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 98 ASN : amide:sc= -0.506 K(o=-2.2,f=-5.5!) USER MOD Set 1.2: A 124 ASN : amide:sc= -1.74 X(o=-2.2,f=-2.7!) USER MOD Set 2.1: A 75 THR OG1 : rot 94:sc= 1.22 USER MOD Set 2.2: A 88 HIS : no HD1:sc= -0.294 X(o=0.92,f=0.85) USER MOD Set 3.1: A 31 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-0.28) USER MOD Set 3.2: A 46 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 3 THR OG1 : rot 66:sc= 0.395 USER MOD Set 4.2: A 52 SER OG : rot 164:sc= 1.24 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0671 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 8 SER OG : rot -111:sc= 0.13 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -82:sc= 0.459 USER MOD Single : A 13 MET CE :methyl -107:sc= -1.65 (180deg=-7.26!) 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 27 ASN : amide:sc= -3.37! K(o=-3.4!,f=-0.35) USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= -0.0129 (180deg=-0.18) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 102:sc= 0.219 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.051) USER MOD Single : A 59 THR OG1 : rot -166:sc= 1.2 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 16:sc= 1.26 USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= -2.97 (180deg=-3.03) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 80:sc= 0.0987 USER MOD Single : A 78 TYR OH : rot 150:sc= -0.5 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 -174:sc= -1.16 (180deg=-1.39) USER MOD Single : A 90 HIS : no HD1:sc= -0.492 K(o=-0.49,f=-1.1) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -72:sc= 0.349 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -166:sc= -0.296 (180deg=-0.816) USER MOD Single : A 112 SER OG : rot 151:sc= 0.132 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0.0483 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= -0.484 USER MOD Single : A 119 MET CE :methyl -147:sc= -3.54! (180deg=-4.39!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0463) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.030 -11.396 10.714 1.00 74.13 N ATOM 2 CA GLY A 1 3.826 -11.018 9.998 1.00 34.14 C ATOM 3 C GLY A 1 2.614 -11.814 10.439 1.00 1.51 C ATOM 4 O GLY A 1 2.628 -12.485 11.472 1.00 72.31 O ATOM 0 H1 GLY A 1 5.452 -10.553 11.153 1.00 74.13 H new ATOM 0 H2 GLY A 1 4.792 -12.089 11.452 1.00 74.13 H new ATOM 0 H3 GLY A 1 5.711 -11.818 10.050 1.00 74.13 H new ATOM 0 HA2 GLY A 1 3.634 -9.956 10.151 1.00 34.14 H new ATOM 0 HA3 GLY A 1 3.982 -11.163 8.929 1.00 34.14 H new ATOM 8 N PRO A 2 1.535 -11.745 9.647 1.00 21.03 N ATOM 9 CA PRO A 2 0.288 -12.459 9.942 1.00 2.31 C ATOM 10 C PRO A 2 0.432 -13.968 9.780 1.00 61.30 C ATOM 11 O PRO A 2 -0.332 -14.741 10.358 1.00 14.21 O ATOM 12 CB PRO A 2 -0.694 -11.901 8.909 1.00 23.42 C ATOM 13 CG PRO A 2 0.164 -11.444 7.779 1.00 33.11 C ATOM 14 CD PRO A 2 1.447 -10.965 8.401 1.00 34.03 C ATOM 0 HA PRO A 2 -0.030 -12.313 10.974 1.00 2.31 H new ATOM 0 HB2 PRO A 2 -1.403 -12.663 8.585 1.00 23.42 H new ATOM 0 HB3 PRO A 2 -1.277 -11.078 9.321 1.00 23.42 H new ATOM 0 HG2 PRO A 2 0.350 -12.257 7.077 1.00 33.11 H new ATOM 0 HG3 PRO A 2 -0.321 -10.644 7.219 1.00 33.11 H new ATOM 0 HD2 PRO A 2 2.302 -11.149 7.751 1.00 34.03 H new ATOM 0 HD3 PRO A 2 1.422 -9.893 8.599 1.00 34.03 H new ATOM 22 N THR A 3 1.418 -14.382 8.990 1.00 23.42 N ATOM 23 CA THR A 3 1.661 -15.800 8.751 1.00 41.32 C ATOM 24 C THR A 3 3.151 -16.081 8.588 1.00 20.13 C ATOM 25 O THR A 3 3.816 -15.487 7.741 1.00 54.11 O ATOM 26 CB THR A 3 0.917 -16.294 7.496 1.00 33.42 C ATOM 27 OG1 THR A 3 1.514 -15.737 6.320 1.00 11.12 O ATOM 28 CG2 THR A 3 -0.554 -15.911 7.555 1.00 11.31 C ATOM 0 H THR A 3 2.061 -13.756 8.505 1.00 23.42 H new ATOM 0 HA THR A 3 1.285 -16.337 9.622 1.00 41.32 H new ATOM 0 HB THR A 3 0.993 -17.381 7.460 1.00 33.42 H new ATOM 0 HG1 THR A 3 2.424 -16.086 6.219 1.00 11.12 H new ATOM 0 HG21 THR A 3 -1.060 -16.270 6.659 1.00 11.31 H new ATOM 0 HG22 THR A 3 -1.012 -16.362 8.435 1.00 11.31 H new ATOM 0 HG23 THR A 3 -0.646 -14.826 7.613 1.00 11.31 H new ATOM 36 N GLY A 4 3.669 -16.994 9.406 1.00 1.33 N ATOM 37 CA GLY A 4 5.077 -17.339 9.335 1.00 1.34 C ATOM 38 C GLY A 4 5.865 -16.800 10.512 1.00 45.41 C ATOM 39 O GLY A 4 5.595 -15.703 11.001 1.00 60.11 O ATOM 0 H GLY A 4 3.139 -17.500 10.115 1.00 1.33 H new ATOM 0 HA2 GLY A 4 5.181 -18.423 9.298 1.00 1.34 H new ATOM 0 HA3 GLY A 4 5.498 -16.947 8.409 1.00 1.34 H new ATOM 43 N THR A 5 6.843 -17.575 10.971 1.00 12.54 N ATOM 44 CA THR A 5 7.671 -17.171 12.100 1.00 74.23 C ATOM 45 C THR A 5 8.979 -17.955 12.131 1.00 64.14 C ATOM 46 O THR A 5 9.073 -19.047 11.572 1.00 14.45 O ATOM 47 CB THR A 5 6.935 -17.373 13.438 1.00 71.41 C ATOM 48 OG1 THR A 5 7.849 -17.215 14.530 1.00 32.23 O ATOM 49 CG2 THR A 5 6.293 -18.751 13.501 1.00 53.45 C ATOM 0 H THR A 5 7.081 -18.486 10.578 1.00 12.54 H new ATOM 0 HA THR A 5 7.888 -16.111 11.969 1.00 74.23 H new ATOM 0 HB THR A 5 6.149 -16.621 13.512 1.00 71.41 H new ATOM 0 HG1 THR A 5 7.372 -17.343 15.377 1.00 32.23 H new ATOM 0 HG21 THR A 5 5.779 -18.870 14.455 1.00 53.45 H new ATOM 0 HG22 THR A 5 5.576 -18.856 12.687 1.00 53.45 H new ATOM 0 HG23 THR A 5 7.064 -19.516 13.406 1.00 53.45 H new ATOM 57 N GLY A 6 9.987 -17.391 12.789 1.00 24.13 N ATOM 58 CA GLY A 6 11.276 -18.050 12.880 1.00 71.40 C ATOM 59 C GLY A 6 12.407 -17.079 13.151 1.00 43.52 C ATOM 60 O GLY A 6 12.217 -16.068 13.826 1.00 52.21 O ATOM 0 H GLY A 6 9.933 -16.488 13.261 1.00 24.13 H new ATOM 0 HA2 GLY A 6 11.244 -18.796 13.674 1.00 71.40 H new ATOM 0 HA3 GLY A 6 11.474 -18.583 11.950 1.00 71.40 H new ATOM 64 N GLU A 7 13.589 -17.388 12.625 1.00 62.41 N ATOM 65 CA GLU A 7 14.756 -16.534 12.818 1.00 61.05 C ATOM 66 C GLU A 7 14.464 -15.105 12.369 1.00 62.33 C ATOM 67 O GLU A 7 13.413 -14.826 11.793 1.00 20.21 O ATOM 68 CB GLU A 7 15.954 -17.089 12.044 1.00 41.31 C ATOM 69 CG GLU A 7 17.207 -17.240 12.891 1.00 34.13 C ATOM 70 CD GLU A 7 18.421 -17.632 12.070 1.00 31.31 C ATOM 71 OE1 GLU A 7 19.055 -16.729 11.483 1.00 50.32 O ATOM 72 OE2 GLU A 7 18.737 -18.837 12.015 1.00 35.02 O1- ATOM 0 H GLU A 7 13.763 -18.221 12.063 1.00 62.41 H new ATOM 0 HA GLU A 7 14.994 -16.521 13.882 1.00 61.05 H new ATOM 0 HB2 GLU A 7 15.688 -18.060 11.627 1.00 41.31 H new ATOM 0 HB3 GLU A 7 16.171 -16.429 11.204 1.00 41.31 H new ATOM 0 HG2 GLU A 7 17.409 -16.301 13.406 1.00 34.13 H new ATOM 0 HG3 GLU A 7 17.033 -17.994 13.659 1.00 34.13 H new ATOM 79 N SER A 8 15.404 -14.203 12.638 1.00 11.13 N ATOM 80 CA SER A 8 15.246 -12.802 12.266 1.00 73.41 C ATOM 81 C SER A 8 16.529 -12.258 11.644 1.00 2.22 C ATOM 82 O SER A 8 17.478 -13.003 11.398 1.00 44.50 O ATOM 83 CB SER A 8 14.867 -11.967 13.491 1.00 62.10 C ATOM 84 OG SER A 8 14.351 -10.705 13.108 1.00 14.33 O ATOM 0 H SER A 8 16.282 -14.418 13.112 1.00 11.13 H new ATOM 0 HA SER A 8 14.447 -12.735 11.528 1.00 73.41 H new ATOM 0 HB2 SER A 8 14.125 -12.502 14.084 1.00 62.10 H new ATOM 0 HB3 SER A 8 15.742 -11.828 14.125 1.00 62.10 H new ATOM 0 HG SER A 8 14.986 -10.002 13.360 1.00 14.33 H new ATOM 90 N LYS A 9 16.549 -10.954 11.390 1.00 44.32 N ATOM 91 CA LYS A 9 17.714 -10.308 10.798 1.00 23.33 C ATOM 92 C LYS A 9 18.021 -10.894 9.423 1.00 33.34 C ATOM 93 O LYS A 9 19.157 -11.277 9.141 1.00 14.24 O ATOM 94 CB LYS A 9 18.930 -10.462 11.713 1.00 44.14 C ATOM 95 CG LYS A 9 20.070 -9.517 11.375 1.00 44.04 C ATOM 96 CD LYS A 9 21.053 -9.394 12.526 1.00 2.52 C ATOM 97 CE LYS A 9 20.466 -8.593 13.678 1.00 53.35 C ATOM 98 NZ LYS A 9 21.432 -8.447 14.802 1.00 32.34 N1+ ATOM 0 H LYS A 9 15.771 -10.324 11.585 1.00 44.32 H new ATOM 0 HA LYS A 9 17.489 -9.248 10.680 1.00 23.33 H new ATOM 0 HB2 LYS A 9 18.622 -10.291 12.744 1.00 44.14 H new ATOM 0 HB3 LYS A 9 19.291 -11.489 11.654 1.00 44.14 H new ATOM 0 HG2 LYS A 9 20.591 -9.877 10.488 1.00 44.04 H new ATOM 0 HG3 LYS A 9 19.668 -8.533 11.132 1.00 44.04 H new ATOM 0 HD2 LYS A 9 21.330 -10.388 12.877 1.00 2.52 H new ATOM 0 HD3 LYS A 9 21.967 -8.913 12.176 1.00 2.52 H new ATOM 0 HE2 LYS A 9 20.172 -7.606 13.321 1.00 53.35 H new ATOM 0 HE3 LYS A 9 19.562 -9.084 14.038 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 20.994 -7.895 15.567 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 21.693 -9.388 15.160 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 22.285 -7.956 14.465 1.00 32.34 H new ATOM 112 N CYS A 10 17.003 -10.961 8.572 1.00 72.52 N ATOM 113 CA CYS A 10 17.165 -11.500 7.227 1.00 50.34 C ATOM 114 C CYS A 10 17.285 -10.376 6.202 1.00 44.02 C ATOM 115 O CYS A 10 16.299 -9.754 5.808 1.00 44.02 O ATOM 116 CB CYS A 10 15.985 -12.406 6.873 1.00 33.40 C ATOM 117 SG CYS A 10 16.371 -13.675 5.645 1.00 22.45 S ATOM 0 H CYS A 10 16.057 -10.649 8.790 1.00 72.52 H new ATOM 0 HA CYS A 10 18.083 -12.087 7.205 1.00 50.34 H new ATOM 0 HB2 CYS A 10 15.628 -12.891 7.781 1.00 33.40 H new ATOM 0 HB3 CYS A 10 15.167 -11.790 6.499 1.00 33.40 H new ATOM 0 HG CYS A 10 16.296 -13.162 4.453 1.00 22.45 H new ATOM 123 N PRO A 11 18.522 -10.110 5.758 1.00 41.21 N ATOM 124 CA PRO A 11 18.802 -9.060 4.774 1.00 32.44 C ATOM 125 C PRO A 11 18.275 -9.411 3.387 1.00 33.11 C ATOM 126 O PRO A 11 18.119 -8.538 2.531 1.00 40.40 O ATOM 127 CB PRO A 11 20.331 -8.983 4.762 1.00 52.53 C ATOM 128 CG PRO A 11 20.781 -10.330 5.207 1.00 50.33 C ATOM 129 CD PRO A 11 19.745 -10.813 6.184 1.00 12.12 C ATOM 0 HA PRO A 11 18.317 -8.119 5.033 1.00 32.44 H new ATOM 0 HB2 PRO A 11 20.708 -8.749 3.766 1.00 52.53 H new ATOM 0 HB3 PRO A 11 20.693 -8.203 5.432 1.00 52.53 H new ATOM 0 HG2 PRO A 11 20.867 -11.012 4.361 1.00 50.33 H new ATOM 0 HG3 PRO A 11 21.764 -10.278 5.675 1.00 50.33 H new ATOM 0 HD2 PRO A 11 19.623 -11.895 6.139 1.00 12.12 H new ATOM 0 HD3 PRO A 11 20.014 -10.565 7.211 1.00 12.12 H new ATOM 137 N LEU A 12 18.003 -10.693 3.170 1.00 24.44 N ATOM 138 CA LEU A 12 17.492 -11.160 1.885 1.00 13.33 C ATOM 139 C LEU A 12 16.301 -12.093 2.079 1.00 62.23 C ATOM 140 O LEU A 12 16.447 -13.207 2.583 1.00 61.54 O ATOM 141 CB LEU A 12 18.595 -11.878 1.107 1.00 1.41 C ATOM 142 CG LEU A 12 18.448 -11.883 -0.415 1.00 23.13 C ATOM 143 CD1 LEU A 12 17.199 -12.644 -0.828 1.00 43.24 C ATOM 144 CD2 LEU A 12 18.411 -10.460 -0.952 1.00 3.34 C ATOM 0 H LEU A 12 18.128 -11.428 3.866 1.00 24.44 H new ATOM 0 HA LEU A 12 17.160 -10.291 1.316 1.00 13.33 H new ATOM 0 HB2 LEU A 12 19.549 -11.415 1.358 1.00 1.41 H new ATOM 0 HB3 LEU A 12 18.641 -12.911 1.451 1.00 1.41 H new ATOM 0 HG LEU A 12 19.314 -12.388 -0.843 1.00 23.13 H new ATOM 0 HD11 LEU A 12 17.111 -12.637 -1.914 1.00 43.24 H new ATOM 0 HD12 LEU A 12 17.267 -13.673 -0.476 1.00 43.24 H new ATOM 0 HD13 LEU A 12 16.322 -12.168 -0.390 1.00 43.24 H new ATOM 0 HD21 LEU A 12 18.306 -10.483 -2.037 1.00 3.34 H new ATOM 0 HD22 LEU A 12 17.565 -9.929 -0.517 1.00 3.34 H new ATOM 0 HD23 LEU A 12 19.336 -9.947 -0.688 1.00 3.34 H new ATOM 156 N MET A 13 15.122 -11.630 1.675 1.00 42.14 N ATOM 157 CA MET A 13 13.906 -12.426 1.801 1.00 33.41 C ATOM 158 C MET A 13 13.380 -12.837 0.430 1.00 40.04 C ATOM 159 O MET A 13 13.235 -12.005 -0.466 1.00 53.03 O ATOM 160 CB MET A 13 12.833 -11.638 2.556 1.00 72.22 C ATOM 161 CG MET A 13 12.015 -12.491 3.513 1.00 31.44 C ATOM 162 SD MET A 13 10.943 -13.662 2.659 1.00 1.33 S ATOM 163 CE MET A 13 9.427 -12.715 2.545 1.00 15.23 C ATOM 0 H MET A 13 14.983 -10.709 1.258 1.00 42.14 H new ATOM 0 HA MET A 13 14.148 -13.328 2.362 1.00 33.41 H new ATOM 0 HB2 MET A 13 13.311 -10.834 3.116 1.00 72.22 H new ATOM 0 HB3 MET A 13 12.163 -11.170 1.835 1.00 72.22 H new ATOM 0 HG2 MET A 13 12.689 -13.037 4.173 1.00 31.44 H new ATOM 0 HG3 MET A 13 11.408 -11.842 4.143 1.00 31.44 H new ATOM 0 HE1 MET A 13 8.694 -13.115 3.246 1.00 15.23 H new ATOM 0 HE2 MET A 13 9.630 -11.672 2.789 1.00 15.23 H new ATOM 0 HE3 MET A 13 9.033 -12.780 1.531 1.00 15.23 H new ATOM 173 N VAL A 14 13.097 -14.126 0.272 1.00 0.34 N ATOM 174 CA VAL A 14 12.588 -14.647 -0.991 1.00 54.11 C ATOM 175 C VAL A 14 11.167 -15.179 -0.832 1.00 75.31 C ATOM 176 O VAL A 14 10.939 -16.181 -0.155 1.00 44.51 O ATOM 177 CB VAL A 14 13.487 -15.772 -1.538 1.00 71.42 C ATOM 178 CG1 VAL A 14 13.036 -16.188 -2.930 1.00 65.25 C ATOM 179 CG2 VAL A 14 14.942 -15.332 -1.549 1.00 54.20 C ATOM 0 H VAL A 14 13.212 -14.828 1.003 1.00 0.34 H new ATOM 0 HA VAL A 14 12.587 -13.818 -1.698 1.00 54.11 H new ATOM 0 HB VAL A 14 13.398 -16.637 -0.881 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.683 -16.983 -3.300 1.00 65.25 H new ATOM 0 HG12 VAL A 14 12.008 -16.547 -2.887 1.00 65.25 H new ATOM 0 HG13 VAL A 14 13.094 -15.332 -3.602 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.563 -16.139 -1.938 1.00 54.20 H new ATOM 0 HG22 VAL A 14 15.051 -14.452 -2.183 1.00 54.20 H new ATOM 0 HG23 VAL A 14 15.256 -15.090 -0.534 1.00 54.20 H new ATOM 189 N LYS A 15 10.215 -14.501 -1.463 1.00 45.14 N ATOM 190 CA LYS A 15 8.815 -14.905 -1.395 1.00 34.42 C ATOM 191 C LYS A 15 8.397 -15.636 -2.666 1.00 3.44 C ATOM 192 O LYS A 15 8.363 -15.051 -3.749 1.00 33.44 O ATOM 193 CB LYS A 15 7.920 -13.682 -1.180 1.00 23.14 C ATOM 194 CG LYS A 15 6.540 -14.024 -0.647 1.00 20.51 C ATOM 195 CD