USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 943 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 31 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-0.34) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= -0.0291 USER MOD Set 2.1: A 3 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 27 ASN : amide:sc= -3.47! K(o=-3.5!,f=-2.8) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0839 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 54:sc=0.000332 USER MOD Single : A 8 SER OG : rot 180:sc= -0.0253 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -30:sc= 0.384 USER MOD Single : A 13 MET CE :methyl -124:sc= -4.69! (180deg=-12.2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= -0.0088 (180deg=-0.145) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.584 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 115:sc= 0.0603 USER MOD Single : A 50 SER OG : rot 180:sc= 0.011 USER MOD Single : A 52 SER OG : rot -36:sc= 0.294 USER MOD Single : A 56 HIS : no HE2:sc= -0.762 K(o=-0.76,f=-4.1!) USER MOD Single : A 59 THR OG1 : rot 174:sc= 1.45 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 34:sc= 1.26 USER MOD Single : A 70 LYS NZ :NH3+ -151:sc= 0.398 (180deg=0.105) USER MOD Single : A 75 THR OG1 : rot 98:sc= 1.5 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 165:sc= 0.52 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.74) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.0155 X(o=-0.016,f=-0.016) USER MOD Single : A 100 SER OG : rot -170:sc= -0.0418 USER MOD Single : A 105 TYR OH : rot 30:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -164:sc= -0.0394 (180deg=-0.55) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 30:sc=-0.00691 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 119 MET CE :methyl 166:sc= -2.01 (180deg=-3.15!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -1.14 K(o=-1.1,f=-6.1!) USER MOD Single : A 126 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.056) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.849 -32.999 7.606 1.00 74.13 N ATOM 2 CA GLY A 1 6.677 -32.367 6.595 1.00 34.14 C ATOM 3 C GLY A 1 7.994 -31.868 7.156 1.00 1.51 C ATOM 4 O GLY A 1 8.196 -31.810 8.368 1.00 72.31 O ATOM 0 H1 GLY A 1 5.692 -33.996 7.353 1.00 74.13 H new ATOM 0 H2 GLY A 1 6.327 -32.947 8.528 1.00 74.13 H new ATOM 0 H3 GLY A 1 4.934 -32.508 7.662 1.00 74.13 H new ATOM 0 HA2 GLY A 1 6.873 -33.079 5.793 1.00 34.14 H new ATOM 0 HA3 GLY A 1 6.133 -31.532 6.154 1.00 34.14 H new ATOM 8 N PRO A 2 8.921 -31.498 6.259 1.00 21.03 N ATOM 9 CA PRO A 2 10.242 -30.997 6.646 1.00 2.31 C ATOM 10 C PRO A 2 10.173 -29.616 7.289 1.00 61.30 C ATOM 11 O PRO A 2 10.763 -29.379 8.343 1.00 14.21 O ATOM 12 CB PRO A 2 11.000 -30.930 5.318 1.00 23.42 C ATOM 13 CG PRO A 2 9.940 -30.779 4.284 1.00 33.11 C ATOM 14 CD PRO A 2 8.749 -31.541 4.796 1.00 34.03 C ATOM 0 HA PRO A 2 10.716 -31.635 7.392 1.00 2.31 H new ATOM 0 HB2 PRO A 2 11.693 -30.089 5.300 1.00 23.42 H new ATOM 0 HB3 PRO A 2 11.589 -31.832 5.152 1.00 23.42 H new ATOM 0 HG2 PRO A 2 9.694 -29.729 4.129 1.00 33.11 H new ATOM 0 HG3 PRO A 2 10.272 -31.174 3.324 1.00 33.11 H new ATOM 0 HD2 PRO A 2 7.812 -31.077 4.488 1.00 34.03 H new ATOM 0 HD3 PRO A 2 8.736 -32.565 4.423 1.00 34.03 H new ATOM 22 N THR A 3 9.446 -28.705 6.647 1.00 23.42 N ATOM 23 CA THR A 3 9.300 -27.347 7.156 1.00 41.32 C ATOM 24 C THR A 3 8.015 -27.198 7.963 1.00 20.13 C ATOM 25 O THR A 3 7.275 -28.162 8.154 1.00 54.11 O ATOM 26 CB THR A 3 9.296 -26.316 6.012 1.00 33.42 C ATOM 27 OG1 THR A 3 8.056 -26.379 5.299 1.00 11.12 O ATOM 28 CG2 THR A 3 10.451 -26.567 5.054 1.00 11.31 C ATOM 0 H THR A 3 8.950 -28.884 5.774 1.00 23.42 H new ATOM 0 HA THR A 3 10.157 -27.158 7.803 1.00 41.32 H new ATOM 0 HB THR A 3 9.414 -25.323 6.447 1.00 33.42 H new ATOM 0 HG1 THR A 3 8.061 -25.719 4.574 1.00 11.12 H new ATOM 0 HG21 THR A 3 10.428 -25.827 4.254 1.00 11.31 H new ATOM 0 HG22 THR A 3 11.395 -26.489 5.594 1.00 11.31 H new ATOM 0 HG23 THR A 3 10.359 -27.566 4.627 1.00 11.31 H new ATOM 36 N GLY A 4 7.757 -25.982 8.437 1.00 1.33 N ATOM 37 CA GLY A 4 6.559 -25.730 9.218 1.00 1.34 C ATOM 38 C GLY A 4 6.447 -24.283 9.655 1.00 45.41 C ATOM 39 O GLY A 4 6.103 -23.410 8.856 1.00 60.11 O ATOM 0 H GLY A 4 8.355 -25.168 8.294 1.00 1.33 H new ATOM 0 HA2 GLY A 4 5.682 -25.998 8.629 1.00 1.34 H new ATOM 0 HA3 GLY A 4 6.560 -26.373 10.098 1.00 1.34 H new ATOM 43 N THR A 5 6.737 -24.026 10.926 1.00 12.54 N ATOM 44 CA THR A 5 6.664 -22.675 11.469 1.00 74.23 C ATOM 45 C THR A 5 8.010 -22.236 12.033 1.00 64.14 C ATOM 46 O THR A 5 8.390 -22.629 13.136 1.00 14.45 O ATOM 47 CB THR A 5 5.597 -22.570 12.575 1.00 71.41 C ATOM 48 OG1 THR A 5 5.578 -23.773 13.352 1.00 32.23 O ATOM 49 CG2 THR A 5 4.220 -22.326 11.976 1.00 53.45 C ATOM 0 H THR A 5 7.025 -24.736 11.599 1.00 12.54 H new ATOM 0 HA THR A 5 6.387 -22.018 10.645 1.00 74.23 H new ATOM 0 HB THR A 5 5.852 -21.727 13.217 1.00 71.41 H new ATOM 0 HG1 THR A 5 6.481 -23.964 13.682 1.00 32.23 H new ATOM 0 HG21 THR A 5 3.483 -22.255 12.776 1.00 53.45 H new ATOM 0 HG22 THR A 5 4.230 -21.396 11.408 1.00 53.45 H new ATOM 0 HG23 THR A 5 3.960 -23.152 11.314 1.00 53.45 H new ATOM 57 N GLY A 6 8.729 -21.417 11.271 1.00 24.13 N ATOM 58 CA GLY A 6 10.025 -20.937 11.713 1.00 71.40 C ATOM 59 C GLY A 6 10.262 -19.486 11.347 1.00 43.52 C ATOM 60 O GLY A 6 10.219 -19.121 10.173 1.00 52.21 O ATOM 0 H GLY A 6 8.436 -21.077 10.355 1.00 24.13 H new ATOM 0 HA2 GLY A 6 10.102 -21.053 12.794 1.00 71.40 H new ATOM 0 HA3 GLY A 6 10.807 -21.553 11.269 1.00 71.40 H new ATOM 64 N GLU A 7 10.512 -18.656 12.355 1.00 62.41 N ATOM 65 CA GLU A 7 10.753 -17.236 12.132 1.00 61.05 C ATOM 66 C GLU A 7 12.205 -16.876 12.436 1.00 62.33 C ATOM 67 O GLU A 7 12.787 -17.366 13.405 1.00 20.21 O ATOM 68 CB GLU A 7 9.815 -16.393 12.999 1.00 41.31 C ATOM 69 CG GLU A 7 10.172 -16.411 14.475 1.00 34.13 C ATOM 70 CD GLU A 7 9.274 -15.512 15.303 1.00 31.31 C ATOM 71 OE1 GLU A 7 8.235 -15.064 14.775 1.00 50.32 O ATOM 72 OE2 GLU A 7 9.610 -15.256 16.478 1.00 35.02 O1- ATOM 0 H GLU A 7 10.553 -18.943 13.333 1.00 62.41 H new ATOM 0 HA GLU A 7 10.555 -17.021 11.082 1.00 61.05 H new ATOM 0 HB2 GLU A 7 9.831 -15.363 12.642 1.00 41.31 H new ATOM 0 HB3 GLU A 7 8.795 -16.757 12.876 1.00 41.31 H new ATOM 0 HG2 GLU A 7 10.102 -17.432 14.849 1.00 34.13 H new ATOM 0 HG3 GLU A 7 11.208 -16.096 14.598 1.00 34.13 H new ATOM 79 N SER A 8 12.784 -16.020 11.602 1.00 11.13 N ATOM 80 CA SER A 8 14.169 -15.597 11.779 1.00 73.41 C ATOM 81 C SER A 8 14.361 -14.155 11.319 1.00 2.22 C ATOM 82 O SER A 8 13.434 -13.525 10.809 1.00 44.50 O ATOM 83 CB SER A 8 15.109 -16.521 11.003 1.00 62.10 C ATOM 84 OG SER A 8 14.481 -17.757 10.708 1.00 14.33 O ATOM 0 H SER A 8 12.316 -15.605 10.796 1.00 11.13 H new ATOM 0 HA SER A 8 14.408 -15.655 12.841 1.00 73.41 H new ATOM 0 HB2 SER A 8 15.418 -16.036 10.077 1.00 62.10 H new ATOM 0 HB3 SER A 8 16.013 -16.699 11.586 1.00 62.10 H new ATOM 0 HG SER A 8 15.102 -18.329 10.210 1.00 14.33 H new ATOM 90 N LYS A 9 15.571 -13.638 11.503 1.00 44.32 N ATOM 91 CA LYS A 9 15.887 -12.271 11.106 1.00 23.33 C ATOM 92 C LYS A 9 17.034 -12.248 10.100 1.00 33.34 C ATOM 93 O LYS A 9 18.193 -12.061 10.469 1.00 14.24 O ATOM 94 CB LYS A 9 16.256 -11.435 12.334 1.00 44.14 C ATOM 95 CG LYS A 9 15.148 -11.354 13.370 1.00 44.04 C ATOM 96 CD LYS A 9 15.661 -10.808 14.692 1.00 2.52 C ATOM 97 CE LYS A 9 15.962 -9.319 14.601 1.00 53.35 C ATOM 98 NZ LYS A 9 14.744 -8.492 14.821 1.00 32.34 N1+ ATOM 0 H LYS A 9 16.349 -14.145 11.925 1.00 44.32 H new ATOM 0 HA LYS A 9 15.003 -11.843 10.633 1.00 23.33 H new ATOM 0 HB2 LYS A 9 17.146 -11.860 12.798 1.00 44.14 H new ATOM 0 HB3 LYS A 9 16.515 -10.426 12.012 1.00 44.14 H new ATOM 0 HG2 LYS A 9 14.346 -10.716 12.998 1.00 44.04 H new ATOM 0 HG3 LYS A 9 14.721 -12.345 13.525 1.00 44.04 H new ATOM 0 HD2 LYS A 9 14.920 -10.983 15.472 1.00 2.52 H new ATOM 0 HD3 LYS A 9 16.563 -11.346 14.983 1.00 2.52 H new ATOM 0 HE2 LYS A 9 16.718 -9.056 15.341 1.00 53.35 H new ATOM 0 HE3 LYS A 9 16.382 -9.093 13.621 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 14.991 -7.484 14.751 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 14.032 -8.725 14.100 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 14.357 -8.689 15.766 1.00 32.34 H new ATOM 112 N CYS A 10 16.701 -12.438 8.828 1.00 72.52 N ATOM 113 CA CYS A 10 17.702 -12.439 7.768 1.00 50.34 C ATOM 114 C CYS A 10 17.749 -11.087 7.064 1.00 44.02 C ATOM 115 O CYS A 10 16.814 -10.289 7.135 1.00 44.02 O ATOM 116 CB CYS A 10 17.402 -13.544 6.755 1.00 33.40 C ATOM 117 SG CYS A 10 18.458 -15.004 6.922 1.00 22.45 S ATOM 0 H CYS A 10 15.746 -12.593 8.506 1.00 72.52 H new ATOM 0 HA CYS A 10 18.675 -12.627 8.222 1.00 50.34 H new ATOM 0 HB2 CYS A 10 16.361 -13.848 6.862 1.00 33.40 H new ATOM 0 HB3 CYS A 10 17.515 -13.140 5.749 1.00 33.40 H new ATOM 0 HG CYS A 10 19.623 -14.647 7.375 1.00 22.45 H new ATOM 123 N PRO A 11 18.864 -10.820 6.367 1.00 41.21 N ATOM 124 CA PRO A 11 19.060 -9.563 5.638 1.00 32.44 C ATOM 125 C PRO A 11 18.154 -9.456 4.416 1.00 33.11 C ATOM 126 O PRO A 11 17.611 -8.388 4.125 1.00 40.40 O ATOM 127 CB PRO A 11 20.529 -9.627 5.211 1.00 52.53 C ATOM 128 CG PRO A 11 20.846 -11.082 5.160 1.00 50.33 C ATOM 129 CD PRO A 11 20.019 -11.725 6.239 1.00 12.12 C ATOM 0 HA PRO A 11 18.817 -8.694 6.249 1.00 32.44 H new ATOM 0 HB2 PRO A 11 20.680 -9.155 4.240 1.00 52.53 H new ATOM 0 HB3 PRO A 11 21.171 -9.107 5.922 1.00 52.53 H new ATOM 0 HG2 PRO A 11 20.605 -11.500 4.183 1.00 50.33 H new ATOM 0 HG3 PRO A 11 21.909 -11.256 5.327 1.00 50.33 H new ATOM 0 HD2 PRO A 11 19.711 -12.733 5.962 1.00 12.12 H new ATOM 0 HD3 PRO A 11 20.572 -11.806 7.175 1.00 12.12 H new ATOM 137 N LEU A 12 17.994 -10.565 3.704 1.00 24.44 N ATOM 138 CA LEU A 12 17.152 -10.595 2.512 1.00 13.33 C ATOM 139 C LEU A 12 15.927 -11.476 2.734 1.00 62.23 C ATOM 140 O LEU A 12 15.965 -12.423 3.518 1.00 61.54 O ATOM 141 CB LEU A 12 17.952 -11.106 1.313 1.00 1.41 C ATOM 142 CG LEU A 12 18.856 -10.083 0.624 1.00 23.13 C ATOM 143 CD1 LEU A 12 19.804 -10.775 -0.343 1.00 43.24 C ATOM 144 CD2 LEU A 12 18.022 -9.036 -0.101 1.00 3.34 C ATOM 0 H LEU A 12 18.436 -11.456 3.930 1.00 24.44 H new ATOM 0 HA LEU A 12 16.814 -9.579 2.309 1.00 13.33 H new ATOM 0 HB2 LEU A 12 18.569 -11.942 1.643 1.00 1.41 H new ATOM 0 HB3 LEU A 12 17.252 -11.498 0.575 1.00 1.41 H new ATOM 0 HG LEU A 12 19.450 -9.580 1.387 1.00 23.13 H new ATOM 0 HD11 LEU A 12 20.440 -10.032 -0.824 1.00 43.24 H new ATOM 0 HD12 LEU A 12 20.425 -11.485 0.202 1.00 43.24 H new ATOM 0 HD13 LEU A 12 19.227 -11.305 -1.101 1.00 43.24 H new ATOM 0 HD21 LEU A 12 18.682 -8.316 -0.585 1.00 3.34 H new ATOM 0 HD22 LEU A 12 17.401 -9.522 -0.853 1.00 3.34 H new ATOM 0 HD23 LEU A 12 17.385 -8.518 0.616 1.00 3.34 H new ATOM 156 N MET A 13 14.842 -11.157 2.036 1.00 42.14 N ATOM 157 CA MET A 13 13.605 -11.922 2.154 1.00 33.41 C ATOM 158 C MET A 13 13.166 -12.458 0.795 1.00 40.04 C ATOM 159 O MET A 13 13.138 -11.724 -0.194 1.00 53.03 O ATOM 160 CB MET A 13 12.499 -11.053 2.755 1.00 72.22 C ATOM 161 CG MET A 13 11.384 -11.855 3.406 1.00 31.44 C ATOM 162 SD MET A 13 10.194 -12.491 2.208 1.00 1.33 S ATOM 163 CE MET A 13 8.885 -13.047 3.295 1.00 15.23 C ATOM 0 H MET A 13 14.794 -10.375 1.383 1.00 42.14 H new ATOM 0 HA MET A 13 13.791 -12.768 2.815 1.00 33.41 H new ATOM 0 HB2 MET A 13 12.936 -10.385 3.497 1.00 72.22 H new ATOM 0 HB3 MET A 13 12.075 -10.426 1.971 1.00 72.22 H new ATOM 0 HG2 MET A 13 11.817 -12.688 3.960 1.00 31.44 H new ATOM 0 HG3 MET A 13 10.865 -11.227 4.130 1.00 31.44 H new ATOM 0 HE1 MET A 13 8.678 -14.100 3.106 1.00 15.23 H new ATOM 0 HE2 MET A 13 9.194 -12.918 4.332 1.00 15.23 H new ATOM 0 HE3 MET A 13 7.984 -12.462 3.109 1.00 15.23 H new ATOM 173 N VAL A 14 12.825 -13.742 0.752 1.00 0.34 N ATOM 174 CA VAL A 14 12.386 -14.375 -0.486 1.00 54.11 C ATOM 175 C VAL A 14 10.973 -14.931 -0.347 1.00 75.31 C ATOM 176 O VAL A 14 10.741 -15.896 0.380 1.00 44.51 O ATOM 177 CB VAL A 14 13.335 -15.515 -0.900 1.00 71.42 C ATOM 178 CG1 VAL A 14 12.954 -16.057 -2.269 1.00 65.25 C ATOM 179 CG2 VAL A 14 14.779 -15.036 -0.891 1.00 54.20 C ATOM 0 H VAL A 14 12.844 -14.364 1.560 1.00 0.34 H new ATOM 0 HA VAL A 14 12.397 -13.605 -1.257 1.00 54.11 H new ATOM 0 HB VAL A 14 13.240 -16.324 -0.176 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.636 -16.862 -2.544 1.00 65.25 H new ATOM 0 HG12 VAL A 14 11.934 -16.440 -2.238 1.00 65.25 H new ATOM 0 HG13 VAL A 14 13.019 -15.258 -3.008 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.436 -15.854 -1.186 1.00 54.20 H new ATOM 0 HG22 VAL A 14 14.892 -14.209 -1.592 1.00 54.20 H new ATOM 0 HG23 VAL A 14 15.045 -14.701 0.112 1.00 54.20 H new ATOM 189 N LYS A 15 10.029 -14.315 -1.052 1.00 45.14 N ATOM 190 CA LYS A 15 8.638 -14.748 -1.011 1.00 34.42 C ATOM 191 C LYS A 15 8.245 -15.444 -2.310 1.00 3.44 C ATOM 192 O LYS A 15 8.228 -14.828 -3.375 1.00 33.44 O ATOM 193 CB LYS A 15 7.717 -13.551 -0.763 1.00 23.14 C ATOM 194 CG LYS A 15 6.312 -13.941 -0.337 1.00 20.51 C ATOM 195 CD LYS A 15 6.085 -13.681 1.142 1.00 21.44 C ATOM 196 CE LYS A 15 5.694 -12.234 1.400 1.00 61.00 C ATOM 197 NZ LYS A 15 5.041 -12.065 2.727 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.203 -13.514 -1.659 1.00 45.14 H new ATOM 0 HA LYS A 15 8.530 -15.459 -0.192 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.158 -12.918 0.007 1.00 23.14 H new ATOM 0 HB3 LYS A 15 7.659 -12.954 -1.673 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.584 -13.379 -0.922 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.146 -14.997 -0.551 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.302 -14.342 1.513 1.00 21.44 H new ATOM 0 HD3 LYS A 15 6.992 -13.918 1.698 1.00 21.44 H new ATOM 0 HE2 LYS A 15 6.581 -11.603 1.349 1.00 61.00 H new ATOM 0 HE3 LYS A 15 5.017 -11.895 0.616 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 4.790 -11.065 2.865 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 4.180 -12.647 2.767 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 5.696 -12.364 3.477 1.00 31.20 H new ATOM 211 N VAL A 16 7.930 -16.731 -2.214 1.00 43.13 N ATOM 212 CA VAL A 16 7.535 -17.511 -3.381 1.00 14.13 C ATOM 213 C VAL A 16 6.024 -17.708 -3.425 1.00 22.53 C ATOM 214 O VAL A 16 5.473 -18.540 -2.703 1.00 43.30 O ATOM 215 CB VAL A 16 8.222 -18.890 -3.394 1.00 62.10 C ATOM 216 CG1 VAL A 16 7.788 -19.691 -4.612 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.734 -18.731 -3.360 1.00 0.34 C ATOM 0 H VAL A 16 7.941 -17.256 -1.340 1.00 43.13 H new ATOM 0 HA VAL A 16 7.851 -16.948 -4.259 1.00 14.13 H new ATOM 0 HB VAL A 16 7.917 -19.438 -2.502 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.283 -20.662 -4.604 1.00 24.42 H new ATOM 0 HG12 VAL A 16 6.708 -19.834 -4.587 1.00 24.42 H new ATOM 0 HG13 VAL A 16 8.061 -19.151 -5.519 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.204 -19.715 -3.370 1.00 0.34 H new ATOM 0 HG22 VAL A 16 10.060 -18.165 -4.232 1.00 0.34 H new ATOM 0 HG23 VAL A 16 10.024 -18.200 -2.453 1.00 0.34 H new ATOM 227 N LEU A 17 5.358 -16.938 -4.279 1.00 52.23 N ATOM 228 CA LEU A 17 3.908 -17.027 -4.419 1.00 52.32 C ATOM 229 C LEU A 17 3.527 -17.557 -5.797 1.00 63.31 C ATOM 230 O LEU A 17 4.305 -17.465 -6.746 1.00 71.44 O ATOM 231 CB LEU A 17 3.269 -15.655 -4.192 1.00 44.04 C ATOM 232 CG LEU A 17 2.513 -15.477 -2.875 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.343 -14.671 -1.888 1.00 1.50 C ATOM 234 CD2 LEU A 17 1.169 -14.805 -3.118 1.00 53.44 C ATOM 0 H LEU A 17 5.798 -16.245 -4.885 1.00 52.23 H new ATOM 0 HA LEU A 17 3.536 -17.723 -3.667 1.00 52.32 H new ATOM 0 HB2 LEU A 17 4.052 -14.899 -4.243 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.580 -15.457 -5.013 1.00 44.04 H new ATOM 0 HG LEU A 17 2.332 -16.463 -2.446 1.00 44.34 H new ATOM 0 HD11 LEU A 17 2.789 -14.554 -0.957 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.280 -15.192 -1.690 1.00 1.50 H new ATOM 0 HD13 LEU A 17 3.556 -13.688 -2.309 1.00 1.50 H new ATOM 0 HD21 LEU A 17 0.645 -14.686 -2.170 1.00 53.44 H new ATOM 0 HD22 LEU A 17 1.328 -13.826 -3.570 1.00 53.44 H new ATOM 0 HD23 LEU A 17 0.570 -15.421 -3.789 1.00 53.44 H new ATOM 246 N ASP A 18 2.323 -18.110 -5.899 1.00 52.03 N ATOM 247 CA ASP A 18 1.835 -18.652 -7.162 1.00 1.53 C ATOM 248 C ASP A 18 0.894 -17.666 -7.849 1.00 31.30 C ATOM 249 O ASP A 18 -0.026 -17.135 -7.229 1.00 2.31 O ATOM 250 CB ASP A 18 1.117 -19.982 -6.928 1.00 21.40 C ATOM 251 CG ASP A 18 1.055 -20.834 -8.179 1.00 31.11 C ATOM 252 OD1 ASP A 18 0.926 -20.262 -9.281 1.00 53.44 O ATOM 253 OD2 ASP A 18 1.132 -22.075 -8.057 1.00 31.41 O1- ATOM 0 H ASP A 18 1.667 -18.195 -5.122 1.00 52.03 H new ATOM 0 HA ASP A 18 2.693 -18.821 -7.812 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.630 -20.535 -6.141 1.00 21.40 H new ATOM 0 HB3 ASP A 18 0.105 -19.788 -6.574 1.00 21.40 H new ATOM 258 N ALA A 19 1.134 -17.427 -9.135 1.00 54.11 N ATOM 259 CA ALA A 19 0.308 -16.507 -9.907 1.00 4.04 C ATOM 260 C ALA A 19 -0.947 -17.199 -10.426 1.00 72.45 C ATOM 261 O ALA A 19 -1.953 -16.550 -10.713 1.00 54.10 O ATOM 262 CB ALA A 19 1.108 -15.923 -11.062 1.00 64.31 C ATOM 0 H ALA A 19 1.893 -17.858 -9.663 1.00 54.11 H new ATOM 0 HA ALA A 19 -0.003 -15.696 -9.248 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.479 -15.238 -11.630 1.00 64.31 H new ATOM 0 HB2 ALA A 19 1.971 -15.384 -10.671 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.448 -16.728 -11.713 1.00 64.31 H new ATOM 268 N VAL A 20 -0.881 -18.521 -10.549 1.00 1.32 N ATOM 269 CA VAL A 20 -2.013 -19.302 -11.034 1.00 4.11 C ATOM 270 C VAL A 20 -2.978 -19.633 -9.901 1.00 34.21 C ATOM 271 O VAL A 20 -4.195 -19.622 -10.087 1.00 24.34 O ATOM 272 CB VAL A 20 -1.547 -20.612 -11.696 1.00 64.24 C ATOM 273 CG1 VAL A 20 -2.742 -21.487 -12.047 1.00 42.40 C ATOM 274 CG2 VAL A 20 -0.711 -20.317 -12.932 1.00 1.33 C ATOM 0 H VAL A 20 -0.055 -19.074 -10.319 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.526 -18.690 -11.776 1.00 4.11 H new ATOM 0 HB VAL A 20 -0.924 -21.156 -10.986 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.394 -22.408 -12.514 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -3.296 -21.727 -11.140 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -3.393 -20.953 -12.739 1.00 42.40 H new ATOM 0 HG21 VAL A 20 -0.390 -21.254 -13.387 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -1.307 -19.752 -13.648 1.00 1.33 H new ATOM 0 HG23 VAL A 20 0.165 -19.733 -12.648 1.00 1.33 H new ATOM 284 N ARG A 21 -2.427 -19.926 -8.728 1.00 70.43 N ATOM 285 CA ARG A 21 -3.240 -20.260 -7.565 1.00 40.24 C ATOM 286 C ARG A 21 -3.476 -19.030 -6.694 1.00 25.13 C ATOM 287 O ARG A 21 -4.461 -18.956 -5.961 1.00 25.45 O ATOM 288 CB ARG A 21 -2.562 -21.358 -6.742 1.00 54.04 C ATOM 289 CG ARG A 21 -1.983 -22.482 -7.585 1.00 23.13 C ATOM 290 CD ARG A 21 -1.482 -23.627 -6.719 1.00 70.24 C ATOM 291 NE ARG A 21 -2.578 -24.430 -6.184 1.00 32.25 N ATOM 292 CZ ARG A 21 -2.462 -25.218 -5.121 1.00 13.33 C ATOM 293 NH1 ARG A 21 -1.304 -25.306 -4.481 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -3.505 -25.917 -4.695 1.00 42.11 N ATOM 0 H ARG A 21 -1.421 -19.939 -8.558 1.00 70.43 H new ATOM 0 HA ARG A 21 -4.205 -20.623 -7.920 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.764 -20.914 -6.147 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -3.286 -21.776 -6.043 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -2.744 -22.851 -8.273 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -1.163 -22.098 -8.192 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -0.820 -24.263 -7.307 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -0.891 -23.227 -5.896 1.00 70.24 H new ATOM 0 HE ARG A 21 -3.483 -24.383 -6.653 1.00 32.25 H new ATOM 0 HH11 ARG A 21 -0.500 -24.768 -4.805 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -1.217 -25.912 -3.665 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -4.398 -25.850 -5.184 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -3.415 -26.522 -3.879 1.00 42.11 H new ATOM 308 N GLY A 22 -2.566 -18.065 -6.782 1.00 14.01 N ATOM 309 CA GLY A 22 -2.693 -16.851 -5.997 1.00 71.33 C ATOM 310 C GLY A 22 -2.366 -17.071 -4.533 1.00 55.30 C ATOM 311 O GLY A 22 -2.807 -16.311 -3.671 1.00 35.44 O ATOM 0 H GLY A 22 -1.743 -18.102 -7.383 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -2.029 -16.088 -6.404 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.710 -16.469 -6.086 1.00 71.33 H new ATOM 315 N SER A 23 -1.591 -18.113 -4.251 1.00 52.31 N ATOM 316 CA SER A 23 -1.210 -18.434 -2.880 1.00 31.20 C ATOM 317 C SER A 23 0.268 -18.803 -2.800 1.00 73.43 C ATOM 318 O SER A 23 0.902 -19.154 -3.795 1.00 43.22 O ATOM 319 CB SER A 23 -2.064 -19.584 -2.347 1.00 51.44 C ATOM 320 OG SER A 23 -3.254 -19.101 -1.746 1.00 24.23 O ATOM 0 H SER A 23 -1.214 -18.750 -4.953 1.00 52.31 H new ATOM 0 HA SER A 23 -1.380 -17.550 -2.265 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.314 -20.263 -3.162 1.00 51.44 H new ATOM 0 HB3 SER A 23 -1.492 -20.158 -1.618 1.00 51.44 H new ATOM 0 HG SER A 23 -3.783 -19.856 -1.415 1.00 24.23 H new ATOM 326 N PRO A 24 0.831 -18.722 -1.585 1.00 13.40 N ATOM 327 CA PRO A 24 2.241 -19.044 -1.344 1.00 34.35 C ATOM 328 C PRO A 24 2.528 -20.534 -1.485 1.00 53.53 C ATOM 329 O PRO A 24 1.762 -21.371 -1.010 1.00 40.42 O ATOM 330 CB PRO A 24 2.466 -18.591 0.101 1.00 12.41 C ATOM 331 CG PRO A 24 1.117 -18.654 0.732 1.00 62.31 C ATOM 332 CD PRO A 24 0.137 -18.311 -0.354 1.00 53.31 C ATOM 0 HA PRO A 24 2.899 -18.559 -2.065 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.174 -19.242 0.614 1.00 12.41 H new ATOM 0 HB3 PRO A 24 2.875 -17.581 0.140 1.00 12.41 H new ATOM 0 HG2 PRO A 24 0.921 -19.647 1.136 1.00 62.31 H new ATOM 0 HG3 PRO A 24 1.041 -17.952 1.562 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.805 -18.844 -0.227 1.00 53.31 H new ATOM 0 HD3 PRO A 24 -0.097 -17.247 -0.362 1.00 53.31 H new ATOM 340 N ALA A 25 3.637 -20.859 -2.142 1.00 24.51 N ATOM 341 CA ALA A 25 4.026 -22.250 -2.343 1.00 10.44 C ATOM 342 C ALA A 25 4.724 -22.810 -1.108 1.00 33.45 C ATOM 343 O ALA A 25 5.428 -22.087 -0.401 1.00 43.13 O ATOM 344 CB ALA A 25 4.927 -22.375 -3.563 1.00 61.41 C ATOM 0 H ALA A 25 4.282 -20.178 -2.544 1.00 24.51 H new ATOM 0 HA ALA A 25 3.121 -22.833 -2.512 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.210 -23.419 -3.701 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.394 -22.023 -4.446 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.824 -21.773 -3.416 1.00 61.41 H new ATOM 350 N ILE A 26 4.523 -24.098 -0.855 1.00 22.35 N ATOM 351 CA ILE A 26 5.134 -24.754 0.296 1.00 34.21 C ATOM 352 C ILE A 26 6.237 -25.713 -0.141 1.00 14.43 C ATOM 353 O ILE A 26 6.125 -26.375 -1.171 1.00 25.11 O ATOM 354 CB ILE A 26 4.091 -25.529 1.121 1.00 4.42 C ATOM 355 CG1 ILE A 26 3.152 -24.558 1.838 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.781 -26.443 2.122 1.00 54.14 C ATOM 357 CD1 ILE A 26 2.104 -25.244 2.686 1.00 11.52 C ATOM 0 H ILE A 26 3.943 -24.708 -1.430 1.00 22.35 H new ATOM 0 HA ILE A 26 5.564 -23.968 0.917 1.00 34.21 H new ATOM 0 HB ILE A 26 3.499 -26.145 0.444 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.742 -23.895 2.471 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.655 -23.932 1.097 1.00 3.20 H new ATOM 0 HG21 ILE A 26 4.030 -26.984 2.698 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.413 -27.154 1.590 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.395 -25.846 2.796 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.474 -24.494 3.164 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.489 -25.886 2.055 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.593 -25.848 3.451 1.00 11.52 H new ATOM 369 N ASN A 27 7.299 -25.784 0.654 1.00 12.42 N ATOM 370 CA ASN A 27 8.422 -26.664 0.351 1.00 73.32 C ATOM 371 C ASN A 27 9.027 -26.327 -1.008 1.00 13.34 C ATOM 372 O ASN A 27 9.220 -27.204 -1.850 1.00 65.22 O ATOM 373 CB ASN A 27 7.972 -28.126 0.373 1.00 73.52 C ATOM 374 CG ASN A 27 7.850 -28.673 1.782 1.00 73.20 C ATOM 375 OD1 ASN A 27 8.148 -29.841 2.033 1.00 43.32 O ATOM 376 ND2 ASN A 27 7.411 -27.830 2.707 1.00 31.42 N ATOM 0 H ASN A 27 7.406 -25.243 1.512 1.00 12.42 H new ATOM 0 HA ASN A 27 9.185 -26.514 1.115 1.00 73.32 H new ATOM 0 HB2 ASN A 27 7.010 -28.215 -0.133 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.684 -28.731 -0.188 1.00 73.52 H new ATOM 0 HD21 ASN A 27 7.308 -28.141 3.673 1.00 31.42 H new ATOM 0 HD22 ASN A 27 7.176 -26.871 2.452 1.00 31.42 H new ATOM 383 N VAL A 28 9.325 -25.048 -1.216 1.00 10.34 N ATOM 384 CA VAL A 28 9.910 -24.594 -2.472 1.00 3.15 C ATOM 385 C VAL A 28 11.433 -24.581 -2.397 1.00 50.12 C ATOM 386 O VAL A 28 12.031 -23.645 -1.868 1.00 52.30 O ATOM 387 CB VAL A 28 9.414 -23.184 -2.844 1.00 72.20 C ATOM 388 CG1 VAL A 28 10.084 -22.701 -4.121 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.900 -23.172 -2.990 1.00 33.20 C ATOM 0 H VAL A 28 9.171 -24.308 -0.531 1.00 10.34 H new ATOM 0 HA VAL A 28 9.593 -25.298 -3.241 1.00 3.15 H new ATOM 0 HB VAL A 28 9.684 -22.500 -2.039 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.721 -21.703 -4.368 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.164 -22.668 -3.975 1.00 40.10 H new ATOM 0 HG13 VAL A 28 9.848 -23.385 -4.937 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.568 -22.168 -3.253 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.605 -23.869 -3.774 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.441 -23.471 -2.047 1.00 33.20 H new ATOM 399 N ALA A 29 12.054 -25.628 -2.930 1.00 21.11 N ATOM 400 CA ALA A 29 13.507 -25.738 -2.926 1.00 13.43 C ATOM 401 C ALA A 29 14.153 -24.498 -3.537 1.00 73.30 C ATOM 402 O ALA A 29 14.079 -24.280 -4.747 1.00 24.22 O ATOM 403 CB ALA A 29 13.945 -26.987 -3.674 1.00 1.22 C ATOM 0 H ALA A 29 11.573 -26.412 -3.370 1.00 21.11 H new ATOM 0 HA ALA A 29 13.838 -25.815 -1.890 1.00 13.43 H new ATOM 0 HB1 ALA A 29 15.033 -27.055 -3.662 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.521 -27.868 -3.191 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.596 -26.935 -4.705 1.00 1.22 H new ATOM 409 N VAL A 30 14.785 -23.689 -2.693 1.00 52.51 N ATOM 410 CA VAL A 30 15.444 -22.471 -3.152 1.00 62.05 C ATOM 411 C VAL A 30 16.925 -22.479 -2.792 1.00 64.44 C ATOM 412 O VAL A 30 17.314 -22.959 -1.726 1.00 3.33 O ATOM 413 CB VAL A 30 14.787 -21.216 -2.547 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.439 -19.956 -3.095 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.290 -21.214 -2.821 1.00 50.55 C ATOM 0 H VAL A 30 14.855 -23.854 -1.689 1.00 52.51 H new ATOM 0 HA VAL A 30 15.337 -22.442 -4.236 1.00 62.05 H new ATOM 0 HB VAL A 30 14.936 -21.233 -1.467 1.00 11.02 H new ATOM 0 HG11 VAL A 30 14.962 -19.079 -2.657 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.500 -19.956 -2.843 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.323 -19.928 -4.178 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.842 -20.320 -2.387 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.117 -21.220 -3.897 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.837 -22.100 -2.376 1.00 50.55 H new ATOM 425 N HIS A 31 17.749 -21.944 -3.687 1.00 4.33 N ATOM 426 CA HIS A 31 19.190 -21.888 -3.463 1.00 20.44 C ATOM 427 C HIS A 31 19.727 -20.485 -3.731 1.00 70.41 C ATOM 428 O HIS A 31 19.193 -19.753 -4.564 1.00 62.13 O ATOM 429 CB HIS A 31 19.905 -22.901 -4.357 1.00 42.03 C ATOM 430 CG HIS A 31 19.177 -24.202 -4.490 1.00 51.24 C ATOM 431 ND1 HIS A 31 19.003 -24.847 -5.697 1.00 72.51 N ATOM 432 CD2 HIS A 31 18.577 -24.980 -3.559 1.00 21.01 C ATOM 433 CE1 HIS A 31 18.327 -25.965 -5.502 1.00 63.14 C ATOM 434 NE2 HIS A 31 18.056 -26.070 -4.213 1.00 23.04 N ATOM 0 H HIS A 31 17.444 -21.543 -4.574 1.00 4.33 H new ATOM 0 HA HIS A 31 19.382 -22.137 -2.419 1.00 20.44 H new ATOM 0 HB2 HIS A 31 20.040 -22.467 -5.348 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.900 -23.090 -3.954 1.00 42.03 H new ATOM 0 HD2 HIS A 31 18.519 -24.781 -2.499 1.00 21.01 H new ATOM 0 HE1 HIS A 31 18.044 -26.673 -6.267 1.00 63.14 H new ATOM 0 HE2 HIS A 31 17.544 -26.835 -3.775 1.00 23.04 H new ATOM 442 N VAL A 32 20.787 -20.116 -3.018 1.00 33.14 N ATOM 443 CA VAL A 32 21.397 -18.802 -3.180 1.00 13.25 C ATOM 444 C VAL A 32 22.907 -18.914 -3.354 1.00 62.02 C ATOM 445 O VAL A 32 23.600 -19.481 -2.508 1.00 63.22 O ATOM 446 CB VAL A 32 21.096 -17.892 -1.974 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.508 -16.459 -2.272 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.623 -17.966 -1.606 1.00 30.45 C ATOM 0 H VAL A 32 21.241 -20.709 -2.323 1.00 33.14 H new ATOM 0 HA VAL A 32 20.963 -18.360 -4.077 1.00 13.25 H new ATOM 0 HB VAL A 32 21.678 -18.243 -1.121 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.288 -15.830 -1.409 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.577 -16.424 -2.483 1.00 62.34 H new ATOM 0 HG13 VAL A 32 20.955 -16.094 -3.137 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.428 -17.317 -0.752 1.00 30.45 H new