 -3.987 1.00 22.31 H new ATOM 0 HG21 VAL A 35 -8.240 -0.092 -6.156 1.00 24.24 H new ATOM 0 HG22 VAL A 35 -8.085 1.019 -4.775 1.00 24.24 H new ATOM 0 HG23 VAL A 35 -6.836 -0.214 -5.069 1.00 24.24 H new ATOM 590 N TRP A 36 -8.795 -3.113 -2.100 1.00 25.04 N ATOM 591 CA TRP A 36 -9.516 -4.129 -1.343 1.00 71.44 C ATOM 592 C TRP A 36 -9.271 -3.969 0.154 1.00 12.24 C ATOM 593 O TRP A 36 -10.178 -4.156 0.964 1.00 3.44 O ATOM 594 CB TRP A 36 -9.092 -5.528 -1.794 1.00 54.44 C ATOM 595 CG TRP A 36 -9.857 -6.627 -1.122 1.00 43.32 C ATOM 596 CD1 TRP A 36 -11.043 -7.169 -1.530 1.00 52.20 C ATOM 597 CD2 TRP A 36 -9.493 -7.315 0.080 1.00 33.25 C ATOM 598 NE1 TRP A 36 -11.436 -8.153 -0.656 1.00 51.03 N ATOM 599 CE2 TRP A 36 -10.502 -8.264 0.340 1.00 52.50 C ATOM 600 CE3 TRP A 36 -8.410 -7.226 0.959 1.00 13.02 C ATOM 601 CZ2 TRP A 36 -10.459 -9.112 1.442 1.00 61.02 C ATOM 602 CZ3 TRP A 36 -8.370 -8.068 2.053 1.00 53.22 C ATOM 603 CH2 TRP A 36 -9.387 -9.002 2.287 1.00 5.41 C ATOM 0 H TRP A 36 -8.110 -3.484 -2.758 1.00 25.04 H new ATOM 0 HA TRP A 36 -10.581 -4.000 -1.534 1.00 71.44 H new ATOM 0 HB2 TRP A 36 -9.225 -5.610 -2.873 1.00 54.44 H new ATOM 0 HB3 TRP A 36 -8.029 -5.660 -1.593 1.00 54.44 H new ATOM 0 HD1 TRP A 36 -11.591 -6.868 -2.411 1.00 52.20 H new ATOM 0 HE1 TRP A 36 -12.286 -8.711 -0.736 1.00 51.03 H new ATOM 0 HE3 TRP A 36 -7.619 -6.512 0.786 1.00 13.02 H new ATOM 0 HZ2 TRP A 36 -11.243 -9.832 1.625 1.00 61.02 H new ATOM 0 HZ3 TRP A 36 -7.539 -8.005 2.740 1.00 53.22 H new ATOM 0 HH2 TRP A 36 -9.325 -9.648 3.150 1.00 5.41 H new ATOM 614 N ALA A 37 -8.041 -3.620 0.514 1.00 33.14 N ATOM 615 CA ALA A 37 -7.677 -3.432 1.913 1.00 2.23 C ATOM 616 C ALA A 37 -8.469 -2.287 2.536 1.00 20.23 C ATOM 617 O ALA A 37 -9.147 -2.467 3.546 1.00 1.22 O ATOM 618 CB ALA A 37 -6.184 -3.174 2.040 1.00 33.11 C ATOM 0 H ALA A 37 -7.278 -3.461 -0.145 1.00 33.14 H new ATOM 0 HA ALA A 37 -7.923 -4.346 2.453 1.00 2.23 H new ATOM 0 HB1 ALA A 37 -5.927 -3.035 3.090 1.00 33.11 H new ATOM 0 HB2 ALA A 37 -5.632 -4.025 1.640 1.00 33.11 H new ATOM 0 HB3 ALA A 37 -5.921 -2.276 1.481 1.00 33.11 H new ATOM 624 N ALA A 38 -8.377 -1.110 1.925 1.00 54.15 N ATOM 625 CA ALA A 38 -9.085 0.064 2.421 1.00 3.14 C ATOM 626 C ALA A 38 -10.588 -0.190 2.489 1.00 53.35 C ATOM 627 O ALA A 38 -11.229 0.094 3.500 1.00 73.31 O ATOM 628 CB ALA A 38 -8.791 1.268 1.539 1.00 2.44 C ATOM 0 H ALA A 38 -7.820 -0.944 1.087 1.00 54.15 H new ATOM 0 HA ALA A 38 -8.732 0.272 3.431 1.00 3.14 H new ATOM 0 HB1 ALA A 38 -9.326 2.138 1.920 1.00 2.44 H new ATOM 0 HB2 ALA A 38 -7.720 1.470 1.544 1.00 2.44 H new ATOM 0 HB3 ALA A 38 -9.116 1.060 0.520 1.00 2.44 H new ATOM 634 N ASN A 39 -11.143 -0.725 1.406 1.00 53.54 N ATOM 635 CA ASN A 39 -12.570 -1.016 1.344 1.00 21.13 C ATOM 636 C ASN A 39 -13.010 -1.846 2.547 1.00 1.54 C ATOM 637 O ASN A 39 -14.111 -1.668 3.068 1.00 72.30 O ATOM 638 CB ASN A 39 -12.904 -1.758 0.049 1.00 23.23 C ATOM 639 CG ASN A 39 -13.829 -0.962 -0.853 1.00 72.44 C ATOM 640 OD1 ASN A 39 -13.400 -0.030 -1.533 1.00 75.30 O ATOM 641 ND2 ASN A 39 -15.105 -1.327 -0.861 1.00 13.10 N ATOM 0 H ASN A 39 -10.626 -0.965 0.560 1.00 53.54 H new ATOM 0 HA ASN A 39 -13.109 -0.069 1.362 1.00 21.13 H new ATOM 0 HB2 ASN A 39 -11.981 -1.980 -0.487 1.00 23.23 H new ATOM 0 HB3 ASN A 39 -13.370 -2.713 0.291 1.00 23.23 H new ATOM 0 HD21 ASN A 39 -15.774 -0.828 -1.447 1.00 13.10 H new ATOM 0 HD22 ASN A 39 -15.416 -2.106 -0.281 1.00 13.10 H new ATOM 648 N LYS A 40 -12.141 -2.751 2.982 1.00 72.23 N ATOM 649 CA LYS A 40 -12.436 -3.608 4.125 1.00 25.33 C ATOM 650 C LYS A 40 -12.445 -2.803 5.420 1.00 74.41 C ATOM 651 O LYS A 40 -13.246 -3.062 6.319 1.00 2.12 O ATOM 652 CB LYS A 40 -11.410 -4.739 4.219 1.00 53.13 C ATOM 653 CG LYS A 40 -11.772 -5.960 3.393 1.00 63.42 C ATOM 654 CD LYS A 40 -12.614 -6.943 4.191 1.00 25.34 C ATOM 655 CE LYS A 40 -13.556 -7.728 3.291 1.00 31.33 C ATOM 656 NZ LYS A 40 -14.194 -8.864 4.012 1.00 40.31 N ATOM 0 H LYS A 40 -11.226 -2.911 2.561 1.00 72.23 H new ATOM 0 HA LYS A 40 -13.427 -4.038 3.980 1.00 25.33 H new ATOM 0 HB2 LYS A 40 -10.439 -4.365 3.893 1.00 53.13 H new ATOM 0 HB3 LYS A 40 -11.303 -5.035 5.262 1.00 53.13 H new ATOM 0 HG2 LYS A 40 -12.319 -5.649 2.503 1.00 63.42 H new ATOM 0 HG3 LYS A 40 -10.862 -6.453 3.052 1.00 63.42 H new ATOM 0 HD2 LYS A 40 -11.961 -7.633 4.726 1.00 25.34 H new ATOM 0 HD3 LYS A 40 -13.191 -6.404 4.942 1.00 25.34 H new ATOM 0 HE2 LYS A 40 -14.329 -7.063 2.906 1.00 31.33 H new ATOM 0 HE3 LYS A 40 -13.004 -8.108 2.431 1.00 31.33 H new ATOM 0 HZ1 LYS A 40 -14.828 -9.374 3.364 1.00 40.31 H new ATOM 0 HZ2 LYS A 40 -13.458 -9.513 4.358 1.00 40.31 H new ATOM 0 HZ3 LYS A 40 -14.742 -8.500 4.818 1.00 40.31 H new ATOM 670 N LEU A 41 -11.549 -1.827 5.510 1.00 13.23 N ATOM 671 CA LEU A 41 -11.453 -0.982 6.696 1.00 25.51 C ATOM 672 C LEU A 41 -12.743 -0.196 6.910 1.00 31.21 C ATOM 673 O LEU A 41 -13.358 -0.272 7.974 1.00 11.21 O ATOM 674 CB LEU A 41 -10.271 -0.020 6.567 1.00 43.05 C ATOM 675 CG LEU A 41 -8.889 -0.666 6.461 1.00 14.43 C ATOM 676 CD1 LEU A 41 -7.815 0.398 6.292 1.00 22.54 C ATOM 677 CD2 LEU A 41 -8.604 -1.523 7.686 1.00 20.42 C ATOM 0 H LEU A 41 -10.878 -1.601 4.776 1.00 13.23 H new ATOM 0 HA LEU A 41 -11.295 -1.627 7.560 1.00 25.51 H new ATOM 0 HB2 LEU A 41 -10.428 0.601 5.685 1.00 43.05 H new ATOM 0 HB3 LEU A 41 -10.274 0.645 7.430 1.00 43.05 H new ATOM 0 HG LEU A 41 -8.877 -1.310 5.582 1.00 14.43 H new ATOM 0 HD11 LEU A 41 -6.838 -0.080 6.218 1.00 22.54 H new ATOM 0 HD12 LEU A 41 -8.009 0.970 5.384 1.00 22.54 H new ATOM 0 HD13 LEU A 41 -7.828 1.067 7.152 1.00 22.54 H new ATOM 0 HD21 LEU A 41 -7.616 -1.974 7.592 1.00 20.42 H new ATOM 0 HD22 LEU A 41 -8.635 -0.901 8.581 1.00 20.42 H new ATOM 0 HD23 LEU A 41 -9.356 -2.308 7.764 1.00 20.42 H new ATOM 689 N ASP A 42 -13.147 0.555 5.892 1.00 52.23 N ATOM 690 CA ASP A 42 -14.365 1.354 5.968 1.00 23.11 C ATOM 691 C ASP A 42 -15.540 0.506 6.447 1.00 14.51 C ATOM 692 O ASP A 42 -16.269 0.898 7.358 1.00 42.24 O ATOM 693 CB ASP A 42 -14.684 1.966 4.603 1.00 22.15 C ATOM 694 CG ASP A 42 -16.028 2.667 4.582 1.00 73.24 C ATOM 695 OD1 ASP A 42 -16.184 3.673 5.306 1.00 52.31 O ATOM 696 OD2 ASP A 42 -16.924 2.209 3.843 1.00 52.54 O ATOM 0 H ASP A 42 -12.649 0.628 5.005 1.00 52.23 H new ATOM 0 HA ASP A 42 -14.201 2.156 6.687 1.00 23.11 H new ATOM 0 HB2 ASP A 42 -13.902 2.677 4.335 1.00 22.15 H new ATOM 0 HB3 ASP A 42 -14.675 1.182 3.846 1.00 22.15 H new ATOM 701 N ARG A 43 -15.719 -0.654 5.825 1.00 35.11 N ATOM 702 CA ARG A 43 -16.807 -1.555 6.185 1.00 50.33 C ATOM 703 C ARG A 43 -16.629 -2.080 7.607 1.00 32.10 C ATOM 704 O ARG A 43 -17.522 -1.949 8.444 1.00 61.24 O ATOM 705 CB ARG A 43 -16.875 -2.725 5.204 1.00 21.42 C ATOM 706 CG ARG A 43 -18.271 -3.307 5.045 1.00 43.15 C ATOM 707 CD ARG A 43 -18.334 -4.296 3.893 1.00 24.41 C ATOM 708 NE ARG A 43 -19.709 -4.655 3.555 1.00 1.21 N ATOM 709 CZ ARG A 43 -20.029 -5.548 2.625 1.00 34.43 C ATOM 710 NH1 ARG A 43 -19.076 -6.172 1.945 1.00 2.24 N ATOM 711 NH2 ARG A 43 -21.302 -5.820 2.374 1.00 24.33 N ATOM 0 H ARG A 43 -15.124 -0.992 5.069 1.00 35.11 H new ATOM 0 HA ARG A 43 -17.741 -0.994 6.136 1.00 50.33 H new ATOM 0 HB2 ARG A 43 -16.516 -2.393 4.230 1.00 21.42 H new ATOM 0 HB3 ARG A 43 -16.199 -3.511 5.542 1.00 21.42 H new ATOM 0 HG2 ARG A 43 -18.567 -3.804 5.969 1.00 43.15 H new ATOM 0 HG3 ARG A 43 -18.985 -2.501 4.874 1.00 43.15 H new ATOM 0 HD2 ARG A 43 -17.846 -3.865 3.018 1.00 24.41 H new ATOM 0 HD3 ARG A 43 -17.779 -5.196 4.157 1.00 24.41 H new ATOM 0 HE ARG A 43 -20.465 -4.194 4.061 1.00 1.21 H new ATOM 0 HH11 ARG A 43 -18.095 -5.966 2.136 1.00 2.24 H new ATOM 0 HH12 ARG A 43 -19.324 -6.857 1.231 1.00 2.24 H new ATOM 0 HH21 ARG A 43 -22.038 -5.343 2.895 1.00 24.33 H new ATOM 0 HH22 ARG A 43 -21.546 -6.506 1.660 1.00 24.33 H new ATOM 725 N PHE A 44 -15.470 -2.674 7.872 1.00 51.43 N ATOM 726 CA PHE A 44 -15.176 -3.220 9.192 1.00 54.21 C ATOM 727 C PHE A 44 -15.470 -2.195 10.284 1.00 3.13 C ATOM 728 O PHE A 44 -16.114 -2.506 11.285 1.00 1.45 O ATOM 729 CB PHE A 44 -13.711 -3.658 9.271 1.00 3.41 C ATOM 730 CG PHE A 44 -13.492 -5.092 8.879 1.00 44.42 C ATOM 731 CD1 PHE A 44 -14.214 -6.107 9.486 1.00 3.40 C ATOM 732 CD2 PHE A 44 -12.567 -5.423 7.903 1.00 