USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 744 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 14 LYS NZ :NH3+ 174:sc= 2.25 (180deg=0.898) USER MOD Set 1.2: A 144 GLN : amide:sc= 0.497 K(o=2.7,f=-8.8!) USER MOD Single : A 11 THR OG1 : rot -100:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.562! C(o=-0.56!,f=-11!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -18:sc= 0.282 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 177:sc= 0.545 USER MOD Single : A 87 ASN : amide:sc= 0.754 K(o=0.75,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 121:sc= 1.23 USER MOD Single : A 109 THR OG1 : rot 85:sc= 0.155 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0.00702 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 MET CE :methyl -163:sc= -2.72! (180deg=-4.15!) USER MOD Single : A 141 LYS NZ :NH3+ -133:sc= 1.19 (180deg=-0.679!) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 -0.383 6.382 9.777 1.00 24.25 N ATOM 57 CA VAL A 5 -0.262 5.142 9.044 1.00 11.14 C ATOM 58 C VAL A 5 -1.578 4.877 8.317 1.00 53.44 C ATOM 59 O VAL A 5 -2.539 4.363 8.898 1.00 2.20 O ATOM 60 CB VAL A 5 0.099 3.973 9.984 1.00 33.21 C ATOM 61 CG1 VAL A 5 0.339 2.690 9.210 1.00 20.22 C ATOM 62 CG2 VAL A 5 1.303 4.333 10.836 1.00 2.53 C ATOM 0 HA VAL A 5 0.546 5.225 8.317 1.00 11.14 H new ATOM 0 HB VAL A 5 -0.750 3.796 10.645 1.00 33.21 H new ATOM 0 HG11 VAL A 5 0.591 1.888 9.904 1.00 20.22 H new ATOM 0 HG12 VAL A 5 -0.563 2.423 8.659 1.00 20.22 H new ATOM 0 HG13 VAL A 5 1.162 2.836 8.510 1.00 20.22 H new ATOM 0 HG21 VAL A 5 1.546 3.499 11.494 1.00 2.53 H new ATOM 0 HG22 VAL A 5 2.155 4.546 10.190 1.00 2.53 H new ATOM 0 HG23 VAL A 5 1.074 5.214 11.436 1.00 2.53 H new ATOM 72 N VAL A 6 -1.612 5.247 7.045 1.00 1.32 N ATOM 73 CA VAL A 6 -2.855 5.288 6.280 1.00 72.30 C ATOM 74 C VAL A 6 -3.264 3.903 5.788 1.00 22.51 C ATOM 75 O VAL A 6 -2.420 3.097 5.411 1.00 50.43 O ATOM 76 CB VAL A 6 -2.730 6.262 5.083 1.00 54.13 C ATOM 77 CG1 VAL A 6 -1.632 5.818 4.125 1.00 61.32 C ATOM 78 CG2 VAL A 6 -4.059 6.410 4.355 1.00 55.02 C ATOM 0 H VAL A 6 -0.786 5.526 6.515 1.00 1.32 H new ATOM 0 HA VAL A 6 -3.635 5.648 6.951 1.00 72.30 H new ATOM 0 HB VAL A 6 -2.454 7.239 5.479 1.00 54.13 H new ATOM 0 HG11 VAL A 6 -1.568 6.521 3.295 1.00 61.32 H new ATOM 0 HG12 VAL A 6 -0.678 5.791 4.652 1.00 61.32 H new ATOM 0 HG13 VAL A 6 -1.863 4.824 3.742 1.00 61.32 H new ATOM 0 HG21 VAL A 6 -3.941 7.100 3.519 1.00 55.02 H new ATOM 0 HG22 VAL A 6 -4.379 5.438 3.981 1.00 55.02 H new ATOM 0 HG23 VAL A 6 -4.810 6.799 5.043 1.00 55.02 H new ATOM 88 N ARG A 7 -4.565 3.634 5.815 1.00 52.14 N ATOM 89 CA ARG A 7 -5.099 2.363 5.355 1.00 41.30 C ATOM 90 C ARG A 7 -6.318 2.615 4.479 1.00 1.43 C ATOM 91 O ARG A 7 -7.320 3.158 4.944 1.00 45.14 O ATOM 92 CB ARG A 7 -5.486 1.486 6.557 1.00 74.14 C ATOM 93 CG ARG A 7 -5.626 -0.007 6.254 1.00 21.24 C ATOM 94 CD ARG A 7 -6.812 -0.322 5.351 1.00 15.34 C ATOM 95 NE ARG A 7 -8.084 0.116 5.928 1.00 2.44 N ATOM 96 CZ ARG A 7 -9.246 0.091 5.275 1.00 24.14 C ATOM 97 NH1 ARG A 7 -9.305 -0.365 4.027 1.00 71.51 N ATOM 98 NH2 ARG A 7 -10.348 0.521 5.872 1.00 24.20 N ATOM 0 H ARG A 7 -5.272 4.287 6.154 1.00 52.14 H new ATOM 0 HA ARG A 7 -4.338 1.841 4.774 1.00 41.30 H new ATOM 0 HB2 ARG A 7 -4.735 1.614 7.337 1.00 74.14 H new ATOM 0 HB3 ARG A 7 -6.431 1.849 6.962 1.00 74.14 H new ATOM 0 HG2 ARG A 7 -4.711 -0.363 5.781 1.00 21.24 H new ATOM 0 HG3 ARG A 7 -5.734 -0.554 7.191 1.00 21.24 H new ATOM 0 HD2 ARG A 7 -6.668 0.162 4.385 1.00 15.34 H new ATOM 0 HD3 ARG A 7 -6.850 -1.396 5.167 1.00 15.34 H new ATOM 0 HE ARG A 7 -8.081 0.461 6.888 1.00 2.44 H new ATOM 0 HH11 ARG A 7 -8.459 -0.698 3.565 1.00 71.51 H new ATOM 0 HH12 ARG A 7 -10.197 -0.382 3.532 1.00 71.51 H new ATOM 0 HH21 ARG A 7 -10.306 0.870 6.829 1.00 24.20 H new ATOM 0 HH22 ARG A 7 -11.238 0.503 5.374 1.00 24.20 H new ATOM 112 N ASP A 8 -6.223 2.237 3.215 1.00 52.43 N ATOM 113 CA ASP A 8 -7.366 2.296 2.315 1.00 10.34 C ATOM 114 C ASP A 8 -7.294 1.114 1.355 1.00 15.40 C ATOM 115 O ASP A 8 -6.305 0.379 1.360 1.00 64.31 O ATOM 116 CB ASP A 8 -7.413 3.625 1.554 1.00 72.35 C ATOM 117 CG ASP A 8 -8.822 3.977 1.105 1.00 14.21 C ATOM 118 OD1 ASP A 8 -9.309 3.374 0.128 1.00 42.04 O ATOM 119 OD2 ASP A 8 -9.457 4.840 1.747 1.00 4.30 O ATOM 0 H ASP A 8 -5.366 1.886 2.787 1.00 52.43 H new ATOM 0 HA ASP A 8 -8.285 2.237 2.898 1.00 10.34 H new ATOM 0 HB2 ASP A 8 -7.026 4.421 2.191 1.00 72.35 H new ATOM 0 HB3 ASP A 8 -6.759 3.567 0.684 1.00 72.35 H new ATOM 124 N ALA A 9 -8.325 0.917 0.549 1.00 30.25 N ATOM 125 CA ALA A 9 -8.423 -0.282 -0.271 1.00 12.24 C ATOM 126 C ALA A 9 -8.829 0.037 -1.700 1.00 71.04 C ATOM 127 O ALA A 9 -9.846 0.690 -1.943 1.00 22.05 O ATOM 128 CB ALA A 9 -9.414 -1.252 0.340 1.00 34.54 C ATOM 0 H ALA A 9 -9.103 1.568 0.444 1.00 30.25 H new ATOM 0 HA ALA A 9 -7.433 -0.738 -0.301 1.00 12.24 H new ATOM 0 HB1 ALA A 9 -9.479 -2.145 -0.281 1.00 34.54 H new ATOM 0 HB2 ALA A 9 -9.082 -1.530 1.340 1.00 34.54 H new ATOM 0 HB3 ALA A 9 -10.395 -0.780 0.401 1.00 34.54 H new ATOM 134 N VAL A 10 -8.037 -0.443 -2.644 1.00 61.25 N ATOM 135 CA VAL A 10 -8.346 -0.281 -4.053 1.00 24.41 C ATOM 136 C VAL A 10 -8.448 -1.649 -4.725 1.00 32.50 C ATOM 137 O VAL A 10 -7.624 -2.528 -4.488 1.00 61.10 O ATOM 138 CB VAL A 10 -7.291 0.592 -4.778 1.00 64.44 C ATOM 139 CG1 VAL A 10 -7.265 2.001 -4.201 1.00 55.35 C ATOM 140 CG2 VAL A 10 -5.904 -0.033 -4.702 1.00 52.40 C ATOM 0 H VAL A 10 -7.172 -0.950 -2.458 1.00 61.25 H new ATOM 0 HA VAL A 10 -9.304 0.233 -4.126 1.00 24.41 H new ATOM 0 HB VAL A 10 -7.580 0.649 -5.828 1.00 64.44 H new ATOM 0 HG11 VAL A 10 -6.517 2.595 -4.726 1.00 55.35 H new ATOM 0 HG12 VAL A 10 -8.245 2.462 -4.322 1.00 55.35 H new ATOM 0 HG13 VAL A 10 -7.014 1.956 -3.141 1.00 55.35 H new ATOM 0 HG21 VAL A 10 -5.188 0.605 -5.220 1.00 52.40 H new ATOM 0 HG22 VAL A 10 -5.608 -0.136 -3.658 1.00 52.40 H new ATOM 0 HG23 VAL A 10 -5.921 -1.016 -5.173 1.00 52.40 H new ATOM 150 N THR A 11 -9.479 -1.849 -5.529 1.00 44.25 N ATOM 151 CA THR A 11 -9.646 -3.108 -6.227 1.00 10.25 C ATOM 152 C THR A 11 -9.410 -2.939 -7.722 1.00 2.33 C ATOM 153 O THR A 11 -10.038 -2.114 -8.387 1.00 42.14 O ATOM 154 CB THR A 11 -11.030 -3.742 -5.966 1.00 23.33 C ATOM 155 OG1 THR A 11 -11.184 -4.933 -6.755 1.00 32.11 O ATOM 156 CG2 THR A 11 -12.162 -2.776 -6.270 1.00 35.21 C ATOM 0 H THR A 11 -10.208 -1.159 -5.712 1.00 44.25 H new ATOM 0 HA THR A 11 -8.895 -3.791 -5.830 1.00 10.25 H new ATOM 0 HB THR A 11 -11.080 -3.993 -4.907 1.00 23.33 H new ATOM 0 HG1 THR A 11 -11.721 -4.732 -7.549 1.00 32.11 H new ATOM 0 HG21 THR A 11 -13.118 -3.262 -6.073 1.00 35.21 H new ATOM 0 HG22 THR A 11 -12.067 -1.893 -5.638 1.00 35.21 H new ATOM 0 HG23 THR A 11 -12.115 -2.479 -7.318 1.00 35.21 H new ATOM 164 N ILE A 12 -8.473 -3.721 -8.226 1.00 12.24 N ATOM 165 CA ILE A 12 -8.087 -3.679 -9.628 1.00 0.45 C ATOM 166 C ILE A 12 -8.357 -5.036 -10.278 1.00 43.52 C ATOM 167 O ILE A 12 -8.325 -6.063 -9.598 1.00 62.11 O ATOM 168 CB ILE A 12 -6.589 -3.299 -9.799 1.00 13.05 C ATOM 169 CG1 ILE A 12 -6.299 -1.909 -9.218 1.00 43.13 C ATOM 170 CG2 ILE A 12 -6.171 -3.342 -11.260 1.00 70.23 C ATOM 171 CD1 ILE A 12 -6.053 -1.904 -7.724 1.00 44.42 C ATOM 0 H ILE A 12 -7.956 -4.406 -7.675 1.00 12.24 H new ATOM 0 HA ILE A 12 -8.684 -2.910 -10.118 1.00 0.45 H new ATOM 0 HB ILE A 12 -6.007 -4.038 -9.248 1.00 13.05 H new ATOM 0 HG12 ILE A 12 -5.427 -1.491 -9.721 1.00 43.13 H new ATOM 0 HG13 ILE A 12 -7.140 -1.252 -9.439 1.00 43.13 H new ATOM 0 HG21 ILE A 12 -5.119 -3.071 -11.345 1.00 70.23 H new ATOM 0 HG22 ILE A 12 -6.320 -4.348 -11.652 1.00 70.23 H new ATOM 0 HG23 ILE A 12 -6.774 -2.637 -11.832 1.00 70.23 H new ATOM 0 HD11 ILE A 12 -5.856 -0.885 -7.391 1.00 44.42 H new ATOM 0 HD12 ILE A 12 -6.933 -2.290 -7.209 1.00 44.42 H new ATOM 0 HD13 ILE A 12 -5.193 -2.533 -7.495 1.00 44.42 H new ATOM 183 N GLY A 13 -8.635 -5.031 -11.583 1.00 23.22 N ATOM 184 CA GLY A 13 -8.953 -6.256 -12.304 1.00 42.05 C ATOM 185 C GLY A 13 -7.753 -7.166 -12.540 1.00 31.11 C ATOM 186 O GLY A 13 -7.782 -8.013 -13.435 1.00 5.12 O ATOM 0 H GLY A 13 -8.645 -4.189 -12.159 1.00 23.22 H new ATOM 0 HA2 GLY A 13 -9.710 -6.807 -11.746 1.00 42.05 H new ATOM 0 HA3 GLY A 13 -9.393 -5.995 -13.267 1.00 42.05 H new ATOM 190 N LYS A 14 -6.701 -6.995 -11.749 1.00 4.01 N ATOM 191 CA LYS A 14 -5.556 -7.897 -11.792 1.00 42.22 C ATOM 192 C LYS A 14 -5.780 -9.038 -10.808 1.00 51.44 C ATOM 193 O LYS A 14 -6.356 -8.823 -9.742 1.00 11.31 O ATOM 194 CB LYS A 14 -4.251 -7.160 -11.474 1.00 24.20 C ATOM 195 CG LYS A 14 -3.716 -6.357 -12.650 1.00 22.45 C ATOM 196 CD LYS A 14 -2.268 -5.942 -12.442 1.00 13.15 C ATOM 197 CE LYS A 14 -2.138 -4.860 -11.385 1.00 62.30 C ATOM 198 NZ LYS A 14 -0.724 -4.451 -11.154 1.00 52.45 N ATOM 0 H LYS A 14 -6.617 -6.239 -11.069 1.00 4.01 H new ATOM 0 HA LYS A 14 -5.464 -8.298 -12.801 1.00 42.22 H new ATOM 0 HB2 LYS A 14 -4.416 -6.490 -10.630 1.00 24.20 H new ATOM 0 HB3 LYS A 14 -3.498 -7.885 -11.164 1.00 24.20 H new ATOM 0 HG2 LYS A 14 -3.796 -6.950 -13.561 1.00 22.45 H new ATOM 0 HG3 LYS A 14 -4.331 -5.469 -12.793 1.00 22.45 H new ATOM 0 HD2 LYS A 14 -1.680 -6.811 -12.147 1.00 13.15 H new ATOM 0 HD3 LYS A 14 -1.854 -5.582 -13.384 1.00 13.15 H new ATOM 0 HE2 LYS A 14 -2.719 -3.989 -11.688 1.00 62.30 H new ATOM 0 HE3 LYS A 14 -2.566 -5.219 -10.449 1.00 62.30 H new ATOM 0 HZ1 LYS A 14 -0.699 -3.643 -10.500 1.00 52.45 H new ATOM 0 HZ2 LYS A 14 -0.196 -5.246 -10.742 1.00 52.45 H new ATOM 0 HZ3 LYS A 14 -0.289 -4.178 -12.059 1.00 52.45 H new ATOM 212 N PRO A 15 -5.333 -10.261 -11.152 1.00 63.22 N ATOM 213 CA PRO A 15 -5.587 -11.462 -10.344 1.00 44.33 C ATOM 214 C PRO A 15 -5.345 -11.262 -8.847 1.00 24.24 C ATOM 215 O PRO A 15 -6.265 -11.457 -8.054 1.00 51.11 O ATOM 216 CB PRO A 15 -4.597 -12.472 -10.917 1.00 24.41 C ATOM 217 CG PRO A 15 -4.453 -12.077 -12.345 1.00 11.23 C ATOM 218 CD PRO A 15 -4.568 -10.575 -12.374 1.00 34.10 C ATOM 0 HA PRO A 15 -6.632 -11.767 -10.401 1.00 44.33 H new ATOM 0 HB2 PRO A 15 -3.641 -12.432 -10.395 1.00 24.41 H new ATOM 0 HB3 PRO A 15 -4.970 -13.492 -10.822 1.00 24.41 H new ATOM 0 HG2 PRO A 15 -3.493 -12.403 -12.745 1.00 11.23 H new ATOM 0 HG3 PRO A 15 -5.227 -12.539 -12.958 1.00 11.23 H new ATOM 0 HD2 PRO A 15 -3.588 -10.098 -12.367 1.00 34.10 H new ATOM 0 HD3 PRO A 15 -5.084 -10.230 -13.270 1.00 34.10 H new ATOM 226 N ALA A 16 -4.121 -10.863 -8.470 1.00 21.34 N ATOM 227 CA ALA A 16 -3.779 -10.575 -7.067 1.00 41.11 C ATOM 228 C ALA A 16 -2.287 -10.307 -6.915 1.00 33.53 C ATOM 229 O ALA A 16 -1.866 -9.238 -6.475 1.00 15.32 O ATOM 230 CB ALA A 16 -4.173 -11.731 -6.146 1.00 53.21 C ATOM 0 H ALA A 16 -3.347 -10.732 -9.121 1.00 21.34 H new ATOM 0 HA ALA A 16 -4.340 -9.686 -6.779 1.00 41.11 H new ATOM 0 HB1 ALA A 16 -3.906 -11.485 -5.118 1.00 53.21 H new ATOM 0 HB2 ALA A 16 -5.248 -11.898 -6.212 1.00 53.21 H new ATOM 0 HB3 ALA A 16 -3.646 -12.635 -6.451 1.00 53.21 H new ATOM 236 N GLU A 17 -1.508 -11.299 -7.318 1.00 33.45 N ATOM 237 CA GLU A 17 -0.063 -11.341 -7.102 1.00 63.22 C ATOM 238 C GLU A 17 0.644 -10.106 -7.668 1.00 33.13 C ATOM 239 O GLU A 17 1.582 -9.582 -7.076 1.00 63.22 O ATOM 240 CB GLU A 17 0.466 -12.609 -7.768 1.00 53.24 C ATOM 241 CG GLU A 17 1.717 -13.188 -7.140 1.00 53.40 C ATOM 242 CD GLU A 17 1.953 -14.608 -7.603 1.00 60.34 C ATOM 243 OE1 GLU A 17 1.284 -15.525 -7.076 1.00 1.03 O ATOM 244 OE2 GLU A 17 2.771 -14.813 -8.524 1.00 43.23 O ATOM 0 H GLU A 17 -1.866 -12.115 -7.814 1.00 33.45 H new ATOM 0 HA GLU A 17 0.140 -11.346 -6.031 1.00 63.22 H new ATOM 0 HB2 GLU A 17 -0.317 -13.367 -7.746 1.00 53.24 H new ATOM 0 HB3 GLU A 17 0.671 -12.392 -8.816 1.00 53.24 H new ATOM 0 HG2 GLU A 17 2.577 -12.570 -7.399 1.00 53.40 H new ATOM 0 HG3 GLU A 17 1.625 -13.167 -6.054 1.00 53.40 H new ATOM 251 N GLN A 18 0.161 -9.627 -8.798 1.00 31.51 N ATOM 252 CA GLN A 18 0.798 -8.524 -9.503 1.00 14.25 C ATOM 253 C GLN A 18 0.298 -7.170 -9.009 1.00 2.55 C ATOM 254 O GLN A 18 0.769 -6.124 -9.458 1.00 4.15 O ATOM 255 CB GLN A 18 0.631 -8.646 -11.021 1.00 14.32 C ATOM 256 CG GLN A 18 -0.797 -8.845 -11.496 1.00 35.11 C ATOM 257 CD GLN A 18 -1.305 -10.255 -11.281 1.00 23.13 C ATOM 258 OE1 GLN A 18 -1.917 -10.559 -10.256 1.00 60.55 O ATOM 259 NE2 GLN A 18 -1.040 -11.126 -12.238 1.00 14.34 N ATOM 0 H GLN A 18 -0.678 -9.986 -9.253 1.00 31.51 H new ATOM 0 HA GLN A 18 1.863 -8.585 -9.280 1.00 14.25 H new ATOM 0 HB2 GLN A 18 1.031 -7.747 -11.489 1.00 14.32 H new ATOM 0 HB3 GLN A 18 1.234 -9.483 -11.372 1.00 14.32 H new ATOM 0 HG2 GLN A 18 -1.449 -8.147 -10.971 1.00 35.11 H new ATOM 0 HG3 GLN A 18 -0.858 -8.601 -12.557 1.00 35.11 H new ATOM 0 HE21 GLN A 18 -0.530 -10.830 -13.070 1.00 14.34 H new ATOM 0 HE22 GLN A 18 -1.345 -12.095 -12.145 1.00 14.34 H new ATOM 268 N LEU A 19 -0.688 -7.180 -8.123 1.00 52.51 N ATOM 269 CA LEU A 19 -1.176 -5.941 -7.530 1.00 33.40 C ATOM 270 C LEU A 19 -0.133 -5.328 -6.607 1.00 61.43 C ATOM 271 O LEU A 19 0.153 -4.142 -6.703 1.00 70.14 O ATOM 272 CB LEU A 19 -2.476 -6.175 -6.761 1.00 50.54 C ATOM 273 CG LEU A 19 -3.716 -6.382 -7.626 1.00 11.24 C ATOM 274 CD1 LEU A 19 -4.909 -6.728 -6.757 1.00 54.13 C ATOM 275 CD2 LEU A 19 -4.003 -5.131 -8.439 1.00 44.43 C ATOM 0 H LEU A 19 -1.163 -8.023 -7.801 1.00 52.51 H new ATOM 0 HA LEU A 19 -1.373 -5.245 -8.345 1.00 33.40 H new ATOM 0 HB2 LEU A 19 -2.349 -7.049 -6.122 1.00 50.54 H new ATOM 0 HB3 LEU A 19 -2.649 -5.322 -6.104 1.00 50.54 H new ATOM 0 HG LEU A 19 -3.531 -7.209 -8.311 1.00 11.24 H new ATOM 0 HD11 LEU A 19 -5.787 -6.873 -7.386 1.00 54.13 H new ATOM 0 HD12 LEU A 19 -4.703 -7.645 -6.204 1.00 54.13 H new ATOM 0 HD13 LEU A 19 -5.096 -5.915 -6.055 1.00 54.13 H new ATOM 0 HD21 LEU A 19 -4.890 -5.291 -9.052 1.00 44.43 H new ATOM 0 HD22 LEU A 19 -4.174 -4.291 -7.766 1.00 44.43 H new ATOM 0 HD23 LEU A 19 -3.151 -4.912 -9.083 1.00 44.43 H new ATOM 287 N TYR A 20 0.443 -6.135 -5.721 1.00 51.01 N ATOM 288 CA TYR A 20 1.413 -5.609 -4.758 1.00 23.41 C ATOM 289 C TYR A 20 2.733 -5.287 -5.455 1.00 60.54 C ATOM 290 O TYR A 20 3.499 -4.440 -5.003 1.00 54.12 O ATOM 291 CB TYR A 20 1.627 -6.580 -3.581 1.00 23.54 C ATOM 292 CG TYR A 20 2.816 -7.514 -3.704 1.00 60.35 C ATOM 293 CD1 TYR A 20 2.782 -8.627 -4.533 1.00 3.22 C ATOM 294 CD2 TYR A 20 3.965 -7.291 -2.955 1.00 34.45 C ATOM 295 CE1 TYR A 20 3.862 -9.489 -4.616 1.00 51.55 C ATOM 296 CE2 TYR A 20 5.049 -8.142 -3.036 1.00 71.42 C ATOM 297 CZ TYR A 20 4.992 -9.241 -3.864 1.00 32.51 C ATOM 298 OH TYR A 20 6.064 -10.102 -3.924 1.00 3.42 O ATOM 0 H TYR A 20 0.262 -7.136 -5.647 1.00 51.01 H new ATOM 0 HA TYR A 20 1.009 -4.686 -4.343 1.00 23.41 H new ATOM 0 HB2 TYR A 20 1.741 -5.995 -2.668 1.00 23.54 H new ATOM 0 HB3 TYR A 20 0.726 -7.182 -3.463 1.00 23.54 H new ATOM 0 HD1 TYR A 20 1.899 -8.824 -5.123 1.00 3.22 H new ATOM 0 HD2 TYR A 20 4.011 -6.436 -2.297 1.00 34.45 H new ATOM 0 HE1 TYR A 20 3.820 -10.351 -5.266 1.00 51.55 H new ATOM 0 HE2 TYR A 20 5.937 -7.947 -2.453 1.00 71.42 H new ATOM 0 HH TYR A 20 6.776 -9.779 -3.334 1.00 3.42 H new ATOM 308 N ALA A 21 2.969 -5.960 -6.574 1.00 11.15 N ATOM 309 CA ALA A 21 4.192 -5.793 -7.353 1.00 70.33 C ATOM 310 C ALA A 21 4.185 -4.491 -8.150 1.00 64.44 C ATOM 311 O ALA A 21 5.153 -4.170 -8.838 1.00 31.32 O ATOM 312 CB ALA A 21 4.363 -6.973 -8.288 1.00 22.31 C ATOM 0 H ALA A 21 2.318 -6.638 -6.969 1.00 11.15 H new ATOM 0 HA ALA A 21 5.030 -5.747 -6.658 1.00 70.33 H new ATOM 0 HB1 ALA A 21 5.276 -6.847 -8.869 1.00 22.31 H new ATOM 0 HB2 ALA A 21 4.427 -7.892 -7.706 1.00 22.31 H new ATOM 0 HB3 ALA A 21 3.509 -7.029 -8.963 1.00 22.31 H new ATOM 318 N VAL A 22 3.074 -3.764 -8.064 1.00 4.31 N ATOM 319 CA VAL A 22 2.858 -2.534 -8.837 1.00 2.21 C ATOM 320 C VAL A 22 3.988 -1.504 -8.650 1.00 32.32 C ATOM 321 O VAL A 22 4.184 -0.627 -9.493 1.00 54.10 O ATOM 322 CB VAL A 22 1.501 -1.885 -8.469 1.00 5.43 C ATOM 323 CG1 VAL A 22 1.480 -1.441 -7.014 1.00 44.25 C ATOM 324 CG2 VAL A 22 1.192 -0.720 -9.397 1.00 51.12 C ATOM 0 H VAL A 22 2.293 -4.008 -7.455 1.00 4.31 H new ATOM 0 HA VAL A 22 2.853 -2.831 -9.886 1.00 2.21 H new ATOM 0 HB VAL A 22 0.723 -2.638 -8.597 1.00 5.43 H new ATOM 0 HG11 VAL A 22 0.515 -0.989 -6.785 1.00 44.25 H new ATOM 0 HG12 VAL A 22 1.639 -2.304 -6.368 1.00 44.25 H new ATOM 0 HG13 VAL A 22 2.271 -0.711 -6.845 1.00 44.25 H new ATOM 0 HG21 VAL A 22 0.234 -0.279 -9.121 1.00 51.12 H new ATOM 0 HG22 VAL A 22 1.976 0.032 -9.311 1.00 51.12 H new ATOM 0 HG23 VAL A 22 1.144 -1.077 -10.426 1.00 51.12 H new ATOM 334 N TRP A 23 4.729 -1.608 -7.550 1.00 45.31 N ATOM 335 CA TRP A 23 5.830 -0.686 -7.285 1.00 50.15 C ATOM 336 C TRP A 23 6.979 -0.901 -8.273 1.00 74.11 C ATOM 337 O TRP A 23 7.917 -0.106 -8.334 1.00 42.21 O ATOM 338 CB TRP A 23 6.334 -0.834 -5.840 1.00 20.41 C ATOM 339 CG TRP A 23 6.920 -2.179 -5.527 1.00 72.40 C ATOM 340 CD1 TRP A 23 6.249 -3.280 -5.082 1.00 75.20 C ATOM 341 CD2 TRP A 23 8.299 -2.560 -5.616 1.00 72.44 C ATOM 342 NE1 TRP A 23 7.123 -4.323 -4.901 1.00 43.23 N ATOM 343 CE2 TRP A 23 8.386 -3.907 -5.220 1.00 75.21 C ATOM 344 CE3 TRP A 23 9.468 -1.897 -5.997 1.00 50.42 C ATOM 345 CZ2 TRP A 23 9.590 -4.600 -5.191 1.00 22.30 C ATOM 346 CZ3 TRP A 23 10.666 -2.587 -5.969 1.00 24.40 C ATOM 347 CH2 TRP A 23 10.718 -3.927 -5.569 1.00 1.12 C ATOM 0 H TRP A 23 4.588 -2.318 -6.831 1.00 45.31 H new ATOM 0 HA TRP A 23 5.451 0.327 -7.417 1.00 50.15 H new ATOM 0 HB2 TRP A 23 7.087 -0.069 -5.650 1.00 20.41 H new ATOM 0 HB3 TRP A 23 5.506 -0.643 -5.157 1.00 20.41 H new ATOM 0 HD1 TRP A 23 5.186 -3.325 -4.899 1.00 75.20 H new ATOM 0 HE1 TRP A 23 6.871 -5.258 -4.580 1.00 43.23 H new ATOM 0 HE3 TRP A 23 9.437 -0.863 -6.308 1.00 50.42 H new ATOM 0 HZ2 TRP A 23 9.633 -5.634 -4.881 1.00 22.30 H new ATOM 0 HZ3 TRP A 23 11.576 -2.084 -6.260 1.00 24.40 H new ATOM 0 HH2 TRP A 23 11.669 -4.440 -5.559 1.00 1.12 H new ATOM 358 N ARG A 24 6.898 -1.976 -9.048 1.00 21.40 N ATOM 359 CA ARG A 24 7.911 -2.286 -10.035 1.00 10.21 C ATOM 360 C ARG A 24 7.239 -2.742 -11.337 1.00 10.05 C ATOM 361 O ARG A 24 6.016 -2.817 -11.424 1.00 42.15 O ATOM 362 CB ARG A 24 8.860 -3.379 -9.500 1.00 30.45 C ATOM 363 CG ARG A 24 10.099 -3.595 -10.362 1.00 34.33 C ATOM 364 CD ARG A 24 10.860 -4.855 -9.980 1.00 15.12 C ATOM 365 NE ARG A 24 11.751 -5.289 -11.059 1.00 64.43 N ATOM 366 CZ ARG A 24 12.518 -6.378 -11.009 1.00 70.32 C ATOM 367 NH1 ARG A 24 12.602 -7.101 -9.900 1.00 41.32 N ATOM 368 NH2 ARG A 24 13.221 -6.736 -12.071 1.00 2.43 N ATOM 0 H ARG A 24 6.133 -2.649 -9.007 1.00 21.40 H new ATOM 0 HA ARG A 24 8.501 -1.392 -10.238 1.00 10.21 H new ATOM 0 HB2 ARG A 24 9.173 -3.113 -8.491 1.00 30.45 H new ATOM 0 HB3 ARG A 24 8.312 -4.318 -9.426 1.00 30.45 H new ATOM 0 HG2 ARG A 24 9.803 -3.656 -11.409 1.00 34.33 H new ATOM 0 HG3 ARG A 24 10.759 -2.733 -10.267 1.00 34.33 H new ATOM 0 HD2 ARG A 24 11.442 -4.671 -9.077 1.00 15.12 H new ATOM 0 HD3 ARG A 24 10.154 -5.652 -9.747 1.00 15.12 H new ATOM 0 HE ARG A 24 11.787 -4.720 -11.905 1.00 64.43 H new ATOM 0 HH11 ARG A 24 12.076 -6.826 -9.071 1.00 41.32 H new ATOM 0 HH12 ARG A 24 13.193 -7.932 -9.876 1.00 41.32 H new ATOM 0 HH21 ARG A 24 13.175 -6.179 -12.924 1.00 2.43 H new ATOM 0 HH22 ARG A 24 13.809 -7.569 -12.036 1.00 2.43 H new ATOM 382 N ASP A 25 8.067 -3.041 -12.326 1.00 10.52 N ATOM 383 CA ASP A 25 7.660 -3.548 -13.644 1.00 74.20 C ATOM 384 C ASP A 25 6.965 -4.934 -13.569 1.00 44.30 C ATOM 385 O ASP A 25 6.708 -5.572 -14.591 1.00 51.35 O ATOM 386 CB ASP A 25 8.938 -3.569 -14.514 1.00 33.40 C ATOM 387 CG ASP A 25 8.934 -4.559 -15.661 1.00 5.11 C ATOM 388 OD1 ASP A 25 8.309 -4.280 -16.700 1.00 15.30 O ATOM 389 OD2 ASP A 25 9.587 -5.617 -15.532 1.00 63.04 O ATOM 0 H ASP A 25 9.078 -2.937 -12.238 1.00 10.52 H new ATOM 0 HA ASP A 25 6.903 -2.900 -14.086 1.00 74.20 H new ATOM 0 HB2 ASP A 25 9.095 -2.570 -14.921 1.00 33.40 H new ATOM 0 HB3 ASP A 25 9.790 -3.789 -13.871 1.00 33.40 H new ATOM 394 N LEU A 26 6.597 -5.353 -12.357 1.00 60.30 N ATOM 395 CA LEU A 26 6.002 -6.672 -12.118 1.00 33.42 C ATOM 396 C LEU A 26 7.028 -7.763 -12.431 1.00 54.25 C ATOM 397 O LEU A 26 7.091 -8.278 -13.549 1.00 22.41 O ATOM 398 CB LEU A 26 4.710 -6.873 -12.937 1.00 42.44 C ATOM 399 CG LEU A 26 3.683 -5.739 -12.836 1.00 50.21 C ATOM 400 CD1 LEU A 26 2.478 -6.033 -13.717 1.00 0.35 C ATOM 401 CD2 LEU A 26 3.248 -5.536 -11.396 1.00 10.01 C ATOM 0 H LEU A 26 6.702 -4.789 -11.513 1.00 60.30 H new ATOM 0 HA LEU A 26 5.722 -6.738 -11.067 1.00 33.42 H new ATOM 0 HB2 LEU A 26 4.981 -7.002 -13.985 1.00 42.44 H new ATOM 0 HB3 LEU A 26 4.236 -7.800 -12.614 1.00 42.44 H new ATOM 0 HG LEU A 26 4.153 -4.820 -13.185 1.00 50.21 H new ATOM 0 HD11 LEU A 26 1.759 -5.218 -13.634 1.00 0.35 H new ATOM 0 HD12 LEU A 26 2.800 -6.128 -14.754 1.00 0.35 H new ATOM 0 HD13 LEU A 26 2.011 -6.964 -13.396 1.00 0.35 H new ATOM 0 HD21 LEU A 26 2.519 -4.727 -11.347 1.00 10.01 H new ATOM 0 HD22 LEU A 26 2.797 -6.454 -11.019 1.00 10.01 H new ATOM 0 HD23 LEU A 26 4.115 -5.281 -10.787 1.00 10.01 H new ATOM 413 N PRO A 27 7.865 -8.097 -11.436 1.00 53.11 N ATOM 414 CA PRO A 27 9.043 -8.960 -11.615 1.00 42.54 C ATOM 415 C PRO A 27 8.718 -10.353 -12.153 1.00 51.42 C ATOM 416 O PRO A 27 8.048 -11.149 -11.496 1.00 14.43 O ATOM 417 CB PRO A 27 9.629 -9.075 -10.203 1.00 74.14 C ATOM 418 CG PRO A 27 9.075 -7.914 -9.455 1.00 64.21 C ATOM 419 CD PRO A 27 7.714 -7.670 -10.035 1.00 41.22 C ATOM 0 HA PRO A 27 9.719 -8.532 -12.355 1.00 42.54 H new ATOM 0 HB2 PRO A 27 9.345 -10.017 -9.734 1.00 74.14 H new ATOM 0 HB3 PRO A 27 10.718 -9.046 -10.225 1.00 74.14 H new ATOM 0 HG2 PRO A 27 9.013 -8.129 -8.388 1.00 64.21 H new ATOM 0 HG3 PRO A 27 9.711 -7.036 -9.567 1.00 64.21 H new ATOM 0 HD2 PRO A 27 6.947 -8.247 -9.519 1.00 41.22 H new ATOM 0 HD3 PRO A 27 7.427 -6.621 -9.962 1.00 41.22 H new ATOM 998 N ALA A 64 16.227 -7.801 4.590 1.00 52.42 N ATOM 999 CA ALA A 64 14.810 -7.604 4.827 1.00 41.31 C ATOM 1000 C ALA A 64 14.130 -8.950 5.053 1.00 73.10 C ATOM 1001 O ALA A 64 14.333 -9.889 4.286 1.00 64.12 O ATOM 1002 CB ALA A 64 14.176 -6.874 3.656 1.00 20.24 C ATOM 0 HA ALA A 64 14.681 -6.993 5.720 1.00 41.31 H new ATOM 0 HB1 ALA A 64 13.112 -6.733 3.848 1.00 20.24 H new ATOM 0 HB2 ALA A 64 14.654 -5.902 3.531 1.00 20.24 H new ATOM 0 HB3 ALA A 64 14.306 -7.462 2.747 1.00 20.24 H new ATOM 1008 N GLU A 65 13.358 -9.060 6.125 1.00 63.30 N ATOM 1009 CA GLU A 65 12.653 -10.296 6.420 1.00 4.31 C ATOM 1010 C GLU A 65 11.150 -10.110 6.246 1.00 45.52 C ATOM 1011 O GLU A 65 10.586 -9.121 6.695 1.00 44.01 O ATOM 1012 CB GLU A 65 12.944 -10.725 7.857 1.00 61.43 C ATOM 1013 CG GLU A 65 12.808 -12.222 8.083 1.00 4.34 C ATOM 1014 CD GLU A 65 11.722 -12.568 9.082 1.00 60.42 C ATOM 1015 OE1 GLU A 65 10.580 -12.093 8.923 1.00 63.22 O ATOM 1016 OE2 GLU A 65 12.004 -13.317 10.039 1.00 74.33 O ATOM 0 H GLU A 65 13.205 -8.312 6.801 1.00 63.30 H new ATOM 0 HA GLU A 65 12.998 -11.064 5.728 1.00 4.31 H new ATOM 0 HB2 GLU A 65 13.955 -10.416 8.122 1.00 61.43 H new ATOM 0 HB3 GLU A 65 12.264 -10.201 8.529 1.00 61.43 H new ATOM 0 HG2 GLU A 65 12.591 -12.710 7.133 1.00 4.34 H new ATOM 0 HG3 GLU A 65 13.760 -12.620 8.435 1.00 4.34 H new ATOM 1023 N LEU A 66 10.491 -11.057 5.612 1.00 41.41 N ATOM 1024 CA LEU A 66 9.043 -11.004 5.519 1.00 72.03 C ATOM 1025 C LEU A 66 8.434 -12.012 6.477 1.00 11.21 C ATOM 1026 O LEU A 66 8.786 -13.193 6.455 1.00 2.25 O ATOM 1027 CB LEU A 66 8.557 -11.268 4.091 1.00 24.20 C ATOM 1028 CG LEU A 66 8.435 -10.030 3.194 1.00 23.02 C ATOM 1029 CD1 LEU A 66 9.786 -9.361 2.998 1.00 63.02 C ATOM 1030 CD2 LEU A 66 7.827 -10.407 1.851 1.00 60.21 C ATOM 0 H LEU A 66 10.924 -11.862 5.159 1.00 41.41 H new ATOM 0 HA LEU A 66 8.722 -9.999 5.792 1.00 72.03 H new ATOM 0 HB2 LEU A 66 9.241 -11.972 3.617 1.00 24.20 H new ATOM 0 HB3 LEU A 66 7.583 -11.755 4.142 1.00 24.20 H new ATOM 0 HG LEU A 66 7.776 -9.317 3.689 1.00 23.02 H new ATOM 0 HD11 LEU A 66 9.669 -8.486 2.358 1.00 63.02 H new ATOM 0 HD12 LEU A 66 10.183 -9.053 3.965 1.00 63.02 H new ATOM 0 HD13 LEU A 66 10.475 -10.064 2.530 1.00 63.02 H new ATOM 0 HD21 LEU A 66 7.747 -9.518 1.225 1.00 60.21 H new ATOM 0 HD22 LEU A 66 8.463 -11.142 1.357 1.00 60.21 H new ATOM 0 HD23 LEU A 66 6.835 -10.832 2.007 1.00 60.21 H new ATOM 1042 N THR A 67 7.523 -11.544 7.312 1.00 74.51 N ATOM 1043 CA THR A 67 6.985 -12.366 8.382 1.00 42.24 C ATOM 1044 C THR A 67 5.676 -13.036 7.978 1.00 1.30 C ATOM 1045 O THR A 67 5.209 -13.957 8.651 1.00 70.40 O ATOM 1046 CB THR A 67 6.771 -11.533 9.665 1.00 35.12 C ATOM 1047 OG1 THR A 67 6.319 -12.371 10.740 1.00 15.40 O ATOM 1048 CG2 THR A 67 5.764 -10.415 9.424 1.00 52.21 C ATOM 0 H THR A 67 7.140 -10.599 7.270 1.00 74.51 H new ATOM 0 HA THR A 67 7.719 -13.146 8.582 1.00 42.24 H new ATOM 0 HB THR A 67 7.728 -11.088 9.939 1.00 35.12 H new ATOM 0 HG1 THR A 67 5.965 -13.209 10.375 1.00 15.40 H new ATOM 0 HG21 THR A 67 5.630 -9.842 10.342 1.00 52.21 H new ATOM 0 HG22 THR A 67 6.132 -9.758 8.636 1.00 52.21 H new ATOM 0 HG23 THR A 67 4.809 -10.845 9.121 1.00 52.21 H new ATOM 1056 N ALA A 68 5.085 -12.579 6.889 1.00 52.43 N ATOM 1057 CA ALA A 68 3.839 -13.151 6.422 1.00 44.30 C ATOM 1058 C ALA A 68 3.975 -13.644 4.999 1.00 42.13 C ATOM 1059 O ALA A 68 4.411 -12.903 4.116 1.00 62.51 O ATOM 1060 CB ALA A 68 2.714 -12.140 6.513 1.00 75.32 C ATOM 0 H ALA A 68 5.447 -11.817 6.315 1.00 52.43 H new ATOM 0 HA ALA A 68 3.600 -13.998 7.065 1.00 44.30 H new ATOM 0 HB1 ALA A 68 1.789 -12.592 6.157 1.00 75.32 H new ATOM 0 HB2 ALA A 68 2.589 -11.827 7.550 1.00 75.32 H new ATOM 0 HB3 ALA A 68 2.954 -11.273 5.898 1.00 75.32 H new ATOM 1066 N ASP A 69 3.596 -14.887 4.782 1.00 22.23 N ATOM 1067 CA ASP A 69 3.663 -15.484 3.461 1.00 43.22 C ATOM 1068 C ASP A 69 2.414 -16.303 3.185 1.00 44.31 C ATOM 1069 O ASP A 69 2.376 -17.506 3.444 1.00 73.54 O ATOM 1070 CB ASP A 69 4.910 -16.362 3.316 1.00 3.41 C ATOM 1071 CG ASP A 69 4.993 -17.029 1.957 1.00 21.21 C ATOM 1072 OD1 ASP A 69 5.185 -16.313 0.956 1.00 25.23 O ATOM 1073 OD2 ASP A 69 4.896 -18.273 1.887 1.00 11.34 O ATOM 0 H ASP A 69 3.236 -15.508 5.507 1.00 22.23 H new ATOM 0 HA ASP A 69 3.726 -14.677 2.731 1.00 43.22 H new ATOM 0 HB2 ASP A 69 5.800 -15.753 3.474 1.00 3.41 H new ATOM 0 HB3 ASP A 69 4.905 -17.126 4.093 1.00 3.41 H new ATOM 1078 N GLU A 70 1.372 -15.633 2.717 1.00 1.44 N ATOM 1079 CA GLU A 70 0.168 -16.312 2.272 1.00 23.20 C ATOM 1080 C GLU A 70 0.113 -16.244 0.751 1.00 20.05 C ATOM 1081 O GLU A 70 0.462 -15.217 0.169 1.00 1.41 O ATOM 1082 CB GLU A 70 -1.076 -15.649 2.879 1.00 4.12 C ATOM 1083 CG GLU A 70 -1.117 -15.689 4.400 1.00 75.01 C ATOM 1084 CD GLU A 70 -1.478 -17.056 4.948 1.00 30.52 C ATOM 1085 OE1 GLU A 70 -0.640 -17.976 4.879 1.00 14.22 O ATOM 1086 OE2 GLU A 70 -2.607 -17.216 5.455 1.00 55.52 O ATOM 0 H GLU A 70 1.338 -14.617 2.636 1.00 1.44 H new ATOM 0 HA GLU A 70 0.187 -17.352 2.598 1.00 23.20 H new ATOM 0 HB2 GLU A 70 -1.118 -14.610 2.552 1.00 4.12 H new ATOM 0 HB3 GLU A 70 -1.966 -16.143 2.488 1.00 4.12 H new ATOM 0 HG2 GLU A 70 -0.144 -15.392 4.792 1.00 75.01 H new ATOM 0 HG3 GLU A 70 -1.842 -14.957 4.758 1.00 75.01 H new ATOM 1093 N PRO A 71 -0.338 -17.318 0.089 1.00 1.32 N ATOM 1094 CA PRO A 71 -0.351 -17.394 -1.373 1.00 43.13 C ATOM 1095 C PRO A 71 -1.390 -16.470 -1.992 1.00 1.31 C ATOM 1096 O PRO A 71 -2.564 -16.834 -2.125 1.00 51.25 O ATOM 1097 CB PRO A 71 -0.689 -18.863 -1.670 1.00 11.14 C ATOM 1098 CG PRO A 71 -0.580 -19.575 -0.361 1.00 45.34 C ATOM 1099 CD PRO A 71 -0.852 -18.547 0.698 1.00 72.12 C ATOM 0 HA PRO A 71 0.602 -17.077 -1.798 1.00 43.13 H new ATOM 0 HB2 PRO A 71 -1.692 -18.958 -2.085 1.00 11.14 H new ATOM 0 HB3 PRO A 71 -0.000 -19.283 -2.403 1.00 11.14 H new ATOM 0 HG2 PRO A 71 -1.297 -20.394 -0.302 1.00 45.34 H new ATOM 0 HG3 PRO A 71 0.412 -20.010 -0.236 1.00 45.34 H new ATOM 0 HD2 PRO A 71 -1.915 -18.472 0.927 1.00 72.12 H new ATOM 0 HD3 PRO A 71 -0.341 -18.782 1.632 1.00 72.12 H new ATOM 1107 N GLY A 72 -0.953 -15.267 -2.353 1.00 3.04 N ATOM 1108 CA GLY A 72 -1.838 -14.285 -2.951 1.00 1.43 C ATOM 1109 C GLY A 72 -3.038 -13.969 -2.081 1.00 45.11 C ATOM 1110 O GLY A 72 -4.149 -13.809 -2.586 1.00 22.14 O ATOM 0 H GLY A 72 0.011 -14.953 -2.240 1.00 3.04 H new ATOM 0 HA2 GLY A 72 -1.280 -13.368 -3.140 1.00 1.43 H new ATOM 0 HA3 GLY A 72 -2.182 -14.654 -3.917 1.00 1.43 H new ATOM 1114 N LYS A 73 -2.826 -13.894 -0.774 1.00 43.45 N ATOM 1115 CA LYS A 73 -3.920 -13.615 0.146 1.00 63.33 C ATOM 1116 C LYS A 73 -3.573 -12.452 1.067 1.00 21.40 C ATOM 1117 O LYS A 73 -4.383 -11.552 1.268 1.00 32.22 O ATOM 1118 CB LYS A 73 -4.281 -14.860 0.956 1.00 34.21 C ATOM 1119 CG LYS A 73 -5.540 -14.684 1.785 1.00 3.20 C ATOM 1120 CD LYS A 73 -6.070 -16.012 2.292 1.00 43.04 C ATOM 1121 CE LYS A 73 -7.382 -15.827 3.034 1.00 1.04 C ATOM 1122 NZ LYS A 73 -8.011 -17.123 3.396 1.00 55.41 N ATOM 0 H LYS A 73 -1.916 -14.021 -0.330 1.00 43.45 H new ATOM 0 HA LYS A 73 -4.791 -13.330 -0.444 1.00 63.33 H new ATOM 0 HB2 LYS A 73 -4.415 -15.702 0.277 1.00 34.21 H new ATOM 0 HB3 LYS A 73 -3.450 -15.111 1.616 1.00 34.21 H new ATOM 0 HG2 LYS A 73 -5.330 -14.030 2.631 1.00 3.20 H new ATOM 0 HG3 LYS A 73 -6.305 -14.193 1.184 1.00 3.20 H new ATOM 0 HD2 LYS A 73 -6.215 -16.694 1.454 1.00 43.04 H new ATOM 0 HD3 LYS A 73 -5.336 -16.472 2.953 1.00 43.04 H new ATOM 0 HE2 LYS A 73 -7.206 -15.245 3.939 1.00 1.04 H new ATOM 0 HE3 LYS A 73 -8.070 -15.252 2.414 1.00 1.04 H new ATOM 0 HZ1 LYS A 73 -8.903 -16.947 3.900 1.00 55.41 H new ATOM 0 HZ2 LYS A 73 -8.204 -17.669 2.532 1.00 55.41 H new ATOM 0 HZ3 LYS A 73 -7.367 -17.662 4.010 1.00 55.41 H new ATOM 1136 N ARG A 74 -2.376 -12.469 1.632 1.00 54.11 N ATOM 1137 CA ARG A 74 -1.897 -11.337 2.412 1.00 74.54 C ATOM 1138 C ARG A 74 -0.383 -11.396 2.513 1.00 33.43 C ATOM 1139 O ARG A 74 0.202 -12.480 2.526 1.00 71.22 O ATOM 1140 CB ARG A 74 -2.524 -11.295 3.816 1.00 62.42 C ATOM 1141 CG ARG A 74 -1.782 -12.122 4.852 1.00 13.51 C ATOM 1142 CD ARG A 74 -2.395 -11.977 6.234 1.00 73.34 C ATOM 1143 NE ARG A 74 -1.602 -12.676 7.243 1.00 12.52 N ATOM 1144 CZ ARG A 74 -1.941 -13.846 7.776 1.00 75.43 C ATOM 1145 NH1 ARG A 74 -3.125 -14.382 7.507 1.00 51.01 N ATOM 1146 NH2 ARG A 74 -1.109 -14.463 8.603 1.00 52.34 N ATOM 0 H ARG A 74 -1.721 -13.248 1.566 1.00 54.11 H new ATOM 0 HA ARG A 74 -2.198 -10.424 1.899 1.00 74.54 H new ATOM 0 HB2 ARG A 74 -2.563 -10.259 4.154 1.00 62.42 H new ATOM 0 HB3 ARG A 74 -3.553 -11.649 3.753 1.00 62.42 H new ATOM 0 HG2 ARG A 74 -1.795 -13.171 4.557 1.00 13.51 H new ATOM 0 HG3 ARG A 74 -0.737 -11.813 4.884 1.00 13.51 H new ATOM 0 HD2 ARG A 74 -2.467 -10.921 6.493 1.00 73.34 H new ATOM 0 HD3 ARG A 74 -3.410 -12.374 6.227 1.00 73.34 H new ATOM 0 HE ARG A 74 -0.735 -12.240 7.558 1.00 12.52 H new ATOM 0 HH11 ARG A 74 -3.776 -13.896 6.891 1.00 51.01 H new ATOM 0 HH12 ARG A 74 -3.383 -15.280 7.917 1.00 51.01 H new ATOM 0 HH21 ARG A 74 -0.209 -14.040 8.830 1.00 52.34 H new ATOM 0 HH22 ARG A 74 -1.369 -15.361 9.012 1.00 52.34 H new ATOM 1160 N ILE A 75 0.245 -10.234 2.567 1.00 53.04 N ATOM 1161 CA ILE A 75 1.692 -10.159 2.654 1.00 73.21 C ATOM 1162 C ILE A 75 2.142 -8.953 3.462 1.00 34.30 C ATOM 1163 O ILE A 75 1.818 -7.809 3.142 1.00 14.05 O ATOM 1164 CB ILE A 75 2.362 -10.163 1.258 1.00 62.35 C ATOM 1165 CG1 ILE A 75 1.382 -9.648 0.195 1.00 64.43 C ATOM 1166 CG2 ILE A 75 2.868 -11.559 0.910 1.00 2.21 C ATOM 1167 CD1 ILE A 75 1.840 -9.852 -1.232 1.00 41.13 C ATOM 0 H ILE A 75 -0.226 -9.329 2.552 1.00 53.04 H new ATOM 0 HA ILE A 75 2.018 -11.058 3.177 1.00 73.21 H new ATOM 0 HB ILE A 75 3.221 -9.492 1.280 1.00 62.35 H new ATOM 0 HG12 ILE A 75 0.423 -10.148 0.330 1.00 64.43 H new ATOM 0 HG13 ILE A 75 1.213 -8.584 0.360 1.00 64.43 H new ATOM 0 HG21 ILE A 75 3.336 -11.542 -0.074 1.00 2.21 H new ATOM 0 HG22 ILE A 75 3.599 -11.877 1.653 1.00 2.21 H