ATOM 0 HG22 VAL A 32 19.019 -17.641 -2.454 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.364 -18.993 -1.348 1.00 30.45 H new ATOM 458 N PHE A 33 23.413 -18.370 -4.456 1.00 14.51 N ATOM 459 CA PHE A 33 24.842 -18.411 -4.742 1.00 10.33 C ATOM 460 C PHE A 33 25.415 -17.001 -4.849 1.00 51.44 C ATOM 461 O PHE A 33 24.679 -16.035 -5.055 1.00 61.13 O ATOM 462 CB PHE A 33 25.104 -19.180 -6.039 1.00 54.22 C ATOM 463 CG PHE A 33 24.692 -20.622 -5.974 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.354 -20.978 -6.024 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.644 -21.623 -5.859 1.00 63.43 C ATOM 466 CE1 PHE A 33 22.972 -22.305 -5.965 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.268 -22.952 -5.800 1.00 51.24 C ATOM 468 CZ PHE A 33 23.930 -23.293 -5.852 1.00 15.51 C ATOM 0 H PHE A 33 22.854 -17.896 -5.165 1.00 14.51 H new ATOM 0 HA PHE A 33 25.337 -18.925 -3.918 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.569 -18.694 -6.855 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.166 -19.124 -6.277 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.600 -20.209 -6.110 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.691 -21.362 -5.815 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.926 -22.569 -6.007 1.00 31.23 H new ATOM 0 HE2 PHE A 33 26.019 -23.723 -5.713 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.634 -24.331 -5.804 1.00 15.51 H new ATOM 478 N ARG A 34 26.731 -16.891 -4.707 1.00 32.15 N ATOM 479 CA ARG A 34 27.403 -15.599 -4.787 1.00 13.44 C ATOM 480 C ARG A 34 28.420 -15.584 -5.924 1.00 21.02 C ATOM 481 O ARG A 34 29.045 -16.600 -6.228 1.00 3.34 O ATOM 482 CB ARG A 34 28.099 -15.279 -3.462 1.00 72.25 C ATOM 483 CG ARG A 34 28.718 -13.892 -3.418 1.00 3.34 C ATOM 484 CD ARG A 34 29.358 -13.610 -2.068 1.00 53.42 C ATOM 485 NE ARG A 34 30.749 -14.049 -2.020 1.00 31.04 N ATOM 486 CZ ARG A 34 31.422 -14.238 -0.890 1.00 34.30 C ATOM 487 NH1 ARG A 34 30.833 -14.027 0.279 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 32.686 -14.640 -0.928 1.00 2.43 N ATOM 0 H ARG A 34 27.354 -17.681 -4.536 1.00 32.15 H new ATOM 0 HA ARG A 34 26.649 -14.838 -4.987 1.00 13.44 H new ATOM 0 HB2 ARG A 34 27.377 -15.371 -2.651 1.00 72.25 H new ATOM 0 HB3 ARG A 34 28.877 -16.021 -3.282 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.468 -13.802 -4.203 1.00 3.34 H new ATOM 0 HG3 ARG A 34 27.952 -13.144 -3.622 1.00 3.34 H new ATOM 0 HD2 ARG A 34 29.308 -12.541 -1.859 1.00 53.42 H new ATOM 0 HD3 ARG A 34 28.791 -14.115 -1.286 1.00 53.42 H new ATOM 0 HE ARG A 34 31.231 -14.220 -2.902 1.00 31.04 H new ATOM 0 HH11 ARG A 34 29.861 -13.719 0.312 1.00 44.53 H new ATOM 0 HH12 ARG A 34 31.352 -14.173 1.145 1.00 44.53 H new ATOM 0 HH21 ARG A 34 33.142 -14.804 -1.825 1.00 2.43 H new ATOM 0 HH22 ARG A 34 33.201 -14.785 -0.060 1.00 2.43 H new ATOM 502 N LYS A 35 28.580 -14.423 -6.552 1.00 54.20 N ATOM 503 CA LYS A 35 29.521 -14.273 -7.656 1.00 73.31 C ATOM 504 C LYS A 35 30.961 -14.350 -7.158 1.00 71.34 C ATOM 505 O LYS A 35 31.396 -13.520 -6.360 1.00 63.22 O ATOM 506 CB LYS A 35 29.289 -12.943 -8.375 1.00 24.12 C ATOM 507 CG LYS A 35 30.412 -12.558 -9.322 1.00 14.42 C ATOM 508 CD LYS A 35 30.588 -13.588 -10.425 1.00 34.13 C ATOM 509 CE LYS A 35 29.449 -13.528 -11.432 1.00 42.22 C ATOM 510 NZ LYS A 35 29.506 -12.293 -12.261 1.00 53.31 N1+ ATOM 0 H LYS A 35 28.070 -13.572 -6.315 1.00 54.20 H new ATOM 0 HA LYS A 35 29.353 -15.091 -8.357 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.356 -13.001 -8.936 1.00 24.12 H new ATOM 0 HB3 LYS A 35 29.166 -12.155 -7.632 1.00 24.12 H new ATOM 0 HG2 LYS A 35 30.200 -11.584 -9.763 1.00 14.42 H new ATOM 0 HG3 LYS A 35 31.343 -12.459 -8.763 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.536 -13.417 -10.936 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.637 -14.585 -9.988 1.00 34.13 H new ATOM 0 HE2 LYS A 35 29.491 -14.403 -12.081 1.00 42.22 H new ATOM 0 HE3 LYS A 35 28.496 -13.568 -10.905 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 28.872 -12.395 -13.079 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 29.206 -11.477 -11.690 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 30.480 -12.143 -12.594 1.00 53.31 H new ATOM 524 N ALA A 36 31.696 -15.349 -7.634 1.00 33.44 N ATOM 525 CA ALA A 36 33.087 -15.531 -7.240 1.00 70.02 C ATOM 526 C ALA A 36 34.012 -14.650 -8.071 1.00 20.11 C ATOM 527 O ALA A 36 33.556 -13.859 -8.897 1.00 35.22 O ATOM 528 CB ALA A 36 33.486 -16.993 -7.373 1.00 3.22 C ATOM 0 H ALA A 36 31.351 -16.046 -8.294 1.00 33.44 H new ATOM 0 HA ALA A 36 33.186 -15.233 -6.196 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.528 -17.114 -7.075 1.00 3.22 H new ATOM 0 HB2 ALA A 36 32.851 -17.603 -6.730 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.365 -17.310 -8.409 1.00 3.22 H new ATOM 534 N ALA A 37 35.315 -14.790 -7.848 1.00 24.23 N ATOM 535 CA ALA A 37 36.304 -14.008 -8.577 1.00 41.33 C ATOM 536 C ALA A 37 36.584 -14.616 -9.947 1.00 62.24 C ATOM 537 O ALA A 37 37.268 -14.015 -10.776 1.00 15.13 O ATOM 538 CB ALA A 37 37.591 -13.901 -7.772 1.00 20.34 C ATOM 0 H ALA A 37 35.710 -15.439 -7.167 1.00 24.23 H new ATOM 0 HA ALA A 37 35.899 -13.007 -8.729 1.00 41.33 H new ATOM 0 HB1 ALA A 37 38.321 -13.314 -8.329 1.00 20.34 H new ATOM 0 HB2 ALA A 37 37.385 -13.414 -6.819 1.00 20.34 H new ATOM 0 HB3 ALA A 37 37.990 -14.899 -7.590 1.00 20.34 H new ATOM 544 N ASP A 38 36.052 -15.811 -10.178 1.00 62.14 N ATOM 545 CA ASP A 38 36.245 -16.502 -11.449 1.00 4.12 C ATOM 546 C ASP A 38 34.982 -16.430 -12.302 1.00 0.42 C ATOM 547 O ASP A 38 34.722 -17.314 -13.118 1.00 23.13 O ATOM 548 CB ASP A 38 36.629 -17.962 -11.207 1.00 0.10 C ATOM 549 CG ASP A 38 37.355 -18.573 -12.391 1.00 65.21 C ATOM 550 OD1 ASP A 38 38.500 -18.156 -12.663 1.00 40.31 O1- ATOM 551 OD2 ASP A 38 36.777 -19.466 -13.044 1.00 5.41 O ATOM 0 H ASP A 38 35.484 -16.322 -9.502 1.00 62.14 H new ATOM 0 HA ASP A 38 37.054 -16.006 -11.986 1.00 4.12 H new ATOM 0 HB2 ASP A 38 37.263 -18.026 -10.323 1.00 0.10 H new ATOM 0 HB3 ASP A 38 35.730 -18.541 -10.997 1.00 0.10 H new ATOM 556 N ASP A 39 34.202 -15.372 -12.108 1.00 22.23 N ATOM 557 CA ASP A 39 32.967 -15.184 -12.860 1.00 13.11 C ATOM 558 C ASP A 39 32.029 -16.373 -12.670 1.00 31.25 C ATOM 559 O ASP A 39 31.196 -16.665 -13.529 1.00 44.13 O ATOM 560 CB ASP A 39 33.273 -14.994 -14.346 1.00 2.13 C ATOM 561 CG ASP A 39 33.968 -13.677 -14.630 1.00 55.52 C ATOM 562 OD1 ASP A 39 33.263 -12.670 -14.857 1.00 75.13 O1- ATOM 563 OD2 ASP A 39 35.216 -13.651 -14.623 1.00 22.43 O ATOM 0 H ASP A 39 34.403 -14.631 -11.436 1.00 22.23 H new ATOM 0 HA ASP A 39 32.473 -14.289 -12.481 1.00 13.11 H new ATOM 0 HB2 ASP A 39 33.901 -15.815 -14.693 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.344 -15.041 -14.914 1.00 2.13 H new ATOM 568 N THR A 40 32.170 -17.056 -11.538 1.00 30.11 N ATOM 569 CA THR A 40 31.338 -18.215 -11.235 1.00 25.33 C ATOM 570 C THR A 40 30.388 -17.921 -10.081 1.00 51.15 C ATOM 571 O THR A 40 30.356 -16.808 -9.559 1.00 63.30 O ATOM 572 CB THR A 40 32.195 -19.444 -10.881 1.00 62.55 C ATOM 573 OG1 THR A 40 32.927 -19.200 -9.674 1.00 73.04 O ATOM 574 CG2 THR A 40 33.162 -19.774 -12.007 1.00 33.22 C ATOM 0 H THR A 40 32.853 -16.827 -10.816 1.00 30.11 H new ATOM 0 HA THR A 40 30.759 -18.433 -12.132 1.00 25.33 H new ATOM 0 HB THR A 40 31.528 -20.294 -10.736 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.468 -19.987 -9.455 1.00 73.04 H new ATOM 0 HG21 THR A 40 33.756 -20.646 -11.733 1.00 33.22 H new ATOM 0 HG22 THR A 40 32.601 -19.988 -12.917 1.00 33.22 H new ATOM 0 HG23 THR A 40 33.823 -18.925 -12.180 1.00 33.22 H new ATOM 582 N TRP A 41 29.614 -18.928 -9.688 1.00 51.02 N ATOM 583 CA TRP A 41 28.662 -18.776 -8.594 1.00 63.44 C ATOM 584 C TRP A 41 28.917 -19.811 -7.503 1.00 42.43 C ATOM 585 O TRP A 41 28.751 -21.010 -7.721 1.00 72.23 O ATOM 586 CB TRP A 41 27.229 -18.910 -9.114 1.00 61.33 C ATOM 587 CG TRP A 41 26.897 -17.927 -10.196 1.00 74.13 C ATOM 588 CD1 TRP A 41 26.839 -18.175 -11.538 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.580 -16.542 -10.027 1.00 44.13 C ATOM 590 NE1 TRP A 41 26.503 -17.026 -12.213 1.00 54.41 N ATOM 591 CE2 TRP A 41 26.338 -16.010 -11.309 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.474 -15.698 -8.918 1.00 51.42 C ATOM 593 CZ2 TRP A 41 26.000 -14.675 -11.510 1.00 72.03 C ATOM 594 CZ3 TRP A 41 26.138 -14.373 -9.118 1.00 23.02 C ATOM 595 CH2 TRP A 41 25.903 -13.872 -10.405 1.00 4.00 C ATOM 0 H TRP A 41 29.628 -19.856 -10.110 1.00 51.02 H new ATOM 0 HA TRP A 41 28.795 -17.782 -8.166 1.00 63.44 H new ATOM 0 HB2 TRP A 41 27.080 -19.921 -9.493 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.535 -18.775 -8.285 1.00 61.33 H new ATOM 0 HD1 TRP A 41 27.029 -19.132 -12.000 1.00 3.01 H new ATOM 0 HE1 TRP A 41 26.394 -16.943 -13.224 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.652 -16.075 -7.922 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.821 -14.286 -12.502 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 26.055 -13.712 -8.268 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.640 -12.832 -10.528 1.00 4.00 H new ATOM 606 N GLU A 42 29.323 -19.338 -6.329 1.00 14.31 N ATOM 607 CA GLU A 42 29.602 -20.223 -5.204 1.00 22.31 C ATOM 608 C GLU A 42 28.379 -20.360 -4.303 1.00 30.22 C ATOM 609 O GLU A 42 27.487 -19.512 -4.291 1.00 23.11 O ATOM 610 CB GLU A 42 30.790 -19.698 -4.395 1.00 42.11 C ATOM 611 CG GLU A 42 32.140 -20.121 -4.949 1.00 72.32 C ATOM 612 CD GLU A 42 33.207 -20.220 -3.877 1.00 0.20 C ATOM 613 OE1 GLU A 42 33.111 -21.128 -3.025 1.00 22.45 O ATOM 614 OE2 GLU A 42 34.137 -19.387 -3.889 1.00 22.10 O1- ATOM 0 H GLU A 42 29.466 -18.347 -6.132 1.00 14.31 H new ATOM 0 HA GLU A 42 29.850 -21.207 -5.602 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.745 -18.609 -4.364 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.702 -20.050 -3.367 1.00 42.11 H new ATOM 0 HG2 GLU A 42 32.038 -21.086 -5.445 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.458 -19.405 -5.707 1.00 72.32 H new ATOM 621 N PRO A 43 28.334 -21.455 -3.530 1.00 55.32 N ATOM 622 CA PRO A 43 27.226 -21.731 -2.610 1.00 0.45 C ATOM 623 C PRO A 43 27.205 -20.773 -1.424 1.00 61.23 C ATOM 624 O PRO A 43 28.163 -20.700 -0.655 1.00 55.41 O ATOM 625 CB PRO A 43 27.503 -23.160 -2.138 1.00 61.34 C ATOM 626 CG PRO A 43 28.975 -23.332 -2.295 1.00 40.42 C ATOM 627 CD PRO A 43 29.363 -22.509 -3.492 1.00 75.22 C ATOM 0 HA PRO A 43 26.256 -21.608 -3.092 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.196 -23.301 -1.102 1.00 61.34 H new ATOM 0 HB3 PRO A 43 26.953 -23.888 -2.735 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.504 -22.997 -1.403 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.232 -24.381 -2.443 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.363 -22.090 -3.384 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.363 -23.104 -4.406 1.00 75.22 H new ATOM 635 N PHE A 44 26.106 -20.039 -1.281 1.00 1.12 N ATOM 636 CA PHE A 44 25.960 -19.084 -0.189 1.00 62.35 C ATOM 637 C PHE A 44 24.962 -19.592 0.847 1.00 72.22 C ATOM 638 O PHE A 44 25.282 -19.704 2.031 1.00 41.04 O ATOM 639 CB PHE A 44 25.508 -17.726 -0.727 1.00 22.21 C ATOM 640 CG PHE A 44 25.362 -16.677 0.339 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.481 -16.081 0.899 1.00 54.50 C ATOM 642 CD2 PHE A 44 24.108 -16.288 0.779 1.00 44.44 C ATOM 643 CE1 PHE A 44 26.349 -15.117 1.881 1.00 13.33 C ATOM 644 CE2 PHE A 44 23.970 -15.323 1.759 1.00 23.30 C ATOM 645 CZ PHE A 44 25.092 -14.736 2.310 1.00 2.44 C ATOM 0 H PHE A 44 25.303 -20.088 -1.908 1.00 1.12 H new ATOM 0 HA PHE A 44 26.931 -18.970 0.293 1.00 62.35 H new ATOM 0 HB2 PHE A 44 26.227 -17.381 -1.469 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.554 -17.847 -1.240 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.466 -16.373 0.565 1.00 54.50 H new ATOM 0 HD2 PHE A 44 23.227 -16.744 0.351 1.00 44.44 H new ATOM 0 HE1 PHE A 44 27.228 -14.662 2.313 1.00 13.33 H new ATOM 0 HE2 PHE A 44 22.986 -15.029 2.093 1.00 23.30 H new ATOM 0 HZ PHE A 44 24.987 -13.981 3.075 1.00 2.44 H new ATOM 655 N ALA A 45 23.751 -19.897 0.393 1.00 74.54 N ATOM 656 CA ALA A 45 22.706 -20.394 1.279 1.00 71.13 C ATOM 657 C ALA A 45 21.662 -21.191 0.505 1.00 63.11 C ATOM 658 O ALA A 45 21.725 -21.287 -0.721 1.00 0.42 O ATOM 659 CB ALA A 45 22.048 -19.240 2.019 1.00 14.12 C ATOM 0 H ALA A 45 23.469 -19.809 -0.583 1.00 74.54 H new ATOM 0 HA ALA A 45 23.169 -21.061 2.006 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.270 -19.626 2.677 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.796 -18.714 2.612 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.606 -18.551 1.299 1.00 14.12 H new ATOM 665 N SER A 46 20.704 -21.762 1.226 1.00 60.52 N ATOM 666 CA SER A 46 19.648 -22.555 0.607 1.00 52.32 C ATOM 667 C SER A 46 18.561 -22.901 1.620 1.00 40.50 C ATOM 668 O SER A 46 18.820 -22.983 2.821 1.00 65.02 O ATOM 669 CB SER A 46 20.229 -23.837 0.007 1.00 70.12 C ATOM 670 OG SER A 46 19.259 -24.869 -0.027 1.00 13.53 O ATOM 0 H SER A 46 20.637 -21.691 2.241 1.00 60.52 H new ATOM 0 HA SER A 46 19.201 -21.960 -0.189 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.589 -23.639 -1.002 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.088 -24.160 0.595 1.00 70.12 H new ATOM 0 HG SER A 46 19.654 -25.677 -0.416 1.00 13.53 H new ATOM 676 N GLY A 47 17.344 -23.103 1.128 1.00 11.14 N ATOM 677 CA GLY A 47 16.235 -23.437 2.002 1.00 1.53 C ATOM 678 C GLY A 47 14.928 -23.586 1.251 1.00 63.12 C ATOM 679 O GLY A 47 14.876 -23.400 0.035 1.00 62.23 O ATOM 0 H GLY A 47 17.105 -23.041 0.138 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.457 -24.367 2.526 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.128 -22.661 2.760 1.00 1.53 H new ATOM 683 N LYS A 48 13.865 -23.925 1.975 1.00 51.41 N ATOM 684 CA LYS A 48 12.550 -24.099 1.370 1.00 3.33 C ATOM 685 C LYS A 48 11.537 -23.140 1.985 1.00 14.54 C ATOM 686 O LYS A 48 11.717 -22.664 3.106 1.00 53.10 O ATOM 687 CB LYS A 48 12.074 -25.543 1.545 1.00 54.50 C ATOM 688 CG LYS A 48 12.939 -26.562 0.824 1.00 35.21 C ATOM 689 CD LYS A 48 12.517 -27.984 1.152 1.00 13.00 C ATOM 690 CE LYS A 48 13.504 -29.000 0.598 1.00 55.05 C ATOM 691 NZ LYS A 48 13.158 -30.390 1.007 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.890 -24.085 2.982 1.00 51.41 H new ATOM 0 HA LYS A 48 12.634 -23.877 0.306 1.00 3.33 H new ATOM 0 HB2 LYS A 48 12.054 -25.783 2.608 1.00 54.50 H new ATOM 0 HB3 LYS A 48 11.050 -25.626 1.180 