53.24 C ATOM 733 CE1 PHE A 44 -14.014 -7.427 9.128 1.00 44.51 C ATOM 734 CE2 PHE A 44 -12.363 -6.742 7.541 1.00 11.41 C ATOM 735 CZ PHE A 44 -13.088 -7.744 8.154 1.00 22.44 C ATOM 0 H PHE A 44 -14.720 -2.789 7.191 1.00 51.43 H new ATOM 0 HA PHE A 44 -15.818 -4.087 9.349 1.00 54.21 H new ATOM 0 HB2 PHE A 44 -13.113 -3.017 8.623 1.00 3.41 H new ATOM 0 HB3 PHE A 44 -13.350 -3.509 10.288 1.00 3.41 H new ATOM 0 HD1 PHE A 44 -14.941 -5.864 10.247 1.00 3.40 H new ATOM 0 HD2 PHE A 44 -11.999 -4.642 7.419 1.00 53.24 H new ATOM 0 HE1 PHE A 44 -14.581 -8.210 9.610 1.00 44.51 H new ATOM 0 HE2 PHE A 44 -11.637 -6.988 6.780 1.00 11.41 H new ATOM 0 HZ PHE A 44 -12.931 -8.775 7.872 1.00 22.44 H new ATOM 745 N GLY A 45 -14.994 -0.970 10.082 1.00 13.41 N ATOM 746 CA GLY A 45 -15.216 0.082 11.055 1.00 54.34 C ATOM 747 C GLY A 45 -14.038 1.031 11.162 1.00 12.51 C ATOM 748 O GLY A 45 -14.113 2.051 11.849 1.00 51.43 O ATOM 0 H GLY A 45 -14.458 -0.688 9.261 1.00 13.41 H new ATOM 0 HA2 GLY A 45 -16.108 0.645 10.780 1.00 54.34 H new ATOM 0 HA3 GLY A 45 -15.409 -0.364 12.031 1.00 54.34 H new ATOM 752 N LEU A 46 -12.948 0.697 10.481 1.00 13.13 N ATOM 753 CA LEU A 46 -11.748 1.527 10.503 1.00 21.21 C ATOM 754 C LEU A 46 -11.750 2.518 9.343 1.00 34.41 C ATOM 755 O LEU A 46 -12.492 2.354 8.375 1.00 45.10 O ATOM 756 CB LEU A 46 -10.496 0.650 10.437 1.00 12.33 C ATOM 757 CG LEU A 46 -10.259 -0.272 11.633 1.00 44.24 C ATOM 758 CD1 LEU A 46 -9.996 -1.695 11.167 1.00 31.10 C ATOM 759 CD2 LEU A 46 -9.100 0.237 12.477 1.00 41.42 C ATOM 0 H LEU A 46 -12.870 -0.142 9.907 1.00 13.13 H new ATOM 0 HA LEU A 46 -11.742 2.089 11.437 1.00 21.21 H new ATOM 0 HB2 LEU A 46 -10.553 0.037 9.537 1.00 12.33 H new ATOM 0 HB3 LEU A 46 -9.627 1.299 10.326 1.00 12.33 H new ATOM 0 HG LEU A 46 -11.158 -0.274 12.249 1.00 44.24 H new ATOM 0 HD11 LEU A 46 -9.830 -2.336 12.032 1.00 31.10 H new ATOM 0 HD12 LEU A 46 -10.857 -2.059 10.606 1.00 31.10 H new ATOM 0 HD13 LEU A 46 -9.113 -1.711 10.528 1.00 31.10 H new ATOM 0 HD21 LEU A 46 -8.946 -0.432 13.324 1.00 41.42 H new ATOM 0 HD22 LEU A 46 -8.195 0.269 11.870 1.00 41.42 H new ATOM 0 HD23 LEU A 46 -9.328 1.238 12.842 1.00 41.42 H new ATOM 771 N ALA A 47 -10.912 3.545 9.447 1.00 24.22 N ATOM 772 CA ALA A 47 -10.815 4.560 8.405 1.00 22.32 C ATOM 773 C ALA A 47 -9.786 4.167 7.350 1.00 70.31 C ATOM 774 O ALA A 47 -9.071 3.178 7.507 1.00 62.31 O ATOM 775 CB ALA A 47 -10.461 5.909 9.013 1.00 72.31 C ATOM 0 H ALA A 47 -10.291 3.696 10.242 1.00 24.22 H new ATOM 0 HA ALA A 47 -11.786 4.638 7.917 1.00 22.32 H new ATOM 0 HB1 ALA A 47 -10.392 6.657 8.223 1.00 72.31 H new ATOM 0 HB2 ALA A 47 -11.234 6.202 9.724 1.00 72.31 H new ATOM 0 HB3 ALA A 47 -9.503 5.836 9.528 1.00 72.31 H new ATOM 781 N GLU A 48 -9.718 4.947 6.276 1.00 41.03 N ATOM 782 CA GLU A 48 -8.776 4.678 5.196 1.00 63.32 C ATOM 783 C GLU A 48 -7.621 5.674 5.221 1.00 74.01 C ATOM 784 O GLU A 48 -6.533 5.392 4.716 1.00 4.32 O ATOM 785 CB GLU A 48 -9.487 4.740 3.843 1.00 4.13 C ATOM 786 CG GLU A 48 -10.319 5.997 3.649 1.00 24.43 C ATOM 787 CD GLU A 48 -9.969 6.737 2.373 1.00 24.24 C ATOM 788 OE1 GLU A 48 -9.852 6.079 1.318 1.00 24.04 O ATOM 789 OE2 GLU A 48 -9.812 7.975 2.429 1.00 21.22 O ATOM 0 H GLU A 48 -10.303 5.770 6.131 1.00 41.03 H new ATOM 0 HA GLU A 48 -8.372 3.676 5.341 1.00 63.32 H new ATOM 0 HB2 GLU A 48 -8.743 4.681 3.048 1.00 4.13 H new ATOM 0 HB3 GLU A 48 -10.133 3.868 3.741 1.00 4.13 H new ATOM 0 HG2 GLU A 48 -11.376 5.730 3.631 1.00 24.43 H new ATOM 0 HG3 GLU A 48 -10.172 6.660 4.501 1.00 24.43 H new ATOM 796 N SER A 49 -7.864 6.839 5.813 1.00 15.25 N ATOM 797 CA SER A 49 -6.845 7.879 5.900 1.00 72.12 C ATOM 798 C SER A 49 -5.691 7.435 6.794 1.00 60.10 C ATOM 799 O SER A 49 -4.638 8.074 6.832 1.00 1.24 O ATOM 800 CB SER A 49 -7.454 9.174 6.439 1.00 13.52 C ATOM 801 OG SER A 49 -8.748 9.392 5.903 1.00 53.24 O ATOM 0 H SER A 49 -8.757 7.086 6.239 1.00 15.25 H new ATOM 0 HA SER A 49 -6.456 8.058 4.897 1.00 72.12 H new ATOM 0 HB2 SER A 49 -7.511 9.128 7.527 1.00 13.52 H new ATOM 0 HB3 SER A 49 -6.807 10.015 6.189 1.00 13.52 H new ATOM 0 HG SER A 49 -9.116 10.225 6.265 1.00 53.24 H new ATOM 807 N LEU A 50 -5.896 6.337 7.512 1.00 52.25 N ATOM 808 CA LEU A 50 -4.874 5.805 8.407 1.00 42.43 C ATOM 809 C LEU A 50 -3.934 4.864 7.663 1.00 32.23 C ATOM 810 O LEU A 50 -3.123 4.166 8.274 1.00 64.22 O ATOM 811 CB LEU A 50 -5.527 5.072 9.581 1.00 35.34 C ATOM 812 CG LEU A 50 -6.407 5.921 10.497 1.00 73.14 C ATOM 813 CD1 LEU A 50 -6.922 5.090 11.663 1.00 31.31 C ATOM 814 CD2 LEU A 50 -5.637 7.132 11.003 1.00 43.54 C ATOM 0 H LEU A 50 -6.761 5.797 7.492 1.00 52.25 H new ATOM 0 HA LEU A 50 -4.290 6.642 8.790 1.00 42.43 H new ATOM 0 HB2 LEU A 50 -6.132 4.257 9.183 1.00 35.34 H new ATOM 0 HB3 LEU A 50 -4.740 4.620 10.184 1.00 35.34 H new ATOM 0 HG LEU A 50 -7.263 6.273 9.922 1.00 73.14 H new ATOM 0 HD11 LEU A 50 -7.547 5.711 12.305 1.00 31.31 H new ATOM 0 HD12 LEU A 50 -7.510 4.255 11.283 1.00 31.31 H new ATOM 0 HD13 LEU A 50 -6.079 4.708 12.238 1.00 31.31 H new ATOM 0 HD21 LEU A 50 -6.279 7.725 11.654 1.00 43.54 H new ATOM 0 HD22 LEU A 50 -4.762 6.799 11.562 1.00 43.54 H new ATOM 0 HD23 LEU A 50 -5.318 7.740 10.156 1.00 43.54 H new ATOM 826 N LEU A 51 -4.046 4.849 6.339 1.00 41.42 N ATOM 827 CA LEU A 51 -3.204 3.994 5.509 1.00 24.05 C ATOM 828 C LEU A 51 -2.030 4.779 4.934 1.00 3.12 C ATOM 829 O LEU A 51 -1.204 4.232 4.205 1.00 21.14 O ATOM 830 CB LEU A 51 -4.029 3.381 4.375 1.00 15.30 C ATOM 831 CG LEU A 51 -4.766 2.084 4.707 1.00 21.41 C ATOM 832 CD1 LEU A 51 -5.887 1.837 3.709 1.00 41.12 C ATOM 833 CD2 LEU A 51 -3.799 0.909 4.725 1.00 41.21 C ATOM 0 H LEU A 51 -4.712 5.419 5.817 1.00 41.42 H new ATOM 0 HA LEU A 51 -2.809 3.195 6.136 1.00 24.05 H new ATOM 0 HB2 LEU A 51 -4.762 4.118 4.046 1.00 15.30 H new ATOM 0 HB3 LEU A 51 -3.366 3.193 3.531 1.00 15.30 H new ATOM 0 HG LEU A 51 -5.205 2.183 5.700 1.00 21.41 H new ATOM 0 HD11 LEU A 51 -6.401 0.909 3.961 1.00 41.12 H new ATOM 0 HD12 LEU A 51 -6.595 2.665 3.745 1.00 41.12 H new ATOM 0 HD13 LEU A 51 -5.470 1.759 2.705 1.00 41.12 H new ATOM 0 HD21 LEU A 51 -4.342 -0.006 4.963 1.00 41.21 H new ATOM 0 HD22 LEU A 51 -3.331 0.808 3.746 1.00 41.21 H new ATOM 0 HD23 LEU A 51 -3.031 1.082 5.479 1.00 41.21 H new ATOM 845 N GLU A 52 -1.964 6.063 5.268 1.00 52.50 N ATOM 846 CA GLU A 52 -0.889 6.924 4.785 1.00 23.41 C ATOM 847 C GLU A 52 -0.051 7.452 5.946 1.00 1.12 C ATOM 848 O GLU A 52 0.462 8.569 5.896 1.00 50.54 O ATOM 849 CB GLU A 52 -1.464 8.093 3.982 1.00 53.12 C ATOM 850 CG GLU A 52 -2.657 8.758 4.646 1.00 1.30 C ATOM 851 CD GLU A 52 -2.780 10.226 4.287 1.00 4.45 C ATOM 852 OE1 GLU A 52 -1.735 10.902 4.183 1.00 25.13 O ATOM 853 OE2 GLU A 52 -3.922 10.700 4.109 1.00 45.05 O ATOM 0 H GLU A 52 -2.641 6.531 5.871 1.00 52.50 H new ATOM 0 HA GLU A 52 -0.245 6.330 4.137 1.00 23.41 H new ATOM 0 HB2 GLU A 52 -0.682 8.837 3.829 1.00 53.12 H new ATOM 0 HB3 GLU A 52 -1.760 7.735 2.996 1.00 53.12 H new ATOM 0 HG2 GLU A 52 -3.569 8.238 4.352 1.00 1.30 H new ATOM 0 HG3 GLU A 52 -2.568 8.658 5.728 1.00 1.30 H new ATOM 860 N SER A 53 0.080 6.641 6.990 1.00 70.41 N ATOM 861 CA SER A 53 0.851 7.027 8.166 1.00 72.03 C ATOM 862 C SER A 53 1.053 5.836 9.099 1.00 53.21 C ATOM 863 O SER A 53 0.107 5.120 9.425 1.00 44.40 O ATOM 864 CB SER A 53 0.148 8.161 8.913 1.00 62.55 C ATOM 865 OG SER A 53 -0.530 7.674 10.059 1.00 74.20 O ATOM 0 H SER A 53 -0.338 5.712 7.046 1.00 70.41 H new ATOM 0 HA SER A 53 1.829 7.373 7.831 1.00 72.03 H new ATOM 0 HB2 SER A 53 0.879 8.912 9.211 1.00 62.55 H new ATOM 0 HB3 SER A 53 -0.562 8.653 8.248 1.00 62.55 H new ATOM 0 HG SER A 53 -0.970 8.419 10.520 1.00 74.20 H new ATOM 871 N LYS A 54 2.295 5.631 9.525 1.00 62.43 N ATOM 872 CA LYS A 54 2.623 4.528 10.422 1.00 13.54 C ATOM 873 C LYS A 54 1.703 4.523 11.637 1.00 22.40 C ATOM 874 O LYS A 54 1.180 3.479 12.025 1.00 52.04 O ATOM 875 CB LYS A 54 4.082 4.629 10.873 1.00 11.52 C ATOM 876 CG LYS A 54 4.478 6.016 11.348 1.00 2.40 C ATOM 877 CD LYS A 54 5.937 6.067 11.770 1.00 23.10 C ATOM 878 CE LYS A 54 6.657 7.250 11.142 1.00 54.44 C ATOM 879 NZ LYS A 54 7.754 7.757 12.013 1.00 63.21 N ATOM 0 H LYS A 54 3.091 6.213 9.264 1.00 62.43 H new ATOM 0 HA LYS A 54 2.481 3.594 9.878 1.00 13.54 