LYS A 15 6.489 -13.933 0.870 1.00 21.44 C ATOM 196 CE LYS A 15 6.212 -12.511 1.332 1.00 61.00 C ATOM 197 NZ LYS A 15 4.767 -12.166 1.228 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.387 -13.669 -2.028 1.00 45.14 H new ATOM 0 HA LYS A 15 8.700 -15.585 -0.551 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.410 -13.001 -0.484 1.00 23.14 H new ATOM 0 HB3 LYS A 15 7.813 -13.150 -2.125 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.804 -13.345 -1.078 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.267 -15.031 -0.961 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.713 -14.598 1.250 1.00 21.44 H new ATOM 0 HD3 LYS A 15 7.436 -14.275 1.288 1.00 21.44 H new ATOM 0 HE2 LYS A 15 6.540 -12.394 2.365 1.00 61.00 H new ATOM 0 HE3 LYS A 15 6.796 -11.814 0.731 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 4.619 -11.189 1.552 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 4.460 -12.253 0.238 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 4.212 -12.815 1.821 1.00 31.20 H new ATOM 211 N VAL A 16 8.079 -16.920 -2.528 1.00 43.13 N ATOM 212 CA VAL A 16 7.660 -17.731 -3.665 1.00 14.13 C ATOM 213 C VAL A 16 6.144 -17.891 -3.697 1.00 22.53 C ATOM 214 O VAL A 16 5.576 -18.683 -2.944 1.00 43.30 O ATOM 215 CB VAL A 16 8.313 -19.125 -3.629 1.00 62.10 C ATOM 216 CG1 VAL A 16 7.925 -19.929 -4.862 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.825 -19.004 -3.516 1.00 0.34 C ATOM 0 H VAL A 16 8.104 -17.421 -1.640 1.00 43.13 H new ATOM 0 HA VAL A 16 7.985 -17.209 -4.565 1.00 14.13 H new ATOM 0 HB VAL A 16 7.948 -19.654 -2.749 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.396 -20.911 -4.819 1.00 24.42 H new ATOM 0 HG12 VAL A 16 6.842 -20.047 -4.893 1.00 24.42 H new ATOM 0 HG13 VAL A 16 8.259 -19.405 -5.758 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.269 -19.999 -3.492 1.00 0.34 H new ATOM 0 HG22 VAL A 16 10.211 -18.455 -4.375 1.00 0.34 H new ATOM 0 HG23 VAL A 16 10.080 -18.471 -2.600 1.00 0.34 H new ATOM 227 N LEU A 17 5.494 -17.136 -4.575 1.00 52.23 N ATOM 228 CA LEU A 17 4.042 -17.194 -4.707 1.00 52.32 C ATOM 229 C LEU A 17 3.642 -17.728 -6.079 1.00 63.31 C ATOM 230 O LEU A 17 4.415 -17.655 -7.035 1.00 71.44 O ATOM 231 CB LEU A 17 3.435 -15.807 -4.490 1.00 44.04 C ATOM 232 CG LEU A 17 2.756 -15.576 -3.140 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.293 -14.315 -2.480 1.00 1.50 C ATOM 234 CD2 LEU A 17 1.246 -15.490 -3.309 1.00 53.44 C ATOM 0 H LEU A 17 5.949 -16.476 -5.206 1.00 52.23 H new ATOM 0 HA LEU A 17 3.659 -17.874 -3.946 1.00 52.32 H new ATOM 0 HB2 LEU A 17 4.224 -15.064 -4.609 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.704 -15.625 -5.278 1.00 44.04 H new ATOM 0 HG LEU A 17 2.981 -16.424 -2.493 1.00 44.34 H new ATOM 0 HD11 LEU A 17 2.798 -14.167 -1.520 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.367 -14.416 -2.322 1.00 1.50 H new ATOM 0 HD13 LEU A 17 3.100 -13.457 -3.124 1.00 1.50 H new ATOM 0 HD21 LEU A 17 0.780 -15.325 -2.338 1.00 53.44 H new ATOM 0 HD22 LEU A 17 1.001 -14.662 -3.974 1.00 53.44 H new ATOM 0 HD23 LEU A 17 0.874 -16.421 -3.737 1.00 53.44 H new ATOM 246 N ASP A 18 2.429 -18.261 -6.169 1.00 52.03 N ATOM 247 CA ASP A 18 1.924 -18.805 -7.425 1.00 1.53 C ATOM 248 C ASP A 18 0.925 -17.847 -8.068 1.00 31.30 C ATOM 249 O ASP A 18 -0.006 -17.374 -7.416 1.00 2.31 O ATOM 250 CB ASP A 18 1.265 -20.164 -7.189 1.00 21.40 C ATOM 251 CG ASP A 18 1.438 -21.104 -8.365 1.00 31.11 C ATOM 252 OD1 ASP A 18 0.649 -21.001 -9.328 1.00 53.44 O ATOM 253 OD2 ASP A 18 2.363 -21.942 -8.324 1.00 31.41 O1- ATOM 0 H ASP A 18 1.777 -18.328 -5.388 1.00 52.03 H new ATOM 0 HA ASP A 18 2.768 -18.932 -8.103 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.692 -20.621 -6.296 1.00 21.40 H new ATOM 0 HB3 ASP A 18 0.202 -20.020 -6.996 1.00 21.40 H new ATOM 258 N ALA A 19 1.126 -17.564 -9.351 1.00 54.11 N ATOM 259 CA ALA A 19 0.244 -16.664 -10.082 1.00 4.04 C ATOM 260 C ALA A 19 -1.033 -17.378 -10.513 1.00 72.45 C ATOM 261 O ALA A 19 -2.076 -16.748 -10.698 1.00 54.10 O ATOM 262 CB ALA A 19 0.962 -16.088 -11.293 1.00 64.31 C ATOM 0 H ALA A 19 1.893 -17.946 -9.905 1.00 54.11 H new ATOM 0 HA ALA A 19 -0.033 -15.847 -9.416 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.290 -15.418 -11.829 1.00 64.31 H new ATOM 0 HB2 ALA A 19 1.842 -15.534 -10.965 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.269 -16.899 -11.954 1.00 64.31 H new ATOM 268 N VAL A 20 -0.944 -18.694 -10.673 1.00 1.32 N ATOM 269 CA VAL A 20 -2.094 -19.493 -11.082 1.00 4.11 C ATOM 270 C VAL A 20 -2.986 -19.823 -9.890 1.00 34.21 C ATOM 271 O VAL A 20 -4.211 -19.735 -9.975 1.00 24.34 O ATOM 272 CB VAL A 20 -1.653 -20.805 -11.759 1.00 64.24 C ATOM 273 CG1 VAL A 20 -2.853 -21.704 -12.013 1.00 42.40 C ATOM 274 CG2 VAL A 20 -0.911 -20.512 -13.054 1.00 1.33 C ATOM 0 H VAL A 20 -0.089 -19.230 -10.526 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.657 -18.895 -11.798 1.00 4.11 H new ATOM 0 HB VAL A 20 -0.973 -21.330 -11.088 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.522 -22.626 -12.492 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -3.337 -21.941 -11.066 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -3.561 -21.191 -12.664 1.00 42.40 H new ATOM 0 HG21 VAL A 20 -0.607 -21.450 -13.519 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -1.566 -19.966 -13.733 1.00 1.33 H new ATOM 0 HG23 VAL A 20 -0.028 -19.910 -12.839 1.00 1.33 H new ATOM 284 N ARG A 21 -2.363 -20.205 -8.780 1.00 70.43 N ATOM 285 CA ARG A 21 -3.100 -20.550 -7.570 1.00 40.24 C ATOM 286 C ARG A 21 -3.365 -19.310 -6.723 1.00 25.13 C ATOM 287 O ARG A 21 -4.282 -19.290 -5.903 1.00 25.45 O ATOM 288 CB ARG A 21 -2.324 -21.584 -6.751 1.00 54.04 C ATOM 289 CG ARG A 21 -1.696 -22.682 -7.595 1.00 23.13 C ATOM 290 CD ARG A 21 -1.105 -23.782 -6.726 1.00 70.24 C ATOM 291 NE ARG A 21 -2.097 -24.357 -5.822 1.00 32.25 N ATOM 292 CZ ARG A 21 -1.837 -25.357 -4.986 1.00 13.33 C ATOM 293 NH1 ARG A 21 -0.623 -25.887 -4.940 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -2.792 -25.826 -4.194 1.00 42.11 N ATOM 0 H ARG A 21 -1.350 -20.283 -8.693 1.00 70.43 H new ATOM 0 HA ARG A 21 -4.058 -20.977 -7.868 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.540 -21.076 -6.189 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -2.996 -22.037 -6.022 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -2.448 -23.106 -8.260 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -0.916 -22.256 -8.226 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -0.697 -24.567 -7.363 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -0.276 -23.379 -6.145 1.00 70.24 H new ATOM 0 HE ARG A 21 -3.041 -23.970 -5.833 1.00 32.25 H new ATOM 0 HH11 ARG A 21 0.114 -25.527 -5.547 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -0.426 -26.654 -4.298 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -3.727 -25.419 -4.226 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -2.592 -26.593 -3.553 1.00 42.11 H new ATOM 308 N GLY A 22 -2.556 -18.275 -6.928 1.00 14.01 N ATOM 309 CA GLY A 22 -2.718 -17.044 -6.175 1.00 71.33 C ATOM 310 C GLY A 22 -2.380 -17.214 -4.707 1.00 55.30 C ATOM 311 O GLY A 22 -2.886 -16.480 -3.858 1.00 35.44 O ATOM 0 H GLY A 22 -1.791 -18.267 -7.602 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -2.080 -16.272 -6.605 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.747 -16.696 -6.270 1.00 71.33 H new ATOM 315 N SER A 23 -1.523 -18.185 -4.408 1.00 52.31 N ATOM 316 CA SER A 23 -1.121 -18.452 -3.031 1.00 31.20 C ATOM 317 C SER A 23 0.354 -18.834 -2.961 1.00 73.43 C ATOM 318 O SER A 23 0.967 -19.232 -3.952 1.00 43.22 O ATOM 319 CB SER A 23 -1.979 -19.570 -2.435 1.00 51.44 C ATOM 320 OG SER A 23 -3.127 -19.045 -1.791 1.00 24.23 O ATOM 0 H SER A 23 -1.094 -18.800 -5.100 1.00 52.31 H new ATOM 0 HA SER A 23 -1.270 -17.541 -2.451 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.284 -20.258 -3.223 1.00 51.44 H new ATOM 0 HB3 SER A 23 -1.389 -20.144 -1.721 1.00 51.44 H new ATOM 0 HG SER A 23 -3.659 -19.780 -1.420 1.00 24.23 H new ATOM 326 N PRO A 24 0.938 -18.711 -1.759 1.00 13.40 N ATOM 327 CA PRO A 24 2.349 -19.038 -1.529 1.00 34.35 C ATOM 328 C PRO A 24 2.618 -20.536 -1.615 1.00 53.53 C ATOM 329 O PRO A 24 1.885 -21.342 -1.042 1.00 40.42 O ATOM 330 CB PRO A 24 2.603 -18.530 -0.107 1.00 12.41 C ATOM 331 CG PRO A 24 1.264 -18.553 0.548 1.00 62.31 C ATOM 332 CD PRO A 24 0.268 -18.243 -0.535 1.00 53.31 C ATOM 0 HA PRO A 24 2.999 -18.589 -2.280 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.313 -19.167 0.420 1.00 12.41 H new ATOM 0 HB3 PRO A 24 3.023 -17.524 -0.115 1.00 12.41 H new ATOM 0 HG2 PRO A 24 1.065 -19.527 0.994 1.00 62.31 H new ATOM 0 HG3 PRO A 24 1.209 -17.817 1.351 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.677 -18.760 -0.372 1.00 53.31 H new ATOM 0 HD3 PRO A 24 0.044 -17.177 -0.582 1.00 53.31 H new ATOM 340 N ALA A 25 3.673 -20.903 -2.335 1.00 24.51 N ATOM 341 CA ALA A 25 4.039 -22.305 -2.494 1.00 10.44 C ATOM 342 C ALA A 25 4.731 -22.837 -1.243 1.00 33.45 C ATOM 343 O ALA A 25 5.447 -22.105 -0.559 1.00 43.13 O ATOM 344 CB ALA A 25 4.936 -22.481 -3.709 1.00 61.41 C ATOM 0 H ALA A 25 4.289 -20.249 -2.817 1.00 24.51 H new ATOM 0 HA ALA A 25 3.125 -22.879 -2.644 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.202 -23.533 -3.816 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.408 -22.148 -4.602 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.842 -21.889 -3.581 1.00 61.41 H new ATOM 350 N ILE A 26 4.510 -24.114 -0.948 1.00 22.35 N ATOM 351 CA ILE A 26 5.112 -24.743 0.221 1.00 34.21 C ATOM 352 C ILE A 26 6.201 -25.728 -0.185 1.00 14.43 C ATOM 353 O ILE A 26 6.084 -26.417 -1.198 1.00 25.11 O ATOM 354 CB ILE A 26 4.058 -25.480 1.069 1.00 4.42 C ATOM 355 CG1 ILE A 26 3.133 -24.476 1.760 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.737 -26.375 2.094 1.00 54.14 C ATOM 357 CD1 ILE A 26 2.076 -25.124 2.625 1.00 11.52 C ATOM 0 H ILE A 26 3.919 -24.733 -1.502 1.00 22.35 H new ATOM 0 HA ILE A 26 5.552 -23.944 0.818 1.00 34.21 H new ATOM 0 HB ILE A 26 3.455 -26.105 0.410 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.733 -23.805 2.375 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.645 -23.863 1.002 1.00 3.20 H new ATOM 0 HG21 ILE A 26 3.980 -26.889 2.686 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.358 -27.110 1.581 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.361 -25.768 2.751 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.457 -24.352 3.083 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.451 -25.773 2.011 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.556 -25.715 3.405 1.00 11.52 H new ATOM 369 N ASN A 27 7.262 -25.792 0.613 1.00 12.42 N ATOM 370 CA ASN A 27 8.373 -26.695 0.337 1.00 73.32 C ATOM 371 C ASN A 27 8.989 -26.399 -1.027 1.00 13.34 C ATOM 372 O ASN A 27 9.176 -27.301 -1.844 1.00 65.22 O ATOM 373 CB ASN A 27 7.902 -28.149 0.392 1.00 73.52 C ATOM 374 CG ASN A 27 7.772 -28.662 1.814 1.00 73.20 C ATOM 375 OD1 ASN A 27 8.052 -29.827 2.093 1.00 43.32 O ATOM 376 ND2 ASN A 27 7.342 -27.790 2.719 1.00 31.42 N ATOM 0 H ASN A 27 7.376 -25.229 1.456 1.00 12.42 H new ATOM 0 HA ASN A 27 9.134 -26.538 1.101 1.00 73.32 H new ATOM 0 HB2 ASN A 27 6.939 -28.235 -0.112 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.605 -28.777 -0.155 1.00 73.52 H new ATOM 0 HD21 ASN A 27 7.232 -28.077 3.692 1.00 31.42 H new ATOM 0 HD22 ASN A 27 7.122 -26.834 2.441 1.00 31.42 H new ATOM 383 N VAL A 28 9.303 -25.130 -1.266 1.00 10.34 N ATOM 384 CA VAL A 28 9.899 -24.715 -2.530 1.00 3.15 C ATOM 385 C VAL A 28 11.421 -24.699 -2.442 1.00 50.12 C ATOM 386 O VAL A 28 12.012 -23.749 -1.929 1.00 52.30 O ATOM 387 CB VAL A 28 9.405 -23.318 -2.952 1.00 72.20 C ATOM 388 CG1 VAL A 28 10.088 -22.875 -4.237 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.893 -23.315 -3.113 1.00 33.20 C ATOM 0 H VAL A 28 9.154 -24.371 -0.601 1.00 10.34 H new ATOM 0 HA VAL A 28 9.589 -25.443 -3.279 1.00 3.15 H new ATOM 0 HB VAL A 28 9.665 -22.607 -2.168 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.726 -21.886 -4.519 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.166 -22.836 -4.081 1.00 40.10 H new ATOM 0 HG13 VAL A 28 9.862 -23.585 -5.033 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.561 -22.321 -3.411 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.607 -24.038 -3.877 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.426 -23.585 -2.166 1.00 33.20 H new ATOM 399 N ALA A 29 12.049 -25.756 -2.944 1.00 21.11 N ATOM 400 CA ALA A 29 13.503 -25.862 -2.925 1.00 13.43 C ATOM 401 C ALA A 29 14.152 -24.634 -3.554 1.00 73.30 C ATOM 402 O ALA A 29 14.089 -24.442 -4.768 1.00 24.22 O ATOM 403 CB ALA A 29 13.949 -27.126 -3.645 1.00 1.22 C ATOM 0 H ALA A 29 11.574 -26.552 -3.369 1.00 21.11 H new ATOM 0 HA ALA A 29 13.825 -25.917 -1.885 1.00 13.43 H new ATOM 0 HB1 ALA A 29 15.037 -27.193 -3.623 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.522 -27.997 -3.148 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.608 -27.095 -4.680 1.00 1.22 H new ATOM 409 