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.872 -26.401 -0.252 1.00 35.21 H new ATOM 0 HG3 LYS A 48 13.983 -26.418 1.104 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.440 -28.102 2.233 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.526 -28.175 0.739 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.520 -28.935 -0.490 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.508 -28.758 0.946 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.854 -31.052 0.609 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 13.168 -30.459 2.045 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 12.210 -30.630 0.653 1.00 60.34 H new ATOM 705 N THR A 49 10.469 -22.860 1.245 1.00 35.43 N ATOM 706 CA THR A 49 9.427 -21.957 1.717 1.00 51.31 C ATOM 707 C THR A 49 8.393 -22.702 2.556 1.00 3.20 C ATOM 708 O THR A 49 8.394 -23.932 2.610 1.00 55.41 O ATOM 709 CB THR A 49 8.712 -21.261 0.544 1.00 40.10 C ATOM 710 OG1 THR A 49 8.018 -22.230 -0.252 1.00 34.44 O ATOM 711 CG2 THR A 49 9.707 -20.505 -0.324 1.00 72.54 C ATOM 0 H THR A 49 10.303 -23.246 0.316 1.00 35.43 H new ATOM 0 HA THR A 49 9.918 -21.203 2.333 1.00 51.31 H new ATOM 0 HB THR A 49 7.997 -20.549 0.955 1.00 40.10 H new ATOM 0 HG1 THR A 49 7.053 -22.065 -0.201 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.179 -20.022 -1.146 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.213 -19.749 0.277 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.443 -21.202 -0.725 1.00 72.54 H new ATOM 719 N SER A 50 7.515 -21.948 3.209 1.00 13.14 N ATOM 720 CA SER A 50 6.478 -22.537 4.049 1.00 23.01 C ATOM 721 C SER A 50 5.090 -22.112 3.577 1.00 61.40 C ATOM 722 O SER A 50 4.934 -21.577 2.480 1.00 4.13 O ATOM 723 CB SER A 50 6.680 -22.128 5.509 1.00 14.25 C ATOM 724 OG SER A 50 6.457 -20.739 5.685 1.00 22.21 O ATOM 0 H SER A 50 7.501 -20.929 3.173 1.00 13.14 H new ATOM 0 HA SER A 50 6.554 -23.621 3.970 1.00 23.01 H new ATOM 0 HB2 SER A 50 5.999 -22.692 6.146 1.00 14.25 H new ATOM 0 HB3 SER A 50 7.693 -22.380 5.824 1.00 14.25 H new ATOM 0 HG SER A 50 6.591 -20.503 6.627 1.00 22.21 H new ATOM 730 N GLU A 51 4.087 -22.355 4.414 1.00 40.23 N ATOM 731 CA GLU A 51 2.712 -21.999 4.082 1.00 60.32 C ATOM 732 C GLU A 51 2.583 -20.497 3.841 1.00 42.55 C ATOM 733 O GLU A 51 1.618 -20.038 3.232 1.00 73.13 O ATOM 734 CB GLU A 51 1.766 -22.430 5.204 1.00 71.34 C ATOM 735 CG GLU A 51 2.266 -22.072 6.594 1.00 5.20 C ATOM 736 CD GLU A 51 1.237 -21.311 7.407 1.00 50.43 C ATOM 737 OE1 GLU A 51 0.588 -20.405 6.842 1.00 51.42 O1- ATOM 738 OE2 GLU A 51 1.082 -21.620 8.607 1.00 12.23 O ATOM 0 H GLU A 51 4.200 -22.797 5.326 1.00 40.23 H new ATOM 0 HA GLU A 51 2.438 -22.522 3.165 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.793 -21.965 5.046 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.617 -23.508 5.147 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.539 -22.985 7.124 1.00 5.20 H new ATOM 0 HG3 GLU A 51 3.171 -21.471 6.507 1.00 5.20 H new ATOM 745 N SER A 52 3.563 -19.740 4.324 1.00 0.31 N ATOM 746 CA SER A 52 3.556 -18.290 4.165 1.00 24.21 C ATOM 747 C SER A 52 4.368 -17.875 2.942 1.00 24.50 C ATOM 748 O SER A 52 4.336 -16.718 2.525 1.00 12.24 O ATOM 749 CB SER A 52 4.119 -17.616 5.419 1.00 63.01 C ATOM 750 OG SER A 52 3.997 -16.207 5.338 1.00 15.33 O ATOM 0 H SER A 52 4.371 -20.106 4.828 1.00 0.31 H new ATOM 0 HA SER A 52 2.524 -17.969 4.021 1.00 24.21 H new ATOM 0 HB2 SER A 52 3.590 -17.980 6.300 1.00 63.01 H new ATOM 0 HB3 SER A 52 5.168 -17.887 5.542 1.00 63.01 H new ATOM 0 HG SER A 52 4.133 -15.920 4.411 1.00 15.33 H new ATOM 756 N GLY A 53 5.099 -18.829 2.373 1.00 45.14 N ATOM 757 CA GLY A 53 5.909 -18.543 1.203 1.00 60.22 C ATOM 758 C GLY A 53 7.200 -17.828 1.554 1.00 74.10 C ATOM 759 O GLY A 53 7.992 -17.497 0.671 1.00 12.51 O ATOM 0 H GLY A 53 5.145 -19.794 2.701 1.00 45.14 H new ATOM 0 HA2 GLY A 53 6.142 -19.475 0.689 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.335 -17.930 0.508 1.00 60.22 H new ATOM 763 N GLU A 54 7.412 -17.591 2.843 1.00 43.33 N ATOM 764 CA GLU A 54 8.615 -16.909 3.307 1.00 51.21 C ATOM 765 C GLU A 54 9.727 -17.910 3.605 1.00 32.34 C ATOM 766 O GLU A 54 9.471 -19.016 4.082 1.00 45.34 O ATOM 767 CB GLU A 54 8.309 -16.080 4.557 1.00 52.21 C ATOM 768 CG GLU A 54 9.550 -15.534 5.243 1.00 3.13 C ATOM 769 CD GLU A 54 9.219 -14.629 6.413 1.00 12.04 C ATOM 770 OE1 GLU A 54 8.366 -15.015 7.240 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 9.812 -13.532 6.501 1.00 3.21 O ATOM 0 H GLU A 54 6.767 -17.861 3.586 1.00 43.33 H new ATOM 0 HA GLU A 54 8.953 -16.243 2.513 1.00 51.21 H new ATOM 0 HB2 GLU A 54 7.661 -15.248 4.282 1.00 52.21 H new ATOM 0 HB3 GLU A 54 7.754 -16.696 5.265 1.00 52.21 H new ATOM 0 HG2 GLU A 54 10.162 -16.365 5.593 1.00 3.13 H new ATOM 0 HG3 GLU A 54 10.148 -14.981 4.518 1.00 3.13 H new ATOM 778 N LEU A 55 10.963 -17.514 3.322 1.00 2.41 N ATOM 779 CA LEU A 55 12.116 -18.375 3.559 1.00 22.44 C ATOM 780 C LEU A 55 13.222 -17.618 4.287 1.00 75.42 C ATOM 781 O LEU A 55 13.913 -16.789 3.696 1.00 42.00 O ATOM 782 CB LEU A 55 12.647 -18.927 2.234 1.00 1.43 C ATOM 783 CG LEU A 55 13.984 -19.665 2.303 1.00 62.34 C ATOM 784 CD1 LEU A 55 13.944 -20.745 3.372 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.332 -20.266 0.948 1.00 12.22 C ATOM 0 H LEU A 55 11.192 -16.602 2.928 1.00 2.41 H new ATOM 0 HA LEU A 55 11.794 -19.205 4.189 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.901 -19.606 1.821 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.748 -18.099 1.532 1.00 1.43 H new ATOM 0 HG LEU A 55 14.759 -18.947 2.570 1.00 62.34 H new ATOM 0 HD11 LEU A 55 14.905 -21.259 3.406 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.742 -20.290 4.342 1.00 65.40 H new ATOM 0 HD13 LEU A 55 13.157 -21.461 3.136 1.00 65.40 H new ATOM 0 HD21 LEU A 55 15.287 -20.787 1.016 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.554 -20.970 0.652 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.404 -19.471 0.205 1.00 12.22 H new ATOM 797 N HIS A 56 13.384 -17.910 5.574 1.00 62.22 N ATOM 798 CA HIS A 56 14.407 -17.258 6.383 1.00 52.21 C ATOM 799 C HIS A 56 15.381 -18.284 6.956 1.00 65.14 C ATOM 800 O HIS A 56 15.180 -19.489 6.819 1.00 61.43 O ATOM 801 CB HIS A 56 13.761 -16.461 7.516 1.00 44.24 C ATOM 802 CG HIS A 56 13.414 -15.054 7.138 1.00 31.34 C ATOM 803 ND1 HIS A 56 13.866 -13.955 7.834 1.00 24.42 N ATOM 804 CD2 HIS A 56 12.653 -14.572 6.127 1.00 65.14 C ATOM 805 CE1 HIS A 56 13.398 -12.855 7.269 1.00 13.10 C ATOM 806 NE2 HIS A 56 12.659 -13.203 6.230 1.00 75.35 N ATOM 0 H HIS A 56 12.820 -18.594 6.078 1.00 62.22 H new ATOM 0 HA HIS A 56 14.963 -16.575 5.741 1.00 52.21 H new ATOM 0 HB2 HIS A 56 12.856 -16.975 7.840 1.00 44.24 H new ATOM 0 HB3 HIS A 56 14.440 -16.442 8.369 1.00 44.24 H new ATOM 0 HD1 HIS A 56 14.468 -13.985 8.657 1.00 24.42 H new ATOM 0 HD2 HIS A 56 12.137 -15.156 5.379 1.00 65.14 H new ATOM 0 HE1 HIS A 56 13.587 -11.845 7.600 1.00 13.10 H new ATOM 814 N GLY A 57 16.438 -17.794 7.598 1.00 54.50 N ATOM 815 CA GLY A 57 17.428 -18.681 8.181 1.00 51.11 C ATOM 816 C GLY A 57 18.460 -19.142 7.172 1.00 44.14 C ATOM 817 O GLY A 57 19.105 -20.174 7.360 1.00 3.50 O ATOM 0 H GLY A 57 16.626 -16.799 7.724 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.931 -18.170 9.002 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.927 -19.550 8.606 1.00 51.11 H new ATOM 821 N LEU A 58 18.618 -18.376 6.098 1.00 1.11 N ATOM 822 CA LEU A 58 19.579 -18.712 5.053 1.00 53.45 C ATOM 823 C LEU A 58 21.006 -18.436 5.518 1.00 62.15 C ATOM 824 O LEU A 58 21.860 -19.322 5.495 1.00 35.35 O ATOM 825 CB LEU A 58 19.280 -17.913 3.783 1.00 64.24 C ATOM 826 CG LEU A 58 18.210 -18.496 2.860 1.00 4.24 C ATOM 827 CD1 LEU A 58 17.982 -17.584 1.665 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.605 -19.891 2.399 1.00 62.04 C ATOM 0 H LEU A 58 18.093 -17.518 5.928 1.00 1.11 H new ATOM 0 HA LEU A 58 19.487 -19.776 4.835 1.00 53.45 H new ATOM 0 HB2 LEU A 58 18.973 -16.908 4.074 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.205 -17.812 3.215 1.00 64.24 H new ATOM 0 HG LEU A 58 17.277 -18.570 3.419 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.217 -18.015 1.019 1.00 55.53 H new ATOM 0 HD12 LEU A 58 17.654 -16.604 2.012 1.00 55.53 H new ATOM 0 HD13 LEU A 58 18.912 -17.478 1.106 1.00 55.53 H new ATOM 0 HD21 LEU A 58 17.831 -20.290 1.743 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.550 -19.841 1.858 1.00 62.04 H new ATOM 0 HD23 LEU A 58 18.717 -20.542 3.266 1.00 62.04 H new ATOM 840 N THR A 59 21.257 -17.201 5.940 1.00 11.10 N ATOM 841 CA THR A 59 22.579 -16.809 6.410 1.00 32.02 C ATOM 842 C THR A 59 22.483 -15.729 7.483 1.00 65.34 C ATOM 843 O THR A 59 21.389 -15.308 7.859 1.00 12.31 O ATOM 844 CB THR A 59 23.457 -16.291 5.254 1.00 50.44 C ATOM 845 OG1 THR A 59 22.703 -15.393 4.432 1.00 55.13 O ATOM 846 CG2 THR A 59 23.975 -17.446 4.410 1.00 44.44 C ATOM 0 H THR A 59 20.562 -16.455 5.966 1.00 11.10 H new ATOM 0 HA THR A 59 23.040 -17.701 6.835 1.00 32.02 H new ATOM 0 HB THR A 59 24.309 -15.763 5.681 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.292 -14.993 3.759 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.592 -17.057 3.600 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.572 -18.113 5.033 1.00 44.44 H new ATOM 0 HG23 THR A 59 23.133 -17.997 3.992 1.00 44.44 H new ATOM 854 N THR A 60 23.636 -15.284 7.972 1.00 54.44 N ATOM 855 CA THR A 60 23.682 -14.254 9.002 1.00 13.13 C ATOM 856 C THR A 60 24.065 -12.902 8.411 1.00 21.15 C ATOM 857 O THR A 60 24.516 -12.820 7.269 1.00 14.52 O ATOM 858 CB THR A 60 24.684 -14.616 10.116 1.00 25.41 C ATOM 859 OG1 THR A 60 25.964 -14.910 9.545 1.00 64.13 O ATOM 860 CG2 THR A 60 24.193 -15.814 10.916 1.00 52.01 C ATOM 0 H THR A 60 24.551 -15.621 7.671 1.00 54.44 H new ATOM 0 HA THR A 60 22.681 -14.191 9.430 1.00 13.13 H new ATOM 0 HB THR A 60 24.773 -13.762 10.788 1.00 25.41 H new ATOM 0 HG1 THR A 60 26.596 -15.137 10.259 1.00 64.13 H new ATOM 0 HG21 THR A 60 24.916 -16.051 11.696 1.00 52.01 H new ATOM 0 HG22 THR A 60 23.231 -15.578 11.372 1.00 52.01 H new ATOM 0 HG23 THR A 60 24.079 -16.672 10.254 1.00 52.01 H new ATOM 868 N GLU A 61 23.882 -11.845 9.196 1.00 22.20 N ATOM 869 CA GLU A 61 24.208 -10.496 8.749 1.00 34.44 C ATOM 870 C GLU A 61 25.720 -10.297 8.679 1.00 75.15 C ATOM 871 O GLU A 61 26.211 -9.459 7.924 1.00 20.20 O ATOM 872 CB GLU A 61 23.588 -9.459 9.688 1.00 63.34 C ATOM 873 CG GLU A 61 22.193 -9.021 9.274 1.00 15.31 C ATOM 874 CD GLU A 61 21.773 -7.720 9.930 1.00 74.31 C ATOM 875 OE1 GLU A 61 22.091 -7.525 11.121 1.00 31.33 O ATOM 876 OE2 GLU A 61 21.125 -6.897 9.250 1.00 53.10 O1- ATOM 0 H GLU A 61 23.510 -11.897 10.144 1.00 22.20 H new ATOM 0 HA GLU A 61 23.795 -10.362 7.749 1.00 34.44 H new ATOM 0 HB2 GLU A 61 23.546 -9.873 10.696 1.00 63.34 H new ATOM 0 HB3 GLU A 61 24.237 -8.584 9.729 1.00 63.34 H new ATOM 0 HG2 GLU A 61 22.159 -8.905 8.191 1.00 15.31 H new ATOM 0 HG3 GLU A 61 21.479 -9.802 9.534 1.00 15.31 H new ATOM 883 N GLU A 62 26.451 -11.072 9.474 1.00 42.53 N ATOM 884 CA GLU A 62 27.905 -10.980 9.504 1.00 43.33 C ATOM 885 C GLU A 62 28.523 -11.750 8.341 1.00 65.32 C ATOM 886 O GLU A 62 29.622 -11.432 7.886 1.00 62.24 O ATOM 887 CB GLU A 62 28.446 -11.518 10.831 1.00 54.13 C ATOM 888 CG GLU A 62 27.676 -11.025 12.045 1.00 32.32 C ATOM 889 CD GLU A 62 28.581 -10.432 13.107 1.00 63.21 C ATOM 890 OE1 GLU A 62 29.598 -11.071 13.444 1.00 22.34 O1- ATOM 891 OE2 GLU A 62 28.271 -9.327 13.601 1.00 12.42 O ATOM 0 H GLU A 62 26.059 -11.771 10.106 1.00 42.53 H new ATOM 0 HA GLU A 62 28.178 -9.929 9.408 1.00 43.33 H new ATOM 0 HB2 GLU A 62 28.418 -12.607 10.811 1.00 54.13 H new ATOM 0 HB3 GLU A 62 29.492 -11.228 10.932 1.00 54.13 H new ATOM 0 HG2 GLU A 62 26.951 -10.275 11.731 1.00 32.32 H new ATOM 0 HG3 GLU A 62 27.112 -11.853 12.474 1.00 32.32 H new ATOM 898 N GLU A 63 27.809 -12.766 7.865 1.00 72.05 N ATOM 899 CA GLU A 63 28.289 -13.583 6.757 1.00 4.24 C ATOM 900 C GLU A 63 27.824 -13.012 5.420 1.00 63.22 C ATOM 901 O GLU A 63 28.499 -13.159 4.401 1.00 24.32 O ATOM 902 CB GLU A 63 27.797 -15.024 6.906 1.00 2.20 C ATOM 903 CG GLU A 63 28.104 -15.900 5.704 1.00 63.03 C ATOM 904 CD GLU A 63 29.592 -16.016 5.430 1.00 12.25 C ATOM 905 OE1 GLU A 63 30.358 -16.207 6.398 1.00 44.51 O1- ATOM 906 OE2 GLU A 63 29.989 -15.915 4.251 1.00 13.21 O ATOM 0 H GLU A 63 26.897 -13.042 8.229 1.00 72.05 H new ATOM 0 HA GLU A 63 29.379 -13.575 6.778 1.00 4.24 H new ATOM 0 HB2 GLU A 63 28.254 -15.465 7.792 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.720 -15.016 7.073 1.00 2.20 H new ATOM 0 HG2 GLU A 63 27.690 -16.895 5.869 1.00 63.03 H new ATOM 0 HG3 GLU A 63 27.607 -15.490 4.824 1.00 63.03 H new ATOM 913 N PHE A 64 26.666 -12.359 5.432 1.00 65.55 N ATOM 914 CA PHE A 64 26.110 -11.768 4.221 1.00 2.44 C ATOM 915 C PHE A 64 26.828 -10.467 3.872 1.00 64.41 C ATOM 916 O PHE A 64 26.646 -9.446 4.534 1.00 23.03 O ATOM 917 CB PHE A 64 24.613 -11.505 4.398 1.00 11.52 C ATOM 918 CG PHE A 64 23.972 -10.860 3.202 1.00 62.32 C ATOM 919 CD1 PHE A 64 23.925 -9.481 3.084 1.00 2.21 C ATOM 920 CD2 PHE A 64 23.416 -11.634 2.197 1.00 23.14 C ATOM 921 CE1 PHE A 64 23.335 -8.884 1.985 1.00 22.10 C ATOM 922 CE2 PHE A 64 22.826 -11.044 1.094 1.00 23.23 C ATOM 923 CZ PHE A 64 22.785 -9.668 0.989 1.00 20.10 C ATOM 0 H PHE A 64 26.095 -12.226 6.267 1.00 65.55 H new ATOM 0 HA PHE A 64 26.254 -12.473 3.403 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.109 -12.449 4.606 1.00 11.52 H new ATOM 0 HB3 PHE A 64 24.465 -10.866 5.268 1.00 11.52 H new ATOM 0 HD1 PHE A 64 24.354 -8.864 3.860 1.00 2.21 H new ATOM 0 HD2 PHE A 64 23.443 -12.711 2.276 1.00 23.14 H new ATOM 0 HE1 PHE A 64 23.304 -7.807 1.905 1.00 22.10 H new ATOM 0 HE2 PHE A 64 22.398 -11.659 0.316 1.00 23.23 H new ATOM 0 HZ PHE A 64 22.324 -9.205 0.129 1.00 20.10 H new ATOM 933 N VAL A 65 27.647 -10.514 2.825 1.00 21.05 N ATOM 934 CA VAL A 65 28.393 -9.341 2.385 1.00 15.40 C ATOM 935 C VAL A 65 27.823 -8.781 1.087 1.00 44.42 C ATOM 936 O VAL A 65 26.851 -9.308 0.547 1.00 15.41 O ATOM 937 CB VAL A 65 29.884 -9.668 2.180 1.00 4.22 C ATOM 938 CG1 VAL A 65 30.523 -10.096 3.493 1.00 44.35 C ATOM 939 CG2 VAL A 65 30.051 -10.747 1.121 1.00 3.14 C ATOM 0 H VAL A 65 27.810 -11.352 2.266 1.00 21.05 H new ATOM 0 HA VAL A 65 28.298 -8.593 3.172 1.00 15.40 H new ATOM 0 HB VAL A 65 30.391 -8.768 1.833 1.00 4.22 H new ATOM 0 HG11 VAL A 65 31.576 -10.323 3.328 1.00 44.35 H new ATOM 0 HG12 VAL A 65 30.435 -9.289 4.220 