H new ATOM 0 HB2 LYS A 54 4.255 3.915 11.679 1.00 11.52 H new ATOM 0 HB3 LYS A 54 4.730 4.339 10.046 1.00 11.52 H new ATOM 0 HG2 LYS A 54 4.304 6.738 10.550 1.00 2.40 H new ATOM 0 HG3 LYS A 54 3.846 6.309 12.186 1.00 2.40 H new ATOM 0 HD2 LYS A 54 6.001 6.136 12.856 1.00 23.10 H new ATOM 0 HD3 LYS A 54 6.434 5.141 11.479 1.00 23.10 H new ATOM 0 HE2 LYS A 54 7.067 6.955 10.176 1.00 54.44 H new ATOM 0 HE3 LYS A 54 5.943 8.052 10.954 1.00 54.44 H new ATOM 0 HZ1 LYS A 54 8.220 8.563 11.550 1.00 63.21 H new ATOM 0 HZ2 LYS A 54 7.360 8.063 12.926 1.00 63.21 H new ATOM 0 HZ3 LYS A 54 8.449 7.000 12.172 1.00 63.21 H new ATOM 893 N GLU A 55 1.510 5.696 12.233 1.00 63.12 N ATOM 894 CA GLU A 55 0.651 5.824 13.404 1.00 45.31 C ATOM 895 C GLU A 55 -0.756 5.315 13.107 1.00 24.05 C ATOM 896 O GLU A 55 -1.388 4.676 13.946 1.00 3.01 O ATOM 897 CB GLU A 55 0.591 7.282 13.863 1.00 12.14 C ATOM 898 CG GLU A 55 0.309 7.442 15.348 1.00 1.52 C ATOM 899 CD GLU A 55 1.524 7.153 16.207 1.00 42.32 C ATOM 900 OE1 GLU A 55 1.811 5.962 16.445 1.00 62.25 O ATOM 901 OE2 GLU A 55 2.187 8.118 16.641 1.00 72.15 O ATOM 0 H GLU A 55 1.936 6.570 11.924 1.00 63.12 H new ATOM 0 HA GLU A 55 1.077 5.216 14.202 1.00 45.31 H new ATOM 0 HB2 GLU A 55 1.538 7.767 13.627 1.00 12.14 H new ATOM 0 HB3 GLU A 55 -0.183 7.801 13.297 1.00 12.14 H new ATOM 0 HG2 GLU A 55 -0.034 8.458 15.541 1.00 1.52 H new ATOM 0 HG3 GLU A 55 -0.501 6.772 15.634 1.00 1.52 H new ATOM 908 N GLY A 56 -1.242 5.605 11.902 1.00 50.13 N ATOM 909 CA GLY A 56 -2.570 5.170 11.514 1.00 44.41 C ATOM 910 C GLY A 56 -2.683 3.662 11.421 1.00 22.41 C ATOM 911 O GLY A 56 -3.577 3.061 12.019 1.00 45.12 O ATOM 0 H GLY A 56 -0.739 6.133 11.189 1.00 50.13 H new ATOM 0 HA2 GLY A 56 -3.296 5.542 12.237 1.00 44.41 H new ATOM 0 HA3 GLY A 56 -2.826 5.610 10.550 1.00 44.41 H new ATOM 915 N CYS A 57 -1.777 3.047 10.669 1.00 54.31 N ATOM 916 CA CYS A 57 -1.780 1.599 10.497 1.00 44.41 C ATOM 917 C CYS A 57 -1.598 0.893 11.837 1.00 4.33 C ATOM 918 O CYS A 57 -2.124 -0.199 12.050 1.00 23.13 O ATOM 919 CB CYS A 57 -0.673 1.177 9.530 1.00 60.23 C ATOM 920 SG CYS A 57 -1.256 0.806 7.858 1.00 55.24 S ATOM 0 H CYS A 57 -1.030 3.529 10.168 1.00 54.31 H new ATOM 0 HA CYS A 57 -2.745 1.309 10.081 1.00 44.41 H new ATOM 0 HB2 CYS A 57 0.070 1.972 9.476 1.00 60.23 H new ATOM 0 HB3 CYS A 57 -0.170 0.297 9.932 1.00 60.23 H new ATOM 0 HG CYS A 57 -1.033 1.827 7.084 1.00 55.24 H new ATOM 926 N GLN A 58 -0.849 1.524 12.736 1.00 32.54 N ATOM 927 CA GLN A 58 -0.596 0.953 14.053 1.00 51.45 C ATOM 928 C GLN A 58 -1.900 0.750 14.818 1.00 3.10 C ATOM 929 O GLN A 58 -2.106 -0.286 15.452 1.00 55.51 O ATOM 930 CB GLN A 58 0.342 1.860 14.854 1.00 2.03 C ATOM 931 CG GLN A 58 1.597 1.156 15.344 1.00 3.22 C ATOM 932 CD GLN A 58 1.457 0.632 16.759 1.00 2.14 C ATOM 933 OE1 GLN A 58 1.170 1.388 17.687 1.00 72.03 O ATOM 934 NE2 GLN A 58 1.658 -0.669 16.931 1.00 30.35 N ATOM 0 H GLN A 58 -0.408 2.430 12.576 1.00 32.54 H new ATOM 0 HA GLN A 58 -0.121 -0.018 13.915 1.00 51.45 H new ATOM 0 HB2 GLN A 58 0.630 2.709 14.234 1.00 2.03 H new ATOM 0 HB3 GLN A 58 -0.198 2.261 15.712 1.00 2.03 H new ATOM 0 HG2 GLN A 58 1.829 0.327 14.675 1.00 3.22 H new ATOM 0 HG3 GLN A 58 2.438 1.848 15.298 1.00 3.22 H new ATOM 0 HE21 GLN A 58 1.894 -1.258 16.133 1.00 30.35 H new ATOM 0 HE22 GLN A 58 1.576 -1.079 17.861 1.00 30.35 H new ATOM 943 N LYS A 59 -2.779 1.744 14.755 1.00 2.15 N ATOM 944 CA LYS A 59 -4.064 1.675 15.439 1.00 43.34 C ATOM 945 C LYS A 59 -4.972 0.637 14.789 1.00 61.32 C ATOM 946 O LYS A 59 -5.932 0.168 15.401 1.00 0.43 O ATOM 947 CB LYS A 59 -4.746 3.045 15.427 1.00 63.43 C ATOM 948 CG LYS A 59 -4.493 3.863 16.682 1.00 32.54 C ATOM 949 CD LYS A 59 -4.395 5.347 16.370 1.00 22.02 C ATOM 950 CE LYS A 59 -5.763 6.012 16.395 1.00 43.43 C ATOM 951 NZ LYS A 59 -5.746 7.285 17.168 1.00 70.05 N ATOM 0 H LYS A 59 -2.624 2.608 14.236 1.00 2.15 H new ATOM 0 HA LYS A 59 -3.882 1.376 16.471 1.00 43.34 H new ATOM 0 HB2 LYS A 59 -4.397 3.607 14.561 1.00 63.43 H new ATOM 0 HB3 LYS A 59 -5.820 2.905 15.305 1.00 63.43 H new ATOM 0 HG2 LYS A 59 -5.298 3.693 17.397 1.00 32.54 H new ATOM 0 HG3 LYS A 59 -3.570 3.528 17.156 1.00 32.54 H new ATOM 0 HD2 LYS A 59 -3.741 5.830 17.096 1.00 22.02 H new ATOM 0 HD3 LYS A 59 -3.940 5.485 15.389 1.00 22.02 H new ATOM 0 HE2 LYS A 59 -6.089 6.211 15.374 1.00 43.43 H new ATOM 0 HE3 LYS A 59 -6.491 5.330 16.834 1.00 43.43 H new ATOM 0 HZ1 LYS A 59 -6.696 7.708 17.162 1.00 70.05 H new ATOM 0 HZ2 LYS A 59 -5.460 7.092 18.149 1.00 70.05 H new ATOM 0 HZ3 LYS A 59 -5.070 7.946 16.734 1.00 70.05 H new ATOM 965 N ILE A 60 -4.662 0.282 13.547 1.00 71.32 N ATOM 966 CA ILE A 60 -5.450 -0.703 12.815 1.00 32.51 C ATOM 967 C ILE A 60 -4.960 -2.120 13.099 1.00 40.51 C ATOM 968 O ILE A 60 -5.759 -3.040 13.280 1.00 13.11 O ATOM 969 CB ILE A 60 -5.398 -0.449 11.297 1.00 65.32 C ATOM 970 CG1 ILE A 60 -5.910 0.956 10.975 1.00 44.24 C ATOM 971 CG2 ILE A 60 -6.215 -1.498 10.557 1.00 33.22 C ATOM 972 CD1 ILE A 60 -5.785 1.326 9.514 1.00 31.30 C ATOM 0 H ILE A 60 -3.871 0.661 13.026 1.00 71.32 H new ATOM 0 HA ILE A 60 -6.480 -0.601 13.157 1.00 32.51 H new ATOM 0 HB ILE A 60 -4.362 -0.522 10.966 1.00 65.32 H new ATOM 0 HG12 ILE A 60 -6.956 1.029 11.271 1.00 44.24 H new ATOM 0 HG13 ILE A 60 -5.358 1.681 11.573 1.00 44.24 H new ATOM 0 HG21 ILE A 60 -6.169 -1.306 9.485 1.00 33.22 H new ATOM 0 HG22 ILE A 60 -5.810 -2.488 10.766 1.00 33.22 H new ATOM 0 HG23 ILE A 60 -7.252 -1.453 10.889 1.00 33.22 H new ATOM 0 HD11 ILE A 60 -6.167 2.335 9.360 1.00 31.30 H new ATOM 0 HD12 ILE A 60 -4.737 1.286 9.217 1.00 31.30 H new ATOM 0 HD13 ILE A 60 -6.360 0.624 8.910 1.00 31.30 H new ATOM 984 N LEU A 61 -3.643 -2.287 13.140 1.00 21.22 N ATOM 985 CA LEU A 61 -3.045 -3.591 13.404 1.00 22.44 C ATOM 986 C LEU A 61 -3.446 -4.104 14.783 1.00 71.13 C ATOM 987 O LEU A 61 -3.578 -5.309 14.996 1.00 31.31 O ATOM 988 CB LEU A 61 -1.521 -3.506 13.301 1.00 4.11 C ATOM 989 CG LEU A 61 -0.946 -3.457 11.886 1.00 53.01 C ATOM 990 CD1 LEU A 61 0.571 -3.348 11.930 1.00 0.12 C ATOM 991 CD2 LEU A 61 -1.371 -4.684 11.093 1.00 60.23 C ATOM 0 H LEU A 61 -2.969 -1.536 12.994 1.00 21.22 H new ATOM 0 HA LEU A 61 -3.414 -4.291 12.655 1.00 22.44 H new ATOM 0 HB2 LEU A 61 -1.190 -2.617 13.837 1.00 4.11 H new ATOM 0 HB3 LEU A 61 -1.094 -4.366 13.816 1.00 4.11 H new ATOM 0 HG LEU A 61 -1.340 -2.572 11.386 1.00 53.01 H new ATOM 0 HD11 LEU A 61 0.963 -3.314 10.913 1.00 0.12 H new ATOM 0 HD12 LEU A 61 0.855 -2.438 12.459 1.00 0.12 H new ATOM 0 HD13 LEU A 61 0.983 -4.213 12.449 1.00 0.12 H new ATOM 0 HD21 LEU A 61 -0.952 -4.631 10.088 1.00 60.23 H new ATOM 0 HD22 LEU A 61 -1.007 -5.583 11.591 1.00 60.23 H new ATOM 0 HD23 LEU A 61 -2.459 -4.718 11.031 1.00 60.23 H new ATOM 1003 N THR A 62 -3.640 -3.180 15.719 1.00 3.32 N ATOM 1004 CA THR A 62 -4.027 -3.538 17.078 1.00 12.14 C ATOM 1005 C THR A 62 -5.405 -4.189 17.104 1.00 0.30 C ATOM 1006 O THR A 62 -5.674 -5.063 17.928 1.00 30.24 O ATOM 1007 CB THR A 62 -4.036 -2.306 18.003 1.00 20.12 C ATOM 1008 OG1 THR A 62 -3.873 -2.714 19.365 1.00 72.45 O ATOM 1009 CG2 THR A 62 -5.334 -1.526 17.853 1.00 74.14 C ATOM 0 H THR A 62 -3.535 -2.178 15.561 1.00 3.32 H new ATOM 0 HA THR A 62 -3.285 -4.250 17.440 1.00 12.14 H new ATOM 0 HB THR A 62 -3.207 -1.659 17.717 1.00 20.12 H new ATOM 0 HG1 THR A 62 -3.878 -1.925 19.946 1.00 72.45 H new ATOM 0 HG21 THR A 62 -5.317 -0.661 18.516 1.00 74.14 H new ATOM 0 HG22 THR A 62 -5.440 -1.191 16.821 1.00 74.14 H new ATOM 0 HG23 THR A 62 -6.176 -2.167 18.114 1.00 74.14 H new ATOM 1017 N VAL A 63 -6.275 -3.757 16.197 1.00 22.43 N ATOM 1018 CA VAL A 63 -7.626 -4.300 16.115 1.00 12.23 C ATOM 1019 C VAL A 63 -7.650 -5.598 15.315 1.00 51.31 C ATOM 1020 O VAL A 63 -8.437 -6.502 15.601 1.00 13.31 O ATOM 1021 CB VAL A 63 -8.597 -3.294 15.467 1.00 52.54 C ATOM 1022 CG1 VAL A 63 -9.989 -3.895 15.351 1.00 14.42 C ATOM 1023 CG2 VAL A 63 -8.630 -1.999 16.265 1.00 44.24 C ATOM 0 H VAL A 63 -6.069 -3.033 15.509 1.00 22.43 H new ATOM 0 HA VAL A 63 -7.949 -4.500 17.137 1.00 12.23 H new ATOM 0 HB VAL A 63 -8.242 -3.066 14.462 1.00 52.54 H new ATOM 0 HG11 VAL A 63 -10.661 -3.170 14.891 1.00 14.42 H new ATOM 0 HG12 VAL A 63 -9.947 -4.793 14.735 1.00 14.42 H new ATOM 