N VAL A 30 14.774 -23.807 -2.721 1.00 52.51 N ATOM 410 CA VAL A 30 15.434 -22.597 -3.197 1.00 62.05 C ATOM 411 C VAL A 30 16.906 -22.582 -2.799 1.00 64.44 C ATOM 412 O VAL A 30 17.274 -23.056 -1.723 1.00 3.33 O ATOM 413 CB VAL A 30 14.753 -21.331 -2.645 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.411 -20.082 -3.209 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.265 -21.347 -2.960 1.00 50.55 C ATOM 0 H VAL A 30 14.835 -23.952 -1.713 1.00 52.51 H new ATOM 0 HA VAL A 30 15.353 -22.600 -4.284 1.00 62.05 H new ATOM 0 HB VAL A 30 14.872 -21.318 -1.562 1.00 11.02 H new ATOM 0 HG11 VAL A 30 14.916 -19.197 -2.808 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.464 -20.067 -2.929 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.325 -20.084 -4.296 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.799 -20.445 -2.563 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.122 -21.384 -4.040 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.806 -22.224 -2.503 1.00 50.55 H new ATOM 425 N HIS A 31 17.745 -22.037 -3.674 1.00 4.33 N ATOM 426 CA HIS A 31 19.178 -21.960 -3.414 1.00 20.44 C ATOM 427 C HIS A 31 19.698 -20.546 -3.657 1.00 70.41 C ATOM 428 O HIS A 31 19.152 -19.804 -4.474 1.00 62.13 O ATOM 429 CB HIS A 31 19.932 -22.953 -4.297 1.00 42.03 C ATOM 430 CG HIS A 31 19.251 -24.281 -4.422 1.00 51.24 C ATOM 431 ND1 HIS A 31 19.141 -24.962 -5.616 1.00 72.51 N ATOM 432 CD2 HIS A 31 18.645 -25.056 -3.491 1.00 21.01 C ATOM 433 CE1 HIS A 31 18.495 -26.097 -5.415 1.00 63.14 C ATOM 434 NE2 HIS A 31 18.184 -26.178 -4.135 1.00 23.04 N ATOM 0 H HIS A 31 17.457 -21.642 -4.569 1.00 4.33 H new ATOM 0 HA HIS A 31 19.347 -22.216 -2.368 1.00 20.44 H new ATOM 0 HB2 HIS A 31 20.055 -22.522 -5.291 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.931 -23.103 -3.889 1.00 42.03 H new ATOM 0 HD2 HIS A 31 18.543 -24.833 -2.439 1.00 21.01 H new ATOM 0 HE1 HIS A 31 18.261 -26.833 -6.170 1.00 63.14 H new ATOM 0 HE2 HIS A 31 17.682 -26.949 -3.695 1.00 23.04 H new ATOM 442 N VAL A 32 20.759 -20.180 -2.944 1.00 33.14 N ATOM 443 CA VAL A 32 21.354 -18.856 -3.084 1.00 13.25 C ATOM 444 C VAL A 32 22.864 -18.949 -3.268 1.00 62.02 C ATOM 445 O VAL A 32 23.569 -19.513 -2.430 1.00 63.22 O ATOM 446 CB VAL A 32 21.050 -17.973 -1.860 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.462 -16.533 -2.124 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.576 -18.055 -1.495 1.00 30.45 C ATOM 0 H VAL A 32 21.224 -20.782 -2.264 1.00 33.14 H new ATOM 0 HA VAL A 32 20.911 -18.401 -3.970 1.00 13.25 H new ATOM 0 HB VAL A 32 21.631 -18.343 -1.015 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.239 -15.924 -1.248 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.531 -16.493 -2.332 1.00 62.34 H new ATOM 0 HG13 VAL A 32 20.911 -16.148 -2.982 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.380 -17.424 -0.628 1.00 30.45 H new ATOM 0 HG22 VAL A 32 18.973 -17.712 -2.336 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.316 -19.087 -1.259 1.00 30.45 H new ATOM 458 N PHE A 33 23.356 -18.392 -4.370 1.00 14.51 N ATOM 459 CA PHE A 33 24.784 -18.412 -4.665 1.00 10.33 C ATOM 460 C PHE A 33 25.334 -16.994 -4.788 1.00 51.44 C ATOM 461 O PHE A 33 24.581 -16.040 -4.988 1.00 61.13 O ATOM 462 CB PHE A 33 25.049 -19.188 -5.957 1.00 54.22 C ATOM 463 CG PHE A 33 24.670 -20.639 -5.873 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.341 -21.026 -5.930 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.643 -21.616 -5.738 1.00 63.43 C ATOM 466 CE1 PHE A 33 22.989 -22.361 -5.854 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.298 -22.952 -5.662 1.00 51.24 C ATOM 468 CZ PHE A 33 23.969 -23.324 -5.718 1.00 15.51 C ATOM 0 H PHE A 33 22.787 -17.921 -5.073 1.00 14.51 H new ATOM 0 HA PHE A 33 25.293 -18.910 -3.840 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.494 -18.722 -6.771 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.107 -19.111 -6.207 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.571 -20.276 -6.035 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.683 -21.330 -5.692 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.949 -22.650 -5.901 1.00 31.23 H new ATOM 0 HE2 PHE A 33 26.066 -23.704 -5.559 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.697 -24.367 -5.655 1.00 15.51 H new ATOM 478 N ARG A 34 26.651 -16.865 -4.667 1.00 32.15 N ATOM 479 CA ARG A 34 27.303 -15.564 -4.762 1.00 13.44 C ATOM 480 C ARG A 34 28.326 -15.550 -5.893 1.00 21.02 C ATOM 481 O ARG A 34 28.980 -16.556 -6.166 1.00 3.34 O ATOM 482 CB ARG A 34 27.985 -15.212 -3.438 1.00 72.25 C ATOM 483 CG ARG A 34 28.825 -13.947 -3.503 1.00 3.34 C ATOM 484 CD ARG A 34 29.271 -13.504 -2.118 1.00 53.42 C ATOM 485 NE ARG A 34 30.150 -12.338 -2.174 1.00 31.04 N ATOM 486 CZ ARG A 34 31.449 -12.410 -2.444 1.00 34.30 C ATOM 487 NH1 ARG A 34 32.016 -13.584 -2.683 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 32.182 -11.305 -2.476 1.00 2.43 N ATOM 0 H ARG A 34 27.287 -17.645 -4.503 1.00 32.15 H new ATOM 0 HA ARG A 34 26.538 -14.818 -4.978 1.00 13.44 H new ATOM 0 HB2 ARG A 34 27.224 -15.093 -2.667 1.00 72.25 H new ATOM 0 HB3 ARG A 34 28.620 -16.044 -3.133 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.700 -14.121 -4.130 1.00 3.34 H new ATOM 0 HG3 ARG A 34 28.249 -13.150 -3.974 1.00 3.34 H new ATOM 0 HD2 ARG A 34 28.395 -13.269 -1.513 1.00 53.42 H new ATOM 0 HD3 ARG A 34 29.789 -14.326 -1.624 1.00 53.42 H new ATOM 0 HE ARG A 34 29.744 -11.419 -1.996 1.00 31.04 H new ATOM 0 HH11 ARG A 34 31.455 -14.435 -2.660 1.00 44.53 H new ATOM 0 HH12 ARG A 34 33.013 -13.636 -2.890 1.00 44.53 H new ATOM 0 HH21 ARG A 34 31.748 -10.400 -2.293 1.00 2.43 H new ATOM 0 HH22 ARG A 34 33.179 -11.360 -2.683 1.00 2.43 H new ATOM 502 N LYS A 35 28.461 -14.403 -6.549 1.00 54.20 N ATOM 503 CA LYS A 35 29.404 -14.256 -7.651 1.00 73.31 C ATOM 504 C LYS A 35 30.842 -14.333 -7.148 1.00 71.34 C ATOM 505 O LYS A 35 31.275 -13.507 -6.346 1.00 63.22 O ATOM 506 CB LYS A 35 29.176 -12.925 -8.371 1.00 24.12 C ATOM 507 CG LYS A 35 30.300 -12.546 -9.320 1.00 14.42 C ATOM 508 CD LYS A 35 30.477 -13.583 -10.417 1.00 34.13 C ATOM 509 CE LYS A 35 29.320 -13.555 -11.402 1.00 42.22 C ATOM 510 NZ LYS A 35 29.311 -12.306 -12.213 1.00 53.31 N1+ ATOM 0 H LYS A 35 27.928 -13.560 -6.336 1.00 54.20 H new ATOM 0 HA LYS A 35 29.237 -15.074 -8.352 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.242 -12.980 -8.931 1.00 24.12 H new ATOM 0 HB3 LYS A 35 29.057 -12.136 -7.629 1.00 24.12 H new ATOM 0 HG2 LYS A 35 30.088 -11.575 -9.767 1.00 14.42 H new ATOM 0 HG3 LYS A 35 31.230 -12.444 -8.761 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.412 -13.398 -10.947 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.554 -14.575 -9.972 1.00 34.13 H new ATOM 0 HE2 LYS A 35 29.387 -14.418 -12.065 1.00 42.22 H new ATOM 0 HE3 LYS A 35 28.379 -13.642 -10.859 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 28.680 -12.428 -13.031 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 28.972 -11.515 -11.629 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 30.275 -12.102 -12.547 1.00 53.31 H new ATOM 524 N ALA A 36 31.579 -15.331 -7.627 1.00 33.44 N ATOM 525 CA ALA A 36 32.969 -15.514 -7.229 1.00 70.02 C ATOM 526 C ALA A 36 33.898 -14.635 -8.060 1.00 20.11 C ATOM 527 O ALA A 36 33.444 -13.844 -8.887 1.00 35.22 O ATOM 528 CB ALA A 36 33.367 -16.976 -7.359 1.00 3.22 C ATOM 0 H ALA A 36 31.236 -16.025 -8.291 1.00 33.44 H new ATOM 0 HA ALA A 36 33.065 -15.214 -6.185 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.408 -17.098 -7.058 1.00 3.22 H new ATOM 0 HB2 ALA A 36 32.730 -17.585 -6.717 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.249 -17.295 -8.395 1.00 3.22 H new ATOM 534 N ALA A 37 35.200 -14.778 -7.834 1.00 24.23 N ATOM 535 CA ALA A 37 36.192 -13.998 -8.562 1.00 41.33 C ATOM 536 C ALA A 37 36.474 -14.609 -9.931 1.00 62.24 C ATOM 537 O ALA A 37 37.155 -14.008 -10.761 1.00 15.13 O ATOM 538 CB ALA A 37 37.478 -13.892 -7.755 1.00 20.34 C ATOM 0 H ALA A 37 35.592 -15.427 -7.152 1.00 24.23 H new ATOM 0 HA ALA A 37 35.789 -12.997 -8.715 1.00 41.33 H new ATOM 0 HB1 ALA A 37 38.210 -13.307 -8.312 1.00 20.34 H new ATOM 0 HB2 ALA A 37 37.271 -13.403 -6.803 1.00 20.34 H new ATOM 0 HB3 ALA A 37 37.876 -14.890 -7.572 1.00 20.34 H new ATOM 544 N ASP A 38 35.945 -15.806 -10.160 1.00 62.14 N ATOM 545 CA ASP A 38 36.140 -16.499 -11.428 1.00 4.12 C ATOM 546 C ASP A 38 34.876 -16.436 -12.281 1.00 0.42 C ATOM 547 O ASP A 38 34.619 -17.325 -13.093 1.00 23.13 O ATOM 548 CB ASP A 38 36.534 -17.956 -11.184 1.00 0.10 C ATOM 549 CG ASP A 38 37.289 -18.555 -12.352 1.00 65.21 C ATOM 550 OD1 ASP A 38 38.343 -17.998 -12.727 1.00 40.31 O1- ATOM 551 OD2 ASP A 38 36.828 -19.582 -12.892 1.00 5.41 O ATOM 0 H ASP A 38 35.378 -16.317 -9.484 1.00 62.14 H new ATOM 0 HA ASP A 38 36.946 -16.000 -11.966 1.00 4.12 H new ATOM 0 HB2 ASP A 38 37.150 -18.017 -10.287 1.00 0.10 H new ATOM 0 HB3 ASP A 38 35.637 -18.545 -10.995 1.00 0.10 H new ATOM 556 N ASP A 39 34.089 -15.383 -12.087 1.00 22.23 N ATOM 557 CA ASP A 39 32.852 -15.206 -12.838 1.00 13.11 C ATOM 558 C ASP A 39 31.916 -16.393 -12.632 1.00 31.25 C ATOM 559 O ASP A 39 31.071 -16.686 -13.479 1.00 44.13 O ATOM 560 CB ASP A 39 33.154 -15.030 -14.326 1.00 2.13 C ATOM 561 CG ASP A 39 33.826 -13.705 -14.629 1.00 55.52 C ATOM 562 OD1 ASP A 39 35.073 -13.652 -14.601 1.00 22.43 O ATOM 563 OD2 ASP A 39 33.104 -12.721 -14.894 1.00 75.13 O1- ATOM 0 H ASP A 39 34.286 -14.640 -11.417 1.00 22.23 H new ATOM 0 HA ASP A 39 32.357 -14.308 -12.468 1.00 13.11 H new ATOM 0 HB2 ASP A 39 33.796 -15.844 -14.662 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.226 -15.101 -14.893 1.00 2.13 H new ATOM 568 N THR A 40 32.073 -17.074 -11.502 1.00 30.11 N ATOM 569 CA THR A 40 31.244 -18.231 -11.185 1.00 25.33 C ATOM 570 C THR A 40 30.293 -17.928 -10.033 1.00 51.15 C ATOM 571 O THR A 40 30.234 -16.798 -9.545 1.00 63.30 O ATOM 572 CB THR A 40 32.104 -19.455 -10.818 1.00 62.55 C ATOM 573 OG1 THR A 40 32.808 -19.210 -9.595 1.00 73.04 O ATOM 574 CG2 THR A 40 33.098 -19.770 -11.926 1.00 33.22 C ATOM 0 H THR A 40 32.767 -16.845 -10.790 1.00 30.11 H new ATOM 0 HA THR A 40 30.665 -18.459 -12.080 1.00 25.33 H new ATOM 0 HB THR A 40 31.442 -20.311 -10.691 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.351 -19.993 -9.368 1.00 73.04 H new ATOM 0 HG21 THR A 40 33.694 -20.638 -11.644 1.00 33.22 H new ATOM 0 HG22 THR A 40 32.559 -19.984 -12.849 1.00 33.22 H new ATOM 0 HG23 THR A 40 33.755 -18.914 -12.080 1.00 33.22 H new ATOM 582 N TRP A 41 29.553 -18.942 -9.600 1.00 51.02 N ATOM 583 CA TRP A 41 28.605 -18.783 -8.503 1.00 63.44 C ATOM 584 C TRP A 41 28.885 -19.788 -7.392 1.00 42.43 C ATOM 585 O TRP A 41 28.735 -20.995 -7.584 1.00 72.23 O ATOM 586 CB TRP A 41 27.173 -18.951 -9.011 1.00 61.33 C ATOM 587 CG TRP A 41 26.794 -17.949 -10.061 1.00 74.13 C ATOM 588 CD1 TRP A 41 26.675 -18.175 -11.403 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.486 -16.567 -9.855 1.00 44.13 C ATOM 590 NE1 TRP A 41 26.312 -17.014 -12.044 1.00 54.41 N ATOM 591 CE2 TRP A 41 26.189 -16.014 -11.116 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.431 -15.742 -8.729 1.00 51.42 C ATOM 593 CZ2 TRP A 41 25.843 -14.675 -11.279 1.00 72.03 C ATOM 594 CZ3 TRP A 41 26.088 -14.413 -8.892 1.00 23.02 C ATOM 595 CH2 TRP A 41 25.798 -13.891 -10.159 1.00 4.00 C ATOM 0 H TRP A 41 29.591 -19.883 -9.992 1.00 51.02 H new ATOM 0 HA TRP A 41 28.723 -17.779 -8.097 1.00 63.44 H new ATOM 0 HB2 TRP A 41 27.055 -19.955 -9.418 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.484 -18.864 -8.171 1.00 61.33 H new ATOM 0 HD1 TRP A 41 26.841 -19.125 -11.889 1.00 3.01 H new ATOM 0 HE1 TRP A 41 26.159 -16.914 -13.047 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.653 -16.136 -7.748 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.618 -14.270 -12.255 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 26.043 -13.766 -8.028 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.533 -12.848 -10.254 1.00 4.00 H new ATOM 606 N GLU A 42 29.293 -19.284 -6.231 1.00 14.31 N ATOM 607 CA GLU A 42 29.594 -20.141 -5.091 1.00 22.31 C ATOM 608 C GLU A 42 28.369 -20.304 -4.195 1.00 30.22 C ATOM 609 O GLU A 42 27.455 -19.480 -4.195 1.00 23.11 O ATOM 610 CB GLU A 42 30.757 -19.562 -4.283 1.00 42.11 C ATOM 611 CG GLU A 42 32.124 -19.964 -4.810 1.00 72.32 C ATOM 612 CD GLU A 42 33.183 -19.992 -3.725 1.00 0.20 C ATOM 613 OE1 GLU A 42 33.786 -18.932 -3.456 1.00 22.10 O1- ATOM 614 OE2 GLU A 42 33.408 -21.074 -3.143 1.00 22.45 O ATOM 0 H GLU A 42 29.422 -18.288 -6.056 1.00 14.31 H new ATOM 0 HA GLU A 42 29.878 -21.122 -5.471 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.682 -18.475 -4.283 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.666 -19.888 -3.247 1.00 42.11 H new ATOM 0 HG2 GLU A 42 32.056 -20.949 -5.271 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.428 -19.267 -5.591 1.00 72.32 H new ATOM 621 N PRO A 43 28.350 -21.394 -3.412 1.00 55.32 N ATOM 622 CA PRO A 43 27.245 -21.691 -2.497 1.00 0.45 C ATOM 623 C PRO A 43 27.190 -20.724 -1.320 