new ATOM 0 HG23 ILE A 75 2.031 -12.258 0.902 1.00 2.21 H new ATOM 0 HD11 ILE A 75 1.087 -9.459 -1.915 1.00 41.13 H new ATOM 0 HD12 ILE A 75 2.783 -9.328 -1.390 1.00 41.13 H new ATOM 0 HD13 ILE A 75 1.981 -10.916 -1.420 1.00 41.13 H new ATOM 1179 N ALA A 76 2.868 -9.238 4.533 1.00 32.20 N ATOM 1180 CA ALA A 76 3.390 -8.210 5.411 1.00 11.32 C ATOM 1181 C ALA A 76 4.905 -8.288 5.456 1.00 51.10 C ATOM 1182 O ALA A 76 5.476 -9.315 5.840 1.00 43.20 O ATOM 1183 CB ALA A 76 2.822 -8.365 6.810 1.00 50.11 C ATOM 0 H ALA A 76 3.110 -10.188 4.815 1.00 32.20 H new ATOM 0 HA ALA A 76 3.092 -7.237 5.021 1.00 11.32 H new ATOM 0 HB1 ALA A 76 3.225 -7.584 7.455 1.00 50.11 H new ATOM 0 HB2 ALA A 76 1.736 -8.280 6.773 1.00 50.11 H new ATOM 0 HB3 ALA A 76 3.096 -9.342 7.208 1.00 50.11 H new ATOM 1189 N TRP A 77 5.552 -7.210 5.058 1.00 42.13 N ATOM 1190 CA TRP A 77 7.001 -7.157 5.054 1.00 52.11 C ATOM 1191 C TRP A 77 7.505 -6.426 6.288 1.00 71.34 C ATOM 1192 O TRP A 77 6.872 -5.486 6.770 1.00 62.42 O ATOM 1193 CB TRP A 77 7.520 -6.481 3.777 1.00 2.00 C ATOM 1194 CG TRP A 77 7.004 -5.085 3.568 1.00 42.12 C ATOM 1195 CD1 TRP A 77 7.574 -3.926 4.008 1.00 40.24 C ATOM 1196 CD2 TRP A 77 5.820 -4.702 2.856 1.00 14.34 C ATOM 1197 NE1 TRP A 77 6.815 -2.848 3.622 1.00 50.13 N ATOM 1198 CE2 TRP A 77 5.735 -3.298 2.911 1.00 61.33 C ATOM 1199 CE3 TRP A 77 4.826 -5.410 2.177 1.00 21.24 C ATOM 1200 CZ2 TRP A 77 4.694 -2.590 2.315 1.00 70.34 C ATOM 1201 CZ3 TRP A 77 3.793 -4.706 1.585 1.00 30.50 C ATOM 1202 CH2 TRP A 77 3.735 -3.309 1.657 1.00 73.05 C ATOM 0 H TRP A 77 5.096 -6.357 4.733 1.00 42.13 H new ATOM 0 HA TRP A 77 7.382 -8.178 5.074 1.00 52.11 H new ATOM 0 HB2 TRP A 77 8.609 -6.453 3.811 1.00 2.00 H new ATOM 0 HB3 TRP A 77 7.243 -7.092 2.917 1.00 2.00 H new ATOM 0 HD1 TRP A 77 8.490 -3.865 4.577 1.00 40.24 H new ATOM 0 HE1 TRP A 77 7.022 -1.871 3.831 1.00 50.13 H new ATOM 0 HE3 TRP A 77 4.863 -6.488 2.115 1.00 21.24 H new ATOM 0 HZ2 TRP A 77 4.646 -1.512 2.371 1.00 70.34 H new ATOM 0 HZ3 TRP A 77 3.018 -5.243 1.058 1.00 30.50 H new ATOM 0 HH2 TRP A 77 2.916 -2.789 1.183 1.00 73.05 H new ATOM 1213 N ARG A 78 8.627 -6.883 6.807 1.00 32.01 N ATOM 1214 CA ARG A 78 9.264 -6.241 7.940 1.00 13.22 C ATOM 1215 C ARG A 78 10.755 -6.160 7.676 1.00 14.03 C ATOM 1216 O ARG A 78 11.235 -6.629 6.646 1.00 1.14 O ATOM 1217 CB ARG A 78 8.966 -6.978 9.262 1.00 41.25 C ATOM 1218 CG ARG A 78 9.534 -8.387 9.360 1.00 4.32 C ATOM 1219 CD ARG A 78 9.252 -9.008 10.721 1.00 65.33 C ATOM 1220 NE ARG A 78 9.785 -10.367 10.828 1.00 25.32 N ATOM 1221 CZ ARG A 78 9.680 -11.133 11.915 1.00 61.31 C ATOM 1222 NH1 ARG A 78 9.036 -10.693 12.988 1.00 14.43 N ATOM 1223 NH2 ARG A 78 10.223 -12.344 11.929 1.00 71.41 N ATOM 0 H ARG A 78 9.121 -7.705 6.458 1.00 32.01 H new ATOM 0 HA ARG A 78 8.858 -5.236 8.054 1.00 13.22 H new ATOM 0 HB2 ARG A 78 9.362 -6.386 10.087 1.00 41.25 H new ATOM 0 HB3 ARG A 78 7.885 -7.029 9.396 1.00 41.25 H new ATOM 0 HG2 ARG A 78 9.101 -9.010 8.578 1.00 4.32 H new ATOM 0 HG3 ARG A 78 10.610 -8.360 9.187 1.00 4.32 H new ATOM 0 HD2 ARG A 78 9.690 -8.385 11.501 1.00 65.33 H new ATOM 0 HD3 ARG A 78 8.176 -9.026 10.894 1.00 65.33 H new ATOM 0 HE ARG A 78 10.269 -10.754 10.018 1.00 25.32 H new ATOM 0 HH11 ARG A 78 8.617 -9.763 12.986 1.00 14.43 H new ATOM 0 HH12 ARG A 78 8.960 -11.285 13.815 1.00 14.43 H new ATOM 0 HH21 ARG A 78 10.721 -12.689 11.108 1.00 71.41 H new ATOM 0 HH22 ARG A 78 10.143 -12.929 12.760 1.00 71.41 H new ATOM 1237 N SER A 79 11.482 -5.530 8.564 1.00 13.11 N ATOM 1238 CA SER A 79 12.909 -5.421 8.401 1.00 5.33 C ATOM 1239 C SER A 79 13.600 -5.774 9.708 1.00 33.44 C ATOM 1240 O SER A 79 13.023 -5.613 10.787 1.00 42.13 O ATOM 1241 CB SER A 79 13.287 -4.007 7.942 1.00 33.51 C ATOM 1242 OG SER A 79 12.658 -3.693 6.707 1.00 5.22 O ATOM 0 H SER A 79 11.111 -5.086 9.404 1.00 13.11 H new ATOM 0 HA SER A 79 13.239 -6.121 7.633 1.00 5.33 H new ATOM 0 HB2 SER A 79 12.991 -3.282 8.701 1.00 33.51 H new ATOM 0 HB3 SER A 79 14.369 -3.932 7.834 1.00 33.51 H new ATOM 0 HG SER A 79 12.869 -2.769 6.458 1.00 5.22 H new ATOM 1248 N LEU A 80 14.821 -6.271 9.608 1.00 11.44 N ATOM 1249 CA LEU A 80 15.577 -6.688 10.778 1.00 74.35 C ATOM 1250 C LEU A 80 15.947 -5.475 11.628 1.00 63.11 C ATOM 1251 O LEU A 80 15.996 -4.357 11.118 1.00 15.44 O ATOM 1252 CB LEU A 80 16.827 -7.441 10.325 1.00 41.31 C ATOM 1253 CG LEU A 80 16.550 -8.610 9.379 1.00 44.21 C ATOM 1254 CD1 LEU A 80 17.847 -9.240 8.916 1.00 11.54 C ATOM 1255 CD2 LEU A 80 15.660 -9.644 10.046 1.00 1.31 C ATOM 0 H LEU A 80 15.313 -6.396 8.723 1.00 11.44 H new ATOM 0 HA LEU A 80 14.968 -7.351 11.392 1.00 74.35 H new ATOM 0 HB2 LEU A 80 17.500 -6.740 9.830 1.00 41.31 H new ATOM 0 HB3 LEU A 80 17.349 -7.817 11.205 1.00 41.31 H new ATOM 0 HG LEU A 80 16.025 -8.224 8.505 1.00 44.21 H new ATOM 0 HD11 LEU A 80 17.629 -10.070 8.244 1.00 11.54 H new ATOM 0 HD12 LEU A 80 18.446 -8.496 8.391 1.00 11.54 H new ATOM 0 HD13 LEU A 80 18.401 -9.608 9.779 1.00 11.54 H new ATOM 0 HD21 LEU A 80 15.476 -10.466 9.355 1.00 1.31 H new ATOM 0 HD22 LEU A 80 16.153 -10.025 10.941 1.00 1.31 H new ATOM 0 HD23 LEU A 80 14.711 -9.184 10.322 1.00 1.31 H new ATOM 1267 N PRO A 81 16.209 -5.676 12.932 1.00 24.00 N ATOM 1268 CA PRO A 81 16.514 -4.578 13.864 1.00 42.21 C ATOM 1269 C PRO A 81 17.709 -3.727 13.428 1.00 2.35 C ATOM 1270 O PRO A 81 17.844 -2.576 13.840 1.00 20.33 O ATOM 1271 CB PRO A 81 16.831 -5.296 15.178 1.00 32.13 C ATOM 1272 CG PRO A 81 16.150 -6.614 15.066 1.00 51.44 C ATOM 1273 CD PRO A 81 16.212 -6.984 13.613 1.00 61.23 C ATOM 0 HA PRO A 81 15.682 -3.876 13.927 1.00 42.21 H new ATOM 0 HB2 PRO A 81 17.906 -5.417 15.313 1.00 32.13 H new ATOM 0 HB3 PRO A 81 16.463 -4.732 16.035 1.00 32.13 H new ATOM 0 HG2 PRO A 81 16.646 -7.364 15.682 1.00 51.44 H new ATOM 0 HG3 PRO A 81 15.118 -6.551 15.410 1.00 51.44 H new ATOM 0 HD2 PRO A 81 17.110 -7.557 13.381 1.00 61.23 H new ATOM 0 HD3 PRO A 81 15.359 -7.595 13.316 1.00 61.23 H new ATOM 1281 N GLY A 82 18.567 -4.290 12.586 1.00 10.13 N ATOM 1282 CA GLY A 82 19.735 -3.567 12.122 1.00 35.23 C ATOM 1283 C GLY A 82 19.518 -2.910 10.775 1.00 64.54 C ATOM 1284 O GLY A 82 20.468 -2.432 10.150 1.00 14.32 O ATOM 0 H GLY A 82 18.474 -5.236 12.216 1.00 10.13 H new ATOM 0 HA2 GLY A 82 20.001 -2.805 12.855 1.00 35.23 H new ATOM 0 HA3 GLY A 82 20.579 -4.253 12.055 1.00 35.23 H new ATOM 1288 N ALA A 83 18.272 -2.884 10.321 1.00 32.11 N ATOM 1289 CA ALA A 83 17.946 -2.292 9.035 1.00 0.12 C ATOM 1290 C ALA A 83 16.680 -1.450 9.124 1.00 0.21 C ATOM 1291 O ALA A 83 15.738 -1.799 9.833 1.00 33.52 O ATOM 1292 CB ALA A 83 17.783 -3.379 7.981 1.00 20.35 C ATOM 0 H ALA A 83 17.472 -3.266 10.826 1.00 32.11 H new ATOM 0 HA ALA A 83 18.768 -1.637 8.745 1.00 0.12 H new ATOM 0 HB1 ALA A 83 17.539 -2.922 7.022 1.00 20.35 H new ATOM 0 HB2 ALA A 83 18.713 -3.940 7.890 1.00 20.35 H new ATOM 0 HB3 ALA A 83 16.980 -4.054 8.276 1.00 20.35 H new ATOM 1298 N ARG A 84 16.669 -0.333 8.412 1.00 62.25 N ATOM 1299 CA ARG A 84 15.490 0.519 8.338 1.00 21.34 C ATOM 1300 C ARG A 84 15.014 0.615 6.891 1.00 73.22 C ATOM 1301 O ARG A 84 14.620 1.678 6.411 1.00 2.12 O ATOM 1302 CB ARG A 84 15.776 1.909 8.940 1.00 30.11 C ATOM 1303 CG ARG A 84 17.140 2.510 8.595 1.00 64.41 C ATOM 1304 CD ARG A 84 17.222 2.983 7.152 1.00 64.13 C ATOM 1305 NE ARG A 84 18.453 3.726 6.885 1.00 74.15 N ATOM 1306 CZ ARG A 84 18.933 3.968 5.666 1.00 53.41 C ATOM 1307 NH1 ARG A 84 18.301 3.512 4.592 1.00 52.22 N ATOM 1308 NH2 ARG A 84 20.044 4.674 5.520 1.00 24.24 N ATOM 0 H ARG A 84 17.467 0.006 7.875 1.00 62.25 H new ATOM 0 HA ARG A 84 14.691 0.075 8.931 1.00 21.34 H new ATOM 0 HB2 ARG A 84 15.000 2.597 8.604 1.00 30.11 H new ATOM 0 HB3 ARG A 84 15.693 1.840 10.025 1.00 30.11 H new ATOM 0 HG2 ARG A 84 17.342 3.349 9.261 1.00 64.41 H new ATOM 0 HG3 ARG A 84 17.917 1.766 8.775 1.00 64.41 H new ATOM 0 HD2 ARG A 84 17.167 2.122 6.485 1.00 64.13 H new ATOM 0 HD3 ARG A 84 16.362 3.615 6.929 1.00 64.13 H new ATOM 0 HE ARG A 84 18.978 4.082 7.684 1.00 74.15 H new ATOM 0 HH11 ARG A 84 17.442 2.972 4.697 1.00 52.22 H new ATOM 0 HH12 ARG A 84 18.674 3.701 3.662 1.00 52.22 H new ATOM 0 HH21 ARG A 84 20.532 5.032 6.341 1.00 24.24 H new ATOM 0 HH22 ARG A 84 20.412 4.859 4.587 1.00 24.24 H new ATOM 1322 N ILE A 85 15.039 -0.523 6.214 1.00 74.24 N ATOM 1323 CA ILE A 85 14.706 -0.594 4.797 1.00 2.22 C ATOM 1324 C ILE A 85 13.195 -0.546 4.573 1.00 65.43 C ATOM 1325 O ILE A 85 12.465 -1.416 5.055 1.00 51.50 O ATOM 1326 CB ILE A 85 15.265 -1.892 4.165 1.00 22.30 C ATOM 1327 CG1 ILE A 85 16.773 -2.009 4.418 1.00 74.11 C ATOM 1328 CG2 ILE A 85 14.969 -1.936 2.671 1.00 52.24 C ATOM 1329 CD1 ILE A 85 17.579 -0.855 3.863 1.00 74.53 C ATOM 0 H ILE A 85 15.290 -1.421 6.628 1.00 74.24 H new ATOM 0 HA ILE A 85 15.162 0.273 4.320 1.00 2.22 H new ATOM 0 HB ILE A 85 14.770 -2.741 4.636 1.00 22.30 H new ATOM 0 HG12 ILE A 85 16.947 -2.078 5.492 1.00 74.11 H new ATOM 0 HG13 ILE A 85 17.135 -2.938 3.976 1.00 74.11 H new ATOM 0 HG21 ILE A 85 15.371 -2.856 2.247 1.00 52.24 H new ATOM 0 HG22 ILE A 85 13.891 -1.904 2.513 1.00 52.24 H new ATOM 0 HG23 ILE A 85 15.433 -1.079 2.183 1.00 52.24 H new ATOM 0 HD11 ILE A 85 18.635 -1.010 4.082 1.00 74.53 H new ATOM 0 HD12 ILE A 85 17.437 -0.798 2.784 1.00 74.53 H new ATOM 0 HD13 ILE A 85 17.246 0.076 4.323 1.00 74.53 H new ATOM 1341 N GLU A 86 12.748 0.495 3.861 1.00 65.24 N ATOM 1342 CA GLU A 86 11.359 0.619 3.400 1.00 64.40 C ATOM 1343 C GLU A 86 10.381 0.877 4.556 1.00 32.32 C ATOM 1344 O GLU A 86 10.645 0.542 5.714 1.00 24.14 O ATOM 1345 CB GLU A 86 10.953 -0.639 2.609 1.00 75.41 C ATOM 1346 CG GLU A 86 9.605 -0.531 1.911 1.00 52.13 C ATOM 1347 CD GLU A 86 9.525 0.664 0.982 1.00 63.55 C ATOM 1348 OE1 GLU A 86 9.147 1.752 1.449 1.00 54.20 O ATOM 1349 OE2 GLU A 86 9.849 0.520 -0.216 1.00 75.23 O ATOM 0 H GLU A 86 13.341 1.278 3.587 1.00 65.24 H new ATOM 0 HA GLU A 86 11.305 1.488 2.744 1.00 64.40 H new ATOM 0 HB2 GLU A 86 11.720 -0.848 1.863 1.00 75.41 H new ATOM 0 HB3 GLU A 86 10.930 -1.490 3.289 1.00 75.41 H new ATOM 0 HG2 GLU A 86 9.420 -1.442 1.342 1.00 52.13 H new ATOM 0 HG3 GLU A 86 8.817 -0.458 2.660 1.00 52.13 H new ATOM 1356 N ASN A 87 9.257 1.506 4.229 1.00 34.21 N ATOM 1357 CA ASN A 87 8.184 1.716 5.190 1.00 13.13 C ATOM 1358 C ASN A 87 7.494 0.389 5.454 1.00 63.25 C ATOM 1359 O ASN A 87 7.213 -0.360 4.522 1.00 63.13 O ATOM 1360 CB ASN A 87 7.165 2.733 4.660 1.00 14.43 C ATOM 1361 CG ASN A 87 7.749 4.124 4.480 1.00 13.54 C ATOM 1362 OD1 ASN A 87 8.294 4.454 3.428 1.00 70.31 O ATOM 1363 ND2 ASN A 87 