0 HG13 VAL A 63 -10.358 -4.153 16.344 1.00 14.42 H new ATOM 0 HG21 VAL A 63 -9.320 -1.299 15.794 1.00 44.24 H new ATOM 0 HG22 VAL A 63 -8.961 -2.207 17.282 1.00 44.24 H new ATOM 0 HG23 VAL A 63 -7.632 -1.562 16.291 1.00 44.24 H new ATOM 1033 N LEU A 64 -6.782 -5.684 14.314 1.00 4.25 N ATOM 1034 CA LEU A 64 -6.701 -6.873 13.472 1.00 5.12 C ATOM 1035 C LEU A 64 -5.946 -7.992 14.181 1.00 25.43 C ATOM 1036 O LEU A 64 -6.172 -9.173 13.915 1.00 3.31 O ATOM 1037 CB LEU A 64 -6.014 -6.538 12.147 1.00 23.33 C ATOM 1038 CG LEU A 64 -6.793 -5.624 11.199 1.00 74.14 C ATOM 1039 CD1 LEU A 64 -6.036 -5.440 9.893 1.00 31.52 C ATOM 1040 CD2 LEU A 64 -8.183 -6.186 10.938 1.00 41.51 C ATOM 0 H LEU A 64 -6.124 -4.945 14.065 1.00 4.25 H new ATOM 0 HA LEU A 64 -7.716 -7.216 13.271 1.00 5.12 H new ATOM 0 HB2 LEU A 64 -5.055 -6.068 12.366 1.00 23.33 H new ATOM 0 HB3 LEU A 64 -5.800 -7.471 11.626 1.00 23.33 H new ATOM 0 HG LEU A 64 -6.901 -4.648 11.673 1.00 74.14 H new ATOM 0 HD11 LEU A 64 -6.605 -4.787 9.231 1.00 31.52 H new ATOM 0 HD12 LEU A 64 -5.063 -4.992 10.096 1.00 31.52 H new ATOM 0 HD13 LEU A 64 -5.896 -6.409 9.414 1.00 31.52 H new ATOM 0 HD21 LEU A 64 -8.723 -5.523 10.262 1.00 41.51 H new ATOM 0 HD22 LEU A 64 -8.097 -7.174 10.485 1.00 41.51 H new ATOM 0 HD23 LEU A 64 -8.726 -6.264 11.880 1.00 41.51 H new ATOM 1052 N ASP A 65 -5.050 -7.613 15.085 1.00 64.31 N ATOM 1053 CA ASP A 65 -4.263 -8.585 15.835 1.00 62.22 C ATOM 1054 C ASP A 65 -5.168 -9.609 16.514 1.00 70.33 C ATOM 1055 O ASP A 65 -5.100 -10.809 16.246 1.00 34.30 O ATOM 1056 CB ASP A 65 -3.400 -7.877 16.881 1.00 4.13 C ATOM 1057 CG ASP A 65 -1.942 -7.803 16.473 1.00 73.42 C ATOM 1058 OD1 ASP A 65 -1.659 -7.901 15.261 1.00 74.01 O ATOM 1059 OD2 ASP A 65 -1.083 -7.648 17.366 1.00 74.24 O ATOM 0 H ASP A 65 -4.850 -6.640 15.316 1.00 64.31 H new ATOM 0 HA ASP A 65 -3.614 -9.108 15.133 1.00 62.22 H new ATOM 0 HB2 ASP A 65 -3.781 -6.868 17.040 1.00 4.13 H new ATOM 0 HB3 ASP A 65 -3.482 -8.403 17.832 1.00 4.13 H new ATOM 1064 N PRO A 66 -6.036 -9.126 17.416 1.00 60.21 N ATOM 1065 CA PRO A 66 -6.970 -9.983 18.153 1.00 12.12 C ATOM 1066 C PRO A 66 -8.066 -10.550 17.257 1.00 31.34 C ATOM 1067 O PRO A 66 -8.729 -11.523 17.613 1.00 20.43 O ATOM 1068 CB PRO A 66 -7.569 -9.038 19.197 1.00 1.42 C ATOM 1069 CG PRO A 66 -7.435 -7.679 18.600 1.00 64.33 C ATOM 1070 CD PRO A 66 -6.172 -7.708 17.786 1.00 50.51 C ATOM 0 HA PRO A 66 -6.474 -10.854 18.581 1.00 12.12 H new ATOM 0 HB2 PRO A 66 -8.612 -9.281 19.398 1.00 1.42 H new ATOM 0 HB3 PRO A 66 -7.037 -9.108 20.146 1.00 1.42 H new ATOM 0 HG2 PRO A 66 -8.296 -7.440 17.976 1.00 64.33 H new ATOM 0 HG3 PRO A 66 -7.382 -6.915 19.376 1.00 64.33 H new ATOM 0 HD2 PRO A 66 -6.246 -7.069 16.906 1.00 50.51 H new ATOM 0 HD3 PRO A 66 -5.315 -7.359 18.362 1.00 50.51 H new ATOM 1078 N MET A 67 -8.250 -9.935 16.093 1.00 32.12 N ATOM 1079 CA MET A 67 -9.265 -10.380 15.145 1.00 72.44 C ATOM 1080 C MET A 67 -8.833 -11.668 14.451 1.00 74.24 C ATOM 1081 O MET A 67 -9.650 -12.365 13.850 1.00 11.14 O ATOM 1082 CB MET A 67 -9.535 -9.292 14.105 1.00 21.14 C ATOM 1083 CG MET A 67 -10.935 -8.706 14.187 1.00 12.14 C ATOM 1084 SD MET A 67 -11.017 -7.013 13.574 1.00 22.04 S ATOM 1085 CE MET A 67 -12.075 -6.257 14.806 1.00 73.42 C ATOM 0 H MET A 67 -7.709 -9.127 15.784 1.00 32.12 H new ATOM 0 HA MET A 67 -10.183 -10.577 15.699 1.00 72.44 H new ATOM 0 HB2 MET A 67 -8.807 -8.491 14.232 1.00 21.14 H new ATOM 0 HB3 MET A 67 -9.382 -9.707 13.109 1.00 21.14 H new ATOM 0 HG2 MET A 67 -11.620 -9.330 13.612 1.00 12.14 H new ATOM 0 HG3 MET A 67 -11.275 -8.730 15.222 1.00 12.14 H new ATOM 0 HE1 MET A 67 -12.322 -5.241 14.499 1.00 73.42 H new ATOM 0 HE2 MET A 67 -12.991 -6.839 14.905 1.00 73.42 H new ATOM 0 HE3 MET A 67 -11.556 -6.231 15.764 1.00 73.42 H new ATOM 1095 N VAL A 68 -7.543 -11.978 14.538 1.00 10.54 N ATOM 1096 CA VAL A 68 -7.003 -13.182 13.919 1.00 54.41 C ATOM 1097 C VAL A 68 -7.603 -14.437 14.542 1.00 21.21 C ATOM 1098 O VAL A 68 -8.236 -15.253 13.870 1.00 15.40 O ATOM 1099 CB VAL A 68 -5.469 -13.241 14.050 1.00 15.45 C ATOM 1100 CG1 VAL A 68 -4.988 -14.684 14.066 1.00 44.22 C ATOM 1101 CG2 VAL A 68 -4.808 -12.463 12.920 1.00 4.10 C ATOM 0 H VAL A 68 -6.853 -11.412 15.031 1.00 10.54 H new ATOM 0 HA VAL A 68 -7.269 -13.141 12.863 1.00 54.41 H new ATOM 0 HB VAL A 68 -5.185 -12.779 14.995 1.00 15.45 H new ATOM 0 HG11 VAL A 68 -3.902 -14.705 14.159 1.00 44.22 H new ATOM 0 HG12 VAL A 68 -5.435 -15.207 14.912 1.00 44.22 H new ATOM 0 HG13 VAL A 68 -5.282 -15.176 13.139 1.00 44.22 H new ATOM 0 HG21 VAL A 68 -3.725 -12.515 13.028 1.00 4.10 H new ATOM 0 HG22 VAL A 68 -5.099 -12.895 11.962 1.00 4.10 H new ATOM 0 HG23 VAL A 68 -5.127 -11.422 12.960 1.00 4.10 H new ATOM 1111 N PRO A 69 -7.402 -14.598 15.858 1.00 20.43 N ATOM 1112 CA PRO A 69 -7.916 -15.751 16.602 1.00 65.51 C ATOM 1113 C PRO A 69 -9.435 -15.724 16.738 1.00 25.05 C ATOM 1114 O PRO A 69 -10.041 -16.665 17.252 1.00 12.34 O ATOM 1115 CB PRO A 69 -7.254 -15.612 17.975 1.00 63.13 C ATOM 1116 CG PRO A 69 -6.964 -14.158 18.109 1.00 40.45 C ATOM 1117 CD PRO A 69 -6.658 -13.666 16.722 1.00 70.11 C ATOM 0 HA PRO A 69 -7.693 -16.692 16.099 1.00 65.51 H new ATOM 0 HB2 PRO A 69 -7.914 -15.959 18.770 1.00 63.13 H new ATOM 0 HB3 PRO A 69 -6.342 -16.205 18.037 1.00 63.13 H new ATOM 0 HG2 PRO A 69 -7.817 -13.627 18.532 1.00 40.45 H new ATOM 0 HG3 PRO A 69 -6.120 -13.989 18.778 1.00 40.45 H new ATOM 0 HD2 PRO A 69 -6.986 -12.636 16.579 1.00 70.11 H new ATOM 0 HD3 PRO A 69 -5.588 -13.691 16.513 1.00 70.11 H new ATOM 1125 N THR A 70 -10.046 -14.639 16.273 1.00 0.15 N ATOM 1126 CA THR A 70 -11.494 -14.488 16.343 1.00 3.02 C ATOM 1127 C THR A 70 -12.036 -13.796 15.096 1.00 62.43 C ATOM 1128 O THR A 70 -12.694 -12.761 15.186 1.00 4.50 O ATOM 1129 CB THR A 70 -11.916 -13.683 17.586 1.00 63.22 C ATOM 1130 OG1 THR A 70 -11.500 -12.319 17.451 1.00 64.02 O ATOM 1131 CG2 THR A 70 -11.311 -14.280 18.848 1.00 1.30 C ATOM 0 H THR A 70 -9.560 -13.852 15.844 1.00 0.15 H new ATOM 0 HA THR A 70 -11.913 -15.492 16.410 1.00 3.02 H new ATOM 0 HB THR A 70 -13.002 -13.725 17.667 1.00 63.22 H new ATOM 0 HG1 THR A 70 -11.913 -11.929 16.653 1.00 64.02 H new ATOM 0 HG21 THR A 70 -11.623 -13.695 19.713 1.00 1.30 H new ATOM 0 HG22 THR A 70 -11.652 -15.309 18.964 1.00 1.30 H new ATOM 0 HG23 THR A 70 -10.224 -14.265 18.773 1.00 1.30 H new ATOM 1139 N GLY A 71 -11.755 -14.376 13.933 1.00 71.21 N ATOM 1140 CA GLY A 71 -12.222 -13.802 12.686 1.00 21.35 C ATOM 1141 C GLY A 71 -12.468 -14.852 11.621 1.00 2.23 C ATOM 1142 O GLY A 71 -12.563 -16.042 11.922 1.00 14.33 O ATOM 0 H GLY A 71 -11.212 -15.234 13.833 1.00 71.21 H new ATOM 0 HA2 GLY A 71 -13.144 -13.249 12.867 1.00 21.35 H new ATOM 0 HA3 GLY A 71 -11.486 -13.085 12.322 1.00 21.35 H new ATOM 1146 N SER A 72 -12.574 -14.411 10.371 1.00 3.35 N ATOM 1147 CA SER A 72 -12.816 -15.321 9.257 1.00 61.13 C ATOM 1148 C SER A 72 -11.578 -15.440 8.374 1.00 31.34 C ATOM 1149 O SER A 72 -10.498 -14.976 8.737 1.00 31.31 O ATOM 1150 CB SER A 72 -14.006 -14.837 8.425 1.00 43.05 C ATOM 1151 OG SER A 72 -13.578 -14.011 7.356 1.00 34.21 O ATOM 0 H SER A 72 -12.496 -13.430 10.105 1.00 3.35 H new ATOM 0 HA SER A 72 -13.044 -16.305 9.667 1.00 61.13 H new ATOM 0 HB2 SER A 72 -14.551 -15.695 8.030 1.00 43.05 H new ATOM 0 HB3 SER A 72 -14.698 -14.285 9.061 1.00 43.05 H new ATOM 0 HG SER A 72 -14.356 -13.716 6.839 1.00 34.21 H new ATOM 1157 N GLU A 73 -11.746 -16.065 7.213 1.00 20.44 N ATOM 1158 CA GLU A 73 -10.642 -16.246 6.277 1.00 71.32 C ATOM 1159 C GLU A 73 -10.275 -14.927 5.606 1.00 5.54 C ATOM 1160 O GLU A 73 -9.108 -14.542 5.565 1.00 32.25 O ATOM 1161 CB GLU A 73 -11.007 -17.287 5.217 1.00 4.44 C ATOM 1162 CG GLU A 73 -9.820 -17.771 4.403 1.00 12.24 C ATOM 1163 CD GLU A 73 -9.827 -19.272 4.196 1.00 61.44 C ATOM 1164 OE1 GLU A 73 -10.695 -19.765 3.447 1.00 21.11 O ATOM 1165 OE2 GLU A 73 -8.963 -19.956 4.786 1.00 41.11 O ATOM 0 H GLU A 73 -12.635 -16.454 6.898 1.00 20.44 H new ATOM 0 HA GLU A 73 -9.778 -16.599 6.839 1.00 71.32 H new ATOM 0 HB2 GLU A 73 -11.474 -18.142 5.706 1.00 4.44 H new ATOM 0 HB3 GLU A 73 -11.749 -16.861 4.542 1.00 4.44 H new ATOM 0 HG2 GLU A 73 -9.823 -17.274 3.433 1.00 12.24 H new ATOM 0 HG3 GLU A 73 -8.897 -17.482 4.906 1.00 12.24 H new ATOM 1172 N ASN A 74 -11.283 -14.237 5.079 1.00 61.05 N ATOM 1173 CA ASN A 74 -11.067 -12.960 4.409 1.00 22.10 C ATOM 1174 C ASN A 74 -10.470 -11.936 5.368 1.00 14.12 C ATOM 1175 O ASN A 74 -9.907 -10.925 4.942 1.00 44.05 O ATOM 1176 CB ASN A 74 -12.385 -12.433 3.837 1.00 50.34 C ATOM 1177 CG ASN A 74 -12.714 -13.040 2.487 1.00 65.31 C ATOM 1178 OD1 ASN A 74 -13.561 -13.929 2.384 1.00 74.21 O ATOM 1179 ND2 ASN A 74 -12.046 -12.563 1.445 1.00 10.34 N ATOM 0 H ASN A 74 -12.256 -14.541 5.103 1.00 61.05 H new ATOM 0 HA ASN A 74 -10.362 -13.120 3.593 1.00 22.10 H new ATOM 0 HB2 ASN A 74 -13.193 -12.649 4.536 1.00 50.34 H new ATOM 0 HB3 ASN A 74 -12.328 -11.349 3.741 1.00 50.34 H new ATOM 0 HD21 ASN A 74 -12.225 -12.933 0.512 1.00 10.34 H new ATOM 0 HD22 ASN A 74 -11.353 -11.826 1.577 1.00 10.34 H new ATOM 1186 N LEU A 75 -10.593 -12.203 6.663 1.00 4.13 N ATOM 1187 CA LEU A 75 -10.064 -11.304 7.684 1.00 25.30 C ATOM 1188 C LEU A 75 -8.548 -11.427 7.784 1.00 71.52 C ATOM 1189 O LEU A 75 -7.841 -10.429 7.923 1.00 51.04 O ATOM 1190 CB LEU A 75 -10.704 -11.609 9.040 1.00 35.30 C ATOM 1191 CG LEU A 75 -10.133 -10.848 10.237 1.00 3.33 C ATOM 1192 CD1 LEU A 75 -11.254 -10.356 11.140 1.00 20.25 C ATOM 1193 CD2 LEU A 75 -9.164 -11.726 11.016 1.00 2.55 C ATOM 0 H LEU A 75 -11.054 -13.035 7.032 1.00 4.13 H new ATOM 0 HA LEU A 75 -10.308 -10.281 7.396 1.00 25.30 H new ATOM 0 HB2 LEU A 75 -11.770 -11.394 8.973 1.00 35.30 H new ATOM 0 HB3 LEU A 75 -10.606 -12.677 9.234 1.00 35.30 H new ATOM 0 HG LEU A 75 -9.586 -9.981 9.865 1.00 3.33 H new ATOM 0 HD11 LEU A 75 -10.829 -9.817 11.987 1.00 20.25 H new ATOM 0 HD12 LEU A 75 -11.909 -9.690 10.577 1.00 20.25 H new ATOM 0 HD13 LEU A 75 -11.828 -11.208 11.504 1.00 20.25 H new ATOM 0 HD21 LEU A 75 -8.768 -11.167 11.864 1.00 2.55 H new ATOM 0 HD22 LEU A 75 -9.686 -12.612 11.377 1.00 2.55 H new ATOM 0 HD23 LEU A 75 -8.343 -12.028 10.365 1.00 2.55 H new ATOM 1205 N LYS A 76 -8.053 -12.658 7.709 1.00 31.03 N ATOM 1206 CA LYS A 76 -6.619 -12.913 7.788 1.00 2.14 C ATOM 1207 C LYS A 76 -5.884 -12.246 6.629 1.00 74.40 C ATOM 1208 O LYS A 76 -4.678 -12.011 6.700 1.00 71.33 O ATOM 1209 CB LYS A 76 -6.347 -14.418 7.780 1.00 71.14 C ATOM 1210 CG LYS A 76 -6.673 -15.102 9.096 1.00 63.04 C ATOM 1211 CD LYS A 76 -6.375 -16.591 9.041 1.00 21.24 C ATOM 1212 CE LYS A 76 -6.526 -17.241 10.408 1.00 14.24 C ATOM 1213 NZ LYS A 76 -5.220 -17.726 10.938 1.00 25.02 N ATOM 0 H LYS A 76 -8.624 -13.495 7.594 1.00 31.03 H new ATOM 0 HA LYS A 76 -6.250 -12.489 8.722 1.00 2.14 H new ATOM 0 HB2 LYS A 76 -6.932 -14.880 6.985 1.00 71.14 H new ATOM 0 HB3 LYS A 76 -5.297 -14.588 7.542 1.00 71.14 H new ATOM 0 HG2 LYS A 76 -6.094 -14.644 9.898 1.00 63.04 H new ATOM 0 HG3 LYS A 76 -7.725 -14.950 9.335 1.00 63.04 H new ATOM 0 HD2 LYS A 76 -7.049 -17.072 8.332 1.00 21.24 H new ATOM 0 HD3 LYS A 76 -5.361 -16.747 8.673 1.00 21.24 H new ATOM 0 HE2 LYS A 76 -6.958 -16.523 11.106 1.00 14.24 H new ATOM 0 HE3 LYS A 76 -7.223 -18.076 10.338 1.00 14.24 H new ATOM 0 HZ1 LYS A 76 -5.364 -18.162 11.871 1.00 25.02 H new ATOM 0 HZ2 LYS A 76 -4.820 -18.429 10.285 1.00 25.02 H new ATOM 0 HZ3 LYS A 76 -4.563 -16.925 11.029 1.00 25.02 H new ATOM 1227 N SER A 77 -6.619 -11.944 5.563 1.00 53.14 N ATOM 1228 CA SER A 77 -6.035 -11.307 4.389 1.00 21.25 C ATOM 1229 C SER A 77 -5.786 -9.823 4.643 1.00 31.34 C ATOM 1230 O SER A 77 -4.760 -9.276 4.236 1.00 62.22 O ATOM 1231 CB SER A 77 -6.956 -11.481 3.178 1.00 54.31 C ATOM 1232 OG SER A 77 -6.420 -10.837 2.035 1.00 4.22 O ATOM 0 H SER A 77 -7.619 -12.130 5.489 1.00 53.14 H new ATOM 0 HA SER A 77 -5.079 -11.788 4.183 1.00 21.25 H new ATOM 0 HB2 SER A 77 -7.093 -12.542 2.971 1.00 54.31 H new ATOM 0 HB3 SER A 77 -7.940 -11.070 3.403 1.00 54.31 H new ATOM 0 HG SER A 77 -6.899 -9.996 1.879 1.00 4.22 H new ATOM 1238 N LEU A 78 -6.730 -9.179 5.318 1.00 53.43 N ATOM 1239 CA LEU A 78 -6.613 -7.757 5.628 1.00 24.21 C ATOM 1240 C LEU A 78 -5.498 -7.509 6.638 1.00 31.45 C ATOM 1241 O LEU A 78 -4.772 -6.519 6.546 1.00 64.24 O ATOM 1242 CB LEU A 78 -7.940 -7.224 6.175 1.00 73.55 C ATOM 1243 CG LEU A 78 -7.899 -5.825 6.787 1.00 13.42 C ATOM 1244 CD1 LEU A 78 -7.452 -4.803 5.752 1.00 74.32 C ATOM 1245 CD2 LEU A 78 -9.259 -5.450 7.355 1.00 5.42 C ATOM 0 H LEU A 78 -7.585 -9.617 5.662 1.00 53.43 H new ATOM 0 HA LEU A 78 -6.367 -7.229 4.707 1.00 24.21 H new ATOM 0 HB2 LEU A 78 -8.670 -7.223 5.365 1.00 73.55 H new ATOM 0 HB3 LEU A 78 -8.304 -7.919 6.932 1.00 73.55 H new ATOM 0 HG LEU A 78 -7.176 -5.828 7.602 1.00 13.42 H new ATOM 0 HD11 LEU A 78 -7.429 -3.812 6.206 1.00 74.32 H new ATOM 0 HD12 LEU A 78 -6.456 -5.061 5.392 1.00 74.32 H new ATOM 0 HD13 LEU A 78 -8.151 -4.803 4.916 1.00 74.32 H new ATOM 0 HD21 LEU A 78 -9.210 -4.450 7.787 1.00 5.42 H new ATOM 0 HD22 LEU A 78 -10.003 -5.465 6.558 1.00 5.42 H new ATOM 0 HD23 LEU A 78 -9.540 -6.165 8.128 1.00 5.42 H new ATOM 1257 N PHE A 79 -5.365 -8.417 7.600 1.00 20.03 N ATOM 1258 CA PHE A 79 -4.335 -8.298 8.626 1.00 62.55 C ATOM 1259 C PHE A 79 -2.942 -8.432 8.018 1.00 21.42 C ATOM 1260 O PHE A 79 -1.979 -7.851 8.514 1.00 14.41 O ATOM 1261 CB PHE A 79 -4.538 -9.363 9.707 1.00 12.11 C ATOM 1262 CG PHE A 79 -3.477 -9.346 10.770 1.00 33.34 C ATOM 1263 CD1 PHE A 79 -3.176 -8.176 11.449 1.00 13.14 C ATOM 1264 CD2 PHE A 79 -2.781 -10.500 11.090 1.00 60.52 C ATOM 1265 CE1 PHE A 79 -2.200 -8.157 12.428 1.00 3.13 C ATOM 1266 CE2 PHE A 79 -1.804 -10.488 12.069 1.00 4.32 C ATOM 1267 CZ PHE A 79 -1.513 -9.315 12.738 1.00 2.11 C ATOM 0 H PHE A 79 -5.957 -9.243 7.690 1.00 20.03 H new ATOM 0 HA PHE A 79 -4.420 -7.310 9.078 1.00 62.55 H new ATOM 0 HB2 PHE A 79 -5.512 -9.215 10.174 1.00 12.11 H new ATOM 0 HB3 PHE A 79 -4.556 -10.347 9.238 1.00 12.11 H new ATOM 0 HD1 PHE A 79 -3.710 -7.268 11.211 1.00 13.14 H new ATOM 0 HD2 PHE A 79 -3.004 -11.420 10.569 1.00 60.52 H new ATOM 0 HE1 PHE A 79 -1.975 -7.238 12.950 1.00 3.13 H new ATOM 0 HE2 PHE A 79 -1.269 -11.395 12.310 1.00 4.32 H new ATOM 0 HZ PHE A 79 -0.750 -9.303 13.502 1.00 2.11 H new ATOM 1277 N ASN A 80 -2.845 -9.205 6.941 1.00 3.45 N ATOM 1278 CA ASN A 80 -1.571 -9.416 6.265 1.00 20.14 C ATOM 1279 C ASN A 80 -1.177 -8.189 5.449 1.00 53.02 C ATOM 1280 O ASN A 80 0.005 -7.865 5.325 1.00 21.41 O ATOM 1281 CB ASN A 80 -1.651 -10.643 5.353 1.00 70.05 C ATOM 1282 CG ASN A 80 -1.464 -10.291 3.891 1.00 55.42 C ATOM 1283 OD1 ASN A 80 -0.367 -9.932 3.463 1.00 73.23 O ATOM 1284 ND2 ASN A 80 -2.538 -10.391 3.116 1.00 12.13 N ATOM 0 H ASN A 80 -3.633 -9.695 6.518 1.00 3.45 H new ATOM 0 HA ASN A 80 -0.809 -9.584 7.026 1.00 20.14 H new ATOM 0 HB2 ASN A 80 -0.889 -11.363 5.651 1.00 70.05 H new ATOM 0 HB3 ASN A 80 -2.618 -11.128 5.486 1.00 70.05 H new ATOM 0 HD21 ASN A 80 -2.473 -10.166 2.123 1.00 12.13 H new ATOM 0 HD22 ASN A 80 -3.428 -10.693 3.514 1.00 12.13 H new ATOM 1291 N THR A 81 -2.175 -7.507 4.894 1.00 70.44 N ATOM 1292 CA THR A 81 -1.933 -6.316 4.091 1.00 24.22 C ATOM 1293 C THR A 81 -1.465 -5.153 4.958 1.00 71.10 C ATOM 1294 O THR A 81 -0.430 -4.543 4.690 1.00 34.13 O ATOM 1295 CB THR A 81 -3.198 -5.892 3.321 1.00 50.14 C ATOM 1296 OG1 THR A 81 -3.659 -6.972 2.502 1.00 0.03 O ATOM 1297 CG2 THR A 81 -2.921 -4.673 2.453 1.00 73.32 C ATOM 0 H THR A 81 -3.159 -7.760 4.987 1.00 70.44 H new ATOM 0 HA THR A 81 -1.150 -6.570 3.377 1.00 24.22 H new ATOM 0 HB THR A 81 -3.968 -5.633 4.048 1.00 50.14 H new ATOM 0 HG1 THR A 81 -4.002 -7.692 3.072 1.00 0.03 H new ATOM 0 HG21 THR A 81 -3.829 -4.393 1.919 1.00 73.32 H new ATOM 0 HG22 THR A 81 -2.599 -3.843 3.083 1.00 73.32 H new ATOM 0 HG23 THR A 81 -2.136 -4.909 1.735 1.00 73.32 H new ATOM 1305 N VAL A 82 -2.234 -4.852 6.000 1.00 11.32 N ATOM 1306 CA VAL A 82 -1.896 -3.762 6.908 1.00 21.03 C ATOM 1307 C VAL A 82 -0.497 -3.942 7.486 1.00 4.25 C ATOM 1308 O VAL A 82 0.172 -2.968 7.834 1.00 10.22 O ATOM 1309 CB VAL A 82 -2.909 -3.662 8.064 1.00 52.04 C ATOM 1310 CG1 VAL A 82 -2.521 -2.542 9.018 1.00 21.11 C ATOM 1311 CG2 VAL A 82 -4.315 -3.451 7.525 1.00 13.00 C ATOM 0 H VAL A 82 -3.094 -5.347 6.236 1.00 11.32 H new ATOM 0 HA VAL A 82 -1.929 -2.842 6.325 1.00 21.03 H new ATOM 0 HB VAL A 82 -2.895 -4.601 8.618 1.00 52.04 H new ATOM 0 HG11 VAL A 82 -3.248 -2.486 9.828 1.00 21.11 H new