1.00 61.23 C ATOM 624 O PRO A 43 28.145 -20.614 -0.549 1.00 55.41 O ATOM 625 CB PRO A 43 27.558 -23.109 -2.011 1.00 61.34 C ATOM 626 CG PRO A 43 29.035 -23.241 -2.159 1.00 40.42 C ATOM 627 CD PRO A 43 29.407 -22.418 -3.360 1.00 75.22 C ATOM 0 HA PRO A 43 26.275 -21.598 -2.986 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.249 -23.250 -0.975 1.00 61.34 H new ATOM 0 HB3 PRO A 43 27.032 -23.857 -2.605 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.550 -22.884 -1.267 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.322 -24.284 -2.297 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.395 -21.971 -3.250 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.429 -23.020 -4.269 1.00 75.22 H new ATOM 635 N PHE A 44 26.068 -20.026 -1.184 1.00 1.12 N ATOM 636 CA PHE A 44 25.890 -19.068 -0.100 1.00 62.35 C ATOM 637 C PHE A 44 24.895 -19.592 0.931 1.00 72.22 C ATOM 638 O PHE A 44 25.195 -19.652 2.123 1.00 41.04 O ATOM 639 CB PHE A 44 25.407 -17.724 -0.652 1.00 22.21 C ATOM 640 CG PHE A 44 25.314 -16.646 0.390 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.458 -16.132 0.978 1.00 54.50 C ATOM 642 CD2 PHE A 44 24.081 -16.148 0.781 1.00 44.44 C ATOM 643 CE1 PHE A 44 26.375 -15.139 1.937 1.00 13.33 C ATOM 644 CE2 PHE A 44 23.993 -15.156 1.739 1.00 23.30 C ATOM 645 CZ PHE A 44 25.141 -14.653 2.319 1.00 2.44 C ATOM 0 H PHE A 44 25.268 -20.106 -1.811 1.00 1.12 H new ATOM 0 HA PHE A 44 26.854 -18.928 0.389 1.00 62.35 H new ATOM 0 HB2 PHE A 44 26.086 -17.399 -1.440 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.428 -17.860 -1.111 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.426 -16.511 0.684 1.00 54.50 H new ATOM 0 HD2 PHE A 44 23.180 -16.539 0.332 1.00 44.44 H new ATOM 0 HE1 PHE A 44 27.274 -14.744 2.386 1.00 13.33 H new ATOM 0 HE2 PHE A 44 23.027 -14.774 2.034 1.00 23.30 H new ATOM 0 HZ PHE A 44 25.073 -13.880 3.071 1.00 2.44 H new ATOM 655 N ALA A 45 23.710 -19.970 0.464 1.00 74.54 N ATOM 656 CA ALA A 45 22.672 -20.491 1.344 1.00 71.13 C ATOM 657 C ALA A 45 21.639 -21.293 0.560 1.00 63.11 C ATOM 658 O ALA A 45 21.702 -21.374 -0.666 1.00 0.42 O ATOM 659 CB ALA A 45 21.999 -19.354 2.097 1.00 14.12 C ATOM 0 H ALA A 45 23.445 -19.925 -0.520 1.00 74.54 H new ATOM 0 HA ALA A 45 23.143 -21.160 2.064 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.226 -19.758 2.751 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.740 -18.825 2.696 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.548 -18.663 1.385 1.00 14.12 H new ATOM 665 N SER A 46 20.689 -21.886 1.277 1.00 60.52 N ATOM 666 CA SER A 46 19.645 -22.686 0.648 1.00 52.32 C ATOM 667 C SER A 46 18.544 -23.025 1.649 1.00 40.50 C ATOM 668 O SER A 46 18.791 -23.129 2.849 1.00 65.02 O ATOM 669 CB SER A 46 20.237 -23.972 0.069 1.00 70.12 C ATOM 670 OG SER A 46 19.280 -25.017 0.064 1.00 13.53 O ATOM 0 H SER A 46 20.621 -21.827 2.293 1.00 60.52 H new ATOM 0 HA SER A 46 19.209 -22.099 -0.161 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.586 -23.790 -0.947 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.105 -24.273 0.655 1.00 70.12 H new ATOM 0 HG SER A 46 19.683 -25.827 -0.312 1.00 13.53 H new ATOM 676 N GLY A 47 17.326 -23.197 1.143 1.00 11.14 N ATOM 677 CA GLY A 47 16.204 -23.523 2.005 1.00 1.53 C ATOM 678 C GLY A 47 14.905 -23.664 1.237 1.00 63.12 C ATOM 679 O GLY A 47 14.871 -23.481 0.020 1.00 62.23 O ATOM 0 H GLY A 47 17.096 -23.116 0.152 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.413 -24.454 2.533 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.093 -22.746 2.761 1.00 1.53 H new ATOM 683 N LYS A 48 13.832 -23.991 1.949 1.00 51.41 N ATOM 684 CA LYS A 48 12.523 -24.157 1.328 1.00 3.33 C ATOM 685 C LYS A 48 11.513 -23.179 1.917 1.00 14.54 C ATOM 686 O LYS A 48 11.691 -22.679 3.029 1.00 53.10 O ATOM 687 CB LYS A 48 12.027 -25.593 1.514 1.00 54.50 C ATOM 688 CG LYS A 48 12.893 -26.631 0.824 1.00 35.21 C ATOM 689 CD LYS A 48 12.442 -28.044 1.154 1.00 13.00 C ATOM 690 CE LYS A 48 13.424 -29.080 0.628 1.00 55.05 C ATOM 691 NZ LYS A 48 12.997 -30.468 0.960 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.843 -24.146 2.957 1.00 51.41 H new ATOM 0 HA LYS A 48 12.625 -23.949 0.263 1.00 3.33 H new ATOM 0 HB2 LYS A 48 11.984 -25.818 2.580 1.00 54.50 H new ATOM 0 HB3 LYS A 48 11.009 -25.669 1.131 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.855 -26.479 -0.255 1.00 35.21 H new ATOM 0 HG3 LYS A 48 13.931 -26.500 1.128 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.341 -28.152 2.234 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.457 -28.223 0.723 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.516 -28.977 -0.453 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.411 -28.893 1.051 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.692 -31.144 0.584 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 12.934 -30.574 1.993 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 12.067 -30.656 0.535 1.00 60.34 H new ATOM 705 N THR A 49 10.451 -22.908 1.165 1.00 35.43 N ATOM 706 CA THR A 49 9.412 -21.988 1.613 1.00 51.31 C ATOM 707 C THR A 49 8.375 -22.706 2.470 1.00 3.20 C ATOM 708 O THR A 49 8.362 -23.934 2.549 1.00 55.41 O ATOM 709 CB THR A 49 8.701 -21.320 0.421 1.00 40.10 C ATOM 710 OG1 THR A 49 8.031 -22.310 -0.368 1.00 34.44 O ATOM 711 CG2 THR A 49 9.695 -20.562 -0.446 1.00 72.54 C ATOM 0 H THR A 49 10.287 -23.312 0.243 1.00 35.43 H new ATOM 0 HA THR A 49 9.905 -21.220 2.209 1.00 51.31 H new ATOM 0 HB THR A 49 7.970 -20.612 0.813 1.00 40.10 H new ATOM 0 HG1 THR A 49 7.072 -22.295 -0.166 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.170 -20.099 -1.281 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.182 -19.790 0.149 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.446 -21.254 -0.828 1.00 72.54 H new ATOM 719 N SER A 50 7.506 -21.931 3.111 1.00 13.14 N ATOM 720 CA SER A 50 6.467 -22.493 3.967 1.00 23.01 C ATOM 721 C SER A 50 5.083 -22.052 3.501 1.00 61.40 C ATOM 722 O SER A 50 4.928 -21.516 2.403 1.00 4.13 O ATOM 723 CB SER A 50 6.687 -22.068 5.420 1.00 14.25 C ATOM 724 OG SER A 50 8.069 -21.998 5.727 1.00 22.21 O ATOM 0 H SER A 50 7.501 -20.913 3.054 1.00 13.14 H new ATOM 0 HA SER A 50 6.525 -23.579 3.901 1.00 23.01 H new ATOM 0 HB2 SER A 50 6.223 -21.097 5.592 1.00 14.25 H new ATOM 0 HB3 SER A 50 6.198 -22.778 6.088 1.00 14.25 H new ATOM 0 HG SER A 50 8.183 -21.723 6.661 1.00 22.21 H new ATOM 730 N GLU A 51 4.080 -22.284 4.342 1.00 40.23 N ATOM 731 CA GLU A 51 2.708 -21.912 4.016 1.00 60.32 C ATOM 732 C GLU A 51 2.601 -20.413 3.743 1.00 42.55 C ATOM 733 O GLU A 51 1.647 -19.953 3.116 1.00 73.13 O ATOM 734 CB GLU A 51 1.765 -22.302 5.156 1.00 71.34 C ATOM 735 CG GLU A 51 2.291 -21.934 6.533 1.00 5.20 C ATOM 736 CD GLU A 51 1.263 -21.200 7.372 1.00 50.43 C ATOM 737 OE1 GLU A 51 0.306 -21.852 7.840 1.00 12.23 O ATOM 738 OE2 GLU A 51 1.416 -19.976 7.562 1.00 51.42 O1- ATOM 0 H GLU A 51 4.192 -22.728 5.254 1.00 40.23 H new ATOM 0 HA GLU A 51 2.418 -22.450 3.114 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.802 -21.815 5.002 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.589 -23.377 5.119 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.600 -22.840 7.054 1.00 5.20 H new ATOM 0 HG3 GLU A 51 3.178 -21.310 6.424 1.00 5.20 H new ATOM 745 N SER A 52 3.587 -19.660 4.219 1.00 0.31 N ATOM 746 CA SER A 52 3.602 -18.213 4.031 1.00 24.21 C ATOM 747 C SER A 52 4.351 -17.840 2.756 1.00 24.50 C ATOM 748 O SER A 52 4.226 -16.723 2.253 1.00 12.24 O ATOM 749 CB SER A 52 4.249 -17.528 5.235 1.00 63.01 C ATOM 750 OG SER A 52 4.117 -16.119 5.153 1.00 15.33 O ATOM 0 H SER A 52 4.385 -20.027 4.737 1.00 0.31 H new ATOM 0 HA SER A 52 2.571 -17.872 3.939 1.00 24.21 H new ATOM 0 HB2 SER A 52 3.785 -17.887 6.154 1.00 63.01 H new ATOM 0 HB3 SER A 52 5.305 -17.795 5.285 1.00 63.01 H new ATOM 0 HG SER A 52 4.299 -15.722 6.030 1.00 15.33 H new ATOM 756 N GLY A 53 5.130 -18.783 2.237 1.00 45.14 N ATOM 757 CA GLY A 53 5.889 -18.535 1.024 1.00 60.22 C ATOM 758 C GLY A 53 7.172 -17.773 1.289 1.00 74.10 C ATOM 759 O GLY A 53 7.945 -17.508 0.369 1.00 12.51 O ATOM 0 H GLY A 53 5.250 -19.715 2.634 1.00 45.14 H new ATOM 0 HA2 GLY A 53 6.127 -19.486 0.547 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.274 -17.972 0.323 1.00 60.22 H new ATOM 763 N GLU A 54 7.398 -17.416 2.549 1.00 43.33 N ATOM 764 CA GLU A 54 8.595 -16.677 2.932 1.00 51.21 C ATOM 765 C GLU A 54 9.669 -17.620 3.466 1.00 32.34 C ATOM 766 O GLU A 54 9.371 -18.573 4.188 1.00 45.34 O ATOM 767 CB GLU A 54 8.255 -15.622 3.986 1.00 52.21 C ATOM 768 CG GLU A 54 7.507 -16.179 5.185 1.00 3.13 C ATOM 769 CD GLU A 54 7.754 -15.379 6.450 1.00 12.04 C ATOM 770 OE1 GLU A 54 8.058 -14.172 6.339 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 7.644 -15.959 7.550 1.00 3.21 O ATOM 0 H GLU A 54 6.767 -17.627 3.322 1.00 43.33 H new ATOM 0 HA GLU A 54 8.983 -16.179 2.044 1.00 51.21 H new ATOM 0 HB2 GLU A 54 9.177 -15.153 4.329 1.00 52.21 H new ATOM 0 HB3 GLU A 54 7.653 -14.840 3.524 1.00 52.21 H new ATOM 0 HG2 GLU A 54 6.439 -16.190 4.969 1.00 3.13 H new ATOM 0 HG3 GLU A 54 7.809 -17.213 5.349 1.00 3.13 H new ATOM 778 N LEU A 55 10.919 -17.348 3.108 1.00 2.41 N ATOM 779 CA LEU A 55 12.039 -18.171 3.551 1.00 22.44 C ATOM 780 C LEU A 55 13.167 -17.305 4.102 1.00 75.42 C ATOM 781 O LEU A 55 13.891 -16.656 3.347 1.00 42.00 O ATOM 782 CB LEU A 55 12.556 -19.028 2.395 1.00 1.43 C ATOM 783 CG LEU A 55 13.919 -19.690 2.607 1.00 62.34 C ATOM 784 CD1 LEU A 55 13.933 -20.475 3.910 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.261 -20.596 1.433 1.00 12.22 C ATOM 0 H LEU A 55 11.183 -16.563 2.512 1.00 2.41 H new ATOM 0 HA LEU A 55 11.685 -18.824 4.349 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.823 -19.809 2.192 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.612 -18.404 1.503 1.00 1.43 H new ATOM 0 HG LEU A 55 14.676 -18.908 2.669 1.00 62.34 H new ATOM 0 HD11 LEU A 55 14.910 -20.939 4.045 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.734 -19.801 4.743 1.00 65.40 H new ATOM 0 HD13 LEU A 55 13.165 -21.248 3.877 1.00 65.40 H new ATOM 0 HD21 LEU A 55 15.234 -21.058 1.601 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.502 -21.372 1.339 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.293 -20.007 0.516 1.00 12.22 H new ATOM 797 N HIS A 56 13.311 -17.301 5.424 1.00 62.22 N ATOM 798 CA HIS A 56 14.354 -16.517 6.076 1.00 52.21 C ATOM 799 C HIS A 56 15.229 -17.403 6.957 1.00 65.14 C ATOM 800 O HIS A 56 14.941 -18.584 7.148 1.00 61.43 O ATOM 801 CB HIS A 56 13.732 -15.400 6.915 1.00 44.24 C ATOM 802 CG HIS A 56 12.573 -15.851 7.749 1.00 31.34 C ATOM 803 ND1 HIS A 56 12.690 -16.187 9.080 1.00 24.42 N ATOM 804 CD2 HIS A 56 11.267 -16.021 7.433 1.00 65.14 C ATOM 805 CE1 HIS A 56 11.507 -16.545 9.548 1.00 13.10 C ATOM 806 NE2 HIS A 56 10.626 -16.451 8.568 1.00 75.35 N ATOM 0 H HIS A 56 12.719 -17.831 6.064 1.00 62.22 H new ATOM 0 HA HIS A 56 14.980 -16.074 5.301 1.00 52.21 H new ATOM 0 HB2 HIS A 56 14.496 -14.979 7.568 1.00 44.24 H new ATOM 0 HB3 HIS A 56 13.402 -14.600 6.252 1.00 44.24 H new ATOM 0 HD2 HIS A 56 10.814 -15.850 6.468 1.00 65.14 H new ATOM 0 HE1 HIS A 56 11.296 -16.861 10.559 1.00 13.10 H new ATOM 0 HE2 HIS A 56 9.631 -16.663 8.643 1.00 75.35 H new ATOM 814 N GLY A 57 16.301 -16.825 7.491 1.00 54.50 N ATOM 815 CA GLY A 57 17.202 -17.577 8.345 1.00 51.11 C ATOM 816 C GLY A 57 18.279 -18.298 7.558 1.00 44.14 C ATOM 817 O GLY A 57 18.936 -19.202 8.075 1.00 3.50 O ATOM 0 H GLY A 57 16.561 -15.849 7.347 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.670 -16.900 9.060 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.630 -18.304 8.922 1.00 51.11 H new ATOM 821 N LEU A 58 18.459 -17.901 6.303 1.00 1.11 N ATOM 822 CA LEU A 58 19.462 -18.517 5.442 1.00 53.45 C ATOM 823 C LEU A 58 20.870 -18.230 5.954 1.00 62.15 C ATOM 824 O LEU A 58 21.638 -19.149 6.242 1.00 35.35 O ATOM 825 CB LEU A 58 19.316 -18.006 4.007 1.00 64.24 C ATOM 826 CG LEU A 58 18.346 -18.782 3.115 1.00 4.24 C ATOM 827 CD1 LEU A 58 18.249 -18.133 1.742 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.782 -20.235 2.991 1.00 62.04 C ATOM 0 H LEU A 58 17.923 -17.155 5.859 1.00 1.11 H new ATOM 0 HA LEU A 58 19.302 -19.595 5.455 1.00 53.45 H new ATOM 0 HB2 LEU A 58 18.992 -16.966 4.044 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.299 -18.017 3.537 1.00 64.24 H new ATOM 0 HG LEU A 58 17.359 -18.758 3.576 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.555 -18.698 1.121 1.00 55.53 H new ATOM 0 HD12 LEU A 58 17.890 -17.109 1.848 1.00 55.53 H new ATOM 0 HD13 LEU A 58 19.233 -18.126 1.273 1.00 55.53 H new ATOM 0 HD21 LEU A 58 18.080 -20.772 2.353 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.779 -20.280 2.552 1.00 62.04 H new ATOM 0 HD23 LEU A 58 18.799 -20.695 3.979 1.00 62.04 H new ATOM 840 N THR A 59 21.203 -16.948 6.069 1.00 11.10 N ATOM 841 CA THR A 59 22.517 -16.539 6.548 1.00 32.02 C ATOM 842 C THR A 59 22.404 -15.413 7.570 1.00 65.34 C ATOM 843 O THR A 59 21.304 -14.983 7.918 1.00 12.31 O ATOM 844 CB THR A 59 23.419 -16.076 