7.620 4.959 5.500 1.00 64.52 N ATOM 0 H ASN A 87 9.066 1.881 3.300 1.00 34.21 H new ATOM 0 HA ASN A 87 8.608 2.110 6.114 1.00 13.13 H new ATOM 0 HB2 ASN A 87 6.775 2.383 3.704 1.00 14.43 H new ATOM 0 HB3 ASN A 87 6.322 2.786 5.349 1.00 14.43 H new ATOM 0 HD21 ASN A 87 7.979 5.911 5.428 1.00 64.52 H new ATOM 0 HD22 ASN A 87 7.162 4.650 6.357 1.00 64.52 H new ATOM 1370 N SER A 88 7.215 0.097 6.711 1.00 11.34 N ATOM 1371 CA SER A 88 6.662 -1.196 7.070 1.00 54.53 C ATOM 1372 C SER A 88 5.138 -1.142 7.153 1.00 43.14 C ATOM 1373 O SER A 88 4.550 -0.121 7.538 1.00 14.32 O ATOM 1374 CB SER A 88 7.257 -1.667 8.397 1.00 21.22 C ATOM 1375 OG SER A 88 8.678 -1.692 8.333 1.00 22.32 O ATOM 0 H SER A 88 7.361 0.732 7.495 1.00 11.34 H new ATOM 0 HA SER A 88 6.925 -1.910 6.290 1.00 54.53 H new ATOM 0 HB2 SER A 88 6.936 -1.004 9.200 1.00 21.22 H new ATOM 0 HB3 SER A 88 6.882 -2.662 8.636 1.00 21.22 H new ATOM 0 HG SER A 88 9.039 -1.994 9.192 1.00 22.32 H new ATOM 1381 N GLY A 89 4.513 -2.244 6.757 1.00 62.54 N ATOM 1382 CA GLY A 89 3.068 -2.344 6.767 1.00 44.21 C ATOM 1383 C GLY A 89 2.601 -3.737 6.397 1.00 74.24 C ATOM 1384 O GLY A 89 3.401 -4.676 6.373 1.00 64.50 O ATOM 0 H GLY A 89 4.991 -3.081 6.425 1.00 62.54 H new ATOM 0 HA2 GLY A 89 2.692 -2.085 7.757 1.00 44.21 H new ATOM 0 HA3 GLY A 89 2.648 -1.621 6.067 1.00 44.21 H new ATOM 1388 N GLU A 90 1.316 -3.873 6.101 1.00 31.43 N ATOM 1389 CA GLU A 90 0.736 -5.166 5.755 1.00 73.31 C ATOM 1390 C GLU A 90 -0.361 -4.991 4.712 1.00 63.13 C ATOM 1391 O GLU A 90 -1.170 -4.067 4.807 1.00 60.23 O ATOM 1392 CB GLU A 90 0.169 -5.842 7.008 1.00 25.04 C ATOM 1393 CG GLU A 90 -0.477 -7.193 6.742 1.00 40.11 C ATOM 1394 CD GLU A 90 -0.998 -7.843 8.006 1.00 13.22 C ATOM 1395 OE1 GLU A 90 -2.139 -7.536 8.410 1.00 22.23 O ATOM 1396 OE2 GLU A 90 -0.270 -8.660 8.602 1.00 3.43 O ATOM 0 H GLU A 90 0.651 -3.100 6.093 1.00 31.43 H new ATOM 0 HA GLU A 90 1.518 -5.799 5.336 1.00 73.31 H new ATOM 0 HB2 GLU A 90 0.972 -5.971 7.734 1.00 25.04 H new ATOM 0 HB3 GLU A 90 -0.569 -5.181 7.463 1.00 25.04 H new ATOM 0 HG2 GLU A 90 -1.298 -7.067 6.036 1.00 40.11 H new ATOM 0 HG3 GLU A 90 0.250 -7.854 6.270 1.00 40.11 H new ATOM 1403 N VAL A 91 -0.381 -5.863 3.710 1.00 44.00 N ATOM 1404 CA VAL A 91 -1.393 -5.787 2.670 1.00 61.42 C ATOM 1405 C VAL A 91 -2.214 -7.074 2.620 1.00 45.33 C ATOM 1406 O VAL A 91 -1.668 -8.179 2.710 1.00 64.13 O ATOM 1407 CB VAL A 91 -0.766 -5.508 1.279 1.00 54.21 C ATOM 1408 CG1 VAL A 91 0.286 -4.423 1.379 1.00 14.11 C ATOM 1409 CG2 VAL A 91 -0.168 -6.757 0.660 1.00 15.23 C ATOM 0 H VAL A 91 0.288 -6.625 3.598 1.00 44.00 H new ATOM 0 HA VAL A 91 -2.050 -4.953 2.919 1.00 61.42 H new ATOM 0 HB VAL A 91 -1.571 -5.170 0.626 1.00 54.21 H new ATOM 0 HG11 VAL A 91 0.715 -4.240 0.394 1.00 14.11 H new ATOM 0 HG12 VAL A 91 -0.171 -3.506 1.751 1.00 14.11 H new ATOM 0 HG13 VAL A 91 1.072 -4.740 2.064 1.00 14.11 H new ATOM 0 HG21 VAL A 91 0.259 -6.512 -0.313 1.00 15.23 H new ATOM 0 HG22 VAL A 91 0.614 -7.148 1.312 1.00 15.23 H new ATOM 0 HG23 VAL A 91 -0.946 -7.510 0.536 1.00 15.23 H new ATOM 1419 N LEU A 92 -3.527 -6.929 2.538 1.00 24.52 N ATOM 1420 CA LEU A 92 -4.414 -8.068 2.377 1.00 35.01 C ATOM 1421 C LEU A 92 -5.096 -8.016 1.017 1.00 51.23 C ATOM 1422 O LEU A 92 -5.537 -6.952 0.575 1.00 3.42 O ATOM 1423 CB LEU A 92 -5.477 -8.091 3.476 1.00 75.22 C ATOM 1424 CG LEU A 92 -5.042 -8.645 4.838 1.00 2.43 C ATOM 1425 CD1 LEU A 92 -3.852 -7.892 5.410 1.00 44.24 C ATOM 1426 CD2 LEU A 92 -6.200 -8.571 5.807 1.00 25.31 C ATOM 0 H LEU A 92 -4.003 -6.028 2.581 1.00 24.52 H new ATOM 0 HA LEU A 92 -3.813 -8.974 2.449 1.00 35.01 H new ATOM 0 HB2 LEU A 92 -5.839 -7.073 3.622 1.00 75.22 H new ATOM 0 HB3 LEU A 92 -6.321 -8.682 3.121 1.00 75.22 H new ATOM 0 HG LEU A 92 -4.737 -9.681 4.690 1.00 2.43 H new ATOM 0 HD11 LEU A 92 -3.580 -8.320 6.375 1.00 44.24 H new ATOM 0 HD12 LEU A 92 -3.007 -7.973 4.726 1.00 44.24 H new ATOM 0 HD13 LEU A 92 -4.114 -6.842 5.540 1.00 44.24 H new ATOM 0 HD21 LEU A 92 -5.890 -8.965 6.775 1.00 25.31 H new ATOM 0 HD22 LEU A 92 -6.513 -7.533 5.921 1.00 25.31 H new ATOM 0 HD23 LEU A 92 -7.033 -9.161 5.425 1.00 25.31 H new ATOM 1438 N PHE A 93 -5.177 -9.164 0.365 1.00 60.24 N ATOM 1439 CA PHE A 93 -5.840 -9.277 -0.921 1.00 54.14 C ATOM 1440 C PHE A 93 -7.191 -9.959 -0.755 1.00 53.20 C ATOM 1441 O PHE A 93 -7.267 -11.163 -0.505 1.00 43.41 O ATOM 1442 CB PHE A 93 -4.965 -10.054 -1.910 1.00 0.43 C ATOM 1443 CG PHE A 93 -3.735 -9.306 -2.329 1.00 51.54 C ATOM 1444 CD1 PHE A 93 -3.823 -8.258 -3.227 1.00 41.15 C ATOM 1445 CD2 PHE A 93 -2.494 -9.646 -1.819 1.00 12.21 C ATOM 1446 CE1 PHE A 93 -2.694 -7.563 -3.613 1.00 70.12 C ATOM 1447 CE2 PHE A 93 -1.362 -8.953 -2.200 1.00 25.10 C ATOM 1448 CZ PHE A 93 -1.463 -7.910 -3.098 1.00 1.43 C ATOM 0 H PHE A 93 -4.786 -10.040 0.712 1.00 60.24 H new ATOM 0 HA PHE A 93 -6.000 -8.276 -1.320 1.00 54.14 H new ATOM 0 HB2 PHE A 93 -4.670 -11.000 -1.457 1.00 0.43 H new ATOM 0 HB3 PHE A 93 -5.555 -10.294 -2.795 1.00 0.43 H new ATOM 0 HD1 PHE A 93 -4.785 -7.980 -3.631 1.00 41.15 H new ATOM 0 HD2 PHE A 93 -2.410 -10.462 -1.116 1.00 12.21 H new ATOM 0 HE1 PHE A 93 -2.775 -6.748 -4.318 1.00 70.12 H new ATOM 0 HE2 PHE A 93 -0.399 -9.227 -1.796 1.00 25.10 H new ATOM 0 HZ PHE A 93 -0.579 -7.366 -3.397 1.00 1.43 H new ATOM 1458 N ARG A 94 -8.255 -9.180 -0.867 1.00 30.31 N ATOM 1459 CA ARG A 94 -9.598 -9.695 -0.652 1.00 64.34 C ATOM 1460 C ARG A 94 -10.432 -9.593 -1.921 1.00 40.40 C ATOM 1461 O ARG A 94 -10.274 -8.654 -2.702 1.00 22.33 O ATOM 1462 CB ARG A 94 -10.278 -8.928 0.486 1.00 73.41 C ATOM 1463 CG ARG A 94 -9.595 -9.110 1.833 1.00 23.43 C ATOM 1464 CD ARG A 94 -10.258 -8.275 2.917 1.00 73.25 C ATOM 1465 NE ARG A 94 -11.656 -8.648 3.127 1.00 61.10 N ATOM 1466 CZ ARG A 94 -12.360 -8.315 4.209 1.00 42.13 C ATOM 1467 NH1 ARG A 94 -11.789 -7.633 5.192 1.00 44.21 N ATOM 1468 NH2 ARG A 94 -13.637 -8.667 4.308 1.00 43.53 N ATOM 0 H ARG A 94 -8.215 -8.189 -1.105 1.00 30.31 H new ATOM 0 HA ARG A 94 -9.520 -10.748 -0.380 1.00 64.34 H new ATOM 0 HB2 ARG A 94 -10.297 -7.867 0.238 1.00 73.41 H new ATOM 0 HB3 ARG A 94 -11.315 -9.256 0.566 1.00 73.41 H new ATOM 0 HG2 ARG A 94 -9.623 -10.162 2.116 1.00 23.43 H new ATOM 0 HG3 ARG A 94 -8.545 -8.830 1.749 1.00 23.43 H new ATOM 0 HD2 ARG A 94 -9.708 -8.393 3.851 1.00 73.25 H new ATOM 0 HD3 ARG A 94 -10.202 -7.221 2.646 1.00 73.25 H new ATOM 0 HE ARG A 94 -12.120 -9.196 2.402 1.00 61.10 H new ATOM 0 HH11 ARG A 94 -10.808 -7.362 5.122 1.00 44.21 H new ATOM 0 HH12 ARG A 94 -12.330 -7.380 6.019 1.00 44.21 H new ATOM 0 HH21 ARG A 94 -14.081 -9.193 3.555 1.00 43.53 H new ATOM 0 HH22 ARG A 94 -14.174 -8.411 5.137 1.00 43.53 H new ATOM 1482 N PRO A 95 -11.325 -10.566 -2.150 1.00 12.34 N ATOM 1483 CA PRO A 95 -12.229 -10.552 -3.303 1.00 74.43 C ATOM 1484 C PRO A 95 -13.160 -9.343 -3.277 1.00 64.41 C ATOM 1485 O PRO A 95 -13.708 -8.992 -2.227 1.00 5.45 O ATOM 1486 CB PRO A 95 -13.031 -11.851 -3.156 1.00 64.11 C ATOM 1487 CG PRO A 95 -12.879 -12.244 -1.726 1.00 10.25 C ATOM 1488 CD PRO A 95 -11.523 -11.756 -1.307 1.00 14.12 C ATOM 0 HA PRO A 95 -11.688 -10.485 -4.247 1.00 74.43 H new ATOM 0 HB2 PRO A 95 -14.079 -11.698 -3.413 1.00 64.11 H new ATOM 0 HB3 PRO A 95 -12.650 -12.627 -3.820 1.00 64.11 H new ATOM 0 HG2 PRO A 95 -13.662 -11.797 -1.113 1.00 10.25 H new ATOM 0 HG3 PRO A 95 -12.959 -13.325 -1.607 1.00 10.25 H new ATOM 0 HD2 PRO A 95 -11.493 -11.509 -0.246 1.00 14.12 H new ATOM 0 HD3 PRO A 95 -10.752 -12.507 -1.481 1.00 14.12 H new ATOM 1496 N ALA A 96 -13.328 -8.699 -4.421 1.00 43.11 N ATOM 1497 CA ALA A 96 -14.172 -7.519 -4.504 1.00 61.44 C ATOM 1498 C ALA A 96 -15.498 -7.842 -5.184 1.00 2.14 C ATOM 1499 O ALA A 96 -15.539 -8.636 -6.124 1.00 53.11 O ATOM 1500 CB ALA A 96 -13.452 -6.411 -5.248 1.00 45.43 C ATOM 0 H ALA A 96 -12.893 -8.973 -5.302 1.00 43.11 H new ATOM 0 HA ALA A 96 -14.386 -7.181 -3.490 1.00 61.44 H new ATOM 0 HB1 ALA A 96 -14.095 -5.533 -5.303 1.00 45.43 H new ATOM 0 HB2 ALA A 96 -12.533 -6.156 -4.720 1.00 45.43 H new ATOM 0 HB3 ALA A 96 -13.210 -6.747 -6.256 1.00 45.43 H new ATOM 1506 N PRO A 97 -16.591 -7.221 -4.720 1.00 23.21 N ATOM 1507 CA PRO A 97 -17.932 -7.419 -5.285 1.00 12.13 C ATOM 1508 C PRO A 97 -18.033 -6.939 -6.728 1.00 23.02 C ATOM 1509 O PRO A 97 -17.324 -6.016 -7.140 1.00 75.22 O ATOM 1510 CB PRO A 97 -18.839 -6.572 -4.384 1.00 41.12 C ATOM 1511 CG PRO A 97 -18.045 -6.332 -3.147 1.00 2.35 C ATOM 1512 CD PRO A 97 -16.614 -6.286 -3.587 1.00 63.42 C ATOM 0 HA PRO A 97 -18.201 -8.475 -5.312 1.00 12.13 H new ATOM 0 HB2 PRO A 97 -19.108 -5.633 -4.868 1.00 41.12 H new ATOM 0 HB3 PRO A 97 -19.769 -7.094 -4.160 1.00 41.12 H new ATOM 0 HG2 PRO A 97 -18.338 -5.397 -2.669 1.00 2.35 H new ATOM 0 HG3 PRO A 97 -18.205 -7.127 -2.418 1.00 2.35 H new ATOM 0 HD2 PRO A 97 -16.315 -5.281 -3.886 1.00 63.42 H new ATOM 0 HD3 PRO A 97 -15.936 -6.597 -2.792 1.00 63.42 H new ATOM 1520 N GLY A 98 -18.906 -7.578 -7.495 1.00 61.44 N ATOM 1521 CA GLY A 98 -19.110 -7.193 -8.877 1.00 25.41 C ATOM 1522 C GLY A 98 -18.006 -7.703 -9.780 1.00 70.53 C ATOM 1523 O GLY A 98 -17.917 -7.307 -10.946 1.00 12.34 O ATOM 0 H GLY A 98 -19.480 -8.361 -7.182 1.00 61.44 H new ATOM 0 HA2 GLY A 98 -20.068 -7.580 -9.223 1.00 25.41 H new ATOM 0 HA3 GLY A 98 -19.161 -6.106 -8.946 1.00 25.41 H new ATOM 1527 N ALA A 99 -17.172 -8.586 -9.230 1.00 62.41 N ATOM 1528 CA ALA A 99 -16.044 -9.169 -9.953 1.00 53.34 C ATOM 1529 C ALA A 99 -15.100 -8.091 -10.477 1.00 54.31 C ATOM 1530 O ALA A 99 -14.525 -8.229 -11.559 1.00 70.05 O ATOM 1531 CB ALA A 99 -16.541 -10.053 -11.087 1.00 35.42 C ATOM 0 H ALA A 99 -17.261 -8.917 -8.269 1.00 62.41 H new ATOM 0 HA ALA A 99 -15.479 -9.786 -9.254 1.00 53.34 H new ATOM 0 HB1 ALA A 99 -15.689 -10.480 -11.616 1.00 35.42 H new ATOM 0 HB2 ALA A 99 -17.155 -10.856 -10.680 1.00 35.42 H new ATOM 0 HB3 ALA A 99 -17.136 -9.457 -11.779 1.00 35.42 H new ATOM 1537 N ARG A 100 -14.946 -7.015 -9.705 1.00 14.35 N ATOM 1538 CA ARG A 100 -14.013 -5.942 -10.056 1.00 53.55 C ATOM 1539 C ARG A 100 -12.596 -6.481 -10.185 1.00 0.41 C ATOM 1540 O ARG A 100 -11.839 -6.072 -11.062 1.00 22.24 O ATOM 1541 CB ARG A 100 -14.040 -4.838 -8.997 1.00 4.31 C ATOM 1542 CG ARG A 100 -15.263 -3.943 -9.062 1.00 43.22 C ATOM 1543 CD ARG A 100 -14.892 -2.532 -9.488 1.00 20.14 C ATOM 1544 NE ARG A 100 -14.467 -2.462 -10.889 1.00 44.53 N ATOM 1545 CZ ARG A 100 -13.327 -1.898 -11.300 1.00 64.43 C ATOM 1546 NH1 ARG A 100 -12.446 -1.442 -10.414 1.00 35.13 N ATOM 1547 NH2 ARG A 100 -13.069 -1.800 -12.599 1.00 64.51 N ATOM 0 H ARG A 100 -15.454 -6.863 -8.834 1.00 14.35 H new ATOM 0 HA ARG A 100 -14.326 -5.529 -11.015 1.00 53.55 H new ATOM 0 HB2 ARG A 100 -13.991 -5.296 -8.009 1.00 4.31 H new ATOM 0 HB3 ARG A 100 -13.147 -4.223 -9.107 1.00 4.31 H new ATOM 0 HG2 ARG A 100 -15.984 -4.360 -9.765 1.00 43.22 H new ATOM 0 HG3 ARG A 100 -15.748 -3.915 -8.086 1.00 43.22 H new ATOM 0 HD2 ARG A 100 -15.748 -1.874 -9.338 1.00 20.14 H new ATOM 0 HD3 ARG A 100 -14.090 -2.162 -8.849 1.00 20.14 H new ATOM 0 HE ARG A 100 -15.080 -2.870 -11.595 1.00 44.53 H new ATOM 0 HH11 ARG A 100 -12.639 -1.522 -9.416 1.00 35.13 H new ATOM 0 HH12 ARG A 100 -11.578 -1.012 -10.733 1.00 35.13 H new ATOM 0 HH21 ARG A 100 -13.740 -2.155 -13.280 1.00 64.51 H new ATOM 0 HH22 ARG A 100 -12.200 -1.370 -12.915 1.00 64.51 H new ATOM 1561 N GLY A 101 -12.254 -7.407 -9.305 1.00 31.35 N ATOM 1562 CA GLY A 101 -10.928 -7.981 -9.299 1.00 15.54 C ATOM 1563 C GLY A 101 -10.525 -8.383 -7.904 1.00 51.41 C ATOM 1564 O GLY A 101 -11.197 -9.204 -7.272 1.00 32.54 O ATOM 0 H GLY A 101 -12.879 -7.774 -8.588 1.00 31.35 H new ATOM 0 HA2 GLY A 101 -10.901 -8.851 -9.955 1.00 15.54 H new ATOM 0 HA3 GLY A 101 -10.213 -7.260 -9.695 1.00 15.54 H new ATOM 1568 N THR A 102 -9.449 -7.800 -7.416 1.00 33.40 N ATOM 1569 CA THR A 102 -9.015 -8.033 -6.053 1.00 72.01 C ATOM 1570 C THR A 102 -8.779 -6.708 -5.337 1.00 24.12 C ATOM 1571 O THR A 102 -8.092 -5.822 -5.851 1.00 74.44 O ATOM 1572 CB THR A 102 -7.743 -8.901 -6.015 1.00 61.24 C ATOM 1573 OG1 THR A 102 -8.011 -10.161 -6.642 1.00 11.02 O ATOM 1574 CG2 THR A 102 -7.278 -9.136 -4.586 1.00 22.13 C ATOM 0 H THR A 102 -8.857 -7.159 -7.945 1.00 33.40 H new ATOM 0 HA THR A 102 -9.806 -8.575 -5.535 1.00 72.01 H new ATOM 0 HB THR A 102 -6.952 -8.375 -6.549 1.00 61.24 H new ATOM 0 HG1 THR A 102 -7.405 -10.284 -7.402 1.00 11.02 H new ATOM 0 HG21 THR A 102 -6.379 -9.752 -4.593 1.00 22.13 H new ATOM 0 HG22 THR A 102 -7.059 -8.179 -4.113 1.00 22.13 H new ATOM 0 HG23 THR A 102 -8.063 -9.646 -4.027 1.00 22.13 H new ATOM 1582 N GLU A 103 -9.394 -6.569 -4.176 1.00 2.10 N ATOM 1583 CA GLU A 103 -9.262 -5.382 -3.360 1.00 11.12 C ATOM 1584 C GLU A 103 -8.005 -5.470 -2.500 1.00 40.20 C ATOM 1585 O GLU A 103 -7.896 -6.341 -1.634 1.00 22.20 O ATOM 1586 CB GLU A 103 -10.507 -5.239 -2.483 1.00 1.41 C ATOM 1587 CG GLU A 103 -10.471 -4.060 -1.529 1.00 74.02 C ATOM 1588 CD GLU A 103 -11.707 -3.984 -0.654 1.00 11.15 C ATOM 1589 OE1 GLU A 103 -11.848 -4.818 0.267 1.00 23.24 O ATOM 1590 OE2 GLU A 103 -12.547 -3.089 -0.876 1.00 42.41 O ATOM 0 H GLU A 103 -10.002 -7.282 -3.773 1.00 2.10 H new ATOM 0 HA GLU A 103 -9.171 -4.505 -4.000 1.00 11.12 H new ATOM 0 HB2 GLU A 103 -11.381 -5.143 -3.127 1.00 1.41 H new ATOM 0 HB3 GLU A 103 -10.636 -6.154 -1.905 1.00 1.41 H new ATOM 0 HG2 GLU A 103 -9.586 -4.135 -0.897 1.00 74.02 H new ATOM 0 HG3 GLU A 103 -10.377 -3.137 -2.101 1.00 74.02 H new ATOM 1597 N VAL A 104 -7.052 -4.587 -2.760 1.00 1.13 N ATOM 1598 CA VAL A 104 -5.831 -4.536 -1.976 1.00 35.33 C ATOM 1599 C VAL A 104 -5.911 -3.430 -0.925 1.00 50.32 C ATOM 1600 O VAL A 104 -6.030 -2.245 -1.252 1.00 15.32 O ATOM 1601 CB VAL A 104 -4.568 -4.347 -2.866 1.00 70.32 C ATOM 1602 CG1 VAL A 104 -4.684 -3.153 -3.799 1.00 3.20 C ATOM 1603 CG2 VAL A 104 -3.323 -4.219 -2.005 1.00 2.04 C ATOM 0 H VAL A 104 -7.103 -3.896 -3.509 1.00 1.13 H new ATOM 0 HA VAL A 104 -5.734 -5.498 -1.473 1.00 35.33 H new ATOM 0 HB VAL A 104 -4.487 -5.237 -3.490 1.00 70.32 H new ATOM 0 HG11 VAL A 104 -3.776 -3.068 -4.396 1.00 3.20 H new ATOM 0 HG12 VAL A 104 -5.541 -3.289 -4.459 1.00 3.20 H new ATOM 0 HG13 VAL A 104 -4.818 -2.244 -3.212 1.00 3.20 H new ATOM 0 HG21 VAL A 104 -2.450 -4.088 -2.645 1.00 2.04 H new ATOM 0 HG22 VAL A 104 -3.423 -3.356 -1.346 1.00 2.04 H new ATOM 0 HG23 VAL A 104 -3.201 -5.121 -1.405 1.00 2.04 H new ATOM 1613 N VAL A 105 -5.887 -3.826 0.339 1.00 61.03 N ATOM 1614 CA VAL A 105 -5.843 -2.873 1.425 1.00 43.34 C ATOM 1615 C VAL A 105 -4.392 -2.505 1.717 1.00 74.35 C ATOM 1616 O VAL A 105 -3.602 -3.327 2.177 1.00 62.54 O ATOM 1617 CB VAL A 105 -6.545 -3.404 2.700 1.00 35.44 C ATOM 1618 CG1 VAL A 105 -8.039 -3.541 2.467 1.00 43.20 C ATOM 1619 CG2 VAL A 105 -5.965 -4.735 3.144 1.00 40.13 C ATOM 0 H VAL A 105 -5.897 -4.803 0.633 1.00 61.03 H new ATOM 0 HA VAL A 105 -6.391 -1.982 1.117 1.00 43.34 H new ATOM 0 HB VAL A 105 -6.372 -2.679 3.495 1.00 35.44 H new ATOM 0 HG11 VAL A 105 -8.516 -3.915 3.373 1.00 43.20 H new ATOM 0 HG12 VAL A 105 -8.458 -2.568 2.212 1.00 43.20 H new ATOM 0 HG13 VAL A 105 -8.217 -4.239 1.649 1.00 43.20 H new ATOM 0 HG21 VAL A 105 -6.482 -5.076 4.041 1.00 40.13 H new ATOM 0 HG22 VAL A 105 -6.092 -5.471 2.350 1.00 40.13 H new ATOM 0 HG23 VAL A 105 -4.903 -4.615 3.361 1.00 40.13 H new ATOM 1629 N VAL A 106 -4.042 -1.276 1.402 1.00 14.32 N ATOM 1630 CA VAL A 106 -2.678 -0.811 1.543 1.00 73.34 C ATOM 1631 C VAL A 106 -2.528 0.009 2.814 1.00 14.14 C ATOM 1632 O VAL A 106 -3.281 0.960 3.041 1.00 24.31 O ATOM 1633 CB VAL A 106 -2.248 0.045 0.329 1.00 41.10 C ATOM 1634 CG1 VAL A 106 -0.786 0.461 0.445 1.00 13.43 C ATOM 1635 CG2 VAL A 106 -2.499 -0.702 -0.975 1.00 60.41 C ATOM 0 H VAL A 106 -4.690 -0.575 1.043 1.00 14.32 H new ATOM 0 HA VAL A 106 -2.035 -1.689 1.596 1.00 73.34 H new ATOM 0 HB VAL A 106 -2.854 0.951 0.323 1.00 41.10 H new ATOM 0 HG11 VAL A 106 -0.509 1.062 -0.421 1.00 13.43 H new ATOM 0 HG12 VAL A 106 -0.645 1.047 1.353 1.00 13.43 H new ATOM 0 HG13 VAL A 106 -0.157 -0.428 0.486 1.00 13.43 H new ATOM 0 HG21 VAL A 106 -2.189 -0.081 -1.816 1.00 60.41 H new ATOM 0 HG22 VAL A 106 -1.927 -1.630 -0.979 1.00 60.41 H new ATOM 0 HG23 VAL A 106 -3.561 -0.931 -1.065 1.00 60.41 H new ATOM 1645 N ARG A 107 -1.585 -0.383 3.655 1.00 21.44 N ATOM 1646 CA ARG A 107 -1.264 0.397 4.837 1.00 61.41 C ATOM 1647 C ARG A 107 0.239 0.494 5.040 1.00 52.33 C ATOM 1648 O ARG A 107 0.907 -0.503 5.319 1.00 74.11 O ATOM 1649 CB ARG A 107 -1.922 -0.177 6.093 1.00 53.03 C ATOM 1650 CG ARG A 107 -1.754 0.744 7.284 1.00 72.15 C ATOM 1651 CD ARG A 107 -2.649 0.371 8.446 1.00 42.20 C ATOM 1652 NE ARG A 107 -2.974 1.555 9.239 1.00 42.44 N ATOM 1653 CZ ARG A 107 -3.450 1.533 10.479 1.00 1.44 C ATOM 1654 NH1 ARG A 107 -3.592 0.387 11.135 1.00 52.23 N ATOM 1655 NH2 ARG A 107 -3.750 2.678 11.074 1.00 33.11 N ATOM 0 H ARG A 107 -1.031 -1.232 3.542 1.00 21.44 H new ATOM 0 HA ARG A 107 -1.662 1.398 4.671 1.00 61.41 H new ATOM 0 HB2 ARG A 107 -2.983 -0.340 5.906 1.00 53.03 H new ATOM 0 HB3 ARG A 107 -1.485 -1.150 6.321 1.00 53.03 H new ATOM 0 HG2 ARG A 107 -0.714 0.722 7.611 1.00 72.15 H new ATOM 0 HG3 ARG A 107 -1.970 1.768 6.979 1.00 72.15 H new ATOM 0 HD2 ARG A 107 -3.565 -0.089 8.075 1.00 42.20 H new ATOM 0 HD3 ARG A 107 -2.152 -0.369 9.073 1.00 42.20 H new ATOM 0 HE ARG A 107 -2.824 2.467 8.808 1.00 42.44 H new ATOM 0 HH11 ARG A 107 -3.334 -0.492 10.687 1.00 52.23 H new ATOM 0 HH12 ARG A 107 -3.959 0.386 12.087 1.00 52.23 H new ATOM 0 HH21 ARG A 107 -3.615 3.560 10.580 1.00 33.11 H new ATOM 0 HH22 ARG A 107 -4.116 2.677 12.026 1.00 33.11 H new ATOM 1669 N LEU A 108 0.762 1.702 4.892 1.00 44.34 N ATOM 1670 CA LEU A 108 2.168 1.971 5.146 1.00 31.33 C ATOM 1671 C LEU A 108 2.307 2.935 6.309 1.00 71.32 C ATOM 1672 O LEU A 108 1.521 3.874 6.443 1.00 24.55 O ATOM 1673 CB LEU A 108 2.863 2.560 3.913 1.00 72.22 C ATOM 1674 CG LEU A 108 3.465 1.548 2.938 1.00 51.41 C ATOM 1675 CD1 LEU A 108 2.383 0.721 2.263 1.00 51.14 C ATOM 1676 CD2 LEU A 108 4.312 2.266 1.902 1.00 73.33 C ATOM 0 H LEU A 108 0.227 2.518 4.594 1.00 44.34 H new ATOM 0 HA LEU A 108 2.648 1.022 5.387 1.00 31.33 H new ATOM 0 HB2 LEU A 108 2.142 3.172 3.371 1.00 72.22 H new ATOM 0 HB3 LEU A 108 3.657 3.226 4.251 1.00 72.22 H new ATOM 0 HG LEU A 108 4.099 0.865 3.503 1.00 51.41 H new ATOM 0 HD11 LEU A 108 2.843 0.011 1.576 1.00 51.14 H new ATOM 0 HD12 LEU A 108 1.815 0.179 3.019 1.00 51.14 H new ATOM 0 HD13 LEU A 108 1.714 1.380 1.710 1.00 51.14 H new ATOM 0 HD21 LEU A 108 4.737 1.538 1.211 1.00 73.33 H new ATOM 0 HD22 LEU A 108 3.691 2.971 1.349 1.00 73.33 H new ATOM 0 HD23 LEU A 108 5.117 2.806 2.401 1.00 73.33 H new ATOM 1688 N THR A 109 3.302 2.698 7.147 1.00 23.21 N ATOM 1689 CA THR A 109 3.558 3.564 8.283 1.00 3.52 C ATOM 1690 C THR A 109 4.409 4.763 7.854 1.00 61.35 C ATOM 1691 O THR A 109 5.526 4.601 7.360 1.00 73.03 O ATOM 1692 CB THR A 109 4.266 2.779 9.409 1.00 32.44 C ATOM 1693 OG1 THR A 109 3.454 1.667 9.821 1.00 21.44 O ATOM 1694 CG2 THR A 109 4.579 3.667 10.606 1.00 3.52 C ATOM 0 H THR A 109 3.946 1.912 7.061 1.00 23.21 H new ATOM 0 HA THR A 109 2.604 3.931 8.663 1.00 3.52 H new ATOM 0 HB THR A 109 5.212 2.412 9.012 1.00 32.44 H new ATOM 0 HG1 THR A 109 3.625 0.902 9.233 1.00 21.44 H new ATOM 0 HG21 THR A 109 5.077 3.078 11.376 1.00 3.52 H new ATOM 0 HG22 THR A 109 5.232 4.482 10.294 1.00 3.52 H new ATOM 0 HG23 THR A 109 3.652 4.078 11.006 1.00 3.52 H new ATOM 1702 N TYR A 110 3.864 5.960 8.039 1.00 32.14 N ATOM 1703 CA TYR A 110 4.533 7.191 7.644 1.00 44.42 C ATOM 1704 C TYR A 110 4.726 8.079 8.858 1.00 15.53 C ATOM 1705 O TYR A 110 3.804 8.268 9.653 1.00 61.32 O ATOM 1706 CB TYR A 110 3.724 7.952 6.587 1.00 75.33 C ATOM 1707 CG TYR A 110 3.701 7.314 5.215 1.00 14.42 C ATOM 1708 CD1 TYR A 110 4.875 7.096 4.504 1.00 32.44 C ATOM 1709 CD2 TYR A 110 2.500 6.955 4.620 1.00 20.45 C ATOM 1710 CE1 TYR A 110 4.851 6.530 3.242 1.00 2.34 C ATOM 1711 CE2 TYR A 110 2.468 6.394 3.357 1.00 42.30 C ATOM 1712 CZ TYR A 110 3.645 6.186 2.671 1.00 71.23 C ATOM 1713 OH TYR A 110 3.614 5.636 1.409 1.00 51.41 O ATOM 0 H TYR A 110 2.949 6.103 8.466 1.00 32.14 H new ATOM 0 HA TYR A 110 5.499 6.926 7.214 1.00 44.42 H new ATOM 0 HB2 TYR A 110 2.698 8.054 6.941 1.00 75.33 H new ATOM 0 HB3 TYR A 110 4.131 8.959 6.496 1.00 75.33 H new ATOM 0 HD1 TYR A 110 5.822 7.373 4.944 1.00 32.44 H new ATOM 0 HD2 TYR A 110 1.575 7.117 5.153 1.00 20.45 H new ATOM 0 HE1 TYR A 110 5.773 6.359 2.707 1.00 2.34 H new ATOM 0 HE2 TYR A 110 1.524 6.120 2.910 1.00 42.30 H new ATOM 0 HH TYR A 110 2.686 5.451 1.156 1.00 51.41 H new ATOM 1782 N GLY A 115 13.899 15.935 12.804 1.00 21.24 N ATOM 1783 CA GLY A 115 14.246 17.231 12.256 1.00 61.53 C ATOM 1784 C GLY A 115 13.323 18.319 12.760 1.00 32.54 C ATOM 1785 O GLY A 115 12.374 18.705 12.079 1.00 11.31 O ATOM 0 HA2 GLY A 115 15.275 17.475 12.522 1.00 61.53 H new ATOM 0 HA3 GLY A 115 14.199 17.190 11.168 1.00 61.53 H new ATOM 1789 N SER A 116 13.608 18.813 13.959 1.00 65.33 N ATOM 1790 CA SER A 116 12.772 19.819 14.603 1.00 12.13 C ATOM 1791 C SER A 116 12.677 21.088 13.756 1.00 24.13 C ATOM 1792 O SER A 116 11.607 21.687 