ATOM 0 HG12 VAL A 82 -1.532 -2.742 9.431 1.00 21.11 H new ATOM 0 HG13 VAL A 82 -2.505 -1.595 8.479 1.00 21.11 H new ATOM 0 HG21 VAL A 82 -5.017 -3.383 8.356 1.00 13.00 H new ATOM 0 HG22 VAL A 82 -4.348 -2.528 6.946 1.00 13.00 H new ATOM 0 HG23 VAL A 82 -4.590 -4.290 6.886 1.00 13.00 H new ATOM 1321 N CYS A 83 -0.060 -5.192 7.586 1.00 23.34 N ATOM 1322 CA CYS A 83 1.261 -5.500 8.121 1.00 65.52 C ATOM 1323 C CYS A 83 2.358 -4.983 7.197 1.00 1.13 C ATOM 1324 O CYS A 83 3.451 -4.637 7.645 1.00 12.03 O ATOM 1325 CB CYS A 83 1.414 -7.009 8.320 1.00 31.02 C ATOM 1326 SG CYS A 83 0.841 -7.604 9.928 1.00 45.44 S ATOM 0 H CYS A 83 -0.601 -6.009 7.303 1.00 23.34 H new ATOM 0 HA CYS A 83 1.360 -5.001 9.085 1.00 65.52 H new ATOM 0 HB2 CYS A 83 0.861 -7.526 7.535 1.00 31.02 H new ATOM 0 HB3 CYS A 83 2.464 -7.276 8.199 1.00 31.02 H new ATOM 0 HG CYS A 83 -0.433 -7.857 9.868 1.00 45.44 H new ATOM 1332 N VAL A 84 2.058 -4.933 5.903 1.00 12.33 N ATOM 1333 CA VAL A 84 3.018 -4.458 4.913 1.00 73.04 C ATOM 1334 C VAL A 84 2.967 -2.939 4.783 1.00 33.34 C ATOM 1335 O VAL A 84 3.994 -2.290 4.584 1.00 53.53 O ATOM 1336 CB VAL A 84 2.761 -5.090 3.533 1.00 34.11 C ATOM 1337 CG1 VAL A 84 3.660 -4.458 2.480 1.00 44.24 C ATOM 1338 CG2 VAL A 84 2.969 -6.596 3.589 1.00 4.13 C ATOM 0 H VAL A 84 1.158 -5.216 5.516 1.00 12.33 H new ATOM 0 HA VAL A 84 4.007 -4.757 5.262 1.00 73.04 H new ATOM 0 HB VAL A 84 1.725 -4.900 3.253 1.00 34.11 H new ATOM 0 HG11 VAL A 84 3.464 -4.917 1.511 1.00 44.24 H new ATOM 0 HG12 VAL A 84 3.457 -3.389 2.422 1.00 44.24 H new ATOM 0 HG13 VAL A 84 4.704 -4.615 2.751 1.00 44.24 H new ATOM 0 HG21 VAL A 84 2.783 -7.026 2.605 1.00 4.13 H new ATOM 0 HG22 VAL A 84 3.994 -6.811 3.891 1.00 4.13 H new ATOM 0 HG23 VAL A 84 2.279 -7.032 4.312 1.00 4.13 H new ATOM 1348 N ILE A 85 1.767 -2.382 4.895 1.00 41.12 N ATOM 1349 CA ILE A 85 1.583 -0.939 4.792 1.00 31.33 C ATOM 1350 C ILE A 85 2.322 -0.208 5.908 1.00 24.54 C ATOM 1351 O ILE A 85 2.960 0.818 5.675 1.00 61.45 O ATOM 1352 CB ILE A 85 0.092 -0.557 4.842 1.00 54.40 C ATOM 1353 CG1 ILE A 85 -0.685 -1.304 3.756 1.00 45.13 C ATOM 1354 CG2 ILE A 85 -0.075 0.947 4.682 1.00 22.43 C ATOM 1355 CD1 ILE A 85 -0.384 -0.819 2.356 1.00 70.42 C ATOM 0 H ILE A 85 0.907 -2.907 5.057 1.00 41.12 H new ATOM 0 HA ILE A 85 1.995 -0.637 3.829 1.00 31.33 H new ATOM 0 HB ILE A 85 -0.310 -0.846 5.813 1.00 54.40 H new ATOM 0 HG12 ILE A 85 -0.453 -2.367 3.821 1.00 45.13 H new ATOM 0 HG13 ILE A 85 -1.753 -1.198 3.947 1.00 45.13 H new ATOM 0 HG21 ILE A 85 -1.134 1.201 4.719 1.00 22.43 H new ATOM 0 HG22 ILE A 85 0.450 1.459 5.488 1.00 22.43 H new ATOM 0 HG23 ILE A 85 0.339 1.259 3.723 1.00 22.43 H new ATOM 0 HD11 ILE A 85 -0.970 -1.393 1.638 1.00 70.42 H new ATOM 0 HD12 ILE A 85 -0.642 0.237 2.273 1.00 70.42 H new ATOM 0 HD13 ILE A 85 0.677 -0.950 2.146 1.00 70.42 H new ATOM 1367 N TRP A 86 2.231 -0.747 7.119 1.00 55.50 N ATOM 1368 CA TRP A 86 2.894 -0.146 8.272 1.00 1.32 C ATOM 1369 C TRP A 86 4.400 -0.062 8.052 1.00 41.12 C ATOM 1370 O TRP A 86 5.021 0.964 8.334 1.00 1.13 O ATOM 1371 CB TRP A 86 2.595 -0.954 9.536 1.00 64.50 C ATOM 1372 CG TRP A 86 3.163 -0.345 10.780 1.00 55.44 C ATOM 1373 CD1 TRP A 86 2.550 0.551 11.609 1.00 2.33 C ATOM 1374 CD2 TRP A 86 4.461 -0.584 11.336 1.00 51.24 C ATOM 1375 NE1 TRP A 86 3.388 0.884 12.646 1.00 32.33 N ATOM 1376 CE2 TRP A 86 4.566 0.200 12.502 1.00 72.41 C ATOM 1377 CE3 TRP A 86 5.544 -1.385 10.963 1.00 40.53 C ATOM 1378 CZ2 TRP A 86 5.711 0.205 13.295 1.00 22.34 C ATOM 1379 CZ3 TRP A 86 6.679 -1.379 11.751 1.00 14.31 C ATOM 1380 CH2 TRP A 86 6.756 -0.590 12.906 1.00 11.32 C ATOM 0 H TRP A 86 1.706 -1.596 7.328 1.00 55.50 H new ATOM 0 HA TRP A 86 2.507 0.866 8.395 1.00 1.32 H new ATOM 0 HB2 TRP A 86 1.515 -1.052 9.649 1.00 64.50 H new ATOM 0 HB3 TRP A 86 2.996 -1.961 9.418 1.00 64.50 H new ATOM 0 HD1 TRP A 86 1.552 0.941 11.470 1.00 2.33 H new ATOM 0 HE1 TRP A 86 3.169 1.535 13.400 1.00 32.33 H new ATOM 0 HE3 TRP A 86 5.495 -1.998 10.075 1.00 40.53 H new ATOM 0 HZ2 TRP A 86 5.773 0.814 14.185 1.00 22.34 H new ATOM 0 HZ3 TRP A 86 7.522 -1.994 11.471 1.00 14.31 H new ATOM 0 HH2 TRP A 86 7.657 -0.609 13.501 1.00 11.32 H new ATOM 1391 N CYS A 87 4.982 -1.145 7.549 1.00 42.21 N ATOM 1392 CA CYS A 87 6.417 -1.192 7.292 1.00 23.33 C ATOM 1393 C CYS A 87 6.854 -0.014 6.429 1.00 45.22 C ATOM 1394 O CYS A 87 7.750 0.744 6.803 1.00 62.43 O ATOM 1395 CB CYS A 87 6.789 -2.508 6.607 1.00 61.42 C ATOM 1396 SG CYS A 87 7.257 -3.828 7.749 1.00 73.41 S ATOM 0 H CYS A 87 4.483 -2.002 7.311 1.00 42.21 H new ATOM 0 HA CYS A 87 6.935 -1.129 8.249 1.00 23.33 H new ATOM 0 HB2 CYS A 87 5.944 -2.844 6.007 1.00 61.42 H new ATOM 0 HB3 CYS A 87 7.616 -2.327 5.920 1.00 61.42 H new ATOM 0 HG CYS A 87 7.552 -4.900 7.076 1.00 73.41 H new ATOM 1402 N ILE A 88 6.217 0.135 5.272 1.00 20.54 N ATOM 1403 CA ILE A 88 6.541 1.220 4.355 1.00 53.31 C ATOM 1404 C ILE A 88 6.584 2.560 5.083 1.00 62.33 C ATOM 1405 O ILE A 88 7.397 3.427 4.764 1.00 33.04 O ATOM 1406 CB ILE A 88 5.523 1.307 3.203 1.00 72.11 C ATOM 1407 CG1 ILE A 88 5.517 0.005 2.399 1.00 61.42 C ATOM 1408 CG2 ILE A 88 5.843 2.490 2.301 1.00 54.44 C ATOM 1409 CD1 ILE A 88 4.211 -0.257 1.683 1.00 64.24 C ATOM 0 H ILE A 88 5.473 -0.483 4.948 1.00 20.54 H new ATOM 0 HA ILE A 88 7.526 1.001 3.942 1.00 53.31 H new ATOM 0 HB ILE A 88 4.530 1.456 3.627 1.00 72.11 H new ATOM 0 HG12 ILE A 88 6.324 0.036 1.667 1.00 61.42 H new ATOM 0 HG13 ILE A 88 5.728 -0.828 3.070 1.00 61.42 H new ATOM 0 HG21 ILE A 88 5.115 2.538 1.492 1.00 54.44 H new ATOM 0 HG22 ILE A 88 5.802 3.412 2.881 1.00 54.44 H new ATOM 0 HG23 ILE A 88 6.842 2.369 1.883 1.00 54.44 H new ATOM 0 HD11 ILE A 88 4.279 -1.196 1.134 1.00 64.24 H new ATOM 0 HD12 ILE A 88 3.403 -0.321 2.412 1.00 64.24 H new ATOM 0 HD13 ILE A 88 4.008 0.557 0.987 1.00 64.24 H new ATOM 1421 N HIS A 89 5.703 2.722 6.066 1.00 24.43 N ATOM 1422 CA HIS A 89 5.640 3.955 6.842 1.00 51.13 C ATOM 1423 C HIS A 89 6.737 3.983 7.903 1.00 40.23 C ATOM 1424 O HIS A 89 7.214 5.080 8.193 1.00 75.01 O ATOM 1425 CB HIS A 89 4.269 4.096 7.505 1.00 52.34 C ATOM 1426 CG HIS A 89 3.130 4.083 6.534 1.00 53.50 C ATOM 1427 ND1 HIS A 89 3.154 4.768 5.336 1.00 73.51 N ATOM 1428 CD2 HIS A 89 1.927 3.465 6.587 1.00 52.00 C ATOM 1429 CE1 HIS A 89 2.016 4.569 4.696 1.00 45.33 C ATOM 1430 NE2 HIS A 89 1.254 3.782 5.433 1.00 62.31 N ATOM 0 H HIS A 89 5.023 2.014 6.344 1.00 24.43 H new ATOM 0 HA HIS A 89 5.793 4.793 6.162 1.00 51.13 H new ATOM 0 HB2 HIS A 89 4.135 3.284 8.220 1.00 52.34 H new ATOM 0 HB3 HIS A 89 4.242 5.027 8.071 1.00 52.34 H new ATOM 0 HD2 HIS A 89 1.564 2.839 7.388 1.00 52.00 H new ATOM 0 HE1 HIS A 89 1.753 4.980 3.733 1.00 45.33 H new ATOM 0 HE2 HIS A 89 0.318 3.462 5.185 1.00 62.31 H new ATOM 1438 N ALA A 90 7.133 2.848 8.470 1.00 12.33 N ATOM 1439 CA ALA A 90 8.178 2.826 9.486 1.00 50.50 C ATOM 1440 C ALA A 90 9.558 2.685 8.852 1.00 4.22 C ATOM 1441 O ALA A 90 10.540 2.408 9.539 1.00 31.25 O ATOM 1442 CB ALA A 90 7.930 1.696 10.473 1.00 74.21 C ATOM 0 H ALA A 90 6.746 1.932 8.243 1.00 12.33 H new ATOM 0 HA ALA A 90 8.149 3.775 10.022 1.00 50.50 H new ATOM 0 HB1 ALA A 90 8.718 1.691 11.226 1.00 74.21 H new ATOM 0 HB2 ALA A 90 6.965 1.842 10.958 1.00 74.21 H new ATOM 0 HB3 ALA A 90 7.929 0.744 9.943 1.00 74.21 H new ATOM 1448 N GLU A 91 9.622 2.878 7.538 1.00 35.23 N ATOM 1449 CA GLU A 91 10.882 2.769 6.811 1.00 53.04 C ATOM 1450 C GLU A 91 11.379 1.326 6.795 1.00 3.42 C ATOM 1451 O GLU A 91 12.506 1.052 6.386 1.00 13.34 O ATOM 1452 CB GLU A 91 11.941 3.676 7.444 1.00 42.35 C ATOM 1453 CG GLU A 91 13.063 4.056 6.493 1.00 2.41 C ATOM 1454 CD GLU A 91 13.034 5.525 6.114 1.00 31.10 C ATOM 1455 OE1 GLU A 91 13.081 6.374 7.029 1.00 30.33 O ATOM 1456 OE2 GLU A 91 12.964 5.825 4.904 1.00 20.30 O ATOM 0 H GLU A 91 8.817 3.110 6.956 1.00 35.23 H new ATOM 0 HA GLU A 91 10.707 3.087 5.783 1.00 53.04 H new ATOM 0 HB2 GLU A 91 11.460 4.584 7.806 1.00 42.35 H new ATOM 0 HB3 GLU A 91 12.367 3.173 8.312 1.00 42.35 H new ATOM 0 HG2 GLU A 91 14.022 3.823 6.956 1.00 2.41 H new ATOM 0 HG3 GLU A 91 12.990 3.450 5.590 1.00 2.41 H new ATOM 1463 N GLU A 92 10.527 0.409 7.243 1.00 1.24 N ATOM 1464 CA GLU A 92 10.880 -1.006 7.280 1.00 11.54 C ATOM 1465 C GLU A 92 