5.388 1.00 50.44 C ATOM 845 OG1 THR A 59 22.686 -15.211 4.513 1.00 55.13 O ATOM 846 CG2 THR A 59 23.947 -17.268 4.605 1.00 44.44 C ATOM 0 H THR A 59 20.580 -16.175 5.837 1.00 11.10 H new ATOM 0 HA THR A 59 22.966 -17.412 7.022 1.00 32.02 H new ATOM 0 HB THR A 59 24.266 -15.534 5.809 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.180 -15.099 3.674 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.581 -16.917 3.791 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.528 -17.910 5.267 1.00 44.44 H new ATOM 0 HG23 THR A 59 23.110 -17.833 4.195 1.00 44.44 H new ATOM 854 N THR A 60 23.550 -14.936 8.047 1.00 54.44 N ATOM 855 CA THR A 60 23.579 -13.860 9.029 1.00 13.13 C ATOM 856 C THR A 60 24.149 -12.581 8.426 1.00 21.15 C ATOM 857 O THR A 60 24.635 -12.581 7.296 1.00 14.52 O ATOM 858 CB THR A 60 24.415 -14.248 10.263 1.00 25.41 C ATOM 859 OG1 THR A 60 25.716 -14.688 9.856 1.00 64.13 O ATOM 860 CG2 THR A 60 23.727 -15.350 11.057 1.00 52.01 C ATOM 0 H THR A 60 24.470 -15.278 7.769 1.00 54.44 H new ATOM 0 HA THR A 60 22.548 -13.686 9.337 1.00 13.13 H new ATOM 0 HB THR A 60 24.513 -13.369 10.900 1.00 25.41 H new ATOM 0 HG1 THR A 60 26.241 -14.931 10.647 1.00 64.13 H new ATOM 0 HG21 THR A 60 24.335 -15.608 11.924 1.00 52.01 H new ATOM 0 HG22 THR A 60 22.749 -15.002 11.390 1.00 52.01 H new ATOM 0 HG23 THR A 60 23.603 -16.230 10.426 1.00 52.01 H new ATOM 868 N GLU A 61 24.086 -11.494 9.188 1.00 22.20 N ATOM 869 CA GLU A 61 24.596 -10.208 8.727 1.00 34.44 C ATOM 870 C GLU A 61 26.121 -10.189 8.745 1.00 75.15 C ATOM 871 O GLU A 61 26.753 -9.486 7.958 1.00 20.20 O ATOM 872 CB GLU A 61 24.050 -9.075 9.598 1.00 63.34 C ATOM 873 CG GLU A 61 24.601 -7.706 9.235 1.00 15.31 C ATOM 874 CD GLU A 61 25.859 -7.360 10.008 1.00 74.31 C ATOM 875 OE1 GLU A 61 25.973 -7.783 11.177 1.00 31.33 O ATOM 876 OE2 GLU A 61 26.729 -6.664 9.442 1.00 53.10 O1- ATOM 0 H GLU A 61 23.687 -11.478 10.127 1.00 22.20 H new ATOM 0 HA GLU A 61 24.261 -10.061 7.700 1.00 34.44 H new ATOM 0 HB2 GLU A 61 22.964 -9.054 9.512 1.00 63.34 H new ATOM 0 HB3 GLU A 61 24.284 -9.286 10.642 1.00 63.34 H new ATOM 0 HG2 GLU A 61 24.816 -7.676 8.167 1.00 15.31 H new ATOM 0 HG3 GLU A 61 23.841 -6.949 9.428 1.00 15.31 H new ATOM 883 N GLU A 62 26.706 -10.967 9.652 1.00 42.53 N ATOM 884 CA GLU A 62 28.157 -11.038 9.775 1.00 43.33 C ATOM 885 C GLU A 62 28.757 -11.870 8.645 1.00 65.32 C ATOM 886 O GLU A 62 29.930 -11.716 8.304 1.00 62.24 O ATOM 887 CB GLU A 62 28.547 -11.637 11.127 1.00 54.13 C ATOM 888 CG GLU A 62 27.759 -11.069 12.295 1.00 32.32 C ATOM 889 CD GLU A 62 28.651 -10.587 13.423 1.00 63.21 C ATOM 890 OE1 GLU A 62 29.229 -11.439 14.128 1.00 22.34 O1- ATOM 891 OE2 GLU A 62 28.771 -9.356 13.598 1.00 12.42 O ATOM 0 H GLU A 62 26.197 -11.556 10.311 1.00 42.53 H new ATOM 0 HA GLU A 62 28.553 -10.025 9.707 1.00 43.33 H new ATOM 0 HB2 GLU A 62 28.401 -12.717 11.092 1.00 54.13 H new ATOM 0 HB3 GLU A 62 29.610 -11.464 11.298 1.00 54.13 H new ATOM 0 HG2 GLU A 62 27.144 -10.240 11.944 1.00 32.32 H new ATOM 0 HG3 GLU A 62 27.080 -11.832 12.675 1.00 32.32 H new ATOM 898 N GLU A 63 27.945 -12.752 8.070 1.00 72.05 N ATOM 899 CA GLU A 63 28.397 -13.609 6.981 1.00 4.24 C ATOM 900 C GLU A 63 28.009 -13.019 5.628 1.00 63.22 C ATOM 901 O GLU A 63 28.698 -13.223 4.628 1.00 24.32 O ATOM 902 CB GLU A 63 27.805 -15.012 7.126 1.00 2.20 C ATOM 903 CG GLU A 63 28.117 -15.929 5.957 1.00 63.03 C ATOM 904 CD GLU A 63 29.607 -16.095 5.727 1.00 12.25 C ATOM 905 OE1 GLU A 63 30.251 -16.821 6.515 1.00 44.51 O1- ATOM 906 OE2 GLU A 63 30.130 -15.501 4.762 1.00 13.21 O ATOM 0 H GLU A 63 26.971 -12.891 8.340 1.00 72.05 H new ATOM 0 HA GLU A 63 29.484 -13.675 7.032 1.00 4.24 H new ATOM 0 HB2 GLU A 63 28.184 -15.464 8.042 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.723 -14.931 7.234 1.00 2.20 H new ATOM 0 HG2 GLU A 63 27.670 -16.907 6.138 1.00 63.03 H new ATOM 0 HG3 GLU A 63 27.656 -15.530 5.054 1.00 63.03 H new ATOM 913 N PHE A 64 26.901 -12.286 5.604 1.00 65.55 N ATOM 914 CA PHE A 64 26.419 -11.668 4.374 1.00 2.44 C ATOM 915 C PHE A 64 27.374 -10.574 3.905 1.00 64.41 C ATOM 916 O PHE A 64 27.543 -9.554 4.573 1.00 23.03 O ATOM 917 CB PHE A 64 25.021 -11.083 4.586 1.00 11.52 C ATOM 918 CG PHE A 64 24.420 -10.500 3.340 1.00 62.32 C ATOM 919 CD1 PHE A 64 23.730 -11.303 2.446 1.00 23.14 C ATOM 920 CD2 PHE A 64 24.546 -9.148 3.061 1.00 2.21 C ATOM 921 CE1 PHE A 64 23.175 -10.769 1.298 1.00 23.23 C ATOM 922 CE2 PHE A 64 23.993 -8.608 1.915 1.00 22.10 C ATOM 923 CZ PHE A 64 23.308 -9.421 1.032 1.00 20.10 C ATOM 0 H PHE A 64 26.320 -12.105 6.422 1.00 65.55 H new ATOM 0 HA PHE A 64 26.370 -12.438 3.605 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.363 -11.864 4.966 1.00 11.52 H new ATOM 0 HB3 PHE A 64 25.072 -10.309 5.352 1.00 11.52 H new ATOM 0 HD1 PHE A 64 23.625 -12.359 2.648 1.00 23.14 H new ATOM 0 HD2 PHE A 64 25.082 -8.509 3.747 1.00 2.21 H new ATOM 0 HE1 PHE A 64 22.638 -11.406 0.610 1.00 23.23 H new ATOM 0 HE2 PHE A 64 24.096 -7.553 1.710 1.00 22.10 H new ATOM 0 HZ PHE A 64 22.877 -9.002 0.135 1.00 20.10 H new ATOM 933 N VAL A 65 27.997 -10.795 2.752 1.00 21.05 N ATOM 934 CA VAL A 65 28.935 -9.829 2.193 1.00 15.40 C ATOM 935 C VAL A 65 28.333 -9.111 0.990 1.00 44.42 C ATOM 936 O VAL A 65 27.206 -9.397 0.586 1.00 15.41 O ATOM 937 CB VAL A 65 30.251 -10.507 1.766 1.00 4.22 C ATOM 938 CG1 VAL A 65 31.066 -10.908 2.987 1.00 44.35 C ATOM 939 CG2 VAL A 65 29.967 -11.714 0.885 1.00 3.14 C ATOM 0 H VAL A 65 27.869 -11.634 2.187 1.00 21.05 H new ATOM 0 HA VAL A 65 29.147 -9.103 2.978 1.00 15.40 H new ATOM 0 HB VAL A 65 30.836 -9.793 1.187 1.00 4.22 H new ATOM 0 HG11 VAL A 65 31.992 -11.385 2.666 1.00 44.35 H new ATOM 0 HG12 VAL A 65 31.300 -10.021 3.575 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.490 -11.605 3.596 1.00 44.35 H new ATOM 0 HG21 VAL A 65 30.908 -12.181 0.593 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.361 -12.433 1.437 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.428 -11.395 -0.007 1.00 3.14 H new ATOM 949 N GLU A 66 29.092 -8.179 0.424 1.00 71.12 N ATOM 950 CA GLU A 66 28.632 -7.419 -0.733 1.00 72.12 C ATOM 951 C GLU A 66 28.959 -8.153 -2.031 1.00 23.14 C ATOM 952 O GLU A 66 29.753 -9.094 -2.041 1.00 1.30 O ATOM 953 CB GLU A 66 29.270 -6.029 -0.746 1.00 3.54 C ATOM 954 CG GLU A 66 30.786 -6.056 -0.842 1.00 73.15 C ATOM 955 CD GLU A 66 31.393 -4.667 -0.876 1.00 11.41 C ATOM 956 OE1 GLU A 66 31.050 -3.893 -1.794 1.00 4.44 O1- ATOM 957 OE2 GLU A 66 32.212 -4.355 0.013 1.00 63.51 O ATOM 0 H GLU A 66 30.027 -7.932 0.747 1.00 71.12 H new ATOM 0 HA GLU A 66 27.550 -7.313 -0.658 1.00 72.12 H new ATOM 0 HB2 GLU A 66 28.871 -5.463 -1.588 1.00 3.54 H new ATOM 0 HB3 GLU A 66 28.981 -5.497 0.161 1.00 3.54 H new ATOM 0 HG2 GLU A 66 31.190 -6.604 0.009 1.00 73.15 H new ATOM 0 HG3 GLU A 66 31.080 -6.599 -1.740 1.00 73.15 H new ATOM 964 N GLY A 67 28.342 -7.715 -3.124 1.00 24.52 N ATOM 965 CA GLY A 67 28.579 -8.340 -4.411 1.00 43.11 C ATOM 966 C GLY A 67 27.298 -8.800 -5.078 1.00 53.01 C ATOM 967 O GLY A 67 26.202 -8.448 -4.640 1.00 30.33 O ATOM 0 H GLY A 67 27.682 -6.938 -3.141 1.00 24.52 H new ATOM 0 HA2 GLY A 67 29.092 -7.635 -5.065 1.00 43.11 H new ATOM 0 HA3 GLY A 67 29.243 -9.194 -4.280 1.00 43.11 H new ATOM 971 N ILE A 68 27.434 -9.586 -6.140 1.00 63.14 N ATOM 972 CA ILE A 68 26.279 -10.093 -6.869 1.00 74.20 C ATOM 973 C ILE A 68 25.863 -11.467 -6.353 1.00 31.45 C ATOM 974 O ILE A 68 26.699 -12.254 -5.910 1.00 12.54 O ATOM 975 CB ILE A 68 26.562 -10.188 -8.379 1.00 73.34 C ATOM 976 CG1 ILE A 68 27.179 -8.884 -8.888 1.00 50.12 C ATOM 977 CG2 ILE A 68 25.283 -10.507 -9.140 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.682 -8.950 -9.051 1.00 72.12 C ATOM 0 H ILE A 68 28.334 -9.886 -6.515 1.00 63.14 H new ATOM 0 HA ILE A 68 25.467 -9.384 -6.705 1.00 74.20 H new ATOM 0 HB ILE A 68 27.274 -10.996 -8.549 1.00 73.34 H new ATOM 0 HG12 ILE A 68 26.728 -8.628 -9.847 1.00 50.12 H new ATOM 0 HG13 ILE A 68 26.932 -8.080 -8.195 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.500 -10.571 -10.206 1.00 20.00 H new ATOM 0 HG22 ILE A 68 24.882 -11.459 -8.794 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.550 -9.720 -8.966 1.00 20.00 H new ATOM 0 HD11 ILE A 68 29.051 -7.991 -9.415 1.00 72.12 H new ATOM 0 HD12 ILE A 68 29.143 -9.175 -8.089 1.00 72.12 H new ATOM 0 HD13 ILE A 68 28.936 -9.732 -9.767 1.00 72.12 H new ATOM 990 N TYR A 69 24.566 -11.749 -6.416 1.00 70.53 N ATOM 991 CA TYR A 69 24.040 -13.028 -5.955 1.00 5.55 C ATOM 992 C TYR A 69 23.141 -13.660 -7.014 1.00 31.10 C ATOM 993 O TYR A 69 22.701 -12.994 -7.950 1.00 43.33 O ATOM 994 CB TYR A 69 23.259 -12.842 -4.653 1.00 75.15 C ATOM 995 CG TYR A 69 24.140 -12.586 -3.450 1.00 74.35 C ATOM 996 CD1 TYR A 69 24.605 -11.309 -3.165 1.00 43.05 C ATOM 997 CD2 TYR A 69 24.506 -13.622 -2.601 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.411 -11.071 -2.068 1.00 42.14 C ATOM 999 CE2 TYR A 69 25.309 -13.393 -1.500 1.00 72.34 C ATOM 1000 CZ TYR A 69 25.759 -12.116 -1.239 1.00 12.51 C ATOM 1001 OH TYR A 69 26.561 -11.883 -0.144 1.00 52.05 O ATOM 0 H TYR A 69 23.860 -11.109 -6.782 1.00 70.53 H new ATOM 0 HA TYR A 69 24.883 -13.695 -5.774 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.567 -12.008 -4.770 1.00 75.15 H new ATOM 0 HB3 TYR A 69 22.657 -13.732 -4.470 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.332 -10.488 -3.812 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.157 -14.624 -2.805 1.00 31.25 H new ATOM 0 HE1 TYR A 69 25.766 -10.072 -1.861 1.00 42.14 H new ATOM 0 HE2 TYR A 69 25.582 -14.209 -0.848 1.00 72.34 H new ATOM 0 HH TYR A 69 26.585 -10.922 0.045 1.00 52.05 H new ATOM 1011 N LYS A 70 22.873 -14.953 -6.857 1.00 53.33 N ATOM 1012 CA LYS A 70 22.025 -15.677 -7.796 1.00 53.10 C ATOM 1013 C LYS A 70 21.151 -16.692 -7.069 1.00 14.23 C ATOM 1014 O LYS A 70 21.654 -17.622 -6.439 1.00 71.33 O ATOM 1015 CB LYS A 70 22.884 -16.388 -8.846 1.00 4.23 C ATOM 1016 CG LYS A 70 22.108 -16.808 -10.083 1.00 73.02 C ATOM 1017 CD LYS A 70 22.495 -18.207 -10.534 1.00 24.44 C ATOM 1018 CE LYS A 70 22.069 -19.258 -9.520 1.00 24.25 C ATOM 1019 NZ LYS A 70 20.612 -19.179 -9.219 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.231 -15.520 -6.088 1.00 53.33 H new ATOM 0 HA LYS A 70 21.377 -14.955 -8.292 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.698 -15.728 -9.145 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.338 -17.270 -8.395 1.00 4.23 H new ATOM 0 HG2 LYS A 70 21.039 -16.775 -9.872 1.00 73.02 H new ATOM 0 HG3 LYS A 70 22.296 -16.099 -10.890 1.00 73.02 H new ATOM 0 HD2 LYS A 70 22.032 -18.421 -11.497 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.574 -18.258 -10.681 1.00 24.44 H new ATOM 0 HE2 LYS A 70 22.308 -20.250 -9.903 1.00 24.25 H new ATOM 0 HE3 LYS A 70 22.638 -19.126 -8.600 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 20.367 -19.889 -8.499 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 20.382 -18.230 -8.862 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 20.068 -19.363 -10.086 1.00 5.14 H new ATOM 1033 N VAL A 71 19.837 -16.509 -7.159 1.00 73.11 N ATOM 1034 CA VAL A 71 18.891 -17.410 -6.511 1.00 34.45 C ATOM 1035 C VAL A 71 18.293 -18.391 -7.513 1.00 63.22 C ATOM 1036 O VAL A 71 18.040 -18.041 -8.664 1.00 63.42 O ATOM 1037 CB VAL A 71 17.751 -16.631 -5.829 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.723 -17.590 -5.248 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.306 -15.714 -4.749 1.00 13.51 C ATOM 0 H VAL A 71 19.403 -15.744 -7.675 1.00 73.11 H new ATOM 0 HA VAL A 71 19.447 -17.962 -5.754 1.00 34.45 H new ATOM 0 HB VAL A 71 17.255 -16.014 -6.579 1.00 32.41 H new ATOM 0 HG11 VAL A 71 15.925 -17.022 -4.770 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.304 -18.202 -6.047 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.202 -18.234 -4.510 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.487 -15.171 -4.277 1.00 13.51 H new ATOM 0 HG22 VAL A 71 18.827 -16.309 -3.999 1.00 13.51 H new ATOM 0 HG23 VAL A 71 19.002 -15.004 -5.197 1.00 13.51 H new ATOM 1049 N GLU A 72 18.070 -19.623 -7.065 1.00 52.24 N ATOM 1050 CA GLU A 72 17.502 -20.656 -7.923 1.00 34.02 C ATOM 1051 C GLU A 72 16.288 -21.303 -7.264 1.00 45.41 C ATOM 1052 O GLU A 72 16.407 -21.965 -6.233 1.00 32.53 O ATOM 1053 CB GLU A 72 18.553 -21.723 -8.240 1.00 24.24 C ATOM 1054 CG GLU A 72 18.962 -21.756 -9.702 1.00 50.22 C ATOM 1055 CD GLU A 72 18.242 -22.837 -10.485 1.00 65.25 C ATOM 1056 OE1 GLU A 72 17.016 -22.987 -10.298 1.00 13.41 O ATOM 1057 OE2 GLU A 72 18.904 -23.534 -11.283 1.00 24.10 O1- ATOM 0 H GLU A 72 18.274 -19.929 -6.114 1.00 52.24 H new ATOM 0 HA GLU A 72 17.182 -20.185 -8.852 1.00 34.02 H new ATOM 0 HB2 GLU A 72 19.437 -21.544 -7.628 1.00 24.24 H new ATOM 0 HB3 GLU A 72 18.163 -22.701 -7.958 1.00 24.24 H new ATOM 0 HG2 GLU A 72 18.756 -20.786 -10.155 1.00 50.22 H new ATOM 0 HG3 GLU A 72 20.038 -21.918 -9.771 1.00 50.22 H new ATOM 1064 N ILE A 73 15.120 -21.106 -7.866 1.00 61.12 N ATOM 1065 CA ILE A 73 13.883 -21.670 -7.338 1.00 75.21 C ATOM 1066 C ILE A 