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.016 -10.983 3.872 1.00 44.35 H new ATOM 0 HG21 VAL A 65 31.111 -10.966 0.989 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.530 -11.651 1.437 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.632 -10.398 0.177 1.00 3.14 H new ATOM 949 N GLU A 66 28.437 -7.712 0.590 1.00 71.12 N ATOM 950 CA GLU A 66 27.989 -7.081 -0.646 1.00 72.12 C ATOM 951 C GLU A 66 28.435 -7.888 -1.861 1.00 23.14 C ATOM 952 O GLU A 66 29.288 -8.769 -1.756 1.00 1.30 O ATOM 953 CB GLU A 66 28.532 -5.653 -0.742 1.00 3.54 C ATOM 954 CG GLU A 66 30.047 -5.583 -0.840 1.00 73.15 C ATOM 955 CD GLU A 66 30.572 -4.164 -0.745 1.00 11.41 C ATOM 956 OE1 GLU A 66 29.920 -3.332 -0.081 1.00 63.51 O ATOM 957 OE2 GLU A 66 31.638 -3.886 -1.336 1.00 4.44 O1- ATOM 0 H GLU A 66 29.245 -7.265 1.024 1.00 71.12 H new ATOM 0 HA GLU A 66 26.900 -7.048 -0.633 1.00 72.12 H new ATOM 0 HB2 GLU A 66 28.097 -5.166 -1.615 1.00 3.54 H new ATOM 0 HB3 GLU A 66 28.207 -5.090 0.133 1.00 3.54 H new ATOM 0 HG2 GLU A 66 30.487 -6.183 -0.044 1.00 73.15 H new ATOM 0 HG3 GLU A 66 30.367 -6.022 -1.785 1.00 73.15 H new ATOM 964 N GLY A 67 27.853 -7.582 -3.016 1.00 24.52 N ATOM 965 CA GLY A 67 28.201 -8.287 -4.235 1.00 43.11 C ATOM 966 C GLY A 67 26.986 -8.838 -4.954 1.00 53.01 C ATOM 967 O GLY A 67 25.851 -8.599 -4.541 1.00 30.33 O ATOM 0 H GLY A 67 27.145 -6.857 -3.129 1.00 24.52 H new ATOM 0 HA2 GLY A 67 28.738 -7.611 -4.901 1.00 43.11 H new ATOM 0 HA3 GLY A 67 28.880 -9.106 -3.996 1.00 43.11 H new ATOM 971 N ILE A 68 27.223 -9.575 -6.034 1.00 63.14 N ATOM 972 CA ILE A 68 26.138 -10.160 -6.812 1.00 74.20 C ATOM 973 C ILE A 68 25.774 -11.547 -6.292 1.00 31.45 C ATOM 974 O ILE A 68 26.640 -12.306 -5.859 1.00 12.54 O ATOM 975 CB ILE A 68 26.508 -10.264 -8.303 1.00 73.34 C ATOM 976 CG1 ILE A 68 27.086 -8.939 -8.802 1.00 50.12 C ATOM 977 CG2 ILE A 68 25.290 -10.660 -9.125 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.596 -8.938 -8.906 1.00 72.12 C ATOM 0 H ILE A 68 28.156 -9.781 -6.390 1.00 63.14 H new ATOM 0 HA ILE A 68 25.279 -9.497 -6.704 1.00 74.20 H new ATOM 0 HB ILE A 68 27.268 -11.037 -8.420 1.00 73.34 H new ATOM 0 HG12 ILE A 68 26.663 -8.713 -9.781 1.00 50.12 H new ATOM 0 HG13 ILE A 68 26.776 -8.140 -8.128 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.568 -10.729 -10.177 1.00 20.00 H new ATOM 0 HG22 ILE A 68 24.919 -11.626 -8.783 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.510 -9.908 -9.005 1.00 20.00 H new ATOM 0 HD11 ILE A 68 28.935 -7.967 -9.266 1.00 72.12 H new ATOM 0 HD12 ILE A 68 29.028 -9.132 -7.925 1.00 72.12 H new ATOM 0 HD13 ILE A 68 28.913 -9.714 -9.602 1.00 72.12 H new ATOM 990 N TYR A 69 24.486 -11.871 -6.340 1.00 70.53 N ATOM 991 CA TYR A 69 24.006 -13.165 -5.872 1.00 5.55 C ATOM 992 C TYR A 69 22.940 -13.722 -6.810 1.00 31.10 C ATOM 993 O TYR A 69 22.090 -12.984 -7.311 1.00 43.33 O ATOM 994 CB TYR A 69 23.442 -13.044 -4.455 1.00 75.15 C ATOM 995 CG TYR A 69 24.480 -12.671 -3.421 1.00 74.35 C ATOM 996 CD1 TYR A 69 24.820 -11.342 -3.197 1.00 43.05 C ATOM 997 CD2 TYR A 69 25.121 -13.647 -2.668 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.767 -10.997 -2.253 1.00 42.14 C ATOM 999 CE2 TYR A 69 26.069 -13.311 -1.722 1.00 72.34 C ATOM 1000 CZ TYR A 69 26.389 -11.985 -1.517 1.00 12.51 C ATOM 1001 OH TYR A 69 27.334 -11.646 -0.576 1.00 52.05 O ATOM 0 H TYR A 69 23.756 -11.255 -6.698 1.00 70.53 H new ATOM 0 HA TYR A 69 24.851 -13.854 -5.861 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.651 -12.294 -4.450 1.00 75.15 H new ATOM 0 HB3 TYR A 69 22.984 -13.992 -4.173 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.335 -10.566 -3.771 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.873 -14.686 -2.825 1.00 31.25 H new ATOM 0 HE1 TYR A 69 26.020 -9.959 -2.092 1.00 42.14 H new ATOM 0 HE2 TYR A 69 26.558 -14.083 -1.145 1.00 72.34 H new ATOM 0 HH TYR A 69 27.095 -10.788 -0.167 1.00 52.05 H new ATOM 1011 N LYS A 70 22.990 -15.028 -7.044 1.00 53.33 N ATOM 1012 CA LYS A 70 22.028 -15.688 -7.920 1.00 53.10 C ATOM 1013 C LYS A 70 21.127 -16.630 -7.128 1.00 14.23 C ATOM 1014 O LYS A 70 21.607 -17.450 -6.345 1.00 71.33 O ATOM 1015 CB LYS A 70 22.756 -16.465 -9.019 1.00 4.23 C ATOM 1016 CG LYS A 70 21.831 -17.017 -10.089 1.00 73.02 C ATOM 1017 CD LYS A 70 22.512 -18.098 -10.911 1.00 24.44 C ATOM 1018 CE LYS A 70 22.629 -19.399 -10.133 1.00 24.25 C ATOM 1019 NZ LYS A 70 23.349 -20.447 -10.909 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.688 -15.652 -6.639 1.00 53.33 H new ATOM 0 HA LYS A 70 21.406 -14.919 -8.379 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.491 -15.811 -9.488 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.306 -17.290 -8.566 1.00 4.23 H new ATOM 0 HG2 LYS A 70 20.935 -17.425 -9.621 1.00 73.02 H new ATOM 0 HG3 LYS A 70 21.509 -16.208 -10.745 1.00 73.02 H new ATOM 0 HD2 LYS A 70 21.947 -18.270 -11.827 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.505 -17.760 -11.208 1.00 24.44 H new ATOM 0 HE2 LYS A 70 23.155 -19.216 -9.196 1.00 24.25 H new ATOM 0 HE3 LYS A 70 21.633 -19.758 -9.875 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 23.009 -21.387 -10.622 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 23.172 -20.310 -11.925 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 24.370 -20.377 -10.723 1.00 5.14 H new ATOM 1033 N VAL A 71 19.820 -16.508 -7.337 1.00 73.11 N ATOM 1034 CA VAL A 71 18.853 -17.351 -6.645 1.00 34.45 C ATOM 1035 C VAL A 71 18.173 -18.315 -7.611 1.00 63.22 C ATOM 1036 O VAL A 71 17.783 -17.931 -8.714 1.00 63.42 O ATOM 1037 CB VAL A 71 17.777 -16.506 -5.937 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.708 -17.401 -5.330 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.410 -15.620 -4.875 1.00 13.51 C ATOM 0 H VAL A 71 19.407 -15.833 -7.980 1.00 73.11 H new ATOM 0 HA VAL A 71 19.407 -17.920 -5.898 1.00 34.45 H new ATOM 0 HB VAL A 71 17.300 -15.863 -6.676 1.00 32.41 H new ATOM 0 HG11 VAL A 71 15.957 -16.786 -4.834 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.235 -17.988 -6.117 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.165 -18.072 -4.603 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.636 -15.030 -4.385 1.00 13.51 H new ATOM 0 HG22 VAL A 71 18.915 -16.242 -4.136 1.00 13.51 H new ATOM 0 HG23 VAL A 71 19.134 -14.952 -5.342 1.00 13.51 H new ATOM 1049 N GLU A 72 18.034 -19.567 -7.188 1.00 52.24 N ATOM 1050 CA GLU A 72 17.401 -20.587 -8.017 1.00 34.02 C ATOM 1051 C GLU A 72 16.209 -21.211 -7.297 1.00 45.41 C ATOM 1052 O GLU A 72 16.358 -21.803 -6.227 1.00 32.53 O ATOM 1053 CB GLU A 72 18.412 -21.673 -8.390 1.00 24.24 C ATOM 1054 CG GLU A 72 19.537 -21.177 -9.283 1.00 50.22 C ATOM 1055 CD GLU A 72 20.475 -22.289 -9.711 1.00 65.25 C ATOM 1056 OE1 GLU A 72 20.020 -23.206 -10.425 1.00 13.41 O ATOM 1057 OE2 GLU A 72 21.663 -22.242 -9.330 1.00 24.10 O1- ATOM 0 H GLU A 72 18.351 -19.900 -6.277 1.00 52.24 H new ATOM 0 HA GLU A 72 17.042 -20.107 -8.928 1.00 34.02 H new ATOM 0 HB2 GLU A 72 18.840 -22.088 -7.477 1.00 24.24 H new ATOM 0 HB3 GLU A 72 17.890 -22.486 -8.895 1.00 24.24 H new ATOM 0 HG2 GLU A 72 19.112 -20.705 -10.168 1.00 50.22 H new ATOM 0 HG3 GLU A 72 20.105 -20.411 -8.755 1.00 50.22 H new ATOM 1064 N ILE A 73 15.028 -21.073 -7.891 1.00 61.12 N ATOM 1065 CA ILE A 73 13.811 -21.623 -7.306 1.00 75.21 C ATOM 1066 C ILE A 73 13.363 -22.876 -8.050 1.00 61.50 C ATOM 1067 O ILE A 73 13.279 -22.885 -9.279 1.00 61.15 O ATOM 1068 CB ILE A 73 12.666 -20.594 -7.319 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.149 -19.253 -6.762 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.480 -21.111 -6.517 1.00 45.44 C ATOM 1071 CD1 ILE A 73 12.081 -18.182 -6.754 1.00 64.32 C ATOM 0 H ILE A 73 14.888 -20.586 -8.776 1.00 61.12 H new ATOM 0 HA ILE A 73 14.045 -21.880 -6.273 1.00 75.21 H new ATOM 0 HB ILE A 73 12.345 -20.443 -8.350 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.512 -19.401 -5.745 1.00 2.24 H new ATOM 0 HG13 ILE A 73 13.995 -18.906 -7.355 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.679 -20.372 -6.535 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.124 -22.044 -6.954 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.787 -21.287 -5.486 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.494 -17.259 -6.346 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.735 -18.006 -7.772 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.243 -18.508 -6.137 1.00 64.32 H new ATOM 1083 N ASP A 74 13.072 -23.932 -7.298 1.00 20.43 N ATOM 1084 CA ASP A 74 12.628 -25.191 -7.885 1.00 51.21 C ATOM 1085 C ASP A 74 11.109 -25.308 -7.835 1.00 25.22 C ATOM 1086 O ASP A 74 10.552 -25.951 -6.945 1.00 75.54 O ATOM 1087 CB ASP A 74 13.267 -26.372 -7.154 1.00 1.22 C ATOM 1088 CG ASP A 74 14.653 -26.696 -7.677 1.00 72.00 C ATOM 1089 OD1 ASP A 74 15.017 -26.178 -8.754 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 15.373 -27.468 -7.012 1.00 5.22 O ATOM 0 H ASP A 74 13.136 -23.941 -6.280 1.00 20.43 H new ATOM 0 HA ASP A 74 12.941 -25.207 -8.929 1.00 51.21 H new ATOM 0 HB2 ASP A 74 13.327 -26.147 -6.089 1.00 1.22 H new ATOM 0 HB3 ASP A 74 12.628 -27.249 -7.259 1.00 1.22 H new ATOM 1095 N THR A 75 10.439 -24.678 -8.798 1.00 25.23 N ATOM 1096 CA THR A 75 8.983 -24.711 -8.863 1.00 73.01 C ATOM 1097 C THR A 75 8.478 -26.110 -9.189 1.00 65.31 C ATOM 1098 O THR A 75 7.345 -26.465 -8.862 1.00 53.44 O ATOM 1099 CB THR A 75 8.447 -23.723 -9.916 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.642 -24.256 -11.230 1.00 31.11 O ATOM 1101 CG2 THR A 75 9.144 -22.377 -9.801 1.00 30.20 C ATOM 0 H THR A 75 10.882 -24.140 -9.542 1.00 25.23 H new ATOM 0 HA THR A 75 8.615 -24.418 -7.880 1.00 73.01 H new ATOM 0 HB THR A 75 7.382 -23.578 -9.737 1.00 32.14 H new ATOM 0 HG1 THR A 75 7.814 -24.682 -11.536 1.00 31.11 H new ATOM 0 HG21 THR A 75 8.748 -21.697 -10.555 1.00 30.20 H new ATOM 0 HG22 THR A 75 8.969 -21.960 -8.809 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.215 -22.507 -9.956 1.00 30.20 H new ATOM 1109 N LYS A 76 9.324 -26.903 -9.837 1.00 33.31 N ATOM 1110 CA LYS A 76 8.964 -28.267 -10.207 1.00 53.53 C ATOM 1111 C LYS A 76 8.469 -29.048 -8.994 1.00 52.22 C ATOM 1112 O LYS A 76 7.559 -29.869 -9.102 1.00 33.40 O ATOM 1113 CB LYS A 76 10.164 -28.982 -10.832 1.00 42.11 C ATOM 1114 CG LYS A 76 11.362 -29.086 -9.903 1.00 35.11 C ATOM 1115 CD LYS A 76 11.404 -30.432 -9.197 1.00 64.45 C ATOM 1116 CE LYS A 76 12.269 -31.429 -9.952 1.00 4.34 C ATOM 1117 NZ LYS A 76 12.722 -32.546 -9.076 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.264 -26.625 -10.117 1.00 33.31 H new ATOM 0 HA LYS A 76 8.157 -28.217 -10.938 1.00 53.53 H new ATOM 0 HB2 LYS A 76 9.862 -29.984 -11.135 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.461 -28.452 -11.737 1.00 42.11 H new ATOM 0 HG2 LYS A 76 12.280 -28.944 -10.474 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.320 -28.287 -9.163 1.00 35.11 H new ATOM 0 HD2 LYS A 76 11.793 -30.303 -8.187 1.00 64.45 H new ATOM 0 HD3 LYS A 76 10.392 -30.826 -9.101 1.00 64.45 H new ATOM 0 HE2 LYS A 76 11.707 -31.833 -10.794 1.00 4.34 H new ATOM 0 HE3 LYS A 76 13.138 -30.916 -10.365 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 13.309 -33.204 -9.628 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 13.280 -32.163 -8.286 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 11.894 -33.052 -8.702 1.00 11.00 H new ATOM 1131 N SER A 77 9.075 -28.786 -7.840 1.00 50.35 N ATOM 1132 CA SER A 77 8.697 -29.467 -6.607 1.00 24.21 C ATOM 1133 C SER A 77 7.292 -29.061 -6.172 1.00 74.33 C ATOM 1134 O SER A 77 6.559 -29.857 -5.584 1.00 24.13 O ATOM 1135 CB SER A 77 9.699 -29.147 -5.496 1.00 2.11 C ATOM 1136 OG SER A 77 11.023 -29.452 -5.900 1.00 64.04 O ATOM 0 H SER A 77 9.829 -28.108 -7.733 1.00 50.35 H new ATOM 0 HA SER A 77 8.705 -30.540 -6.796 1.00 24.21 H new ATOM 0 HB2 SER A 77 9.630 -28.092 -5.232 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.448 -29.716 -4.601 1.00 2.11 H new ATOM 0 HG SER A 77 11.644 -29.237 -5.173 1.00 64.04 H new ATOM 1142 N TYR A 78 6.923 -27.819 -6.465 1.00 62.35 N ATOM 1143 CA TYR A 78 5.607 -27.307 -6.103 1.00 72.42 C ATOM 1144 C TYR A 78 4.566 -27.693 -7.148 1.00 51.41 C ATOM 1145 O TYR A 78 3.380 -27.818 -6.842 1.00 23.54 O ATOM 1146 CB TYR A 78 5.654 -25.786 -5.951 1.00 12.14 C ATOM 1147 CG TYR A 78 4.364 -25.190 -5.434 1.00 1.42 C ATOM 1148 CD1 TYR A 78 3.735 -25.712 -4.311 1.00 30.23 C ATOM 1149 CD2 TYR A 78 3.773 -24.105 -6.070 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.557 -25.171 -3.835 1.00 24.52 C ATOM 1151 CE2 TYR A 78 2.596 -23.556 -5.602 1.00 34.34 C ATOM 1152 CZ TYR A 78 1.991 -24.093 -4.483 1.00 21.50 C ATOM 1153 OH TYR A 78 0.816 -23.550 -4.014 1.00 72.23 O ATOM 0 H TYR A 78 7.517 -27.148 -6.952 1.00 62.35 H new ATOM 0 HA TYR A 78 5.321 -27.753 -5.150 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.465 -25.522 -5.272 1.00 12.14 H new ATOM 0 HB3 TYR A 78 5.889 -25.340 -6.917 1.00 12.14 H new ATOM 0 HD1 TYR A 78 4.175 -26.556 -3.801 1.00 30.23 H new ATOM 0 HD2 TYR A 78 4.243 -23.684 -6.946 1.00 70.41 H new ATOM 0 HE1 TYR A 78 2.082 -25.590 -2.960 1.00 24.52 H new ATOM 0 HE2 TYR A 78 2.151 -22.712 -6.108 1.00 34.34 H new ATOM 0 HH TYR A 78 0.677 -22.670 -4.422 1.00 72.23 H new ATOM 1163 N TRP A 79 5.018 -27.882 -8.383 1.00 73.24 N ATOM 1164 CA TRP A 79 4.125 -28.254 -9.475 1.00 62.55 C ATOM 1165 C TRP A 79 3.820 -29.747 -9.442 1.00 11.32 C ATOM 1166 O TRP A 79 2.790 -30.192 -9.950 1.00 34.45 O ATOM 1167 CB TRP A 79 4.749 -27.878 -10.820 1.00 35.20 C ATOM 1168 CG TRP A 79 4.919 -26.400 -11.003 1.00 34.11 C ATOM 1169 CD1 TRP A 79 6.057 -25.748 -11.386 1.00 52.43 C ATOM 1170 CD2 TRP A 79 3.922 -25.392 -10.810 1.00 52.00 C ATOM 1171 NE1 TRP A 79 5.826 -24.395 -11.442 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.524 -24.150 -11.093 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.578 -25.417 -10.427 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 3.828 -22.948 -11.004 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 1.889 -24.222 -10.337 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.514 -23.002 -10.626 1.00 2.41 C ATOM 0 H TRP A 79 5.997 -27.784 -8.653 1.00 73.24 H new ATOM 0 HA TRP A 79 3.190 -27.708 -9.351 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.721 -28.362 -10.909 1.00 35.20 H new ATOM 0 HB3 TRP A 79 4.124 -28.267 -11.624 1.00 35.20 H new ATOM 0 HD1 TRP A 79 6.999 -26.226 -11.611 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.513 -23.687 -11.702 1.00 13.12 H new