10.832 -1.616 5.881 1.00 53.32 C ATOM 1466 O GLU A 92 9.854 -1.453 5.154 1.00 5.34 O ATOM 1467 CB GLU A 92 9.933 -1.766 8.211 1.00 43.30 C ATOM 1468 CG GLU A 92 10.131 -1.436 9.681 1.00 53.12 C ATOM 1469 CD GLU A 92 11.119 -2.366 10.360 1.00 3.41 C ATOM 1470 OE1 GLU A 92 12.238 -2.531 9.830 1.00 64.33 O ATOM 1471 OE2 GLU A 92 10.772 -2.926 11.420 1.00 72.33 O ATOM 0 H GLU A 92 9.589 0.620 7.585 1.00 1.24 H new ATOM 0 HA GLU A 92 11.898 -1.090 7.660 1.00 11.54 H new ATOM 0 HB2 GLU A 92 8.904 -1.540 7.932 1.00 43.30 H new ATOM 0 HB3 GLU A 92 10.075 -2.837 8.065 1.00 43.30 H new ATOM 0 HG2 GLU A 92 10.482 -0.408 9.775 1.00 53.12 H new ATOM 0 HG3 GLU A 92 9.171 -1.493 10.195 1.00 53.12 H new ATOM 1478 N LYS A 93 11.898 -2.318 5.513 1.00 14.55 N ATOM 1479 CA LYS A 93 11.981 -2.953 4.203 1.00 43.34 C ATOM 1480 C LYS A 93 11.856 -4.469 4.324 1.00 1.31 C ATOM 1481 O LYS A 93 12.536 -5.095 5.138 1.00 1.21 O ATOM 1482 CB LYS A 93 13.303 -2.593 3.521 1.00 64.40 C ATOM 1483 CG LYS A 93 14.529 -3.049 4.293 1.00 55.50 C ATOM 1484 CD LYS A 93 15.438 -1.880 4.634 1.00 74.13 C ATOM 1485 CE LYS A 93 16.402 -2.233 5.758 1.00 23.30 C ATOM 1486 NZ LYS A 93 16.325 -1.258 6.880 1.00 73.31 N ATOM 0 H LYS A 93 12.717 -2.462 6.104 1.00 14.55 H new ATOM 0 HA LYS A 93 11.154 -2.585 3.596 1.00 43.34 H new ATOM 0 HB2 LYS A 93 13.323 -3.040 2.527 1.00 64.40 H new ATOM 0 HB3 LYS A 93 13.350 -1.512 3.386 1.00 64.40 H new ATOM 0 HG2 LYS A 93 14.218 -3.549 5.210 1.00 55.50 H new ATOM 0 HG3 LYS A 93 15.081 -3.780 3.703 1.00 55.50 H new ATOM 0 HD2 LYS A 93 16.002 -1.586 3.749 1.00 74.13 H new ATOM 0 HD3 LYS A 93 14.834 -1.021 4.927 1.00 74.13 H new ATOM 0 HE2 LYS A 93 16.177 -3.233 6.129 1.00 23.30 H new ATOM 0 HE3 LYS A 93 17.420 -2.259 5.369 1.00 23.30 H new ATOM 0 HZ1 LYS A 93 16.996 -1.533 7.625 1.00 73.31 H new ATOM 0 HZ2 LYS A 93 16.565 -0.308 6.531 1.00 73.31 H new ATOM 0 HZ3 LYS A 93 15.360 -1.251 7.268 1.00 73.31 H new ATOM 1500 N VAL A 94 10.983 -5.052 3.510 1.00 22.31 N ATOM 1501 CA VAL A 94 10.770 -6.495 3.524 1.00 33.32 C ATOM 1502 C VAL A 94 10.801 -7.069 2.112 1.00 31.42 C ATOM 1503 O VAL A 94 10.183 -6.527 1.195 1.00 50.13 O ATOM 1504 CB VAL A 94 9.428 -6.858 4.185 1.00 4.13 C ATOM 1505 CG1 VAL A 94 9.469 -6.562 5.676 1.00 41.34 C ATOM 1506 CG2 VAL A 94 8.285 -6.108 3.516 1.00 30.23 C ATOM 0 H VAL A 94 10.411 -4.548 2.832 1.00 22.31 H new ATOM 0 HA VAL A 94 11.582 -6.929 4.107 1.00 33.32 H new ATOM 0 HB VAL A 94 9.257 -7.927 4.056 1.00 4.13 H new ATOM 0 HG11 VAL A 94 8.512 -6.825 6.126 1.00 41.34 H new ATOM 0 HG12 VAL A 94 10.262 -7.148 6.142 1.00 41.34 H new ATOM 0 HG13 VAL A 94 9.663 -5.501 5.831 1.00 41.34 H new ATOM 0 HG21 VAL A 94 7.344 -6.376 3.996 1.00 30.23 H new ATOM 0 HG22 VAL A 94 8.448 -5.035 3.612 1.00 30.23 H new ATOM 0 HG23 VAL A 94 8.243 -6.375 2.460 1.00 30.23 H new ATOM 1516 N LYS A 95 11.524 -8.170 1.943 1.00 71.33 N ATOM 1517 CA LYS A 95 11.636 -8.822 0.643 1.00 51.53 C ATOM 1518 C LYS A 95 10.295 -9.406 0.211 1.00 64.34 C ATOM 1519 O LYS A 95 9.837 -9.173 -0.908 1.00 64.33 O ATOM 1520 CB LYS A 95 12.694 -9.926 0.692 1.00 30.33 C ATOM 1521 CG LYS A 95 13.873 -9.679 -0.232 1.00 34.25 C ATOM 1522 CD LYS A 95 14.947 -8.842 0.444 1.00 21.13 C ATOM 1523 CE LYS A 95 15.840 -9.694 1.332 1.00 31.10 C ATOM 1524 NZ LYS A 95 16.695 -10.617 0.536 1.00 35.55 N ATOM 0 H LYS A 95 12.042 -8.631 2.691 1.00 71.33 H new ATOM 0 HA LYS A 95 11.938 -8.071 -0.088 1.00 51.53 H new ATOM 0 HB2 LYS A 95 13.059 -10.023 1.715 1.00 30.33 H new ATOM 0 HB3 LYS A 95 12.229 -10.876 0.428 1.00 30.33 H new ATOM 0 HG2 LYS A 95 14.297 -10.633 -0.545 1.00 34.25 H new ATOM 0 HG3 LYS A 95 13.530 -9.172 -1.134 1.00 34.25 H new ATOM 0 HD2 LYS A 95 15.553 -8.345 -0.313 1.00 21.13 H new ATOM 0 HD3 LYS A 95 14.478 -8.060 1.041 1.00 21.13 H new ATOM 0 HE2 LYS A 95 16.472 -9.046 1.939 1.00 31.10 H new ATOM 0 HE3 LYS A 95 15.223 -10.273 2.019 1.00 31.10 H new ATOM 0 HZ1 LYS A 95 17.504 -10.925 1.112 1.00 35.55 H new ATOM 0 HZ2 LYS A 95 16.138 -11.447 0.251 1.00 35.55 H new ATOM 0 HZ3 LYS A 95 17.041 -10.125 -0.312 1.00 35.55 H new ATOM 1538 N ASP A 96 9.670 -10.166 1.104 1.00 61.14 N ATOM 1539 CA ASP A 96 8.380 -10.782 0.817 1.00 22.23 C ATOM 1540 C ASP A 96 7.400 -10.553 1.963 1.00 10.01 C ATOM 1541 O ASP A 96 7.804 -10.325 3.104 1.00 32.32 O ATOM 1542 CB ASP A 96 8.552 -12.281 0.567 1.00 64.35 C ATOM 1543 CG ASP A 96 9.326 -12.967 1.675 1.00 33.04 C ATOM 1544 OD1 ASP A 96 8.918 -12.847 2.849 1.00 24.04 O ATOM 1545 OD2 ASP A 96 10.343 -13.626 1.367 1.00 44.44 O ATOM 0 H ASP A 96 10.037 -10.370 2.034 1.00 61.14 H new ATOM 0 HA ASP A 96 7.974 -10.316 -0.081 1.00 22.23 H new ATOM 0 HB2 ASP A 96 7.571 -12.746 0.472 1.00 64.35 H new ATOM 0 HB3 ASP A 96 9.069 -12.431 -0.381 1.00 64.35 H new ATOM 1550 N THR A 97 6.109 -10.612 1.652 1.00 22.53 N ATOM 1551 CA THR A 97 5.072 -10.408 2.655 1.00 23.44 C ATOM 1552 C THR A 97 5.283 -11.320 3.858 1.00 31.00 C ATOM 1553 O THR A 97 4.843 -11.013 4.965 1.00 63.14 O ATOM 1554 CB THR A 97 3.669 -10.665 2.071 1.00 65.43 C ATOM 1555 OG1 THR A 97 3.378 -9.703 1.053 1.00 12.03 O ATOM 1556 CG2 THR A 97 2.609 -10.595 3.160 1.00 42.44 C ATOM 0 H THR A 97 5.757 -10.799 0.713 1.00 22.53 H new ATOM 0 HA THR A 97 5.141 -9.368 2.974 1.00 23.44 H new ATOM 0 HB THR A 97 3.658 -11.665 1.638 1.00 65.43 H new ATOM 0 HG1 THR A 97 2.749 -9.038 1.402 1.00 12.03 H new ATOM 0 HG21 THR A 97 1.627 -10.779 2.724 1.00 42.44 H new ATOM 0 HG22 THR A 97 2.817 -11.349 3.919 1.00 42.44 H new ATOM 0 HG23 THR A 97 2.623 -9.606 3.618 1.00 42.44 H new ATOM 1564 N GLU A 98 5.962 -12.442 3.634 1.00 4.45 N ATOM 1565 CA GLU A 98 6.232 -13.397 4.701 1.00 61.35 C ATOM 1566 C GLU A 98 7.161 -12.792 5.750 1.00 24.11 C ATOM 1567 O GLU A 98 7.047 -13.087 6.940 1.00 25.24 O ATOM 1568 CB GLU A 98 6.853 -14.673 4.129 1.00 22.33 C ATOM 1569 CG GLU A 98 6.100 -15.938 4.504 1.00 13.11 C ATOM 1570 CD GLU A 98 4.629 -15.871 4.140 1.00 31.23 C ATOM 1571 OE1 GLU A 98 4.305 -16.063 2.949 1.00 11.24 O ATOM 1572 OE2 GLU A 98 3.804 -15.626 5.044 1.00 23.31 O ATOM 0 H GLU A 98 6.334 -12.711 2.723 1.00 4.45 H new ATOM 0 HA GLU A 98 5.285 -13.646 5.179 1.00 61.35 H new ATOM 0 HB2 GLU A 98 6.892 -14.592 3.043 1.00 22.33 H new ATOM 0 HB3 GLU A 98 7.882 -14.755 4.480 1.00 22.33 H new ATOM 0 HG2 GLU A 98 6.556 -16.791 4.001 1.00 13.11 H new ATOM 0 HG3 GLU A 98 6.198 -16.110 5.576 1.00 13.11 H new ATOM 1579 N GLY A 99 8.080 -11.944 5.300 1.00 20.13 N ATOM 1580 CA GLY A 99 9.016 -11.312 6.211 1.00 41.32 C ATOM 1581 C GLY A 99 8.406 -10.131 6.941 1.00 72.50 C ATOM 1582 O GLY A 99 8.846 -9.774 8.034 1.00 33.24 O ATOM 0 H GLY A 99 8.193 -11.683 4.320 1.00 20.13 H new ATOM 0 HA2 GLY A 99 9.362 -12.046 6.939 1.00 41.32 H new ATOM 0 HA3 GLY A 99 9.892 -10.978 5.654 1.00 41.32 H new ATOM 1586 N ALA A 100 7.391 -9.524 6.336 1.00 13.24 N ATOM 1587 CA ALA A 100 6.720 -8.377 6.935 1.00 15.52 C ATOM 1588 C ALA A 100 5.840 -8.805 8.103 1.00 4.54 C ATOM 1589 O ALA A 100 5.681 -8.069 9.077 1.00 43.53 O ATOM 1590 CB ALA A 100 5.895 -7.643 5.889 1.00 4.11 C ATOM 0 H ALA A 100 7.015 -9.807 5.431 1.00 13.24 H new ATOM 0 HA ALA A 100 7.483 -7.700 7.319 1.00 15.52 H new ATOM 0 HB1 ALA A 100 5.399 -6.789 6.350 1.00 4.11 H new ATOM 0 HB2 ALA A 100 6.548 -7.295 5.089 1.00 4.11 H new ATOM 0 HB3 ALA A 100 5.145 -8.319 5.477 1.00 4.11 H new ATOM 1596 N LYS A 101 5.267 -9.999 7.999 1.00 65.21 N ATOM 1597 CA LYS A 101 4.400 -10.527 9.047 1.00 11.42 C ATOM 1598 C LYS A 101 5.213 -10.924 10.275 1.00 51.21 C ATOM 1599 O LYS A 101 4.682 -10.998 11.383 1.00 2.30 O ATOM 1600 CB LYS A 101 3.616 -11.735 8.529 1.00 2.33 C ATOM 1601 CG LYS A 101 2.237 -11.382 7.998 1.00 15.22 C ATOM 1602 CD LYS A 101 1.561 -12.584 7.360 1.00 33.12 C ATOM 1603 CE LYS A 101 0.531 -13.204 8.291 1.00 41.43 C ATOM 1604 NZ LYS A 101 0.570 -14.691 8.251 1.00 74.13 N ATOM 0 H LYS A 101 5.387 -10.620 7.199 1.00 65.21 H new ATOM 0 HA LYS A 101 3.699 -9.743 9.334 1.00 11.42 H new ATOM 0 HB2 LYS A 101 4.189 -12.217 7.737 1.00 2.33 H new ATOM 0 HB3 LYS A 101 3.511 -12.462 9.334 1.00 2.33 H new ATOM 0 HG2 LYS A 101 1.618 -11.005 8.812 1.00 15.22 H new ATOM 0 HG3 LYS A 101 2.323 -10.580 7.265 1.00 15.22 H new ATOM 0 HD2 LYS A 101 1.077 -12.280 6.432 1.00 33.12 H