73 13.470 -22.914 -8.118 1.00 61.50 C ATOM 1067 O ILE A 73 13.502 -22.926 -9.349 1.00 61.15 O ATOM 1068 CB ILE A 73 12.734 -20.647 -7.381 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.199 -19.301 -6.818 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.534 -21.164 -6.603 1.00 45.44 C ATOM 1071 CD1 ILE A 73 12.125 -18.237 -6.831 1.00 64.32 C ATOM 0 H ILE A 73 15.004 -20.560 -8.720 1.00 61.12 H new ATOM 0 HA ILE A 73 14.078 -21.941 -6.300 1.00 75.21 H new ATOM 0 HB ILE A 73 12.435 -20.503 -8.419 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.544 -19.444 -5.794 1.00 2.24 H new ATOM 0 HG13 ILE A 73 14.054 -18.950 -7.397 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.730 -20.429 -6.643 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.191 -22.101 -7.043 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.819 -21.333 -5.565 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.525 -17.311 -6.418 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.796 -18.065 -7.856 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.279 -18.567 -6.229 1.00 64.32 H new ATOM 1083 N ASP A 74 13.081 -23.957 -7.394 1.00 20.43 N ATOM 1084 CA ASP A 74 12.658 -25.206 -8.016 1.00 51.21 C ATOM 1085 C ASP A 74 11.137 -25.328 -8.011 1.00 25.22 C ATOM 1086 O ASP A 74 10.559 -25.988 -7.147 1.00 75.54 O ATOM 1087 CB ASP A 74 13.280 -26.399 -7.292 1.00 1.22 C ATOM 1088 CG ASP A 74 13.474 -27.595 -8.203 1.00 72.00 C ATOM 1089 OD1 ASP A 74 13.682 -27.388 -9.418 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 13.417 -28.737 -7.702 1.00 5.22 O ATOM 0 H ASP A 74 13.050 -23.962 -6.374 1.00 20.43 H new ATOM 0 HA ASP A 74 13.001 -25.201 -9.051 1.00 51.21 H new ATOM 0 HB2 ASP A 74 14.243 -26.105 -6.874 1.00 1.22 H new ATOM 0 HB3 ASP A 74 12.643 -26.684 -6.455 1.00 1.22 H new ATOM 1095 N THR A 75 10.494 -24.687 -8.982 1.00 25.23 N ATOM 1096 CA THR A 75 9.040 -24.722 -9.088 1.00 73.01 C ATOM 1097 C THR A 75 8.545 -26.131 -9.390 1.00 65.31 C ATOM 1098 O THR A 75 7.419 -26.493 -9.045 1.00 53.44 O ATOM 1099 CB THR A 75 8.535 -23.766 -10.186 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.808 -24.317 -11.479 1.00 31.11 O ATOM 1101 CG2 THR A 75 9.193 -22.400 -10.060 1.00 30.20 C ATOM 0 H THR A 75 10.957 -24.138 -9.706 1.00 25.23 H new ATOM 0 HA THR A 75 8.644 -24.400 -8.125 1.00 73.01 H new ATOM 0 HB THR A 75 7.459 -23.644 -10.064 1.00 32.14 H new ATOM 0 HG1 THR A 75 8.023 -24.811 -11.796 1.00 31.11 H new ATOM 0 HG21 THR A 75 8.821 -21.743 -10.846 1.00 30.20 H new ATOM 0 HG22 THR A 75 8.957 -21.971 -9.086 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.273 -22.506 -10.158 1.00 30.20 H new ATOM 1109 N LYS A 76 9.392 -26.926 -10.036 1.00 33.31 N ATOM 1110 CA LYS A 76 9.041 -28.298 -10.382 1.00 53.53 C ATOM 1111 C LYS A 76 8.549 -29.060 -9.157 1.00 52.22 C ATOM 1112 O LYS A 76 7.617 -29.860 -9.244 1.00 33.40 O ATOM 1113 CB LYS A 76 10.248 -29.015 -10.992 1.00 42.11 C ATOM 1114 CG LYS A 76 11.428 -29.132 -10.045 1.00 35.11 C ATOM 1115 CD LYS A 76 11.451 -30.480 -9.345 1.00 64.45 C ATOM 1116 CE LYS A 76 12.280 -31.496 -10.116 1.00 4.34 C ATOM 1117 NZ LYS A 76 12.691 -32.642 -9.260 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.327 -26.643 -10.330 1.00 33.31 H new ATOM 0 HA LYS A 76 8.235 -28.267 -11.115 1.00 53.53 H new ATOM 0 HB2 LYS A 76 9.946 -30.014 -11.307 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.563 -28.480 -11.888 1.00 42.11 H new ATOM 0 HG2 LYS A 76 12.356 -28.994 -10.600 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.379 -28.336 -9.302 1.00 35.11 H new ATOM 0 HD2 LYS A 76 11.859 -30.363 -8.341 1.00 64.45 H new ATOM 0 HD3 LYS A 76 10.432 -30.850 -9.233 1.00 64.45 H new ATOM 0 HE2 LYS A 76 11.704 -31.865 -10.965 1.00 4.34 H new ATOM 0 HE3 LYS A 76 13.167 -31.009 -10.520 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 13.254 -33.311 -9.823 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 13.262 -32.293 -8.464 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 11.845 -33.123 -8.894 1.00 11.00 H new ATOM 1131 N SER A 77 9.179 -28.805 -8.015 1.00 50.35 N ATOM 1132 CA SER A 77 8.806 -29.470 -6.772 1.00 24.21 C ATOM 1133 C SER A 77 7.390 -29.085 -6.353 1.00 74.33 C ATOM 1134 O SER A 77 6.672 -29.881 -5.747 1.00 24.13 O ATOM 1135 CB SER A 77 9.794 -29.109 -5.660 1.00 2.11 C ATOM 1136 OG SER A 77 11.062 -29.694 -5.896 1.00 64.04 O ATOM 0 H SER A 77 9.950 -28.143 -7.925 1.00 50.35 H new ATOM 0 HA SER A 77 8.836 -30.546 -6.941 1.00 24.21 H new ATOM 0 HB2 SER A 77 9.896 -28.026 -5.597 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.406 -29.449 -4.700 1.00 2.11 H new ATOM 0 HG SER A 77 11.556 -29.153 -6.547 1.00 64.04 H new ATOM 1142 N TYR A 78 6.996 -27.860 -6.681 1.00 62.35 N ATOM 1143 CA TYR A 78 5.667 -27.367 -6.338 1.00 72.42 C ATOM 1144 C TYR A 78 4.642 -27.793 -7.384 1.00 51.41 C ATOM 1145 O TYR A 78 3.457 -27.946 -7.084 1.00 23.54 O ATOM 1146 CB TYR A 78 5.682 -25.843 -6.213 1.00 12.14 C ATOM 1147 CG TYR A 78 4.404 -25.270 -5.642 1.00 1.42 C ATOM 1148 CD1 TYR A 78 3.846 -25.788 -4.480 1.00 30.23 C ATOM 1149 CD2 TYR A 78 3.755 -24.211 -6.265 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.679 -25.269 -3.955 1.00 24.52 C ATOM 1151 CE2 TYR A 78 2.588 -23.684 -5.746 1.00 34.34 C ATOM 1152 CZ TYR A 78 2.054 -24.216 -4.591 1.00 21.50 C ATOM 1153 OH TYR A 78 0.891 -23.694 -4.071 1.00 72.23 O ATOM 0 H TYR A 78 7.578 -27.190 -7.184 1.00 62.35 H new ATOM 0 HA TYR A 78 5.382 -27.800 -5.379 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.518 -25.547 -5.579 1.00 12.14 H new ATOM 0 HB3 TYR A 78 5.858 -25.408 -7.197 1.00 12.14 H new ATOM 0 HD1 TYR A 78 4.333 -26.611 -3.978 1.00 30.23 H new ATOM 0 HD2 TYR A 78 4.170 -23.793 -7.170 1.00 70.41 H new ATOM 0 HE1 TYR A 78 2.258 -25.685 -3.052 1.00 24.52 H new ATOM 0 HE2 TYR A 78 2.097 -22.860 -6.242 1.00 34.34 H new ATOM 0 HH TYR A 78 0.832 -22.742 -4.294 1.00 72.23 H new ATOM 1163 N TRP A 79 5.106 -27.983 -8.615 1.00 73.24 N ATOM 1164 CA TRP A 79 4.229 -28.392 -9.706 1.00 62.55 C ATOM 1165 C TRP A 79 3.966 -29.893 -9.661 1.00 11.32 C ATOM 1166 O TRP A 79 2.954 -30.373 -10.170 1.00 34.45 O ATOM 1167 CB TRP A 79 4.847 -28.011 -11.053 1.00 35.20 C ATOM 1168 CG TRP A 79 4.977 -26.530 -11.248 1.00 34.11 C ATOM 1169 CD1 TRP A 79 6.100 -25.848 -11.619 1.00 52.43 C ATOM 1170 CD2 TRP A 79 3.947 -25.550 -11.081 1.00 52.00 C ATOM 1171 NE1 TRP A 79 5.830 -24.502 -11.693 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.515 -24.294 -11.369 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.598 -25.611 -10.720 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 3.782 -23.113 -11.303 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 1.871 -24.438 -10.655 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.465 -23.201 -10.946 1.00 2.41 C ATOM 0 H TRP A 79 6.083 -27.860 -8.882 1.00 73.24 H new ATOM 0 HA TRP A 79 3.278 -27.872 -9.589 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.833 -28.469 -11.135 1.00 35.20 H new ATOM 0 HB3 TRP A 79 4.235 -28.424 -11.855 1.00 35.20 H new ATOM 0 HD1 TRP A 79 7.059 -26.299 -11.824 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.500 -23.776 -11.948 1.00 13.12 H new ATOM 0 HE3 TRP A 79 2.132 -26.559 -10.496 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.238 -22.160 -11.526 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 0.828 -24.474 -10.376 1.00 34.34 H new ATOM 0 HH2 TRP A 79 1.871 -22.301 -10.887 1.00 2.41 H new ATOM 1187 N LYS A 80 4.885 -30.632 -9.047 1.00 14.35 N ATOM 1188 CA LYS A 80 4.753 -32.080 -8.934 1.00 74.13 C ATOM 1189 C LYS A 80 3.797 -32.452 -7.806 1.00 72.35 C ATOM 1190 O LYS A 80 3.251 -33.554 -7.779 1.00 42.42 O ATOM 1191 CB LYS A 80 6.122 -32.720 -8.690 1.00 2.35 C ATOM 1192 CG LYS A 80 6.612 -32.578 -7.259 1.00 11.13 C ATOM 1193 CD LYS A 80 6.495 -33.888 -6.498 1.00 4.54 C ATOM 1194 CE LYS A 80 7.771 -34.711 -6.605 1.00 14.23 C ATOM 1195 NZ LYS A 80 7.887 -35.700 -5.498 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.729 -30.251 -8.620 1.00 14.35 H new ATOM 0 HA LYS A 80 4.345 -32.457 -9.872 1.00 74.13 H new ATOM 0 HB2 LYS A 80 6.070 -33.779 -8.944 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.851 -32.267 -9.362 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.651 -32.248 -7.260 1.00 11.13 H new ATOM 0 HG3 LYS A 80 6.033 -31.807 -6.750 1.00 11.13 H new ATOM 0 HD2 LYS A 80 6.280 -33.683 -5.449 1.00 4.54 H new ATOM 0 HD3 LYS A 80 5.656 -34.463 -6.889 1.00 4.54 H new ATOM 0 HE2 LYS A 80 7.787 -35.233 -7.562 1.00 14.23 H new ATOM 0 HE3 LYS A 80 8.635 -34.046 -6.590 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 8.769 -36.241 -5.606 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 7.897 -35.201 -4.586 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 7.076 -36.351 -5.527 1.00 15.12 H new ATOM 1209 N ALA A 81 3.598 -31.524 -6.875 1.00 25.24 N ATOM 1210 CA ALA A 81 2.705 -31.753 -5.746 1.00 60.14 C ATOM 1211 C ALA A 81 1.263 -31.920 -6.212 1.00 25.04 C ATOM 1212 O ALA A 81 0.504 -32.707 -5.646 1.00 75.40 O ATOM 1213 CB ALA A 81 2.811 -30.610 -4.749 1.00 62.23 C ATOM 0 H ALA A 81 4.044 -30.606 -6.881 1.00 25.24 H new ATOM 0 HA ALA A 81 3.010 -32.677 -5.255 1.00 60.14 H new ATOM 0 HB1 ALA A 81 2.139 -30.794 -3.911 1.00 62.23 H new ATOM 0 HB2 ALA A 81 3.835 -30.540 -4.383 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.535 -29.675 -5.237 1.00 62.23 H new ATOM 1219 N LEU A 82 0.890 -31.174 -7.246 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.462 -31.238 -7.789 1.00 42.14 C ATOM 1221 C LEU A 82 -0.473 -31.932 -9.147 1.00 63.11 C ATOM 1222 O LEU A 82 -1.496 -32.458 -9.580 1.00 71.54 O ATOM 1223 CB LEU A 82 -1.050 -29.831 -7.917 1.00 1.31 C ATOM 1224 CG LEU A 82 -0.049 -28.678 -7.839 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.889 -28.702 -9.035 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -0.778 -27.344 -7.759 1.00 52.23 C ATOM 0 H LEU A 82 1.506 -30.517 -7.725 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.075 -31.820 -7.100 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.578 -29.764 -8.868 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -1.792 -29.696 -7.130 1.00 1.31 H new ATOM 0 HG LEU A 82 0.546 -28.801 -6.934 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.594 -27.874 -8.961 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.437 -29.644 -9.049 1.00 30.23 H new ATOM 0 HD13 LEU A 82 0.310 -28.605 -9.953 1.00 30.23 H new ATOM 0 HD21 LEU A 82 -0.050 -26.534 -7.704 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.398 -27.215 -8.646 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.408 -27.326 -6.870 1.00 52.23 H new ATOM 1238 N GLY A 83 0.677 -31.928 -9.816 1.00 74.15 N ATOM 1239 CA GLY A 83 0.780 -32.562 -11.117 1.00 24.44 C ATOM 1240 C GLY A 83 0.504 -31.598 -12.254 1.00 53.33 C ATOM 1241 O GLY A 83 -0.245 -31.915 -13.178 1.00 44.53 O ATOM 0 H GLY A 83 1.538 -31.497 -9.480 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.779 -32.982 -11.235 1.00 24.44 H new ATOM 0 HA3 GLY A 83 0.076 -33.393 -11.170 1.00 24.44 H new ATOM 1245 N ILE A 84 1.109 -30.417 -12.186 1.00 11.52 N ATOM 1246 CA ILE A 84 0.925 -29.404 -13.218 1.00 73.53 C ATOM 1247 C ILE A 84 1.988 -29.526 -14.304 1.00 73.31 C ATOM 1248 O ILE A 84 3.157 -29.782 -14.017 1.00 12.13 O ATOM 1249 CB ILE A 84 0.972 -27.983 -12.626 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.445 -27.477 -12.345 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.699 -27.039 -13.572 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.315 -28.485 -11.626 1.00 31.45 C ATOM 0 H ILE A 84 1.731 -30.138 -11.427 1.00 11.52 H new ATOM 0 HA ILE A 84 -0.059 -29.574 -13.656 1.00 73.53 H new ATOM 0 HB ILE A 84 1.520 -28.016 -11.684 1.00 20.52 H new ATOM 0 HG12 ILE A 84 -0.386 -26.568 -11.746 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -0.919 -27.207 -13.288 1.00 42.11 H new ATOM 0 HG21 ILE A 84 1.724 -26.039 -13.140 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.718 -27.393 -13.727 1.00 54.52 H new ATOM 0 HG23 ILE A 84 1.176 -27.008 -14.528 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.304 -28.059 -11.460 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.405 -29.386 -12.233 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -0.863 -28.737 -10.667 1.00 31.45 H new ATOM 1264 N SER A 85 1.573 -29.338 -15.553 1.00 52.21 N ATOM 1265 CA SER A 85 2.489 -29.429 -16.684 1.00 24.12 C ATOM 1266 C SER A 85 3.700 -28.523 -16.477 1.00 3.33 C ATOM 1267 O SER A 85 3.605 -27.297 -16.525 1.00 53.24 O ATOM 1268 CB SER A 85 1.772 -29.050 -17.981 1.00 54.52 C ATOM 1269 OG SER A 85 2.488 -29.512 -19.113 1.00 23.32 O ATOM 0 H SER A 85 0.609 -29.122 -15.807 1.00 52.21 H new ATOM 0 HA SER A 85 2.835 -30.460 -16.756 1.00 24.12 H new ATOM 0 HB2 SER A 85 0.768 -29.475 -17.983 1.00 54.52 H new ATOM 0 HB3 SER A 85 1.659 -27.967 -18.035 1.00 54.52 H new ATOM 0 HG SER A 85 2.008 -29.259 -19.929 1.00 23.32 H new ATOM 1275 N PRO A 86 4.866 -29.141 -16.240 1.00 42.12 N ATOM 1276 CA PRO A 86 6.119 -28.410 -16.020 1.00 71.24 C ATOM 1277 C PRO A 