13.633 1.00 22.10 O ATOM 1793 CB SER A 116 13.343 20.150 15.982 1.00 53.02 C ATOM 1794 OG SER A 116 13.723 18.966 16.666 1.00 65.24 O ATOM 0 H SER A 116 14.419 18.530 14.509 1.00 65.33 H new ATOM 0 HA SER A 116 11.766 19.413 14.710 1.00 12.13 H new ATOM 0 HB2 SER A 116 14.206 20.807 15.875 1.00 53.02 H new ATOM 0 HB3 SER A 116 12.600 20.692 16.568 1.00 53.02 H new ATOM 0 HG SER A 116 14.087 19.199 17.545 1.00 65.24 H new ATOM 1800 N ALA A 117 13.795 21.481 13.157 1.00 74.21 N ATOM 1801 CA ALA A 117 13.845 22.694 12.354 1.00 32.54 C ATOM 1802 C ALA A 117 13.123 22.514 11.025 1.00 5.35 C ATOM 1803 O ALA A 117 12.648 23.479 10.435 1.00 52.20 O ATOM 1804 CB ALA A 117 15.286 23.111 12.115 1.00 15.33 C ATOM 0 H ALA A 117 14.679 20.976 13.213 1.00 74.21 H new ATOM 0 HA ALA A 117 13.334 23.480 12.909 1.00 32.54 H new ATOM 0 HB1 ALA A 117 15.307 24.020 11.513 1.00 15.33 H new ATOM 0 HB2 ALA A 117 15.774 23.298 13.072 1.00 15.33 H new ATOM 0 HB3 ALA A 117 15.813 22.315 11.589 1.00 15.33 H new ATOM 1810 N GLY A 118 13.026 21.272 10.568 1.00 71.15 N ATOM 1811 CA GLY A 118 12.412 20.996 9.280 1.00 4.01 C ATOM 1812 C GLY A 118 10.926 21.295 9.266 1.00 50.13 C ATOM 1813 O GLY A 118 10.365 21.646 8.226 1.00 41.14 O ATOM 0 H GLY A 118 13.362 20.448 11.066 1.00 71.15 H new ATOM 0 HA2 GLY A 118 12.906 21.591 8.512 1.00 4.01 H new ATOM 0 HA3 GLY A 118 12.570 19.949 9.023 1.00 4.01 H new ATOM 1817 N ALA A 119 10.296 21.174 10.429 1.00 31.01 N ATOM 1818 CA ALA A 119 8.860 21.389 10.554 1.00 34.43 C ATOM 1819 C ALA A 119 8.491 22.850 10.315 1.00 54.15 C ATOM 1820 O ALA A 119 7.529 23.151 9.606 1.00 63.12 O ATOM 1821 CB ALA A 119 8.383 20.942 11.928 1.00 15.21 C ATOM 0 H ALA A 119 10.760 20.927 11.303 1.00 31.01 H new ATOM 0 HA ALA A 119 8.363 20.792 9.790 1.00 34.43 H new ATOM 0 HB1 ALA A 119 7.309 21.107 12.012 1.00 15.21 H new ATOM 0 HB2 ALA A 119 8.599 19.882 12.061 1.00 15.21 H new ATOM 0 HB3 ALA A 119 8.899 21.517 12.697 1.00 15.21 H new ATOM 1827 N VAL A 120 9.274 23.759 10.884 1.00 71.24 N ATOM 1828 CA VAL A 120 8.974 25.183 10.795 1.00 1.33 C ATOM 1829 C VAL A 120 9.268 25.720 9.391 1.00 23.04 C ATOM 1830 O VAL A 120 8.732 26.749 8.985 1.00 34.15 O ATOM 1831 CB VAL A 120 9.754 26.000 11.854 1.00 33.05 C ATOM 1832 CG1 VAL A 120 11.246 26.007 11.561 1.00 1.11 C ATOM 1833 CG2 VAL A 120 9.215 27.422 11.947 1.00 3.14 C ATOM 0 H VAL A 120 10.119 23.536 11.410 1.00 71.24 H new ATOM 0 HA VAL A 120 7.909 25.299 10.998 1.00 1.33 H new ATOM 0 HB VAL A 120 9.608 25.515 12.819 1.00 33.05 H new ATOM 0 HG11 VAL A 120 11.764 26.589 12.323 1.00 1.11 H new ATOM 0 HG12 VAL A 120 11.623 24.984 11.567 1.00 1.11 H new ATOM 0 HG13 VAL A 120 11.422 26.453 10.582 1.00 1.11 H new ATOM 0 HG21 VAL A 120 9.779 27.976 12.697 1.00 3.14 H new ATOM 0 HG22 VAL A 120 9.317 27.914 10.980 1.00 3.14 H new ATOM 0 HG23 VAL A 120 8.163 27.394 12.231 1.00 3.14 H new ATOM 1843 N ILE A 121 10.099 25.004 8.641 1.00 73.22 N ATOM 1844 CA ILE A 121 10.450 25.419 7.287 1.00 33.54 C ATOM 1845 C ILE A 121 9.215 25.422 6.387 1.00 13.30 C ATOM 1846 O ILE A 121 8.864 26.449 5.809 1.00 74.21 O ATOM 1847 CB ILE A 121 11.535 24.508 6.670 1.00 73.24 C ATOM 1848 CG1 ILE A 121 12.805 24.528 7.525 1.00 20.45 C ATOM 1849 CG2 ILE A 121 11.850 24.940 5.245 1.00 0.30 C ATOM 1850 CD1 ILE A 121 13.415 25.905 7.692 1.00 50.12 C ATOM 0 H ILE A 121 10.541 24.137 8.946 1.00 73.22 H new ATOM 0 HA ILE A 121 10.852 26.430 7.357 1.00 33.54 H new ATOM 0 HB ILE A 121 11.150 23.488 6.645 1.00 73.24 H new ATOM 0 HG12 ILE A 121 12.574 24.123 8.510 1.00 20.45 H new ATOM 0 HG13 ILE A 121 13.545 23.867 7.074 1.00 20.45 H new ATOM 0 HG21 ILE A 121 12.616 24.287 4.828 1.00 0.30 H new ATOM 0 HG22 ILE A 121 10.947 24.875 4.637 1.00 0.30 H new ATOM 0 HG23 ILE A 121 12.212 25.968 5.248 1.00 0.30 H new ATOM 0 HD11 ILE A 121 14.310 25.834 8.310 1.00 50.12 H new ATOM 0 HD12 ILE A 121 13.680 26.307 6.714 1.00 50.12 H new ATOM 0 HD13 ILE A 121 12.694 26.566 8.173 1.00 50.12 H new ATOM 1862 N ALA A 122 8.547 24.277 6.293 1.00 4.43 N ATOM 1863 CA ALA A 122 7.334 24.164 5.486 1.00 54.22 C ATOM 1864 C ALA A 122 6.228 25.045 6.054 1.00 5.11 C ATOM 1865 O ALA A 122 5.393 25.574 5.318 1.00 63.43 O ATOM 1866 CB ALA A 122 6.874 22.714 5.421 1.00 74.55 C ATOM 0 H ALA A 122 8.823 23.415 6.764 1.00 4.43 H new ATOM 0 HA ALA A 122 7.561 24.504 4.475 1.00 54.22 H new ATOM 0 HB1 ALA A 122 5.970 22.646 4.817 1.00 74.55 H new ATOM 0 HB2 ALA A 122 7.657 22.104 4.972 1.00 74.55 H new ATOM 0 HB3 ALA A 122 6.665 22.353 6.428 1.00 74.55 H new ATOM 1872 N ARG A 123 6.253 25.213 7.371 1.00 53.24 N ATOM 1873 CA ARG A 123 5.264 26.019 8.074 1.00 61.35 C ATOM 1874 C ARG A 123 5.404 27.496 7.698 1.00 21.31 C ATOM 1875 O ARG A 123 4.422 28.239 7.679 1.00 41.11 O ATOM 1876 CB ARG A 123 5.446 25.844 9.583 1.00 30.42 C ATOM 1877 CG ARG A 123 4.244 26.257 10.414 1.00 51.14 C ATOM 1878 CD ARG A 123 3.056 25.346 10.153 1.00 14.40 C ATOM 1879 NE ARG A 123 2.003 25.520 11.152 1.00 73.23 N ATOM 1880 CZ ARG A 123 1.019 24.647 11.359 1.00 15.55 C ATOM 1881 NH1 ARG A 123 0.896 23.574 10.582 1.00 40.00 N ATOM 1882 NH2 ARG A 123 0.138 24.867 12.328 1.00 32.10 N ATOM 0 H ARG A 123 6.957 24.796 7.979 1.00 53.24 H new ATOM 0 HA ARG A 123 4.267 25.686 7.785 1.00 61.35 H new ATOM 0 HB2 ARG A 123 5.673 24.798 9.790 1.00 30.42 H new ATOM 0 HB3 ARG A 123 6.310 26.427 9.902 1.00 30.42 H new ATOM 0 HG2 ARG A 123 4.503 26.227 11.472 1.00 51.14 H new ATOM 0 HG3 ARG A 123 3.974 27.287 10.181 1.00 51.14 H new ATOM 0 HD2 ARG A 123 2.653 25.551 9.161 1.00 14.40 H new ATOM 0 HD3 ARG A 123 3.388 24.308 10.153 1.00 14.40 H new ATOM 0 HE ARG A 123 2.023 26.363 11.726 1.00 73.23 H new ATOM 0 HH11 ARG A 123 1.558 23.416 9.822 1.00 40.00 H new ATOM 0 HH12 ARG A 123 0.140 22.909 10.746 1.00 40.00 H new ATOM 0 HH21 ARG A 123 0.217 25.701 12.909 1.00 32.10 H new ATOM 0 HH22 ARG A 123 -0.618 24.202 12.491 1.00 32.10 H new ATOM 1896 N MET A 124 6.634 27.903 7.397 1.00 2.24 N ATOM 1897 CA MET A 124 6.928 29.283 7.022 1.00 41.41 C ATOM 1898 C MET A 124 6.276 29.636 5.687 1.00 50.13 C ATOM 1899 O MET A 124 5.741 30.731 5.518 1.00 74.12 O ATOM 1900 CB MET A 124 8.445 29.494 6.931 1.00 75.55 C ATOM 1901 CG MET A 124 8.852 30.900 6.505 1.00 43.13 C ATOM 1902 SD MET A 124 8.424 32.152 7.728 1.00 14.52 S ATOM 1903 CE MET A 124 8.934 33.643 6.874 1.00 60.51 C ATOM 0 H MET A 124 7.450 27.291 7.406 1.00 2.24 H new ATOM 0 HA MET A 124 6.518 29.938 7.791 1.00 41.41 H new ATOM 0 HB2 MET A 124 8.890 29.277 7.902 1.00 75.55 H new ATOM 0 HB3 MET A 124 8.859 28.777 6.222 1.00 75.55 H new ATOM 0 HG2 MET A 124 9.927 30.924 6.328 1.00 43.13 H new ATOM 0 HG3 MET A 124 8.368 31.142 5.559 1.00 43.13 H new ATOM 0 HE1 MET A 124 8.733 34.510 7.504 1.00 60.51 H new ATOM 0 HE2 MET A 124 10.001 33.591 6.657 1.00 60.51 H new ATOM 0 HE3 MET A 124 8.378 33.736 5.941 1.00 60.51 H new ATOM 2057 N ARG A 134 -6.733 10.289 -0.245 1.00 50.35 N ATOM 2058 CA ARG A 134 -7.301 9.096 -0.859 1.00 63.03 C ATOM 2059 C ARG A 134 -7.449 9.282 -2.364 1.00 2.13 C ATOM 2060 O ARG A 134 -7.501 8.310 -3.115 1.00 24.21 O ATOM 2061 CB ARG A 134 -8.658 8.784 -0.235 1.00 61.32 C ATOM 2062 CG ARG A 134 -8.560 8.125 1.130 1.00 1.20 C ATOM 2063 CD ARG A 134 -9.811 8.359 1.958 1.00 4.12 C ATOM 2064 NE ARG A 134 -11.038 8.195 1.180 1.00 40.50 N ATOM 2065 CZ ARG A 134 -12.111 7.539 1.612 1.00 24.41 C ATOM 2066 NH1 ARG A 134 -12.078 6.885 2.768 1.00 13.14 N ATOM 2067 NH2 ARG A 134 -13.210 7.515 0.871 1.00 35.14 N ATOM 0 HA ARG A 134 -6.624 8.261 -0.680 1.00 63.03 H new ATOM 0 HB2 ARG A 134 -9.228 9.709 -0.143 1.00 61.32 H new ATOM 0 HB3 ARG A 134 -9.216 8.131 -0.906 1.00 61.32 H new ATOM 0 HG2 ARG A 134 -8.401 7.054 1.006 1.00 1.20 H new ATOM 0 HG3 ARG A 134 -7.693 8.517 1.662 1.00 1.20 H new ATOM 0 HD2 ARG A 134 -9.822 7.664 2.798 1.00 4.12 H new ATOM 0 HD3 ARG A 134 -9.782 9.365 2.377 1.00 4.12 H new ATOM 0 HE ARG A 134 -11.073 8.609 0.249 1.00 40.50 H new ATOM 0 HH11 ARG A 134 -11.226 6.884 3.329 1.00 13.14 H new ATOM 0 HH12 ARG A 134 -12.904 6.384 3.094 1.00 13.14 H new ATOM 0 HH21 ARG A 134 -13.230 7.999 -0.027 1.00 35.14 H new ATOM 0 HH22 ARG A 134 -14.035 7.013 1.199 1.00 35.14 H new ATOM 2081 N ASP A 135 -7.507 10.539 -2.791 1.00 22.02 N ATOM 2082 CA ASP A 135 -7.591 10.877 -4.210 1.00 74.41 C ATOM 2083 C ASP A 135 -6.407 10.278 -4.962 1.00 53.33 C ATOM 2084 O ASP A 135 -6.551 9.766 -6.072 1.00 33.01 O ATOM 2085 CB ASP A 135 -7.615 12.398 -4.385 1.00 40.34 C ATOM 2086 CG ASP A 135 -7.953 12.825 -5.801 1.00 31.03 C ATOM 2087 OD1 ASP A 135 -9.154 12.959 -6.111 1.00 24.15 O ATOM 2088 OD2 ASP A 135 -7.028 13.060 -6.604 1.00 44.50 O ATOM 0 H ASP A 135 -7.497 11.348 -2.170 1.00 22.02 H new ATOM 0 HA ASP A 135 -8.512 10.461 -4.619 1.00 74.41 H new ATOM 0 HB2 ASP A 135 -8.345 12.826 -3.698 1.00 40.34 H new ATOM 0 HB3 ASP A 135 -6.642 12.805 -4.111 1.00 40.34 H new ATOM 2093 N ASP A 136 -5.244 10.315 -4.320 1.00 44.54 N ATOM 2094 CA ASP A 136 -4.023 9.756 -4.886 1.00 0.04 C ATOM 2095 C ASP A 136 -4.157 8.253 -5.100 1.00 45.42 C ATOM 2096 O ASP A 136 -3.775 7.727 -6.143 1.00 33.23 O ATOM 2097 CB ASP A 136 -2.830 10.041 -3.966 1.00 12.23 C ATOM 2098 CG ASP A 136 -2.476 11.513 -3.896 1.00 30.04 C ATOM 2099 OD1 ASP A 136 -3.030 12.231 -3.033 1.00 53.31 O ATOM 2100 OD2 ASP A 136 -1.640 11.960 -4.706 1.00 34.11 O ATOM 0 H ASP A 136 -5.122 10.731 -3.397 1.00 44.54 H new ATOM 0 HA ASP A 136 -3.855 10.231 -5.853 1.00 0.04 H new ATOM 0 HB2 ASP A 136 -3.057 9.679 -2.963 1.00 12.23 H new ATOM 0 HB3 ASP A 136 -1.964 9.481 -4.319 1.00 12.23 H new ATOM 2105 N LEU A 137 -4.725 7.561 -4.113 1.00 51.33 N ATOM 2106 CA LEU A 137 -4.875 6.116 -4.185 1.00 0.32 C ATOM 2107 C LEU A 137 -6.010 5.765 -5.141 1.00 3.13 C ATOM 2108 O LEU A 137 -6.020 4.697 -5.751 1.00 31.34 O ATOM 2109 CB LEU A 137 -5.136 5.541 -2.787 1.00 43.54 C ATOM 2110 CG LEU A 137 -4.999 4.020 -2.664 1.00 21.04 C ATOM 2111 CD1 LEU A 137 -3.576 3.585 -2.975 1.00 32.44 C ATOM 2112 CD2 LEU A 137 -5.399 3.550 -1.271 1.00 73.41 C ATOM 0 H LEU A 137 -5.087 7.981 -3.257 1.00 51.33 H new ATOM 0 HA LEU A 137 -3.953 5.675 -4.564 1.00 0.32 H new ATOM 0 HB2 LEU A 137 -4.445 6.009 -2.086 1.00 43.54 H new ATOM 0 HB3 LEU A 137 -6.143 5.824 -2.479 1.00 43.54 H new ATOM 0 HG LEU A 137 -5.672 3.562 -3.389 1.00 21.04 H new ATOM 0 HD11 LEU A 137 -3.498 2.502 -2.882 1.00 32.44 H new ATOM 0 HD12 LEU A 137 -3.319 3.882 -3.992 1.00 32.44 H new ATOM 0 HD13 LEU A 137 -2.889 4.059 -2.274 1.00 32.44 H new ATOM 0 HD21 LEU A 137 -5.293 2.467 -1.208 1.00 73.41 H new ATOM 0 HD22 LEU A 137 -4.754 