new ATOM 0 HD3 LYS A 101 2.312 -13.329 7.099 1.00 33.12 H new ATOM 0 HE2 LYS A 101 0.712 -12.864 9.311 1.00 41.43 H new ATOM 0 HE3 LYS A 101 -0.465 -12.859 8.012 1.00 41.43 H new ATOM 0 HZ1 LYS A 101 -0.147 -15.075 8.899 1.00 74.13 H new ATOM 0 HZ2 LYS A 101 0.372 -15.018 7.284 1.00 74.13 H new ATOM 0 HZ3 LYS A 101 1.512 -15.022 8.542 1.00 74.13 H new ATOM 1618 N GLN A 102 6.502 -11.177 10.070 1.00 62.34 N ATOM 1619 CA GLN A 102 7.386 -11.566 11.163 1.00 2.11 C ATOM 1620 C GLN A 102 7.924 -10.339 11.891 1.00 2.41 C ATOM 1621 O GLN A 102 8.140 -10.369 13.102 1.00 75.41 O ATOM 1622 CB GLN A 102 8.547 -12.408 10.631 1.00 11.24 C ATOM 1623 CG GLN A 102 8.658 -13.775 11.288 1.00 53.44 C ATOM 1624 CD GLN A 102 10.095 -14.223 11.462 1.00 54.03 C ATOM 1625 OE1 GLN A 102 11.023 -13.585 10.962 1.00 1.54 O ATOM 1626 NE2 GLN A 102 10.289 -15.326 12.174 1.00 74.51 N ATOM 0 H GLN A 102 6.957 -11.120 9.159 1.00 62.34 H new ATOM 0 HA GLN A 102 6.809 -12.161 11.871 1.00 2.11 H new ATOM 0 HB2 GLN A 102 8.427 -12.540 9.556 1.00 11.24 H new ATOM 0 HB3 GLN A 102 9.479 -11.864 10.783 1.00 11.24 H new ATOM 0 HG2 GLN A 102 8.170 -13.747 12.262 1.00 53.44 H new ATOM 0 HG3 GLN A 102 8.123 -14.508 10.685 1.00 53.44 H new ATOM 0 HE21 GLN A 102 9.492 -15.824 12.570 1.00 74.51 H new ATOM 0 HE22 GLN A 102 11.235 -15.676 12.325 1.00 74.51 H new ATOM 1635 N ILE A 103 8.138 -9.260 11.144 1.00 50.10 N ATOM 1636 CA ILE A 103 8.650 -8.022 11.719 1.00 62.23 C ATOM 1637 C ILE A 103 7.553 -7.267 12.462 1.00 14.21 C ATOM 1638 O ILE A 103 7.765 -6.774 13.570 1.00 12.23 O ATOM 1639 CB ILE A 103 9.248 -7.104 10.637 1.00 65.12 C ATOM 1640 CG1 ILE A 103 10.430 -7.792 9.951 1.00 15.34 C ATOM 1641 CG2 ILE A 103 9.680 -5.779 11.246 1.00 50.14 C ATOM 1642 CD1 ILE A 103 10.921 -7.062 8.719 1.00 31.21 C ATOM 0 H ILE A 103 7.965 -9.219 10.140 1.00 50.10 H new ATOM 0 HA ILE A 103 9.436 -8.301 12.421 1.00 62.23 H new ATOM 0 HB ILE A 103 8.483 -6.904 9.887 1.00 65.12 H new ATOM 0 HG12 ILE A 103 11.251 -7.881 10.662 1.00 15.34 H new ATOM 0 HG13 ILE A 103 10.139 -8.805 9.672 1.00 15.34 H new ATOM 0 HG21 ILE A 103 10.101 -5.141 10.469 1.00 50.14 H new ATOM 0 HG22 ILE A 103 8.817 -5.285 11.693 1.00 50.14 H new ATOM 0 HG23 ILE A 103 10.432 -5.960 12.014 1.00 50.14 H new ATOM 0 HD11 ILE A 103 11.760 -7.606 8.284 1.00 31.21 H new ATOM 0 HD12 ILE A 103 10.114 -6.996 7.989 1.00 31.21 H new ATOM 0 HD13 ILE A 103 11.243 -6.058 8.995 1.00 31.21 H new ATOM 1654 N VAL A 104 6.379 -7.181 11.846 1.00 24.13 N ATOM 1655 CA VAL A 104 5.247 -6.489 12.450 1.00 3.13 C ATOM 1656 C VAL A 104 4.733 -7.239 13.673 1.00 61.10 C ATOM 1657 O VAL A 104 4.499 -6.644 14.725 1.00 61.35 O ATOM 1658 CB VAL A 104 4.093 -6.316 11.444 1.00 22.01 C ATOM 1659 CG1 VAL A 104 2.898 -5.653 12.110 1.00 40.14 C ATOM 1660 CG2 VAL A 104 4.554 -5.513 10.237 1.00 15.34 C ATOM 0 H VAL A 104 6.187 -7.582 10.928 1.00 24.13 H new ATOM 0 HA VAL A 104 5.604 -5.505 12.755 1.00 3.13 H new ATOM 0 HB VAL A 104 3.785 -7.303 11.099 1.00 22.01 H new ATOM 0 HG11 VAL A 104 2.093 -5.539 11.384 1.00 40.14 H new ATOM 0 HG12 VAL A 104 2.554 -6.272 12.939 1.00 40.14 H new ATOM 0 HG13 VAL A 104 3.189 -4.672 12.486 1.00 40.14 H new ATOM 0 HG21 VAL A 104 3.726 -5.401 9.537 1.00 15.34 H new ATOM 0 HG22 VAL A 104 4.891 -4.529 10.562 1.00 15.34 H new ATOM 0 HG23 VAL A 104 5.376 -6.034 9.746 1.00 15.34 H new ATOM 1670 N ARG A 105 4.559 -8.548 13.527 1.00 62.33 N ATOM 1671 CA ARG A 105 4.071 -9.381 14.620 1.00 14.31 C ATOM 1672 C ARG A 105 4.911 -9.173 15.877 1.00 71.23 C ATOM 1673 O ARG A 105 4.378 -8.906 16.955 1.00 4.21 O ATOM 1674 CB ARG A 105 4.094 -10.856 14.216 1.00 32.10 C ATOM 1675 CG ARG A 105 3.675 -11.800 15.331 1.00 51.45 C ATOM 1676 CD ARG A 105 4.732 -12.864 15.587 1.00 41.41 C ATOM 1677 NE ARG A 105 4.339 -13.779 16.654 1.00 24.41 N ATOM 1678 CZ ARG A 105 5.146 -14.703 17.164 1.00 64.32 C ATOM 1679 NH1 ARG A 105 6.383 -14.832 16.706 1.00 50.14 N ATOM 1680 NH2 ARG A 105 4.715 -15.500 18.134 1.00 52.41 N ATOM 0 H ARG A 105 4.749 -9.055 12.663 1.00 62.33 H new ATOM 0 HA ARG A 105 3.044 -9.088 14.837 1.00 14.31 H new ATOM 0 HB2 ARG A 105 3.433 -11.000 13.362 1.00 32.10 H new ATOM 0 HB3 ARG A 105 5.100 -11.118 13.888 1.00 32.10 H new ATOM 0 HG2 ARG A 105 3.501 -11.231 16.244 1.00 51.45 H new ATOM 0 HG3 ARG A 105 2.731 -12.279 15.069 1.00 51.45 H new ATOM 0 HD2 ARG A 105 4.907 -13.429 14.671 1.00 41.41 H new ATOM 0 HD3 ARG A 105 5.674 -12.383 15.850 1.00 41.41 H new ATOM 0 HE ARG A 105 3.393 -13.705 17.029 1.00 24.41 H new ATOM 0 HH11 ARG A 105 6.717 -14.221 15.961 1.00 50.14 H new ATOM 0 HH12 ARG A 105 7.001 -15.542 17.099 1.00 50.14 H new ATOM 0 HH21 ARG A 105 3.763 -15.403 18.488 1.00 52.41 H new ATOM 0 HH22 ARG A 105 5.335 -16.209 18.525 1.00 52.41 H new ATOM 1694 N ARG A 106 6.226 -9.300 15.732 1.00 1.12 N ATOM 1695 CA ARG A 106 7.139 -9.128 16.856 1.00 44.12 C ATOM 1696 C ARG A 106 6.924 -7.775 17.529 1.00 34.32 C ATOM 1697 O ARG A 106 6.803 -7.691 18.751 1.00 53.41 O ATOM 1698 CB ARG A 106 8.589 -9.253 16.386 1.00 13.01 C ATOM 1699 CG ARG A 106 9.106 -10.682 16.377 1.00 50.11 C ATOM 1700 CD ARG A 106 10.442 -10.795 17.095 1.00 23.10 C ATOM 1701 NE ARG A 106 10.945 -12.166 17.101 1.00 72.30 N ATOM 1702 CZ ARG A 106 10.420 -13.139 17.837 1.00 14.20 C ATOM 1703 NH1 ARG A 106 9.381 -12.892 18.623 1.00 33.52 N ATOM 1704 NH2 ARG A 106 10.935 -14.361 17.788 1.00 63.14 N ATOM 0 H ARG A 106 6.683 -9.521 14.847 1.00 1.12 H new ATOM 0 HA ARG A 106 6.932 -9.913 17.584 1.00 44.12 H new ATOM 0 HB2 ARG A 106 8.673 -8.839 15.381 1.00 13.01 H new ATOM 0 HB3 ARG A 106 9.225 -8.650 17.034 1.00 13.01 H new ATOM 0 HG2 ARG A 106 8.378 -11.337 16.856 1.00 50.11 H new ATOM 0 HG3 ARG A 106 9.214 -11.024 15.348 1.00 50.11 H new ATOM 0 HD2 ARG A 106 11.170 -10.144 16.611 1.00 23.10 H new ATOM 0 HD3 ARG A 106 10.333 -10.444 18.121 1.00 23.10 H new ATOM 0 HE ARG A 106 11.744 -12.389 16.507 1.00 72.30 H new ATOM 0 HH11 ARG A 106 8.984 -11.953 18.663 1.00 33.52 H new ATOM 0 HH12 ARG A 106 8.979 -13.641 19.187 1.00 33.52 H new ATOM 0 HH21 ARG A 106 11.735 -14.554 17.185 1.00 63.14 H new ATOM 0 HH22 ARG A 106 10.531 -15.108 18.354 1.00 63.14 H new ATOM 1718 N HIS A 107 6.880 -6.720 16.722 1.00 34.35 N ATOM 1719 CA HIS A 107 6.682 -5.369 17.238 1.00 65.41 C ATOM 1720 C HIS A 107 5.409 -5.293 18.079 1.00 35.24 C ATOM 1721 O HIS A 107 5.337 -4.393 18.916 1.00 55.33 O ATOM 1722 CB HIS A 107 6.606 -4.366 16.088 1.00 33.04 C ATOM 1723 CG HIS A 107 7.925 -4.123 15.419 1.00 2.51 C ATOM 1724 ND1 HIS A 107 9.112 -4.018 16.111 1.00 71.14 N ATOM 1725 CD2 HIS A 107 8.238 -3.962 14.112 1.00 70.11 C ATOM 1726 CE1 HIS A 107 10.098 -3.804 15.260 1.00 73.24 C ATOM 1727 NE2 HIS A 107 9.595 -3.767 14.039 1.00 52.30 N ATOM 0 H HIS A 107 6.979 -6.774 15.708 1.00 34.35 H new ATOM 0 HA HIS A 107 7.533 -5.119 17.871 1.00 65.41 H new ATOM 0 HB2 HIS A 107 5.893 -4.728 15.347 1.00 33.04 H new ATOM 0 HB3 HIS A 107 6.220 -3.420 16.467 1.00 33.04 H new ATOM 0 HD2 HIS A 107 7.548 -3.983 13.281 1.00 70.11 H new ATOM 0 HE1 HIS A 107 11.139 -3.680 15.518 1.00 73.24 H new ATOM 0 HE2 HIS A 107 10.128 -3.618 13.182 1.00 52.30 H new ATOM 1735 N LEU A 108 4.440 -6.181 17.887 1.00 72.11 N ATOM 1736 CA LEU A 108 3.207 -6.148 18.666 1.00 51.53 C ATOM 1737 C LEU A 108 3.332 -7.007 19.920 1.00 50.15 C ATOM 1738 O LEU A 108 2.885 -6.618 20.999 1.00 63.01 O ATOM 1739 CB LEU A 108 2.031 -6.632 17.817 1.00 35.35 C ATOM 1740 CG LEU A 108 1.804 -5.891 16.500 1.00 33.03 C ATOM 1741 CD1 LEU A 108 1.289 -6.844 15.432 1.00 62.55 C ATOM 1742 CD2 LEU A 108 0.834 -4.735 16.698 1.00 74.33 C ATOM 0 H LEU A 108 4.484 -6.933 17.199 1.00 72.11 H new ATOM 0 HA LEU A 108 3.026 -5.117 18.971 1.00 51.53 H new ATOM 0 HB2 LEU A 108 2.180 -7.689 17.595 1.00 35.35 H new ATOM 0 HB3 LEU A 108 1.122 -6.557 18.414 1.00 35.35 H new ATOM 0 HG LEU A 108 2.759 -5.485 16.166 1.00 33.03 H new ATOM 0 HD11 LEU A 108 1.133 -6.298 14.502 1.00 62.55 H new ATOM 0 HD12 LEU A 108 2.019 -7.637 15.270 1.00 62.55 H new ATOM 0 HD13 LEU A 108 0.345 -7.281 15.759 1.00 62.55 H new ATOM 0 HD21 LEU A 108 0.684 -4.219 15.750 1.00 74.33 H new ATOM 0 HD22 LEU A 108 -0.121 -5.119 17.057 1.00 74.33 H new ATOM 0 HD23 LEU A 108 1.243 -4.038 17.430 1.00 74.33 H new