86 6.624 -27.732 -17.289 1.00 40.35 C ATOM 1278 O PRO A 86 7.557 -28.212 -17.931 1.00 12.43 O ATOM 1279 CB PRO A 86 7.093 -29.503 -15.575 1.00 45.12 C ATOM 1280 CG PRO A 86 6.549 -30.760 -16.162 1.00 24.31 C ATOM 1281 CD PRO A 86 5.053 -30.600 -16.169 1.00 65.12 C ATOM 0 HA PRO A 86 6.000 -27.605 -15.295 1.00 71.24 H new ATOM 0 HB2 PRO A 86 8.103 -29.303 -15.934 1.00 45.12 H new ATOM 0 HB3 PRO A 86 7.148 -29.565 -14.488 1.00 45.12 H new ATOM 0 HG2 PRO A 86 6.930 -30.916 -17.171 1.00 24.31 H new ATOM 0 HG3 PRO A 86 6.846 -31.627 -15.572 1.00 24.31 H new ATOM 0 HD2 PRO A 86 4.599 -31.105 -17.021 1.00 65.12 H new ATOM 0 HD3 PRO A 86 4.600 -31.020 -15.271 1.00 65.12 H new ATOM 1289 N MET A 87 6.002 -26.612 -17.643 1.00 43.33 N ATOM 1290 CA MET A 87 6.390 -25.867 -18.834 1.00 1.42 C ATOM 1291 C MET A 87 7.883 -25.554 -18.818 1.00 55.04 C ATOM 1292 O MET A 87 8.576 -25.735 -19.820 1.00 10.13 O ATOM 1293 CB MET A 87 5.587 -24.568 -18.935 1.00 20.04 C ATOM 1294 CG MET A 87 4.358 -24.680 -19.823 1.00 72.24 C ATOM 1295 SD MET A 87 3.229 -25.978 -19.286 1.00 22.31 S ATOM 1296 CE MET A 87 1.926 -25.818 -20.505 1.00 35.42 C ATOM 0 H MET A 87 5.227 -26.201 -17.122 1.00 43.33 H new ATOM 0 HA MET A 87 6.175 -26.487 -19.704 1.00 1.42 H new ATOM 0 HB2 MET A 87 5.276 -24.264 -17.935 1.00 20.04 H new ATOM 0 HB3 MET A 87 6.234 -23.780 -19.321 1.00 20.04 H new ATOM 0 HG2 MET A 87 3.831 -23.726 -19.830 1.00 72.24 H new ATOM 0 HG3 MET A 87 4.672 -24.878 -20.848 1.00 72.24 H new ATOM 0 HE1 MET A 87 1.101 -26.482 -20.246 1.00 35.42 H new ATOM 0 HE2 MET A 87 1.570 -24.788 -20.524 1.00 35.42 H new ATOM 0 HE3 MET A 87 2.313 -26.087 -21.488 1.00 35.42 H new ATOM 1306 N HIS A 88 8.373 -25.086 -17.675 1.00 0.52 N ATOM 1307 CA HIS A 88 9.784 -24.749 -17.528 1.00 51.21 C ATOM 1308 C HIS A 88 10.446 -25.630 -16.474 1.00 23.12 C ATOM 1309 O HIS A 88 9.784 -26.438 -15.822 1.00 50.35 O ATOM 1310 CB HIS A 88 9.942 -23.276 -17.151 1.00 24.12 C ATOM 1311 CG HIS A 88 9.462 -22.956 -15.770 1.00 62.11 C ATOM 1312 ND1 HIS A 88 10.290 -22.478 -14.776 1.00 74.54 N ATOM 1313 CD2 HIS A 88 8.229 -23.047 -15.217 1.00 20.22 C ATOM 1314 CE1 HIS A 88 9.588 -22.290 -13.674 1.00 21.10 C ATOM 1315 NE2 HIS A 88 8.335 -22.627 -13.914 1.00 3.14 N ATOM 0 H HIS A 88 7.813 -24.931 -16.836 1.00 0.52 H new ATOM 0 HA HIS A 88 10.276 -24.926 -18.485 1.00 51.21 H new ATOM 0 HB2 HIS A 88 10.993 -22.999 -17.235 1.00 24.12 H new ATOM 0 HB3 HIS A 88 9.393 -22.665 -17.868 1.00 24.12 H new ATOM 0 HD2 HIS A 88 7.330 -23.387 -15.709 1.00 20.22 H new ATOM 0 HE1 HIS A 88 9.974 -21.922 -12.735 1.00 21.10 H new ATOM 0 HE2 HIS A 88 7.570 -22.583 -13.241 1.00 3.14 H new ATOM 1323 N GLU A 89 11.756 -25.470 -16.312 1.00 53.32 N ATOM 1324 CA GLU A 89 12.507 -26.252 -15.337 1.00 13.34 C ATOM 1325 C GLU A 89 12.541 -25.547 -13.984 1.00 2.34 C ATOM 1326 O GLU A 89 11.853 -25.949 -13.044 1.00 33.31 O ATOM 1327 CB GLU A 89 13.933 -26.495 -15.835 1.00 13.54 C ATOM 1328 CG GLU A 89 14.039 -27.614 -16.857 1.00 22.51 C ATOM 1329 CD GLU A 89 15.472 -27.901 -17.261 1.00 44.10 C ATOM 1330 OE1 GLU A 89 16.334 -27.994 -16.362 1.00 31.10 O1- ATOM 1331 OE2 GLU A 89 15.732 -28.032 -18.475 1.00 63.34 O ATOM 0 H GLU A 89 12.319 -24.806 -16.843 1.00 53.32 H new ATOM 0 HA GLU A 89 12.005 -27.212 -15.214 1.00 13.34 H new ATOM 0 HB2 GLU A 89 14.317 -25.575 -16.275 1.00 13.54 H new ATOM 0 HB3 GLU A 89 14.571 -26.731 -14.983 1.00 13.54 H new ATOM 0 HG2 GLU A 89 13.593 -28.520 -16.446 1.00 22.51 H new ATOM 0 HG3 GLU A 89 13.462 -27.348 -17.743 1.00 22.51 H new ATOM 1338 N HIS A 90 13.346 -24.494 -13.892 1.00 12.33 N ATOM 1339 CA HIS A 90 13.471 -23.732 -12.655 1.00 64.04 C ATOM 1340 C HIS A 90 13.588 -22.240 -12.944 1.00 64.34 C ATOM 1341 O HIS A 90 13.778 -21.833 -14.090 1.00 61.10 O ATOM 1342 CB HIS A 90 14.688 -24.206 -11.860 1.00 14.33 C ATOM 1343 CG HIS A 90 15.924 -24.363 -12.693 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.620 -25.549 -12.790 1.00 21.34 N ATOM 1345 CD2 HIS A 90 16.585 -23.475 -13.469 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.657 -25.383 -13.590 1.00 42.11 C ATOM 1347 NE2 HIS A 90 17.659 -24.134 -14.017 1.00 64.31 N ATOM 0 H HIS A 90 13.922 -24.149 -14.660 1.00 12.33 H new ATOM 0 HA HIS A 90 12.571 -23.899 -12.063 1.00 64.04 H new ATOM 0 HB2 HIS A 90 14.888 -23.495 -11.059 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.454 -25.160 -11.388 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.319 -22.441 -13.628 1.00 24.13 H new ATOM 0 HE1 HIS A 90 18.381 -26.141 -13.851 1.00 42.11 H new ATOM 0 HE2 HIS A 90 18.346 -23.725 -14.650 1.00 64.31 H new ATOM 1355 N ALA A 91 13.472 -21.427 -11.898 1.00 30.43 N ATOM 1356 CA ALA A 91 13.566 -19.980 -12.041 1.00 4.31 C ATOM 1357 C ALA A 91 14.836 -19.445 -11.388 1.00 13.54 C ATOM 1358 O ALA A 91 15.024 -19.575 -10.179 1.00 55.12 O ATOM 1359 CB ALA A 91 12.339 -19.310 -11.441 1.00 53.12 C ATOM 0 H ALA A 91 13.313 -21.747 -10.943 1.00 30.43 H new ATOM 0 HA ALA A 91 13.610 -19.747 -13.105 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.422 -18.229 -11.555 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.445 -19.661 -11.956 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.270 -19.559 -10.382 1.00 53.12 H new ATOM 1365 N GLU A 92 15.704 -18.845 -12.197 1.00 71.53 N ATOM 1366 CA GLU A 92 16.958 -18.293 -11.696 1.00 22.11 C ATOM 1367 C GLU A 92 16.980 -16.774 -11.846 1.00 21.04 C ATOM 1368 O GLU A 92 16.644 -16.237 -12.901 1.00 35.42 O ATOM 1369 CB GLU A 92 18.145 -18.907 -12.440 1.00 20.12 C ATOM 1370 CG GLU A 92 18.038 -20.413 -12.618 1.00 3.34 C ATOM 1371 CD GLU A 92 19.393 -21.084 -12.735 1.00 5.13 C ATOM 1372 OE1 GLU A 92 20.342 -20.624 -12.065 1.00 51.43 O ATOM 1373 OE2 GLU A 92 19.505 -22.067 -13.496 1.00 1.44 O1- ATOM 0 H GLU A 92 15.562 -18.729 -13.200 1.00 71.53 H new ATOM 0 HA GLU A 92 17.037 -18.539 -10.637 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.230 -18.439 -13.421 1.00 20.12 H new ATOM 0 HB3 GLU A 92 19.062 -18.678 -11.897 1.00 20.12 H new ATOM 0 HG2 GLU A 92 17.498 -20.838 -11.772 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.451 -20.629 -13.511 1.00 3.34 H new ATOM 1380 N VAL A 93 17.380 -16.087 -10.780 1.00 13.33 N ATOM 1381 CA VAL A 93 17.448 -14.631 -10.791 1.00 70.50 C ATOM 1382 C VAL A 93 18.750 -14.136 -10.173 1.00 3.53 C ATOM 1383 O VAL A 93 19.238 -14.699 -9.192 1.00 12.13 O ATOM 1384 CB VAL A 93 16.262 -14.007 -10.031 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.313 -12.489 -10.114 1.00 23.41 C ATOM 1386 CG2 VAL A 93 14.944 -14.535 -10.575 1.00 45.53 C ATOM 0 H VAL A 93 17.662 -16.516 -9.898 1.00 13.33 H new ATOM 0 HA VAL A 93 17.404 -14.321 -11.835 1.00 70.50 H new ATOM 0 HB VAL A 93 16.336 -14.292 -8.981 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.467 -12.066 -9.571 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.243 -12.131 -9.672 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.265 -12.180 -11.158 1.00 23.41 H new ATOM 0 HG21 VAL A 93 14.117 -14.084 -10.027 1.00 45.53 H new ATOM 0 HG22 VAL A 93 14.859 -14.282 -11.632 1.00 45.53 H new ATOM 0 HG23 VAL A 93 14.909 -15.618 -10.457 1.00 45.53 H new ATOM 1396 N VAL A 94 19.311 -13.080 -10.752 1.00 2.22 N ATOM 1397 CA VAL A 94 20.558 -12.508 -10.257 1.00 2.02 C ATOM 1398 C VAL A 94 20.321 -11.143 -9.620 1.00 12.31 C ATOM 1399 O VAL A 94 19.648 -10.286 -10.194 1.00 50.11 O ATOM 1400 CB VAL A 94 21.596 -12.363 -11.385 1.00 14.01 C ATOM 1401 CG1 VAL A 94 22.870 -11.720 -10.859 1.00 20.21 C ATOM 1402 CG2 VAL A 94 21.892 -13.715 -12.014 1.00 30.43 C ATOM 0 H VAL A 94 18.922 -12.603 -11.565 1.00 2.22 H new ATOM 0 HA VAL A 94 20.945 -13.195 -9.504 1.00 2.02 H new ATOM 0 HB VAL A 94 21.181 -11.713 -12.155 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.592 -11.626 -11.670 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.641 -10.732 -10.460 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.292 -12.341 -10.069 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.628 -13.593 -12.809 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.286 -14.391 -11.255 1.00 30.43 H new ATOM 0 HG23 VAL A 94 20.974 -14.132 -12.429 1.00 30.43 H new ATOM 1412 N PHE A 95 20.879 -10.946 -8.430 1.00 1.21 N ATOM 1413 CA PHE A 95 20.729 -9.685 -7.714 1.00 71.43 C ATOM 1414 C PHE A 95 22.091 -9.066 -7.411 1.00 71.25 C ATOM 1415 O PHE A 95 22.858 -9.589 -6.601 1.00 40.21 O ATOM 1416 CB PHE A 95 19.954 -9.902 -6.414 1.00 71.11 C ATOM 1417 CG PHE A 95 18.657 -10.634 -6.603 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.631 -12.017 -6.678 1.00 51.32 C ATOM 1419 CD2 PHE A 95 17.463 -9.939 -6.709 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.438 -12.694 -6.852 1.00 43.10 C ATOM 1421 CE2 PHE A 95 16.267 -10.610 -6.884 1.00 42.40 C ATOM 1422 CZ PHE A 95 16.255 -11.990 -6.956 1.00 23.11 C ATOM 0 H PHE A 95 21.439 -11.644 -7.941 1.00 1.21 H new ATOM 0 HA PHE A 95 20.171 -8.998 -8.351 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.579 -10.461 -5.717 1.00 71.11 H new ATOM 0 HB3 PHE A 95 19.752 -8.934 -5.955 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.554 -12.573 -6.600 1.00 51.32 H new ATOM 0 HD2 PHE A 95 17.467 -8.860 -6.654 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.432 -13.773 -6.907 1.00 43.10 H new ATOM 0 HE2 PHE A 95 15.343 -10.056 -6.964 1.00 42.40 H new ATOM 0 HZ PHE A 95 15.322 -12.517 -7.093 1.00 23.11 H new ATOM 1432 N THR A 96 22.386 -7.948 -8.068 1.00 53.44 N ATOM 1433 CA THR A 96 23.654 -7.258 -7.872 1.00 53.12 C ATOM 1434 C THR A 96 23.594 -6.331 -6.663 1.00 30.54 C ATOM 1435 O THR A 96 22.846 -5.355 -6.654 1.00 64.13 O ATOM 1436 CB THR A 96 24.046 -6.437 -9.115 1.00 32.55 C ATOM 1437 OG1 THR A 96 23.959 -7.254 -10.289 1.00 35.50 O ATOM 1438 CG2 THR A 96 25.457 -5.887 -8.977 1.00 22.52 C ATOM 0 H THR A 96 21.763 -7.501 -8.741 1.00 53.44 H new ATOM 0 HA THR A 96 24.408 -8.026 -7.701 1.00 53.12 H new ATOM 0 HB THR A 96 23.354 -5.600 -9.204 1.00 32.55 H new ATOM 0 HG1 THR A 96 24.208 -6.725 -11.075 1.00 35.50 H new ATOM 0 HG21 THR A 96 25.712 -5.311 -9.867 1.00 22.52 H new ATOM 0 HG22 THR A 96 25.512 -5.243 -8.099 1.00 22.52 H new ATOM 0 HG23 THR A 96 26.160 -6.713 -8.866 1.00 22.52 H new ATOM 1446 N ALA A 97 24.389 -6.643 -5.644 1.00 62.01 N ATOM 1447 CA ALA A 97 24.428 -5.837 -4.431 1.00 43.35 C ATOM 1448 C ALA A 97 25.703 -5.002 -4.367 1.00 12.42 C ATOM 1449 O ALA A 97 26.707 -5.338 -4.992 1.00 52.21 O ATOM 1450 CB ALA A 97 24.315 -6.726 -3.201 1.00 10.43 C ATOM 0 H ALA A 97 25.015 -7.449 -5.635 1.00 62.01 H new ATOM 0 HA ALA A 97 23.578 -5.155 -4.451 1.00 43.35 H new ATOM 0 HB1 ALA A 97 24.346 -6.110 -2.303 1.00 10.43 H new ATOM 0 HB2 ALA A 97 23.373 -7.274 -3.233 1.00 10.43 H new ATOM 0 HB3 ALA A 97 25.145 -7.432 -3.185 1.00 10.43 H new ATOM 1456 N ASN A 98 25.653 -3.913 -3.608 1.00 22.42 N ATOM 1457 CA ASN A 98 26.804 -3.029 -3.464 1.00 70.24 C ATOM 1458 C ASN A 98 26.812 -2.364 -2.091 1.00 0.21 C ATOM 1459 O ASN A 98 25.992 -2.685 -1.230 1.00 44.32 O ATOM 1460 CB ASN A 98 26.795 -1.962 -4.560 1.00 53.32 C ATOM 1461 CG ASN A 98 25.551 -1.097 -4.515 1.00 65.42 C ATOM 1462 OD1 ASN A 98 24.718 -1.235 -3.619 1.00 61.01 O ATOM 1463 ND2 ASN A 98 25.420 -0.198 -5.484 1.00 50.32 N ATOM 0 H ASN A 98 24.828 -3.621 -3.083 1.00 22.42 H new ATOM 0 HA ASN A 98 27.707 -3.632 -3.561 1.00 70.24 H new ATOM 0 HB2 ASN A 98 27.677 -1.330 -4.455 1.00 53.32 H new ATOM 0 HB3 ASN A 98 26.863 -2.446 -5.535 1.00 53.32 H new ATOM 0 HD21 ASN A 98 24.604 0.413 -5.506 1.00 50.32 H new ATOM 0 HD22 ASN A 98 26.136 -0.119 -6.206 1.00 50.32 H new ATOM 1470 N ASP A 99 27.741 -1.434 -1.895 1.00 15.12 N ATOM 1471 CA ASP A 99 27.853 -0.721 -0.628 1.00 4.24 C ATOM 1472 C ASP A 99 26.543 -0.024 -0.278 1.00 73.21 C ATOM 1473 O ASP A 99 26.244 1.053 -0.795 1.00 53.11 O ATOM 1474 CB ASP A 99 28.988 0.301 -0.693 1.00 62.12 C ATOM 1475 CG ASP A 99 30.352 -0.335 -0.508 1.00 13.14 C ATOM 1476 OD1 ASP A 99 30.432 -1.385 0.163 1.00 52.50 O1- ATOM 1477 OD2 ASP A 99 31.339 0.218 -1.038 1.00 55.13 O ATOM 0 H ASP A 99 28.427 -1.157 -2.597 1.00 15.12 H new ATOM 0 HA ASP A 99 28.074 -1.449 0.152 1.00 4.24 H new ATOM 0 HB2 ASP A 99 28.957 0.813 -1.655 1.00 62.12 H new ATOM 0 HB3 ASP A 99 28.836 1.058 0.077 1.00 62.12 H new ATOM 1482 N SER A 100 25.764 -0.646 0.602 1.00 64.11 N ATOM 1483 CA SER A 100 24.481 -0.087 1.016 1.00 51.44 C ATOM 1484 C SER A 100 24.413 0.045 2.535 1.00 2.13 C ATOM 1485 O SER A 100 24.509 1.143 3.079 1.00 24.13 O ATOM 1486 CB SER A 100 23.333 -0.965 0.517 1.00 72.33 C ATOM 1487 OG SER A 100 23.582 -2.334 0.788 1.00 61.25 O ATOM 0 H SER A 100 25.998 -1.536 1.042 1.00 64.11 H new ATOM 0 HA SER A 100 24.386 0.906 0.577 1.00 51.44 H new ATOM 0 HB2 SER A 100 22.403 -0.660 0.996 1.00 72.33 H new ATOM 0 HB3 SER A 100 23.201 -0.822 -0.555 1.00 72.33 H new ATOM 0 HG SER A 100 24.285 -2.663 0.190 1.00 61.25 H new ATOM 1493 N GLY A 101 24.244 -1.087 3.214 1.00 42.21 N ATOM 1494 CA GLY A 101 24.165 -1.077 4.663 1.00 53.22 C ATOM 1495 C GLY A 101 23.404 -2.269 5.209 1.00 10.13 C ATOM 1496 O GLY A 101 23.106 -3.224 4.493 1.00 41.01 