ATOM 0 HE3 TRP A 79 2.087 -26.353 -10.205 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.308 -22.006 -11.225 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 0.851 -24.229 -10.039 1.00 34.34 H new ATOM 0 HH2 TRP A 79 1.947 -22.086 -10.549 1.00 2.41 H new ATOM 1187 N LYS A 80 4.719 -30.518 -8.841 1.00 14.35 N ATOM 1188 CA LYS A 80 4.545 -31.962 -8.739 1.00 74.13 C ATOM 1189 C LYS A 80 3.588 -32.317 -7.606 1.00 72.35 C ATOM 1190 O LYS A 80 3.022 -33.410 -7.578 1.00 42.42 O ATOM 1191 CB LYS A 80 5.896 -32.645 -8.513 1.00 2.35 C ATOM 1192 CG LYS A 80 6.399 -32.540 -7.084 1.00 11.13 C ATOM 1193 CD LYS A 80 6.273 -33.864 -6.349 1.00 4.54 C ATOM 1194 CE LYS A 80 7.583 -34.637 -6.365 1.00 14.23 C ATOM 1195 NZ LYS A 80 7.452 -35.963 -5.700 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.577 -30.166 -8.416 1.00 14.35 H new ATOM 0 HA LYS A 80 4.117 -32.318 -9.676 1.00 74.13 H new ATOM 0 HB2 LYS A 80 5.811 -33.698 -8.783 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.634 -32.203 -9.182 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.442 -32.222 -7.087 1.00 11.13 H new ATOM 0 HG3 LYS A 80 5.834 -31.773 -6.554 1.00 11.13 H new ATOM 0 HD2 LYS A 80 5.969 -33.682 -5.318 1.00 4.54 H new ATOM 0 HD3 LYS A 80 5.489 -34.465 -6.811 1.00 4.54 H new ATOM 0 HE2 LYS A 80 7.909 -34.778 -7.395 1.00 14.23 H new ATOM 0 HE3 LYS A 80 8.355 -34.054 -5.863 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 8.366 -36.459 -5.732 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 7.165 -35.828 -4.709 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 6.733 -36.530 -6.194 1.00 15.12 H new ATOM 1209 N ALA A 81 3.411 -31.386 -6.675 1.00 25.24 N ATOM 1210 CA ALA A 81 2.519 -31.600 -5.540 1.00 60.14 C ATOM 1211 C ALA A 81 1.069 -31.720 -5.997 1.00 25.04 C ATOM 1212 O ALA A 81 0.295 -32.499 -5.440 1.00 75.40 O ATOM 1213 CB ALA A 81 2.665 -30.468 -4.534 1.00 62.23 C ATOM 0 H ALA A 81 3.873 -30.476 -6.683 1.00 25.24 H new ATOM 0 HA ALA A 81 2.800 -32.537 -5.060 1.00 60.14 H new ATOM 0 HB1 ALA A 81 1.994 -30.640 -3.692 1.00 62.23 H new ATOM 0 HB2 ALA A 81 3.694 -30.430 -4.176 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.412 -29.522 -5.012 1.00 62.23 H new ATOM 1219 N LEU A 82 0.708 -30.944 -7.014 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.650 -30.964 -7.546 1.00 42.14 C ATOM 1221 C LEU A 82 -0.690 -31.637 -8.914 1.00 63.11 C ATOM 1222 O LEU A 82 -1.733 -32.126 -9.346 1.00 71.54 O ATOM 1223 CB LEU A 82 -1.198 -29.540 -7.648 1.00 1.31 C ATOM 1224 CG LEU A 82 -0.162 -28.417 -7.618 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.721 -28.470 -8.855 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -0.845 -27.062 -7.506 1.00 52.23 C ATOM 0 H LEU A 82 1.336 -30.294 -7.486 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.274 -31.539 -6.862 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.767 -29.457 -8.574 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -1.899 -29.382 -6.828 1.00 1.31 H new ATOM 0 HG LEU A 82 0.469 -28.557 -6.740 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.452 -27.662 -8.815 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.240 -29.428 -8.891 1.00 30.23 H new ATOM 0 HD13 LEU A 82 0.105 -28.358 -9.747 1.00 30.23 H new ATOM 0 HD21 LEU A 82 -0.091 -26.275 -7.486 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.502 -26.914 -8.363 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.432 -27.025 -6.588 1.00 52.23 H new ATOM 1238 N GLY A 83 0.455 -31.659 -9.590 1.00 74.15 N ATOM 1239 CA GLY A 83 0.529 -32.275 -10.902 1.00 24.44 C ATOM 1240 C GLY A 83 0.275 -31.287 -12.023 1.00 53.33 C ATOM 1241 O GLY A 83 -0.493 -31.567 -12.943 1.00 44.53 O ATOM 0 H GLY A 83 1.332 -31.262 -9.253 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.514 -32.724 -11.034 1.00 24.44 H new ATOM 0 HA3 GLY A 83 -0.200 -33.083 -10.962 1.00 24.44 H new ATOM 1245 N ILE A 84 0.920 -30.128 -11.946 1.00 11.52 N ATOM 1246 CA ILE A 84 0.760 -29.096 -12.961 1.00 73.53 C ATOM 1247 C ILE A 84 1.761 -29.280 -14.096 1.00 73.31 C ATOM 1248 O ILE A 84 2.917 -29.638 -13.866 1.00 12.13 O ATOM 1249 CB ILE A 84 0.930 -27.687 -12.364 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.436 -27.044 -12.117 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.771 -26.819 -13.288 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.392 -27.932 -11.351 1.00 31.45 C ATOM 0 H ILE A 84 1.559 -29.881 -11.190 1.00 11.52 H new ATOM 0 HA ILE A 84 -0.252 -29.195 -13.354 1.00 73.53 H new ATOM 0 HB ILE A 84 1.447 -27.774 -11.408 1.00 20.52 H new ATOM 0 HG12 ILE A 84 -0.296 -26.114 -11.566 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -0.884 -26.783 -13.076 1.00 42.11 H new ATOM 0 HG21 ILE A 84 1.882 -25.826 -12.853 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.754 -27.271 -13.417 1.00 54.52 H new ATOM 0 HG23 ILE A 84 1.280 -26.737 -14.257 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.340 -27.412 -11.212 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.561 -28.852 -11.910 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -0.964 -28.173 -10.378 1.00 31.45 H new ATOM 1264 N SER A 85 1.311 -29.032 -15.322 1.00 52.21 N ATOM 1265 CA SER A 85 2.167 -29.171 -16.493 1.00 24.12 C ATOM 1266 C SER A 85 3.457 -28.373 -16.323 1.00 3.33 C ATOM 1267 O SER A 85 3.461 -27.142 -16.345 1.00 53.24 O ATOM 1268 CB SER A 85 1.429 -28.707 -17.751 1.00 54.52 C ATOM 1269 OG SER A 85 2.079 -29.165 -18.923 1.00 23.32 O ATOM 0 H SER A 85 0.358 -28.734 -15.530 1.00 52.21 H new ATOM 0 HA SER A 85 2.424 -30.225 -16.599 1.00 24.12 H new ATOM 0 HB2 SER A 85 0.404 -29.077 -17.732 1.00 54.52 H new ATOM 0 HB3 SER A 85 1.375 -27.618 -17.764 1.00 54.52 H new ATOM 0 HG SER A 85 1.587 -28.856 -19.712 1.00 23.32 H new ATOM 1275 N PRO A 86 4.577 -29.090 -16.149 1.00 42.12 N ATOM 1276 CA PRO A 86 5.893 -28.469 -15.971 1.00 71.24 C ATOM 1277 C PRO A 86 6.399 -27.807 -17.249 1.00 40.35 C ATOM 1278 O PRO A 86 7.032 -28.452 -18.083 1.00 12.43 O ATOM 1279 CB PRO A 86 6.792 -29.648 -15.588 1.00 45.12 C ATOM 1280 CG PRO A 86 6.120 -30.842 -16.174 1.00 24.31 C ATOM 1281 CD PRO A 86 4.645 -30.560 -16.112 1.00 65.12 C ATOM 0 HA PRO A 86 5.871 -27.672 -15.227 1.00 71.24 H new ATOM 0 HB2 PRO A 86 7.799 -29.524 -15.987 1.00 45.12 H new ATOM 0 HB3 PRO A 86 6.887 -29.738 -14.506 1.00 45.12 H new ATOM 0 HG2 PRO A 86 6.443 -31.006 -17.202 1.00 24.31 H new ATOM 0 HG3 PRO A 86 6.369 -31.744 -15.614 1.00 24.31 H new ATOM 0 HD2 PRO A 86 4.115 -31.008 -16.952 1.00 65.12 H new ATOM 0 HD3 PRO A 86 4.197 -30.960 -15.202 1.00 65.12 H new ATOM 1289 N MET A 87 6.114 -26.517 -17.393 1.00 43.33 N ATOM 1290 CA MET A 87 6.542 -25.768 -18.569 1.00 1.42 C ATOM 1291 C MET A 87 7.941 -25.193 -18.368 1.00 55.04 C ATOM 1292 O MET A 87 8.671 -24.959 -19.331 1.00 10.13 O ATOM 1293 CB MET A 87 5.554 -24.639 -18.868 1.00 20.04 C ATOM 1294 CG MET A 87 4.121 -25.116 -19.040 1.00 72.24 C ATOM 1295 SD MET A 87 3.854 -25.959 -20.612 1.00 22.31 S ATOM 1296 CE MET A 87 2.364 -25.146 -21.183 1.00 35.42 C ATOM 0 H MET A 87 5.589 -25.969 -16.711 1.00 43.33 H new ATOM 0 HA MET A 87 6.568 -26.454 -19.416 1.00 1.42 H new ATOM 0 HB2 MET A 87 5.591 -23.911 -18.058 1.00 20.04 H new ATOM 0 HB3 MET A 87 5.868 -24.123 -19.775 1.00 20.04 H new ATOM 0 HG2 MET A 87 3.866 -25.790 -18.223 1.00 72.24 H new ATOM 0 HG3 MET A 87 3.447 -24.262 -18.971 1.00 72.24 H new ATOM 0 HE1 MET A 87 2.071 -25.560 -22.148 1.00 35.42 H new ATOM 0 HE2 MET A 87 1.563 -25.306 -20.461 1.00 35.42 H new ATOM 0 HE3 MET A 87 2.550 -24.077 -21.288 1.00 35.42 H new ATOM 1306 N HIS A 88 8.310 -24.970 -17.111 1.00 0.52 N ATOM 1307 CA HIS A 88 9.622 -24.424 -16.783 1.00 51.21 C ATOM 1308 C HIS A 88 10.267 -25.204 -15.641 1.00 23.12 C ATOM 1309 O HIS A 88 9.691 -25.328 -14.561 1.00 50.35 O ATOM 1310 CB HIS A 88 9.504 -22.947 -16.405 1.00 24.12 C ATOM 1311 CG HIS A 88 9.416 -22.031 -17.587 1.00 62.11 C ATOM 1312 ND1 HIS A 88 10.523 -21.485 -18.200 1.00 74.54 N ATOM 1313 CD2 HIS A 88 8.342 -21.567 -18.268 1.00 20.22 C ATOM 1314 CE1 HIS A 88 10.134 -20.723 -19.207 1.00 21.10 C ATOM 1315 NE2 HIS A 88 8.815 -20.756 -19.270 1.00 3.14 N ATOM 0 H HIS A 88 7.718 -25.159 -16.302 1.00 0.52 H new ATOM 0 HA HIS A 88 10.256 -24.516 -17.665 1.00 51.21 H new ATOM 0 HB2 HIS A 88 8.620 -22.809 -15.783 1.00 24.12 H new ATOM 0 HB3 HIS A 88 10.366 -22.665 -15.801 1.00 24.12 H new ATOM 0 HD2 HIS A 88 7.306 -21.793 -18.062 1.00 20.22 H new ATOM 0 HE1 HIS A 88 10.784 -20.167 -19.867 1.00 21.10 H new ATOM 0 HE2 HIS A 88 8.241 -20.260 -19.952 1.00 3.14 H new ATOM 1323 N GLU A 89 11.462 -25.728 -15.889 1.00 53.32 N ATOM 1324 CA GLU A 89 12.184 -26.497 -14.882 1.00 13.34 C ATOM 1325 C GLU A 89 12.298 -25.713 -13.578 1.00 2.34 C ATOM 1326 O GLU A 89 11.678 -26.063 -12.574 1.00 33.31 O ATOM 1327 CB GLU A 89 13.577 -26.868 -15.391 1.00 13.54 C ATOM 1328 CG GLU A 89 13.617 -28.179 -16.158 1.00 22.51 C ATOM 1329 CD GLU A 89 15.026 -28.713 -16.328 1.00 44.10 C ATOM 1330 OE1 GLU A 89 15.696 -28.954 -15.301 1.00 31.10 O1- ATOM 1331 OE2 GLU A 89 15.459 -28.891 -17.485 1.00 63.34 O ATOM 0 H GLU A 89 11.952 -25.634 -16.779 1.00 53.32 H new ATOM 0 HA GLU A 89 11.622 -27.411 -14.689 1.00 13.34 H new ATOM 0 HB2 GLU A 89 13.944 -26.069 -16.035 1.00 13.54 H new ATOM 0 HB3 GLU A 89 14.259 -26.932 -14.543 1.00 13.54 H new ATOM 0 HG2 GLU A 89 13.012 -28.920 -15.635 1.00 22.51 H new ATOM 0 HG3 GLU A 89 13.166 -28.035 -17.140 1.00 22.51 H new ATOM 1338 N HIS A 90 13.096 -24.650 -13.602 1.00 12.33 N ATOM 1339 CA HIS A 90 13.293 -23.815 -12.422 1.00 64.04 C ATOM 1340 C HIS A 90 13.459 -22.350 -12.814 1.00 64.34 C ATOM 1341 O HIS A 90 13.685 -22.032 -13.982 1.00 61.10 O ATOM 1342 CB HIS A 90 14.516 -24.287 -11.636 1.00 14.33 C ATOM 1343 CG HIS A 90 15.721 -24.531 -12.493 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.341 -25.758 -12.586 1.00 21.34 N ATOM 1345 CD2 HIS A 90 16.418 -23.696 -13.297 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.369 -25.667 -13.410 1.00 42.11 C ATOM 1347 NE2 HIS A 90 17.438 -24.426 -13.857 1.00 64.31 N ATOM 0 H HIS A 90 13.616 -24.347 -14.425 1.00 12.33 H new ATOM 0 HA HIS A 90 12.408 -23.905 -11.792 1.00 64.04 H new ATOM 0 HB2 HIS A 90 14.763 -23.541 -10.881 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.265 -25.206 -11.106 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.211 -22.650 -13.467 1.00 24.13 H new ATOM 0 HE1 HIS A 90 18.040 -26.471 -13.674 1.00 42.11 H new ATOM 0 HE2 HIS A 90 18.134 -24.068 -14.511 1.00 64.31 H new ATOM 1355 N ALA A 91 13.345 -21.462 -11.833 1.00 30.43 N ATOM 1356 CA ALA A 91 13.484 -20.033 -12.075 1.00 4.31 C ATOM 1357 C ALA A 91 14.767 -19.492 -11.453 1.00 13.54 C ATOM 1358 O ALA A 91 14.955 -19.559 -10.239 1.00 55.12 O ATOM 1359 CB ALA A 91 12.275 -19.285 -11.531 1.00 53.12 C ATOM 0 H ALA A 91 13.156 -21.708 -10.861 1.00 30.43 H new ATOM 0 HA ALA A 91 13.540 -19.877 -13.152 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.393 -18.218 -11.719 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.372 -19.643 -12.026 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.193 -19.458 -10.458 1.00 53.12 H new ATOM 1365 N GLU A 92 15.647 -18.957 -12.294 1.00 71.53 N ATOM 1366 CA GLU A 92 16.914 -18.407 -11.825 1.00 22.11 C ATOM 1367 C GLU A 92 16.974 -16.901 -12.063 1.00 21.04 C ATOM 1368 O GLU A 92 16.716 -16.425 -13.169 1.00 35.42 O ATOM 1369 CB GLU A 92 18.085 -19.093 -12.530 1.00 20.12 C ATOM 1370 CG GLU A 92 17.972 -20.609 -12.566 1.00 3.34 C ATOM 1371 CD GLU A 92 19.314 -21.289 -12.752 1.00 5.13 C ATOM 1372 OE1 GLU A 92 20.345 -20.585 -12.727 1.00 51.43 O ATOM 1373 OE2 GLU A 92 19.333 -22.526 -12.923 1.00 1.44 O1- ATOM 0 H GLU A 92 15.506 -18.893 -13.302 1.00 71.53 H new ATOM 0 HA GLU A 92 16.987 -18.591 -10.753 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.153 -18.718 -13.551 1.00 20.12 H new ATOM 0 HB3 GLU A 92 19.012 -18.818 -12.027 1.00 20.12 H new ATOM 0 HG2 GLU A 92 17.517 -20.958 -11.639 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.305 -20.901 -13.377 1.00 3.34 H new ATOM 1380 N VAL A 93 17.315 -16.156 -11.017 1.00 13.33 N ATOM 1381 CA VAL A 93 17.411 -14.704 -11.111 1.00 70.50 C ATOM 1382 C VAL A 93 18.690 -14.193 -10.458 1.00 3.53 C ATOM 1383 O VAL A 93 19.082 -14.658 -9.387 1.00 12.13 O ATOM 1384 CB VAL A 93 16.201 -14.019 -10.449 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.304 -12.506 -10.584 1.00 23.41 C ATOM 1386 CG2 VAL A 93 14.902 -14.528 -11.055 1.00 45.53 C ATOM 0 H VAL A 93 17.530 -16.534 -10.094 1.00 13.33 H new ATOM 0 HA VAL A 93 17.425 -14.456 -12.172 1.00 70.50 H new ATOM 0 HB VAL A 93 16.202 -14.267 -9.388 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.440 -12.039 -10.111 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.216 -12.159 -10.099 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.329 -12.236 -11.640 1.00 23.41 H new ATOM 0 HG21 VAL A 93 14.058 -14.033 -10.575 1.00 45.53 H new ATOM 0 HG22 VAL A 93 14.890 -14.312 -12.123 1.00 45.53 H new ATOM 0 HG23 VAL A 93 14.826 -15.604 -10.902 1.00 45.53 H new ATOM 1396 N VAL A 94 19.339 -13.234 -11.111 1.00 2.22 N ATOM 1397 CA VAL A 94 20.574 -12.658 -10.593 1.00 2.02 C ATOM 1398 C VAL A 94 20.333 -11.269 -10.012 1.00 12.31 C ATOM 1399 O VAL A 94 19.640 -10.446 -10.610 1.00 50.11 O ATOM 1400 CB VAL A 94 21.652 -12.563 -11.689 1.00 14.01 C ATOM 1401 CG1 VAL A 94 22.919 -11.927 -11.139 1.00 20.21 C ATOM 1402 CG2 VAL A 94 21.944 -13.940 -12.268 1.00 30.43 C ATOM 0 H VAL A 94 19.030 -12.840 -12.000 1.00 2.22 H new ATOM 0 HA VAL A 94 20.925 -13.323 -9.804 1.00 2.02 H new ATOM 0 HB VAL A 94 21.276 -11.928 -12.491 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.669 -11.869 -11.928 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.695 -10.924 -10.776 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.303 -12.532 -10.318 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.708 -13.855 -13.041 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.300 -14.599 -11.477 1.00 30.43 H new ATOM 0 HG23 VAL A 94 21.033 -14.353 -12.702 1.00 30.43 H new ATOM 1412 N PHE A 95 20.909 -11.014 -8.842 1.00 1.21 N ATOM 1413 CA PHE A 95 20.756 -9.725 -8.179 1.00 71.43 C ATOM 1414 C PHE A 95 22.117 -9.108 -7.868 1.00 71.25 C ATOM 1415 O PHE A 95 22.961 -9.730 -7.225 1.00 40.21 O ATOM 1416 CB PHE A 95 19.948 -9.883 -6.889 1.00 71.11 C ATOM 1417 CG PHE A 95 18.671 -10.651 -7.071 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.669 -12.036 -7.048 1.00 51.32 C ATOM 1419 CD2 PHE A 95 