4.021 -0.529 1.00 73.41 H new ATOM 0 HD23 LEU A 137 -6.436 3.825 -1.078 1.00 73.41 H new ATOM 2124 N MET A 138 -6.960 6.683 -5.274 1.00 53.34 N ATOM 2125 CA MET A 138 -8.056 6.520 -6.217 1.00 61.00 C ATOM 2126 C MET A 138 -7.514 6.506 -7.643 1.00 33.31 C ATOM 2127 O MET A 138 -7.869 5.642 -8.450 1.00 54.43 O ATOM 2128 CB MET A 138 -9.070 7.654 -6.056 1.00 2.33 C ATOM 2129 CG MET A 138 -10.386 7.421 -6.787 1.00 74.23 C ATOM 2130 SD MET A 138 -11.582 6.475 -5.815 1.00 34.44 S ATOM 2131 CE MET A 138 -10.746 4.904 -5.599 1.00 31.40 C ATOM 0 H MET A 138 -6.992 7.550 -4.738 1.00 53.34 H new ATOM 0 HA MET A 138 -8.556 5.573 -6.014 1.00 61.00 H new ATOM 0 HB2 MET A 138 -9.276 7.794 -4.995 1.00 2.33 H new ATOM 0 HB3 MET A 138 -8.624 8.580 -6.419 1.00 2.33 H new ATOM 0 HG2 MET A 138 -10.823 8.384 -7.052 1.00 74.23 H new ATOM 0 HG3 MET A 138 -10.188 6.894 -7.720 1.00 74.23 H new ATOM 0 HE1 MET A 138 -11.468 4.147 -5.294 1.00 31.40 H new ATOM 0 HE2 MET A 138 -10.283 4.606 -6.540 1.00 31.40 H new ATOM 0 HE3 MET A 138 -9.978 5.003 -4.832 1.00 31.40 H new ATOM 2141 N ARG A 139 -6.642 7.469 -7.937 1.00 34.14 N ATOM 2142 CA ARG A 139 -5.965 7.538 -9.229 1.00 45.22 C ATOM 2143 C ARG A 139 -5.112 6.293 -9.428 1.00 61.54 C ATOM 2144 O ARG A 139 -5.072 5.717 -10.514 1.00 61.14 O ATOM 2145 CB ARG A 139 -5.081 8.786 -9.306 1.00 75.24 C ATOM 2146 CG ARG A 139 -5.833 10.091 -9.102 1.00 35.44 C ATOM 2147 CD ARG A 139 -4.887 11.283 -9.101 1.00 14.12 C ATOM 2148 NE ARG A 139 -4.196 11.435 -10.382 1.00 64.42 N ATOM 2149 CZ ARG A 139 -3.229 12.323 -10.610 1.00 33.54 C ATOM 2150 NH1 ARG A 139 -2.793 13.109 -9.634 1.00 41.04 N ATOM 2151 NH2 ARG A 139 -2.677 12.408 -11.811 1.00 12.03 N ATOM 0 H ARG A 139 -6.387 8.217 -7.292 1.00 34.14 H new ATOM 0 HA ARG A 139 -6.718 7.594 -10.015 1.00 45.22 H new ATOM 0 HB2 ARG A 139 -4.296 8.710 -8.553 1.00 75.24 H new ATOM 0 HB3 ARG A 139 -4.589 8.810 -10.278 1.00 75.24 H new ATOM 0 HG2 ARG A 139 -6.574 10.213 -9.892 1.00 35.44 H new ATOM 0 HG3 ARG A 139 -6.377 10.055 -8.158 1.00 35.44 H new ATOM 0 HD2 ARG A 139 -5.448 12.191 -8.882 1.00 14.12 H new ATOM 0 HD3 ARG A 139 -4.152 11.162 -8.305 1.00 14.12 H new ATOM 0 HE ARG A 139 -4.472 10.822 -11.149 1.00 64.42 H new ATOM 0 HH11 ARG A 139 -3.198 13.036 -8.701 1.00 41.04 H new ATOM 0 HH12 ARG A 139 -2.052 13.786 -9.817 1.00 41.04 H new ATOM 0 HH21 ARG A 139 -2.992 11.794 -12.562 1.00 12.03 H new ATOM 0 HH22 ARG A 139 -1.937 13.088 -11.985 1.00 12.03 H new ATOM 2165 N PHE A 140 -4.452 5.882 -8.352 1.00 24.21 N ATOM 2166 CA PHE A 140 -3.604 4.698 -8.347 1.00 11.43 C ATOM 2167 C PHE A 140 -4.383 3.457 -8.785 1.00 22.34 C ATOM 2168 O PHE A 140 -3.869 2.623 -9.533 1.00 70.01 O ATOM 2169 CB PHE A 140 -3.029 4.509 -6.942 1.00 64.04 C ATOM 2170 CG PHE A 140 -2.178 3.288 -6.768 1.00 50.15 C ATOM 2171 CD1 PHE A 140 -0.898 3.239 -7.297 1.00 5.31 C ATOM 2172 CD2 PHE A 140 -2.651 2.193 -6.061 1.00 30.43 C ATOM 2173 CE1 PHE A 140 -0.108 2.121 -7.126 1.00 53.31 C ATOM 2174 CE2 PHE A 140 -1.864 1.075 -5.886 1.00 74.11 C ATOM 2175 CZ PHE A 140 -0.592 1.039 -6.418 1.00 54.53 C ATOM 0 H PHE A 140 -4.491 6.364 -7.454 1.00 24.21 H new ATOM 0 HA PHE A 140 -2.792 4.837 -9.060 1.00 11.43 H new ATOM 0 HB2 PHE A 140 -2.436 5.387 -6.687 1.00 64.04 H new ATOM 0 HB3 PHE A 140 -3.854 4.464 -6.231 1.00 64.04 H new ATOM 0 HD1 PHE A 140 -0.515 4.085 -7.849 1.00 5.31 H new ATOM 0 HD2 PHE A 140 -3.647 2.216 -5.643 1.00 30.43 H new ATOM 0 HE1 PHE A 140 0.887 2.092 -7.545 1.00 53.31 H new ATOM 0 HE2 PHE A 140 -2.243 0.228 -5.333 1.00 74.11 H new ATOM 0 HZ PHE A 140 0.026 0.164 -6.281 1.00 54.53 H new ATOM 2185 N LYS A 141 -5.622 3.342 -8.316 1.00 14.22 N ATOM 2186 CA LYS A 141 -6.488 2.240 -8.716 1.00 32.52 C ATOM 2187 C LYS A 141 -6.804 2.337 -10.203 1.00 42.02 C ATOM 2188 O LYS A 141 -6.605 1.379 -10.950 1.00 41.43 O ATOM 2189 CB LYS A 141 -7.794 2.258 -7.916 1.00 32.42 C ATOM 2190 CG LYS A 141 -8.680 1.043 -8.166 1.00 0.31 C ATOM 2191 CD LYS A 141 -10.011 1.170 -7.442 1.00 74.45 C ATOM 2192 CE LYS A 141 -10.919 2.197 -8.102 1.00 41.02 C ATOM 2193 NZ LYS A 141 -11.553 1.674 -9.342 1.00 3.43 N ATOM 0 H LYS A 141 -6.047 3.997 -7.660 1.00 14.22 H new ATOM 0 HA LYS A 141 -5.964 1.306 -8.514 1.00 32.52 H new ATOM 0 HB2 LYS A 141 -7.558 2.313 -6.853 1.00 32.42 H new ATOM 0 HB3 LYS A 141 -8.351 3.161 -8.166 1.00 32.42 H new ATOM 0 HG2 LYS A 141 -8.855 0.932 -9.236 1.00 0.31 H new ATOM 0 HG3 LYS A 141 -8.167 0.141 -7.832 1.00 0.31 H new ATOM 0 HD2 LYS A 141 -10.510 0.201 -7.426 1.00 74.45 H new ATOM 0 HD3 LYS A 141 -9.835 1.455 -6.405 1.00 74.45 H new ATOM 0 HE2 LYS A 141 -11.695 2.498 -7.399 1.00 41.02 H new ATOM 0 HE3 LYS A 141 -10.341 3.090 -8.340 1.00 41.02 H new ATOM 0 HZ1 LYS A 141 -11.461 2.378 -10.102 1.00 3.43 H new ATOM 0 HZ2 LYS A 141 -11.081 0.792 -9.628 1.00 3.43 H new ATOM 0 HZ3 LYS A 141 -12.560 1.486 -9.164 1.00 3.43 H new ATOM 2207 N ARG A 142 -7.278 3.515 -10.613 1.00 45.35 N ATOM 2208 CA ARG A 142 -7.645 3.775 -12.011 1.00 31.23 C ATOM 2209 C ARG A 142 -6.498 3.441 -12.956 1.00 44.22 C ATOM 2210 O ARG A 142 -6.704 2.801 -13.981 1.00 24.42 O ATOM 2211 CB ARG A 142 -8.054 5.241 -12.198 1.00 75.14 C ATOM 2212 CG ARG A 142 -9.485 5.550 -11.777 1.00 75.21 C ATOM 2213 CD ARG A 142 -10.475 5.359 -12.927 1.00 34.43 C ATOM 2214 NE ARG A 142 -10.647 3.957 -13.310 1.00 3.34 N ATOM 2215 CZ ARG A 142 -10.760 3.529 -14.568 1.00 32.41 C ATOM 2216 NH1 ARG A 142 -10.698 4.383 -15.582 1.00 23.13 N ATOM 2217 NH2 ARG A 142 -10.957 2.238 -14.808 1.00 3.43 N ATOM 0 H ARG A 142 -7.418 4.312 -9.992 1.00 45.35 H new ATOM 0 HA ARG A 142 -8.491 3.132 -12.252 1.00 31.23 H new ATOM 0 HB2 ARG A 142 -7.375 5.872 -11.625 1.00 75.14 H new ATOM 0 HB3 ARG A 142 -7.930 5.510 -13.247 1.00 75.14 H new ATOM 0 HG2 ARG A 142 -9.766 4.903 -10.946 1.00 75.21 H new ATOM 0 HG3 ARG A 142 -9.543 6.577 -11.416 1.00 75.21 H new ATOM 0 HD2 ARG A 142 -11.442 5.772 -12.639 1.00 34.43 H new ATOM 0 HD3 ARG A 142 -10.132 5.926 -13.792 1.00 34.43 H new ATOM 0 HE ARG A 142 -10.683 3.261 -12.565 1.00 3.34 H new ATOM 0 HH11 ARG A 142 -10.563 5.378 -15.403 1.00 23.13 H new ATOM 0 HH12 ARG A 142 -10.786 4.044 -16.540 1.00 23.13 H new ATOM 0 HH21 ARG A 142 -11.021 1.579 -14.032 1.00 3.43 H new ATOM 0 HH22 ARG A 142 -11.044 1.905 -15.768 1.00 3.43 H new ATOM 2231 N GLU A 143 -5.292 3.863 -12.600 1.00 74.21 N ATOM 2232 CA GLU A 143 -4.118 3.625 -13.435 1.00 5.05 C ATOM 2233 C GLU A 143 -3.833 2.135 -13.590 1.00 22.34 C ATOM 2234 O GLU A 143 -3.472 1.678 -14.677 1.00 63.44 O ATOM 2235 CB GLU A 143 -2.895 4.340 -12.861 1.00 21.34 C ATOM 2236 CG GLU A 143 -2.965 5.849 -13.003 1.00 72.21 C ATOM 2237 CD GLU A 143 -3.017 6.291 -14.451 1.00 10.44 C ATOM 2238 OE1 GLU A 143 -1.946 6.364 -15.093 1.00 1.23 O ATOM 2239 OE2 GLU A 143 -4.123 6.564 -14.957 1.00 53.13 O ATOM 0 H GLU A 143 -5.099 4.373 -11.738 1.00 74.21 H new ATOM 0 HA GLU A 143 -4.332 4.030 -14.424 1.00 5.05 H new ATOM 0 HB2 GLU A 143 -2.795 4.085 -11.806 1.00 21.34 H new ATOM 0 HB3 GLU A 143 -1.999 3.975 -13.364 1.00 21.34 H new ATOM 0 HG2 GLU A 143 -3.847 6.220 -12.481 1.00 72.21 H new ATOM 0 HG3 GLU A 143 -2.097 6.297 -12.520 1.00 72.21 H new ATOM 2246 N GLN A 144 -4.006 1.375 -12.515 1.00 31.14 N ATOM 2247 CA GLN A 144 -3.763 -0.059 -12.565 1.00 22.11 C ATOM 2248 C GLN A 144 -4.820 -0.776 -13.396 1.00 41.34 C ATOM 2249 O GLN A 144 -4.488 -1.595 -14.249 1.00 33.33 O ATOM 2250 CB GLN A 144 -3.711 -0.676 -11.168 1.00 3.42 C ATOM 2251 CG GLN A 144 -2.417 -0.409 -10.424 1.00 50.53 C ATOM 2252 CD GLN A 144 -2.183 -1.409 -9.310 1.00 40.40 C ATOM 2253 OE1 GLN A 144 -1.593 -2.467 -9.529 1.00 74.41 O ATOM 2254 NE2 GLN A 144 -2.636 -1.091 -8.112 1.00 72.30 N ATOM 0 H GLN A 144 -4.311 1.725 -11.607 1.00 31.14 H new ATOM 0 HA GLN A 144 -2.790 -0.190 -13.039 1.00 22.11 H new ATOM 0 HB2 GLN A 144 -4.543 -0.289 -10.580 1.00 3.42 H new ATOM 0 HB3 GLN A 144 -3.854 -1.753 -11.252 1.00 3.42 H new ATOM 0 HG2 GLN A 144 -1.583 -0.445 -11.124 1.00 50.53 H new ATOM 0 HG3 GLN A 144 -2.440 0.598 -10.008 1.00 50.53 H new ATOM 0 HE21 GLN A 144 -3.120 -0.205 -7.969 1.00 72.30 H new ATOM 0 HE22 GLN A 144 -2.502 -1.731 -7.329 1.00 72.30 H new ATOM 2263 N GLU A 145 -6.089 -0.463 -13.153 1.00 51.55 N ATOM 2264 CA GLU A 145 -7.182 -1.147 -13.838 1.00 45.44 C ATOM 2265 C GLU A 145 -7.335 -0.646 -15.274 1.00 5.45 C ATOM 2266 O GLU A 145 -8.029 -1.255 -16.088 1.00 42.54 O ATOM 2267 CB GLU A 145 -8.492 -0.988 -13.059 1.00 42.11 C ATOM 2268 CG GLU A 145 -8.867 0.454 -12.776 1.00 44.34 C ATOM 2269 CD GLU A 145 -10.111 0.580 -11.924 1.00 0.15 C ATOM 2270 OE1 GLU A 145 -10.182 -0.062 -10.861 1.00 21.32 O ATOM 2271 OE2 GLU A 145 -11.015 1.349 -12.297 1.00 61.44 O ATOM 0 H GLU A 145 -6.385 0.255 -12.492 1.00 51.55 H new ATOM 0 HA GLU A 145 -6.939 -2.209 -13.883 1.00 45.44 H new ATOM 0 HB2 GLU A 145 -9.298 -1.459 -13.622 1.00 42.11 H new ATOM 0 HB3 GLU A 145 -8.408 -1.524 -12.113 1.00 42.11 H new ATOM 0 HG2 GLU A 145 -8.036 0.949 -12.273 1.00 44.34 H new ATOM 0 HG3 GLU A 145 -9.024 0.976 -13.720 1.00 44.34 H new ATOM 2278 N LEU A 146 -6.694 0.472 -15.579 1.00 43.15 N ATOM 2279 CA LEU A 146 -6.629 0.967 -16.944 1.00 0.03 C ATOM 2280 C LEU A 146 -5.495 0.253 -17.672 1.00 41.02 C ATOM 2281 O LEU A 146 -5.650 -0.188 -18.812 1.00 13.43 O ATOM 2282 CB LEU A 146 -6.421 2.493 -16.941 1.00 34.02 C ATOM 2283 CG LEU A 146 -6.587 3.217 -18.288 1.00 15.52 C ATOM 2284 CD1 LEU A 146 -5.363 3.033 -19.173 1.00 2.40 C ATOM 2285 CD2 LEU A 146 -7.839 2.731 -19.007 1.00 31.02 C ATOM 0 H LEU A 146 -6.210 1.055 -14.896 1.00 43.15 H new ATOM 0 HA LEU A 146 -7.565 0.763 -17.464 1.00 0.03 H new ATOM 0 HB2 LEU A 146 -7.123 2.930 -16.231 1.00 34.02 H new ATOM 0 HB3 LEU A 146 -5.419 2.699 -16.566 1.00 34.02 H new ATOM 0 HG LEU A 146 -6.693 4.282 -18.080 1.00 15.52 H new ATOM 0 HD11 LEU A 146 -5.514 3.557 -20.117 1.00 2.40 H new ATOM 0 HD12 LEU A 146 -4.485 3.438 -18.669 1.00 2.40 H new ATOM 0 HD13 LEU A 146 -5.211 1.971 -19.368 1.00 2.40 H new ATOM 0 HD21 LEU A 146 -7.939 3.255 -19.958 1.00 31.02 H new ATOM 0 HD22 LEU A 146 -7.761 1.659 -19.190 1.00 31.02 H new ATOM 0 HD23 LEU A 146 -8.714 2.931 -18.389 1.00 31.02 H new ATOM 2297 N GLY A 147 -4.364 0.123 -16.986 1.00 11.33 N ATOM 2298 CA GLY A 147 -3.203 -0.518 -17.569 1.00 12.12 C ATOM 2299 C GLY A 147 -3.385 -2.012 -17.755 1.00 2.22 C ATOM 2300 O GLY A 147 -2.998 -2.565 -18.786 1.00 71.24 O ATOM 0 H GLY A 147 -4.232 0.453 -16.030 1.00 11.33 H new ATOM 0 HA2 GLY A 147 -2.988 -0.060 -18.535 1.00 12.12 H new ATOM 0 HA3 GLY A 147 -2.337 -0.339 -16.932 1.00 12.12 H new