17.470 -9.986 -7.266 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.494 -12.744 -7.216 1.00 43.10 C ATOM 1421 CE2 PHE A 95 16.291 -10.689 -7.434 1.00 42.40 C ATOM 1422 CZ PHE A 95 16.304 -12.069 -7.408 1.00 23.11 C ATOM 0 H PHE A 95 21.486 -11.684 -8.333 1.00 1.21 H new ATOM 0 HA PHE A 95 20.221 -9.059 -8.855 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.563 -10.388 -6.144 1.00 71.11 H new ATOM 0 HB3 PHE A 95 19.715 -8.895 -6.493 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.596 -12.569 -6.897 1.00 51.32 H new ATOM 0 HD2 PHE A 95 17.455 -8.906 -7.287 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.506 -13.824 -7.197 1.00 43.10 H new ATOM 0 HE2 PHE A 95 15.362 -10.159 -7.585 1.00 42.40 H new ATOM 0 HZ PHE A 95 15.385 -12.621 -7.538 1.00 23.11 H new ATOM 1432 N THR A 96 22.322 -7.879 -8.333 1.00 53.44 N ATOM 1433 CA THR A 96 23.579 -7.178 -8.107 1.00 53.12 C ATOM 1434 C THR A 96 23.414 -6.073 -7.070 1.00 30.54 C ATOM 1435 O THR A 96 22.472 -5.284 -7.135 1.00 64.13 O ATOM 1436 CB THR A 96 24.122 -6.564 -9.412 1.00 32.55 C ATOM 1437 OG1 THR A 96 24.088 -7.538 -10.462 1.00 35.50 O ATOM 1438 CG2 THR A 96 25.546 -6.063 -9.223 1.00 22.52 C ATOM 0 H THR A 96 21.634 -7.350 -8.868 1.00 53.44 H new ATOM 0 HA THR A 96 24.290 -7.916 -7.737 1.00 53.12 H new ATOM 0 HB THR A 96 23.490 -5.718 -9.681 1.00 32.55 H new ATOM 0 HG1 THR A 96 24.433 -7.140 -11.289 1.00 35.50 H new ATOM 0 HG21 THR A 96 25.908 -5.634 -10.157 1.00 22.52 H new ATOM 0 HG22 THR A 96 25.563 -5.301 -8.443 1.00 22.52 H new ATOM 0 HG23 THR A 96 26.189 -6.894 -8.933 1.00 22.52 H new ATOM 1446 N ALA A 97 24.337 -6.021 -6.114 1.00 62.01 N ATOM 1447 CA ALA A 97 24.294 -5.011 -5.065 1.00 43.35 C ATOM 1448 C ALA A 97 25.394 -3.971 -5.259 1.00 12.42 C ATOM 1449 O ALA A 97 26.549 -4.316 -5.504 1.00 52.21 O ATOM 1450 CB ALA A 97 24.418 -5.664 -3.697 1.00 10.43 C ATOM 0 H ALA A 97 25.123 -6.667 -6.045 1.00 62.01 H new ATOM 0 HA ALA A 97 23.333 -4.501 -5.125 1.00 43.35 H new ATOM 0 HB1 ALA A 97 24.384 -4.897 -2.923 1.00 10.43 H new ATOM 0 HB2 ALA A 97 23.594 -6.363 -3.551 1.00 10.43 H new ATOM 0 HB3 ALA A 97 25.365 -6.201 -3.635 1.00 10.43 H new ATOM 1456 N ASN A 98 25.026 -2.699 -5.147 1.00 22.42 N ATOM 1457 CA ASN A 98 25.982 -1.610 -5.311 1.00 70.24 C ATOM 1458 C ASN A 98 26.742 -1.354 -4.013 1.00 0.21 C ATOM 1459 O ASN A 98 26.569 -2.071 -3.028 1.00 44.32 O ATOM 1460 CB ASN A 98 25.262 -0.335 -5.754 1.00 53.32 C ATOM 1461 CG ASN A 98 24.131 -0.616 -6.723 1.00 65.42 C ATOM 1462 OD1 ASN A 98 22.958 -0.436 -6.395 1.00 61.01 O ATOM 1463 ND2 ASN A 98 24.478 -1.061 -7.925 1.00 50.32 N ATOM 0 H ASN A 98 24.073 -2.397 -4.943 1.00 22.42 H new ATOM 0 HA ASN A 98 26.698 -1.900 -6.079 1.00 70.24 H new ATOM 0 HB2 ASN A 98 24.867 0.179 -4.878 1.00 53.32 H new ATOM 0 HB3 ASN A 98 25.979 0.339 -6.222 1.00 53.32 H new ATOM 0 HD21 ASN A 98 23.760 -1.268 -8.619 1.00 50.32 H new ATOM 0 HD22 ASN A 98 25.463 -1.196 -8.154 1.00 50.32 H new ATOM 1470 N ASP A 99 27.585 -0.327 -4.021 1.00 15.12 N ATOM 1471 CA ASP A 99 28.371 0.026 -2.844 1.00 4.24 C ATOM 1472 C ASP A 99 27.723 1.178 -2.084 1.00 73.21 C ATOM 1473 O ASP A 99 28.313 2.249 -1.938 1.00 53.11 O ATOM 1474 CB ASP A 99 29.796 0.404 -3.251 1.00 62.12 C ATOM 1475 CG ASP A 99 30.639 -0.807 -3.599 1.00 13.14 C ATOM 1476 OD1 ASP A 99 30.594 -1.246 -4.767 1.00 55.13 O ATOM 1477 OD2 ASP A 99 31.344 -1.317 -2.703 1.00 52.50 O1- ATOM 0 H ASP A 99 27.742 0.275 -4.829 1.00 15.12 H new ATOM 0 HA ASP A 99 28.408 -0.843 -2.187 1.00 4.24 H new ATOM 0 HB2 ASP A 99 29.760 1.076 -4.108 1.00 62.12 H new ATOM 0 HB3 ASP A 99 30.270 0.951 -2.436 1.00 62.12 H new ATOM 1482 N SER A 100 26.505 0.952 -1.601 1.00 64.11 N ATOM 1483 CA SER A 100 25.776 1.973 -0.860 1.00 51.44 C ATOM 1484 C SER A 100 25.623 1.576 0.606 1.00 2.13 C ATOM 1485 O SER A 100 26.119 2.259 1.501 1.00 24.13 O ATOM 1486 CB SER A 100 24.397 2.201 -1.484 1.00 72.33 C ATOM 1487 OG SER A 100 23.661 0.992 -1.548 1.00 61.25 O ATOM 0 H SER A 100 26.003 0.071 -1.710 1.00 64.11 H new ATOM 0 HA SER A 100 26.348 2.900 -0.910 1.00 51.44 H new ATOM 0 HB2 SER A 100 23.846 2.936 -0.897 1.00 72.33 H new ATOM 0 HB3 SER A 100 24.511 2.614 -2.486 1.00 72.33 H new ATOM 0 HG SER A 100 22.855 1.128 -2.088 1.00 61.25 H new ATOM 1493 N GLY A 101 24.931 0.465 0.842 1.00 42.21 N ATOM 1494 CA GLY A 101 24.724 -0.005 2.200 1.00 53.22 C ATOM 1495 C GLY A 101 23.568 -0.979 2.306 1.00 10.13 C ATOM 1496 O GLY A 101 22.752 -1.110 1.392 1.00 41.01 O ATOM 0 H GLY A 101 24.510 -0.117 0.118 1.00 42.21 H new ATOM 0 HA2 GLY A 101 25.634 -0.486 2.557 1.00 53.22 H new ATOM 0 HA3 GLY A 101 24.537 0.848 2.852 1.00 53.22 H new ATOM 1500 N PRO A 102 23.487 -1.687 3.442 1.00 72.31 N ATOM 1501 CA PRO A 102 22.426 -2.668 3.690 1.00 62.41 C ATOM 1502 C PRO A 102 21.064 -2.012 3.887 1.00 55.41 C ATOM 1503 O PRO A 102 20.976 -0.832 4.226 1.00 30.03 O ATOM 1504 CB PRO A 102 22.877 -3.358 4.980 1.00 3.05 C ATOM 1505 CG PRO A 102 23.740 -2.356 5.666 1.00 21.03 C ATOM 1506 CD PRO A 102 24.424 -1.582 4.573 1.00 22.35 C ATOM 0 HA PRO A 102 22.295 -3.348 2.848 1.00 62.41 H new ATOM 0 HB2 PRO A 102 22.024 -3.635 5.599 1.00 3.05 H new ATOM 0 HB3 PRO A 102 23.427 -4.274 4.767 1.00 3.05 H new ATOM 0 HG2 PRO A 102 23.145 -1.696 6.298 1.00 21.03 H new ATOM 0 HG3 PRO A 102 24.468 -2.846 6.312 1.00 21.03 H new ATOM 0 HD2 PRO A 102 24.592 -0.544 4.860 1.00 22.35 H new ATOM 0 HD3 PRO A 102 25.398 -2.007 4.329 1.00 22.35 H new ATOM 1514 N ARG A 103 20.004 -2.784 3.671 1.00 52.42 N ATOM 1515 CA ARG A 103 18.645 -2.277 3.823 1.00 64.24 C ATOM 1516 C ARG A 103 17.651 -3.424 3.976 1.00 1.20 C ATOM 1517 O ARG A 103 17.946 -4.566 3.624 1.00 43.01 O ATOM 1518 CB ARG A 103 18.263 -1.413 2.620 1.00 21.14 C ATOM 1519 CG ARG A 103 17.349 -0.250 2.971 1.00 71.15 C ATOM 1520 CD ARG A 103 18.143 0.958 3.445 1.00 40.02 C ATOM 1521 NE ARG A 103 18.646 0.783 4.805 1.00 23.44 N ATOM 1522 CZ ARG A 103 17.868 0.780 5.881 1.00 72.30 C ATOM 1523 NH1 ARG A 103 16.558 0.940 5.757 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 18.399 0.614 7.086 1.00 23.55 N ATOM 0 H ARG A 103 20.060 -3.763 3.390 1.00 52.42 H new ATOM 0 HA ARG A 103 18.610 -1.667 4.725 1.00 64.24 H new ATOM 0 HB2 ARG A 103 19.171 -1.024 2.160 1.00 21.14 H new ATOM 0 HB3 ARG A 103 17.771 -2.039 1.875 1.00 21.14 H new ATOM 0 HG2 ARG A 103 16.754 0.023 2.099 1.00 71.15 H new ATOM 0 HG3 ARG A 103 16.651 -0.557 3.750 1.00 71.15 H new ATOM 0 HD2 ARG A 103 18.980 1.130 2.768 1.00 40.02 H new ATOM 0 HD3 ARG A 103 17.512 1.846 3.403 1.00 40.02 H new ATOM 0 HE ARG A 103 19.650 0.656 4.935 1.00 23.44 H new ATOM 0 HH11 ARG A 103 16.145 1.066 4.833 1.00 12.31 H new ATOM 0 HH12 ARG A 103 15.963 0.937 6.586 1.00 12.31 H new ATOM 0 HH21 ARG A 103 19.406 0.488 7.187 1.00 23.55 H new ATOM 0 HH22 ARG A 103 17.800 0.612 7.911 1.00 23.55 H new ATOM 1538 N ARG A 104 16.472 -3.111 4.506 1.00 42.23 N ATOM 1539 CA ARG A 104 15.435 -4.116 4.708 1.00 3.34 C ATOM 1540 C ARG A 104 14.437 -4.106 3.555 1.00 11.24 C ATOM 1541 O ARG A 104 13.580 -3.225 3.470 1.00 3.33 O ATOM 1542 CB ARG A 104 14.707 -3.869 6.031 1.00 1.21 C ATOM 1543 CG ARG A 104 14.094 -5.124 6.631 1.00 52.32 C ATOM 1544 CD ARG A 104 13.302 -4.808 7.890 1.00 23.35 C ATOM 1545 NE ARG A 104 12.115 -4.008 7.603 1.00 23.43 N ATOM 1546 CZ ARG A 104 11.168 -3.749 8.499 1.00 61.22 C ATOM 1547 NH1 ARG A 104 11.270 -4.224 9.732 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 10.118 -3.011 8.162 1.00 61.40 N ATOM 0 H ARG A 104 16.212 -2.170 4.803 1.00 42.23 H new ATOM 0 HA ARG A 104 15.913 -5.095 4.742 1.00 3.34 H new ATOM 0 HB2 ARG A 104 15.407 -3.439 6.747 1.00 1.21 H new ATOM 0 HB3 ARG A 104 13.921 -3.131 5.871 1.00 1.21 H new ATOM 0 HG2 ARG A 104 13.441 -5.598 5.898 1.00 52.32 H new ATOM 0 HG3 ARG A 104 14.882 -5.839 6.865 1.00 52.32 H new ATOM 0 HD2 ARG A 104 13.004 -5.738 8.374 1.00 23.35 H new ATOM 0 HD3 ARG A 104 13.939 -4.272 8.594 1.00 23.35 H new ATOM 0 HE ARG A 104 12.006 -3.627 6.663 1.00 23.43 H new ATOM 0 HH11 ARG A 104 12.077 -4.790 9.995 1.00 21.23 H new ATOM 0 HH12 ARG A 104 10.542 -4.024 10.418 1.00 21.23 H new ATOM 0 HH21 ARG A 104 10.037 -2.642 7.215 1.00 61.40 H new ATOM 0 HH22 ARG A 104 9.392 -2.813 8.850 1.00 61.40 H new ATOM 1562 N TYR A 105 14.553 -5.089 2.669 1.00 64.52 N ATOM 1563 CA TYR A 105 13.663 -5.191 1.519 1.00 43.23 C ATOM 1564 C TYR A 105 13.156 -6.620 1.347 1.00 12.34 C ATOM 1565 O TYR A 105 13.754 -7.569 1.856 1.00 73.32 O ATOM 1566 CB TYR A 105 14.382 -4.736 0.248 1.00 4.01 C ATOM 1567 CG TYR A 105 14.653 -3.250 0.204 1.00 12.10 C ATOM 1568 CD1 TYR A 105 13.680 -2.335 0.583 1.00 71.31 C ATOM 1569 CD2 TYR A 105 15.884 -2.760 -0.215 1.00 32.04 C ATOM 1570 CE1 TYR A 105 13.924 -0.975 0.544 1.00 24.24 C ATOM 1571 CE2 TYR A 105 16.138 -1.403 -0.257 1.00 72.42 C ATOM 1572 CZ TYR A 105 15.153 -0.514 0.124 1.00 22.41 C ATOM 1573 OH TYR A 105 15.401 0.839 0.084 1.00 41.31 O ATOM 0 H TYR A 105 15.255 -5.827 2.725 1.00 64.52 H new ATOM 0 HA TYR A 105 12.807 -4.540 1.696 1.00 43.23 H new ATOM 0 HB2 TYR A 105 15.328 -5.272 0.164 1.00 4.01 H new ATOM 0 HB3 TYR A 105 13.781 -5.013 -0.618 1.00 4.01 H new ATOM 0 HD1 TYR A 105 12.716 -2.692 0.914 1.00 71.31 H new ATOM 0 HD2 TYR A 105 16.657 -3.453 -0.513 1.00 32.04 H new ATOM 0 HE1 TYR A 105 13.155 -0.277 0.841 1.00 24.24 H new ATOM 0 HE2 TYR A 105 17.101 -1.040 -0.586 1.00 72.42 H new ATOM 0 HH TYR A 105 14.874 1.289 0.777 1.00 41.31 H new ATOM 1583 N THR A 106 12.051 -6.766 0.624 1.00 61.33 N ATOM 1584 CA THR A 106 11.462 -8.077 0.384 1.00 12.11 C ATOM 1585 C THR A 106 11.337 -8.360 -1.108 1.00 32.31 C ATOM 1586 O THR A 106 10.923 -7.494 -1.880 1.00 11.53 O ATOM 1587 CB THR A 106 10.071 -8.197 1.035 1.00 42.34 C ATOM 1588 OG1 THR A 106 10.180 -8.044 2.455 1.00 34.34 O ATOM 1589 CG2 THR A 106 9.436 -9.541 0.713 1.00 20.22 C ATOM 0 H THR A 106 11.545 -5.992 0.194 1.00 61.33 H new ATOM 0 HA THR A 106 12.131 -8.810 0.835 1.00 12.11 H new ATOM 0 HB THR A 106 9.437 -7.408 0.632 1.00 42.34 H new ATOM 0 HG1 THR A 106 9.291 -8.120 2.861 1.00 34.34 H new ATOM 0 HG21 THR A 106 8.455 -9.602 1.184 1.00 20.22 H new ATOM 0 HG22 THR A 106 9.327 -9.643 -0.367 1.00 20.22 H new ATOM 0 HG23 THR A 106 10.070 -10.343 1.091 1.00 20.22 H new ATOM 1597 N ILE A 107 11.697 -9.575 -1.509 1.00 71.42 N ATOM 1598 CA ILE A 107 11.623 -9.970 -2.910 1.00 74.04 C ATOM 1599 C ILE A 107 10.364 -10.786 -3.185 1.00 33.14 C ATOM 1600 O ILE A 107 10.294 -11.969 -2.853 1.00 43.14 O ATOM 1601 CB ILE A 107 12.855 -10.793 -3.328 1.00 63.22 C ATOM 1602 CG1 ILE A 107 14.136 -9.986 -3.099 1.00 62.44 C ATOM 1603 CG2 ILE A 107 12.742 -11.212 -4.786 1.00 32.41 C ATOM 1604 CD1 ILE A 107 14.159 -8.666 -3.838 1.00 2.32 C ATOM 0 H ILE A 107 12.043 -10.303 -0.883 1.00 71.42 H new ATOM 0 HA ILE A 107 11.593 -9.051 -3.496 1.00 74.04 H new ATOM 0 HB ILE A 107 12.898 -11.692 -2.713 1.00 63.22 H new ATOM 0 HG12 ILE A 107 14.251 -9.798 -2.032 1.00 62.44 H new ATOM 0 HG13 ILE A 107 14.993 -10.583 -3.412 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.620 -11.793 -5.067 1.00 32.41 H new ATOM 0 HG22 ILE A 107 11.847 -11.819 -4.922 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.678 -10.325 -5.416 1.00 32.41 H new ATOM 0 HD11 ILE A 107 15.095 -8.148 -3.629 1.00 2.32 H new ATOM 0 HD12 ILE A 107 14.076 -8.847 -4.910 1.00 2.32 H new ATOM 0 HD13 ILE A 107 13.323 -8.050 -3.508 1.00 2.32 H new ATOM 1616 N ALA A 108 9.372 -10.147 -3.795 1.00 44.40 N ATOM 1617 CA ALA A 108 8.117 -10.814 -4.119 1.00 61.41 C ATOM 1618 C ALA A 108 8.145 -11.377 -5.536 1.00 62.14 C ATOM 1619 O ALA A 108 8.177 -10.627 -6.511 1.00 70.45 O ATOM 1620 CB ALA A 108 6.950 -9.852 -3.954 1.00 74.04 C ATOM 0 H ALA A 108 9.413 -9.167 -4.075 1.00 44.40 H new ATOM 0 HA ALA A 108 7.987 -11.647 -3.428 1.00 61.41 H new ATOM 0 HB1 ALA A 108 6.019 -10.364 -4.199 1.00 74.04 H new ATOM 0 HB2 ALA A 108 6.910 -9.501 -2.923 1.00 74.04 H new ATOM 0 HB3 ALA A 108 7.083 -9.001 -4.622 1.00 74.04 H new ATOM 1626 N ALA A 109 8.132 -12.702 -5.641 1.00 63.14 N ATOM 1627 CA ALA A 109 8.154 -13.364 -6.940 1.00 74.21 C ATOM 1628 C ALA A 109 6.931 -14.258 -7.120 1.00 35.54 C ATOM 1629 O ALA A 109 6.547 -14.991 -6.209 1.00 62.10 O ATOM 1630 CB ALA A 109 9.431 -14.177 -7.095 1.00 25.13 C ATOM 0 H ALA A 109 8.106 -13.337 -4.843 1.00 63.14 H new ATOM 0 HA ALA A 109 8.128 -12.596 -7.713 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.435 -14.666 -8.069 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.295 -13.516 -7.017 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.479 -14.932 -6.310 1.00 25.13 H new ATOM 1636 N MET A 110 6.325 -14.191 -8.300 1.00 70.32 N ATOM 1637 CA MET A 110 5.145 -14.994 -8.601 1.00 45.12 C ATOM 1638 C MET A 110 5.480 -16.100 -9.596 1.00 15.33 C ATOM 1639 O MET A 110 6.308 -15.916 -10.488 1.00 41.41 O ATOM 1640 CB MET A 110 4.028 -14.111 -9.158 1.00 74.03 C ATOM 1641 CG MET A 110 3.271 -13.339 -8.090 1.00 13.10 C ATOM 1642 SD MET A 110 1.532 -13.105 -8.503 1.00 31.04 S ATOM 1643 CE MET A 110 0.743 -13.983 -7.156 1.00 0.14 C ATOM 0 H MET A 110 6.631 -13.589 -9.064 1.00 70.32 H new ATOM 0 HA MET A 110 4.804 -15.455 -7.674 1.00 45.12 H new ATOM 0 HB2 MET A 110 4.456 -13.405 -9.870 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.325 -14.735 -9.710 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.347 -13.870 -7.141 1.00 13.10 H new ATOM 0 HG3 MET A 110 3.741 -12.366 -7.949 1.00 13.10 H new ATOM 0 HE1 MET A 110 -0.300 -14.176 -7.409 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.257 -14.929 -6.988 1.00 0.14 H new ATOM 0 HE3 MET A 110 0.791 -13.379 -6.250 1.00 0.14 H new ATOM 1653 N LEU A 111 4.831 -17.250 -9.436 1.00 31.10 N ATOM 1654 CA LEU A 111 5.061 -18.386 -10.322 1.00 3.04 C ATOM 1655 C LEU A 111 3.915 -18.541 -11.316 1.00 63.32 C ATOM 1656 O LEU A 111 2.757 -18.688 -10.927 1.00 10.01 O ATOM 1657 CB LEU A 111 5.220 -19.669 -9.505 1.00 34.42 C ATOM 1658 CG LEU A 111 6.655 -20.103 -9.206 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.489 -18.913 -8.756 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.674 -21.199 -8.151 1.00 11.55 C ATOM 0 H LEU A 111 4.143 -17.419 -8.702 1.00 31.10 H new ATOM 0 HA LEU A 111 5.979 -18.201 -10.880 1.00 3.04 H new ATOM 0 HB2 LEU A 111 4.696 -19.540 -8.558 1.00 34.42 H new ATOM 0 HB3 LEU A 111 4.721 -20.479 -10.037 1.00 34.42 H new ATOM 0 HG LEU A 111 7.091 -20.502 -10.122 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.508 -19.241 -8.547 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.504 -18.160 -9.544 1.00 40.44 H new ATOM 0 HD13 LEU A 111 7.054 -18.484 -7.853 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.704 -21.495 -7.952 1.00 11.55 H new ATOM 0 HD22 LEU A 111 6.219 -20.828 -7.233 1.00 11.55 H new ATOM 0 HD23 LEU A 111 6.113 -22.061 -8.512 1.00 11.55 H new ATOM 1672 N SER A 112 4.247 -18.510 -12.603 1.00 73.51 N ATOM 1673 CA SER A 112 3.246 -18.646 -13.654 1.00 51.32 C ATOM 1674 C SER A 112 3.857 -19.257 -14.911 1.00 24.21 C ATOM 1675 O SER A 112 4.421 -18.565 -15.758 1.00 14.52 O ATOM 1676 CB SER A 112 2.633 -17.283 -13.983 1.00 2.41 C ATOM 1677 OG SER A 112 1.295 -17.420 -14.430 1.00 5.42 O ATOM 0 H SER A 112 5.202 -18.392 -12.943 1.00 73.51 H new ATOM 0 HA SER A 112 2.463 -19.312 -13.291 1.00 51.32 H new ATOM 0 HB2 SER A 112 2.661 -16.645 -13.099 1.00 2.41 H new ATOM 0 HB3 SER A 112 3.228 -16.789 -14.751 1.00 2.41 H new ATOM 0 HG SER A 112 0.925 -16.535 -14.632 1.00 5.42 H new ATOM 1683 N PRO A 113 3.744 -20.589 -15.035 1.00 54.43 N ATOM 1684 CA PRO A 113 4.278 -21.324 -16.184 1.00 23.13 C ATOM 1685 C PRO A 113 3.503 -21.040 -17.466 1.00 42.52 C ATOM 1686 O PRO A 113 4.048 -21.131 -18.566 1.00 32.13 O ATOM 1687 CB PRO A 113 4.115 -22.790 -15.774 1.00 11.42 C ATOM 1688 CG PRO A 113 2.992 -22.786 -14.795 1.00 14.31 C ATOM 1689 CD PRO A 113 3.084 -21.477 -14.063 1.00 11.21 C ATOM 0 HA PRO A 113 5.307 -21.041 -16.406 1.00 23.13 H new ATOM 0 HB2 PRO A 113 3.888 -23.419 -16.635 1.00 11.42 H new ATOM 0 HB3 PRO A 113 5.029 -23.180 -15.327 1.00 11.42 H new ATOM 0 HG2 PRO A 113 2.032 -22.883 -15.302 1.00 14.31 H new ATOM 0 HG3 PRO A 113 3.074 -23.626 -14.105 1.00 14.31 H new ATOM 0 HD2 PRO A 113 2.099 -21.104 -13.782 1.00 11.21 H new ATOM 0 HD3 PRO A 113 3.664 -21.570 -13.145 1.00 11.21 H new ATOM 1697 N TYR A 114 2.228 -20.696 -17.317 1.00 23.21 N ATOM 1698 CA TYR A 114 1.377 -20.401 -18.463 1.00 4.41 C ATOM 1699 C TYR A 114 1.620 -18.982 -18.971 1.00 5.12 C ATOM 1700 O TYR A 114 2.094 -18.784 -20.090 1.00 62.34 O ATOM 1701 CB TYR A 114 -0.096 -20.575 -18.090 1.00 10.22 C ATOM 1702 CG TYR A 114 -0.375 -21.832 -17.298 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.667 -23.029 -17.939 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -0.347 -21.823 -15.909 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -0.924 -24.181 -17.220 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -0.600 -22.969 -15.182 1.00 70.43 C ATOM 1707 CZ TYR A 114 -0.889 -24.146 -15.841 1.00 23.21 C ATOM 1708 OH TYR A 114 -1.144 -25.289 -15.120 1.00 44.10 O ATOM 0 H TYR A 114 1.762 -20.615 -16.413 1.00 23.21 H new ATOM 0 HA TYR A 114 1.628 -21.101 -19.259 1.00 4.41 H new ATOM 0 HB2 TYR A 114 -0.420 -19.711 -17.510 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -0.694 -20.590 -19.001 1.00 10.22 H new ATOM 0 HD1 TYR A 114 -0.694 -23.060 -19.018 1.00 54.30 H new ATOM 0 HD2 TYR A 114 -0.123 -20.903 -15.389 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -1.151 -25.103 -17.734 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -0.572 -22.944 -14.103 1.00 70.43 H new ATOM 0 HH TYR A 114 -0.865 -26.072 -15.639 1.00 44.10 H new ATOM 1718 N SER A 115 1.293 -17.998 -18.139 1.00 54.30 N ATOM 1719 CA SER A 115 1.472 -16.598 -18.504 1.00 50.32 C ATOM 1720 C SER A 115 2.876 -16.119 -18.147 1.00 24.11 C ATOM 1721 O SER A 115 3.673 -16.865 -17.578 1.00 43.12 O ATOM 1722 CB SER A 115 0.429 -15.728 -17.799 1.00 73.32 C ATOM 1723 OG SER A 115 0.158 -14.554 -18.544 1.00 23.24 O ATOM 0 H SER A 115 0.903 -18.145 -17.208 1.00 54.30 H new ATOM 0 HA SER A 115 1.340 -16.509 -19.582 1.00 50.32 H new ATOM 0 HB2 SER A 115 -0.491 -16.296 -17.662 1.00 73.32 H new ATOM 0 HB3 SER A 115 0.787 -15.458 -16.806 1.00 73.32 H new ATOM 0 HG SER A 115 -0.512 -14.016 -18.074 1.00 23.24 H new ATOM 1729 N TYR A 116 3.171 -14.869 -18.485 1.00 51.11 N ATOM 1730 CA TYR A 116 4.479 -14.289 -18.202 1.00 44.22 C ATOM 1731 C TYR A 116 4.742 -14.243 -16.700 1.00 31.31 C ATOM 1732 O TYR A 116 3.915 -13.758 -15.928 1.00 23.43 O ATOM 1733 CB TYR A 116 4.574 -12.881 -18.792 1.00 65.40 C ATOM 1734 CG TYR A 116 3.624 -11.893 -18.154 1.00 71.35 C ATOM 1735 CD1 TYR A 116 2.301 -11.804 -18.569 1.00 11.14 C ATOM 1736 CD2 TYR A 116 4.048 -11.049 -17.135 1.00 61.42 C ATOM 1737 CE1 TYR A 116 1.429 -10.902 -17.991 1.00 2.33 C ATOM 1738 CE2 TYR A 116 3.184 -10.145 -16.550 1.00 43.15 C ATOM 1739 CZ TYR A 116 1.875 -10.074 -16.981 1.00 73.22 C ATOM 1740 OH TYR A 116 1.010 -9.176 -16.401 1.00 0.32 O ATOM 0 H TYR A 116 2.522 -14.238 -18.955 1.00 51.11 H new ATOM 0 HA TYR A 116 5.236 -14.921 -18.665 1.00 44.22 H new ATOM 0 HB2 TYR A 116 5.595 -12.516 -18.678 1.00 65.40 H new ATOM 0 HB3 TYR A 116 4.370 -12.930 -19.862 1.00 65.40 H new ATOM 0 HD1 TYR A 116 1.948 -12.452 -19.358 1.00 11.14 H new ATOM 0 HD2 TYR A 116 5.072 -11.101 -16.795 1.00 61.42 H new ATOM 0 HE1 TYR A 116 0.404 -10.845 -18.327 1.00 2.33 H new ATOM 0 HE2 TYR A 116 3.531 -9.497 -15.759 1.00 43.15 H new ATOM 0 HH TYR A 116 1.481 -8.670 -15.706 1.00 0.32 H new ATOM 1750 N SER A 117 5.900 -14.752 -16.293 1.00 62.40 N ATOM 1751 CA SER A 117 6.273 -14.772 -14.883 1.00 41.11 C ATOM 1752 C SER A 117 6.295 -13.360 -14.306 1.00 1.43 C ATOM 1753 O SER A 117 5.959 -12.392 -14.989 1.00 74.14 O ATOM 1754 CB SER A 117 7.642 -15.430 -14.705 1.00 43.31 C ATOM 1755 OG SER A 117 8.654 -14.687 -15.362 1.00 60.44 O ATOM 0 H SER A 117 6.596 -15.156 -16.919 1.00 62.40 H new ATOM 0 HA SER A 117 5.526 -15.354 -14.343 1.00 41.11 H new ATOM 0 HB2 SER A 117 7.876 -15.509 -13.643 1.00 43.31 H new ATOM 0 HB3 SER A 117 7.616 -16.445 -15.102 1.00 43.31 H new ATOM 0 HG SER A 117 9.520 -15.127 -15.232 1.00 60.44 H new ATOM 1761 N THR A 118 6.696 -13.249 -13.043 1.00 44.23 N ATOM 1762 CA THR A 118 6.761 -11.957 -12.374 1.00 62.12 C ATOM 1763 C THR A 118 7.797 -11.970 -11.255 1.00 51.22 C ATOM 1764 O THR A 118 7.851 -12.906 -10.457 1.00 52.03 O ATOM 1765 CB THR A 118 5.394 -11.558 -11.787 1.00 41.11 C ATOM 1766 OG1 THR A 118 4.348 -12.272 -12.453 1.00 53.34 O ATOM 1767 CG2 THR A 118 5.163 -10.061 -11.925 1.00 30.23 C ATOM 0 H THR A 118 6.980 -14.039 -12.464 1.00 44.23 H new ATOM 0 HA THR A 118 7.052 -11.225 -13.128 1.00 62.12 H new ATOM 0 HB THR A 118 5.389 -11.814 -10.727 1.00 41.11 H new ATOM 0 HG1 THR A 118 3.482 -12.014 -12.073 1.00 53.34 H new ATOM 0 HG21 THR A 118 4.192 -9.802 -11.504 1.00 30.23 H new ATOM 0 HG22 THR A 118 5.945 -9.521 -11.391 1.00 30.23 H new ATOM 0 HG23 THR A 118 5.186 -9.785 -12.979 1.00 30.23 H new ATOM 1775 N MET A 119 8.618 -10.926 -11.202 1.00 51.10 N ATOM 1776 CA MET A 119 9.651 -10.818 -10.179 1.00 43.42 C ATOM 1777 C MET A 119 9.861 -9.363 -9.769 1.00 2.14 C ATOM 1778 O MET A 119 10.267 -8.533 -10.582 1.00 61.44 O ATOM 1779 CB MET A 119 10.966 -11.412 -10.687 1.00 20.41 C ATOM 1780 CG MET A 119 12.139 -11.186 -9.746 1.00 61.24 C ATOM 1781 SD MET A 119 11.924 -12.012 -8.159 1.00 43.35 S ATOM 1782 CE MET A 119 13.038 -13.402 -8.347 1.00 1.53 C ATOM 0 H MET A 119 8.588 -10.143 -11.855 1.00 51.10 H new ATOM 0 HA MET A 119 9.321 -11.379 -9.305 1.00 43.42 H new ATOM 0 HB2 MET A 119 10.836 -12.483 -10.841 1.00 20.41 H new ATOM 0 HB3 MET A 119 11.201 -10.976 -11.658 1.00 20.41 H new ATOM 0 HG2 MET A 119 13.053 -11.546 -10.218 1.00 61.24 H new ATOM 0 HG3 MET A 119 12.266 -10.116 -9.580 1.00 61.24 H new ATOM 0 HE1 MET A 119 13.209 -13.865 -7.375 1.00 1.53 H new ATOM 0 HE2 MET A 119 12.597 -14.133 -9.025 1.00 1.53 H new ATOM 0 HE3 MET A 119 13.987 -13.055 -8.755 1.00 1.53 H new ATOM 1792 N ALA A 120 9.580 -9.062 -8.506 1.00 51.45 N ATOM 1793 CA ALA A 120 9.739 -7.709 -7.989 1.00 71.34 C ATOM 1794 C ALA A 120 11.012 -7.585 -7.158 1.00 72.32 C ATOM 1795 O ALA A 120 11.241 -8.366 -6.235 1.00 32.22 O ATOM 1796 CB ALA A 120 8.526 -7.313 -7.162 1.00 12.35 C ATOM 0 H ALA A 120 9.241 -9.738 -7.821 1.00 51.45 H new ATOM 0 HA ALA A 120 9.823 -7.030 -8.838 1.00 71.34 H new ATOM 0 HB1 ALA A 120 8.659 -6.300 -6.783 1.00 12.35 H new ATOM 0 HB2 ALA A 120 7.632 -7.353 -7.785 1.00 12.35 H new ATOM 0 HB3 ALA A 120 8.416 -8.002 -6.325 1.00 12.35 H new ATOM 1802 N VAL A 121 11.838 -6.598 -7.492 1.00 53.02 N ATOM 1803 CA VAL A 121 13.088 -6.372 -6.777 1.00 21.22 C ATOM 1804 C VAL A 121 13.169 -4.943 -6.251 1.00 45.24 C ATOM 1805 O VAL A 121 12.661 -4.011 -6.874 1.00 55.42 O ATOM 1806 CB VAL A 121 14.308 -6.647 -7.676 1.00 74.22 C ATOM 1807 CG1 VAL A 121 15.592 -6.595 -6.864 1.00 73.31 C ATOM 1808 CG2 VAL A 121 14.162 -7.989 -8.375 1.00 33.42 C ATOM 0 H VAL A 121 11.663 -5.942 -8.254 1.00 53.02 H new ATOM 0 HA VAL A 121 13.102 -7.067 -5.937 1.00 21.22 H new ATOM 0 HB VAL A 121 14.358 -5.870 -8.439 1.00 74.22 H new ATOM 0 HG11 VAL A 121 16.443 -6.792 -7.516 1.00 73.31 H new ATOM 0 HG12 VAL A 121 15.699 -5.607 -6.415 1.00 73.31 H new ATOM 0 HG13 VAL A 121 15.556 -7.349 -6.077 1.00 73.31 H new ATOM 0 HG21 VAL A 121 15.033 -8.167 -9.006 1.00 33.42 H new ATOM 0 HG22 VAL A 121 14.086 -8.781 -7.630 1.00 33.42 H new ATOM 0 HG23 VAL A 121 13.263 -7.982 -8.991 1.00 33.42 H new ATOM 1818 N VAL A 122 13.811 -4.777 -5.100 1.00 24.04 N ATOM 1819 CA VAL A 122 13.961 -3.461 -4.489 1.00 52.24 C ATOM 1820 C VAL A 122 15.432 -3.091 -4.336 1.00 2.02 C ATOM 1821 O VAL A 122 16.240 -3.892 -3.864 1.00 64.54 O ATOM 1822 CB VAL A 122 13.281 -3.403 -3.109 1.00 41.24 C ATOM 1823 CG1 VAL A 122 13.271 -1.977 -2.580 1.00 71.54 C ATOM 1824 CG2 VAL A 122 11.869 -3.961 -3.187 1.00 53.13 C ATOM 0 H VAL A 122 14.236 -5.538 -4.571 1.00 24.04 H new ATOM 0 HA VAL A 122 13.477 -2.745 -5.154 1.00 52.24 H new ATOM 0 HB VAL A 122 13.852 -4.020 -2.415 1.00 41.24 H new ATOM 0 HG11 VAL A 122 12.787 -1.954 -1.604 1.00 71.54 H new ATOM 0 HG12 VAL A 122 14.295 -1.617 -2.485 1.00 71.54 H new ATOM 0 HG13 VAL A 122 12.724 -1.336 -3.271 1.00 71.54 H new ATOM 0 HG21 VAL A 122 11.404 -3.912 -2.203 1.00 53.13 H new ATOM 0 HG22 VAL A 122 11.284 -3.373 -3.895 1.00 53.13 H new ATOM 0 HG23 VAL A 122 11.906 -4.998 -3.520 1.00 53.13 H new ATOM 1834 N THR A 123 15.774 -1.871 -4.737 1.00 65.41 N ATOM 1835 CA THR A 123 17.148 -1.393 -4.645 1.00 45.23 C ATOM 1836 C THR A 123 17.257 -0.212 -3.688 1.00 73.22 C ATOM 1837 O THR A 123 16.294 0.529 -3.490 1.00 50.41 O ATOM 1838 CB THR A 123 17.690 -0.973 -6.025 1.00 11.34 C ATOM 1839 OG1 THR A 123 17.022 0.210 -6.474 1.00 23.43 O ATOM 1840 CG2 THR A 123 17.499 -2.087 -7.043 1.00 1.51 C ATOM 0 H THR A 123 15.118 -1.195 -5.129 1.00 65.41 H new ATOM 0 HA THR A 123 17.746 -2.221 -4.264 1.00 45.23 H new ATOM 0 HB THR A 123 18.757 -0.772 -5.926 1.00 11.34 H new ATOM 0 HG1 THR A 123 17.373 0.471 -7.351 1.00 23.43 H new ATOM 0 HG21 THR A 123 17.889 -1.768 -8.009 1.00 1.51 H new ATOM 0 HG22 THR A 123 18.033 -2.978 -6.712 1.00 1.51 H new ATOM 0 HG23 THR A 123 16.437 -2.315 -7.138 1.00 1.51 H new ATOM 1848 N ASN A 124 18.435 -0.041 -3.098 1.00 2.14 N ATOM 1849 CA ASN A 124 18.669 1.052 -2.161 1.00 14.35 C ATOM 1850 C ASN A 124 18.373 2.400 -2.812 1.00 21.24 C ATOM 1851 O ASN A 124 18.331 2.530 -4.036 1.00 34.35 O ATOM 1852 CB ASN A 124 20.114 1.022 -1.660 1.00 43.11 C ATOM 1853 CG ASN A 124 20.282 0.148 -0.432 1.00 33.41 C ATOM 1854 OD1 ASN A 124 19.954 0.556 0.683 1.00 65.11 O ATOM 1855 ND2 ASN A 124 20.795 -1.061 -0.630 1.00 53.22 N ATOM 0 H ASN A 124 19.242 -0.645 -3.252 1.00 2.14 H new ATOM 0 HA ASN A 124 17.995 0.921 -1.314 1.00 14.35 H new ATOM 0 HB2 ASN A 124 20.764 0.656 -2.455 1.00 43.11 H new ATOM 0 HB3 ASN A 124 20.436 2.037 -1.427 1.00 43.11 H new ATOM 0 HD21 ASN A 124 20.931 -1.693 0.159 1.00 53.22 H new ATOM 0 HD22 ASN A 124 21.053 -1.358 -1.571 1.00 53.22 H new ATOM 1862 N PRO A 125 18.164 3.428 -1.976 1.00 1.24 N ATOM 1863 CA PRO A 125 17.870 4.784 -2.448 1.00 4.12 C ATOM 1864 C PRO A 125 19.075 5.442 -3.110 1.00 22.32 C ATOM 1865 O PRO A 125 19.791 6.225 -2.485 1.00 40.34 O ATOM 1866 CB PRO A 125 17.490 5.531 -1.166 1.00 23.43 C ATOM 1867 CG PRO A 125 18.180 4.785 -0.075 1.00 21.31 C ATOM 1868 CD PRO A 125 18.198 3.345 -0.506 1.00 10.43 C ATOM 0 HA PRO A 125 17.090 4.790 -3.209 1.00 4.12 H new ATOM 0 HB2 PRO A 125 17.815 6.571 -1.202 1.00 23.43 H new ATOM 0 HB3 PRO A 125 16.410 5.540 -1.018 1.00 23.43 H new ATOM 0 HG2 PRO A 125 19.192 5.160 0.075 1.00 21.31 H new ATOM 0 HG3 PRO A 125 17.653 4.902 0.872 1.00 21.31 H new ATOM 0 HD2 PRO A 125 19.092 2.831 -0.153 1.00 10.43 H new ATOM 0 HD3 PRO A 125 17.341 2.798 -0.115 1.00 10.43 H new ATOM 1876 N LYS A 126 19.295 5.120 -4.380 1.00 1.50 N ATOM 1877 CA LYS A 126 20.413 5.680 -5.130 1.00 65.42 C ATOM 1878 C LYS A 126 20.423 7.203 -5.036 1.00 33.33 C ATOM 1879 O LYS A 126 21.478 7.830 -5.104 1.00 12.21 O ATOM 1880 CB LYS A 126 20.337 5.250 -6.597 1.00 4.33 C ATOM 1881 CG LYS A 126 19.267 5.980 -7.390 1.00 21.32 C ATOM 1882 CD LYS A 126 17.872 5.521 -6.998 1.00 73.25 C ATOM 1883 CE LYS A 126 16.824 6.024 -7.979 1.00 21.43 C ATOM 1884 NZ LYS A 126 16.866 5.280 -9.267 1.00 72.12 N1+ ATOM 0 H LYS A 126 18.713 4.473 -4.912 1.00 1.50 H new ATOM 0 HA LYS A 126 21.337 5.300 -4.694 1.00 65.42 H new ATOM 0 HB2 LYS A 126 21.305 5.420 -7.067 1.00 4.33 H new ATOM 0 HB3 LYS A 126 20.144 4.178 -6.643 1.00 4.33 H new ATOM 0 HG2 LYS A 126 19.358 7.053 -7.223 1.00 21.32 H new ATOM 0 HG3 LYS A 126 19.422 5.808 -8.455 1.00 21.32 H new ATOM 0 HD2 LYS A 126 17.843 4.432 -6.960 1.00 73.25 H new ATOM 0 HD3 LYS A 126 17.637 5.881 -5.996 1.00 73.25 H new ATOM 0 HE2 LYS A 126 15.834 5.925 -7.535 1.00 21.43 H new ATOM 0 HE3 LYS A 126 16.984 7.086 -8.168 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 16.045 5.545 -9.848 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 17.741 5.517 -9.776 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 16.841 4.258 -9.078 1.00 72.12 H new ATOM 1898 N GLU A 127 19.239 7.789 -4.878 1.00 63.52 N ATOM 1899 CA GLU A 127 19.114 9.238 -4.774 1.00 4.22 C ATOM 1900 C GLU A 127 19.711 9.742 -3.463 1.00 54.22 C ATOM 1901 O GLU A 127 20.262 8.968 -2.681 1.00 33.32 O ATOM 1902 CB GLU A 127 17.645 9.653 -4.871 1.00 12.12 C ATOM 1903 CG GLU A 127 16.746 8.949 -3.867 1.00 23.42 C ATOM 1904 CD GLU A 127 15.428 9.670 -3.661 1.00 72.31 C ATOM 1905 OE1 GLU A 127 15.028 10.445 -4.554 1.00 44.44 O1- ATOM 1906 OE2 GLU A 127 14.795 9.457 -2.605 1.00 54.12 O ATOM 0 H GLU A 127 18.355 7.283 -4.819 1.00 63.52 H new ATOM 0 HA GLU A 127 19.666 9.686 -5.601 1.00 4.22 H new ATOM 0 HB2 GLU A 127 17.570 10.730 -4.721 1.00 12.12 H new ATOM 0 HB3 GLU A 127 17.283 9.446 -5.878 1.00 12.12 H new ATOM 0 HG2 GLU A 127 16.551 7.933 -4.209 1.00 23.42 H new ATOM 0 HG3 GLU A 127 17.266 8.869 -2.912 1.00 23.42 H new TER 1913 GLU A 127