O ATOM 0 H GLY A 101 24.161 -2.009 2.786 1.00 42.21 H new ATOM 0 HA2 GLY A 101 25.173 -1.071 5.079 1.00 53.22 H new ATOM 0 HA3 GLY A 101 23.679 -0.158 4.991 1.00 53.22 H new ATOM 1500 N PRO A 102 23.079 -2.222 6.510 1.00 72.31 N ATOM 1501 CA PRO A 102 22.345 -3.299 7.181 1.00 62.41 C ATOM 1502 C PRO A 102 20.893 -3.387 6.720 1.00 55.41 C ATOM 1503 O PRO A 102 20.181 -4.330 7.061 1.00 30.03 O ATOM 1504 CB PRO A 102 22.414 -2.908 8.660 1.00 3.05 C ATOM 1505 CG PRO A 102 22.590 -1.428 8.651 1.00 21.03 C ATOM 1506 CD PRO A 102 23.401 -1.114 7.424 1.00 22.35 C ATOM 0 HA PRO A 102 22.771 -4.279 6.965 1.00 62.41 H new ATOM 0 HB2 PRO A 102 21.505 -3.196 9.189 1.00 3.05 H new ATOM 0 HB3 PRO A 102 23.245 -3.403 9.162 1.00 3.05 H new ATOM 0 HG2 PRO A 102 21.626 -0.921 8.622 1.00 21.03 H new ATOM 0 HG3 PRO A 102 23.100 -1.090 9.553 1.00 21.03 H new ATOM 0 HD2 PRO A 102 23.127 -0.149 6.998 1.00 22.35 H new ATOM 0 HD3 PRO A 102 24.467 -1.073 7.647 1.00 22.35 H new ATOM 1514 N ARG A 103 20.463 -2.398 5.945 1.00 52.42 N ATOM 1515 CA ARG A 103 19.097 -2.363 5.438 1.00 64.24 C ATOM 1516 C ARG A 103 18.736 -3.681 4.757 1.00 1.20 C ATOM 1517 O ARG A 103 19.542 -4.251 4.021 1.00 43.01 O ATOM 1518 CB ARG A 103 18.923 -1.204 4.454 1.00 21.14 C ATOM 1519 CG ARG A 103 19.142 0.163 5.080 1.00 71.15 C ATOM 1520 CD ARG A 103 17.941 0.597 5.905 1.00 40.02 C ATOM 1521 NE ARG A 103 17.991 0.069 7.266 1.00 23.44 N ATOM 1522 CZ ARG A 103 18.712 0.615 8.239 1.00 72.30 C ATOM 1523 NH1 ARG A 103 19.438 1.698 8.004 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 18.706 0.075 9.452 1.00 23.55 N ATOM 0 H ARG A 103 21.041 -1.610 5.654 1.00 52.42 H new ATOM 0 HA ARG A 103 18.426 -2.215 6.284 1.00 64.24 H new ATOM 0 HB2 ARG A 103 19.622 -1.332 3.627 1.00 21.14 H new ATOM 0 HB3 ARG A 103 17.919 -1.244 4.032 1.00 21.14 H new ATOM 0 HG2 ARG A 103 20.029 0.137 5.713 1.00 71.15 H new ATOM 0 HG3 ARG A 103 19.331 0.897 4.297 1.00 71.15 H new ATOM 0 HD2 ARG A 103 17.900 1.686 5.940 1.00 40.02 H new ATOM 0 HD3 ARG A 103 17.026 0.259 5.419 1.00 40.02 H new ATOM 0 HE ARG A 103 17.443 -0.764 7.481 1.00 23.44 H new ATOM 0 HH11 ARG A 103 19.445 2.115 7.073 1.00 12.31 H new ATOM 0 HH12 ARG A 103 19.990 2.114 8.754 1.00 12.31 H new ATOM 0 HH21 ARG A 103 18.148 -0.759 9.636 1.00 23.55 H new ATOM 0 HH22 ARG A 103 19.259 0.494 10.199 1.00 23.55 H new ATOM 1538 N ARG A 104 17.521 -4.158 5.010 1.00 42.23 N ATOM 1539 CA ARG A 104 17.055 -5.409 4.422 1.00 3.34 C ATOM 1540 C ARG A 104 15.958 -5.150 3.394 1.00 11.24 C ATOM 1541 O ARG A 104 15.308 -4.104 3.413 1.00 3.33 O ATOM 1542 CB ARG A 104 16.537 -6.347 5.514 1.00 1.21 C ATOM 1543 CG ARG A 104 15.338 -5.799 6.269 1.00 52.32 C ATOM 1544 CD ARG A 104 15.764 -5.036 7.514 1.00 23.35 C ATOM 1545 NE ARG A 104 15.893 -5.912 8.675 1.00 23.43 N ATOM 1546 CZ ARG A 104 16.364 -5.510 9.851 1.00 61.22 C ATOM 1547 NH1 ARG A 104 16.747 -4.252 10.020 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 16.451 -6.367 10.860 1.00 61.40 N ATOM 0 H ARG A 104 16.843 -3.698 5.617 1.00 42.23 H new ATOM 0 HA ARG A 104 17.897 -5.882 3.917 1.00 3.34 H new ATOM 0 HB2 ARG A 104 16.266 -7.302 5.063 1.00 1.21 H new ATOM 0 HB3 ARG A 104 17.342 -6.546 6.222 1.00 1.21 H new ATOM 0 HG2 ARG A 104 14.765 -5.141 5.616 1.00 52.32 H new ATOM 0 HG3 ARG A 104 14.679 -6.620 6.552 1.00 52.32 H new ATOM 0 HD2 ARG A 104 16.716 -4.540 7.327 1.00 23.35 H new ATOM 0 HD3 ARG A 104 15.034 -4.255 7.728 1.00 23.35 H new ATOM 0 HE ARG A 104 15.606 -6.886 8.578 1.00 23.43 H new ATOM 0 HH11 ARG A 104 16.680 -3.590 9.247 1.00 21.23 H new ATOM 0 HH12 ARG A 104 17.108 -3.946 10.923 1.00 21.23 H new ATOM 0 HH21 ARG A 104 16.156 -7.335 10.734 1.00 61.40 H new ATOM 0 HH22 ARG A 104 16.813 -6.058 11.762 1.00 61.40 H new ATOM 1562 N TYR A 105 15.755 -6.110 2.499 1.00 64.52 N ATOM 1563 CA TYR A 105 14.739 -5.986 1.462 1.00 43.23 C ATOM 1564 C TYR A 105 14.167 -7.351 1.092 1.00 12.34 C ATOM 1565 O TYR A 105 14.857 -8.369 1.169 1.00 73.32 O ATOM 1566 CB TYR A 105 15.326 -5.315 0.219 1.00 4.01 C ATOM 1567 CG TYR A 105 16.692 -5.838 -0.164 1.00 12.10 C ATOM 1568 CD1 TYR A 105 17.843 -5.331 0.426 1.00 71.31 C ATOM 1569 CD2 TYR A 105 16.832 -6.841 -1.115 1.00 32.04 C ATOM 1570 CE1 TYR A 105 19.093 -5.806 0.079 1.00 24.24 C ATOM 1571 CE2 TYR A 105 18.077 -7.324 -1.467 1.00 72.42 C ATOM 1572 CZ TYR A 105 19.205 -6.802 -0.867 1.00 22.41 C ATOM 1573 OH TYR A 105 20.447 -7.280 -1.216 1.00 41.31 O ATOM 0 H TYR A 105 16.281 -6.983 2.471 1.00 64.52 H new ATOM 0 HA TYR A 105 13.932 -5.367 1.855 1.00 43.23 H new ATOM 0 HB2 TYR A 105 14.643 -5.460 -0.618 1.00 4.01 H new ATOM 0 HB3 TYR A 105 15.393 -4.241 0.394 1.00 4.01 H new ATOM 0 HD1 TYR A 105 17.759 -4.552 1.169 1.00 71.31 H new ATOM 0 HD2 TYR A 105 15.951 -7.250 -1.588 1.00 32.04 H new ATOM 0 HE1 TYR A 105 19.978 -5.399 0.546 1.00 24.24 H new ATOM 0 HE2 TYR A 105 18.167 -8.105 -2.207 1.00 72.42 H new ATOM 0 HH TYR A 105 20.349 -7.980 -1.895 1.00 41.31 H new ATOM 1583 N THR A 106 12.899 -7.367 0.690 1.00 61.33 N ATOM 1584 CA THR A 106 12.233 -8.606 0.309 1.00 12.11 C ATOM 1585 C THR A 106 11.999 -8.663 -1.195 1.00 32.31 C ATOM 1586 O THR A 106 11.728 -7.644 -1.830 1.00 11.53 O ATOM 1587 CB THR A 106 10.883 -8.763 1.035 1.00 42.34 C ATOM 1588 OG1 THR A 106 11.089 -8.801 2.451 1.00 34.34 O ATOM 1589 CG2 THR A 106 10.173 -10.031 0.586 1.00 20.22 C ATOM 0 H THR A 106 12.313 -6.535 0.620 1.00 61.33 H new ATOM 0 HA THR A 106 12.892 -9.424 0.602 1.00 12.11 H new ATOM 0 HB THR A 106 10.258 -7.906 0.783 1.00 42.34 H new ATOM 0 HG1 THR A 106 10.226 -8.899 2.905 1.00 34.34 H new ATOM 0 HG21 THR A 106 9.222 -10.121 1.112 1.00 20.22 H new ATOM 0 HG22 THR A 106 9.991 -9.985 -0.488 1.00 20.22 H new ATOM 0 HG23 THR A 106 10.796 -10.896 0.812 1.00 20.22 H new ATOM 1597 N ILE A 107 12.104 -9.862 -1.760 1.00 71.42 N ATOM 1598 CA ILE A 107 11.902 -10.051 -3.191 1.00 74.04 C ATOM 1599 C ILE A 107 10.637 -10.858 -3.465 1.00 33.14 C ATOM 1600 O ILE A 107 10.505 -11.995 -3.016 1.00 43.14 O ATOM 1601 CB ILE A 107 13.102 -10.765 -3.840 1.00 63.22 C ATOM 1602 CG1 ILE A 107 14.404 -10.039 -3.493 1.00 62.44 C ATOM 1603 CG2 ILE A 107 12.919 -10.845 -5.348 1.00 32.41 C ATOM 1604 CD1 ILE A 107 14.433 -8.599 -3.954 1.00 2.32 C ATOM 0 H ILE A 107 12.328 -10.716 -1.249 1.00 71.42 H new ATOM 0 HA ILE A 107 11.800 -9.058 -3.629 1.00 74.04 H new ATOM 0 HB ILE A 107 13.158 -11.780 -3.447 1.00 63.22 H new ATOM 0 HG12 ILE A 107 14.551 -10.070 -2.413 1.00 62.44 H new ATOM 0 HG13 ILE A 107 15.240 -10.574 -3.944 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.775 -11.352 -5.792 1.00 32.41 H new ATOM 0 HG22 ILE A 107 12.010 -11.402 -5.575 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.840 -9.838 -5.759 1.00 32.41 H new ATOM 0 HD11 ILE A 107 15.385 -8.147 -3.675 1.00 2.32 H new ATOM 0 HD12 ILE A 107 14.317 -8.561 -5.037 1.00 2.32 H new ATOM 0 HD13 ILE A 107 13.618 -8.050 -3.483 1.00 2.32 H new ATOM 1616 N ALA A 108 9.709 -10.260 -4.205 1.00 44.40 N ATOM 1617 CA ALA A 108 8.456 -10.923 -4.543 1.00 61.41 C ATOM 1618 C ALA A 108 8.537 -11.585 -5.914 1.00 62.14 C ATOM 1619 O ALA A 108 8.872 -10.939 -6.907 1.00 70.45 O ATOM 1620 CB ALA A 108 7.305 -9.929 -4.501 1.00 74.04 C ATOM 0 H ALA A 108 9.802 -9.317 -4.582 1.00 44.40 H new ATOM 0 HA ALA A 108 8.275 -11.703 -3.803 1.00 61.41 H new ATOM 0 HB1 ALA A 108 6.375 -10.438 -4.756 1.00 74.04 H new ATOM 0 HB2 ALA A 108 7.225 -9.507 -3.499 1.00 74.04 H new ATOM 0 HB3 ALA A 108 7.489 -9.129 -5.218 1.00 74.04 H new ATOM 1626 N ALA A 109 8.228 -12.876 -5.963 1.00 63.14 N ATOM 1627 CA ALA A 109 8.265 -13.625 -7.213 1.00 74.21 C ATOM 1628 C ALA A 109 6.995 -14.450 -7.396 1.00 35.54 C ATOM 1629 O ALA A 109 6.528 -15.103 -6.464 1.00 62.10 O ATOM 1630 CB ALA A 109 9.492 -14.523 -7.254 1.00 25.13 C ATOM 0 H ALA A 109 7.949 -13.426 -5.151 1.00 63.14 H new ATOM 0 HA ALA A 109 8.324 -12.911 -8.035 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.507 -15.076 -8.193 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.392 -13.913 -7.178 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.458 -15.224 -6.420 1.00 25.13 H new ATOM 1636 N MET A 110 6.442 -14.415 -8.604 1.00 70.32 N ATOM 1637 CA MET A 110 5.226 -15.162 -8.909 1.00 45.12 C ATOM 1638 C MET A 110 5.509 -16.271 -9.916 1.00 15.33 C ATOM 1639 O MET A 110 6.269 -16.084 -10.866 1.00 41.41 O ATOM 1640 CB MET A 110 4.149 -14.222 -9.455 1.00 74.03 C ATOM 1641 CG MET A 110 3.387 -13.476 -8.372 1.00 13.10 C ATOM 1642 SD MET A 110 1.628 -13.328 -8.738 1.00 31.04 S ATOM 1643 CE MET A 110 0.921 -14.280 -7.395 1.00 0.14 C ATOM 0 H MET A 110 6.815 -13.878 -9.387 1.00 70.32 H new ATOM 0 HA MET A 110 4.866 -15.617 -7.986 1.00 45.12 H new ATOM 0 HB2 MET A 110 4.615 -13.498 -10.124 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.443 -14.799 -10.052 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.514 -13.994 -7.421 1.00 13.10 H new ATOM 0 HG3 MET A 110 3.814 -12.480 -8.252 1.00 13.10 H new ATOM 0 HE1 MET A 110 -0.126 -14.493 -7.612 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.467 -15.217 -7.286 1.00 0.14 H new ATOM 0 HE3 MET A 110 0.991 -13.710 -6.469 1.00 0.14 H new ATOM 1653 N LEU A 111 4.891 -17.428 -9.703 1.00 31.10 N ATOM 1654 CA LEU A 111 5.076 -18.570 -10.593 1.00 3.04 C ATOM 1655 C LEU A 111 3.918 -18.685 -11.578 1.00 63.32 C ATOM 1656 O LEU A 111 2.756 -18.773 -11.180 1.00 10.01 O ATOM 1657 CB LEU A 111 5.198 -19.860 -9.780 1.00 34.42 C ATOM 1658 CG LEU A 111 6.620 -20.326 -9.470 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.484 -19.152 -9.035 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.607 -21.406 -8.397 1.00 11.55 C ATOM 0 H LEU A 111 4.258 -17.600 -8.922 1.00 31.10 H new ATOM 0 HA LEU A 111 5.995 -18.415 -11.157 1.00 3.04 H new ATOM 0 HB2 LEU A 111 4.668 -19.723 -8.837 1.00 34.42 H new ATOM 0 HB3 LEU A 111 4.686 -20.656 -10.320 1.00 34.42 H new ATOM 0 HG LEU A 111 7.048 -20.750 -10.379 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.493 -19.503 -8.819 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.521 -18.412 -9.834 1.00 40.44 H new ATOM 0 HD13 LEU A 111 7.058 -18.699 -8.140 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.628 -21.725 -8.190 1.00 11.55 H new ATOM 0 HD22 LEU A 111 6.159 -21.009 -7.486 1.00 11.55 H new ATOM 0 HD23 LEU A 111 6.024 -22.258 -8.746 1.00 11.55 H new ATOM 1672 N SER A 112 4.243 -18.684 -12.868 1.00 73.51 N ATOM 1673 CA SER A 112 3.230 -18.786 -13.911 1.00 51.32 C ATOM 1674 C SER A 112 3.817 -19.397 -15.181 1.00 24.21 C ATOM 1675 O SER A 112 4.400 -18.709 -16.019 1.00 14.52 O ATOM 1676 CB SER A 112 2.644 -17.406 -14.220 1.00 2.41 C ATOM 1677 OG SER A 112 3.488 -16.375 -13.739 1.00 5.42 O ATOM 0 H SER A 112 5.200 -18.614 -13.215 1.00 73.51 H new ATOM 0 HA SER A 112 2.435 -19.438 -13.548 1.00 51.32 H new ATOM 0 HB2 SER A 112 2.509 -17.297 -15.296 1.00 2.41 H new ATOM 0 HB3 SER A 112 1.658 -17.316 -13.764 1.00 2.41 H new ATOM 0 HG SER A 112 3.383 -15.578 -14.300 1.00 5.42 H new ATOM 1683 N PRO A 113 3.660 -20.721 -15.325 1.00 54.43 N ATOM 1684 CA PRO A 113 4.167 -21.455 -16.489 1.00 23.13 C ATOM 1685 C PRO A 113 3.396 -21.125 -17.763 1.00 42.52 C ATOM 1686 O PRO A 113 3.982 -21.008 -18.840 1.00 32.13 O ATOM 1687 CB PRO A 113 3.957 -22.921 -16.101 1.00 11.42 C ATOM 1688 CG PRO A 113 2.837 -22.897 -15.119 1.00 14.31 C ATOM 1689 CD PRO A 113 2.976 -21.603 -14.366 1.00 11.21 C ATOM 0 HA PRO A 113 5.204 -21.202 -16.711 1.00 23.13 H new ATOM 0 HB2 PRO A 113 3.708 -23.529 -16.971 1.00 11.42 H new ATOM 0 HB3 PRO A 113 4.859 -23.347 -15.662 1.00 11.42 H new ATOM 0 HG2 PRO A 113 1.873 -22.953 -15.625 1.00 14.31 H new ATOM 0 HG3 PRO A 113 2.892 -23.750 -14.443 1.00 14.31 H new ATOM 0 HD2 PRO A 113 2.005 -21.202 -14.073 1.00 11.21 H new ATOM 0 HD3 PRO A 113 3.557 -21.730 -13.452 1.00 11.21 H new ATOM 1697 N TYR A 114 2.084 -20.976 -17.632 1.00 23.21 N ATOM 1698 CA TYR A 114 1.233 -20.661 -18.774 1.00 4.41 C ATOM 1699 C TYR A 114 1.252 -19.165 -19.072 1.00 5.12 C ATOM 1700 O TYR A 114 1.559 -18.747 -20.190 1.00 62.34 O ATOM 1701 CB TYR A 114 -0.202 -21.121 -18.511 1.00 10.22 C ATOM 1702 CG TYR A 114 -0.295 -22.519 -17.943 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.159 -23.634 -18.763 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -0.519 -22.727 -16.588 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -0.244 -24.913 -18.249 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -0.604 -24.003 -16.066 1.00 70.43 C ATOM 1707 CZ TYR A 114 -0.466 -25.092 -16.899 1.00 23.21 C ATOM 1708 OH TYR A 114 -0.551 -26.365 -16.383 1.00 44.10 O ATOM 0 H TYR A 114 1.585 -21.068 -16.747 1.00 23.21 H new ATOM 0 HA TYR A 114 1.624 -21.191 -19.642 1.00 4.41 H new ATOM 0 HB2 TYR A 114 -0.677 -20.425 -17.820 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -0.765 -21.078 -19.443 1.00 10.22 H new ATOM 0 HD1 TYR A 114 0.016 -23.497 -19.820 1.00 54.30 H new ATOM 0 HD2 TYR A 114 -0.629 -21.877 -15.931 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -0.137 -25.768 -18.900 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -0.778 -24.147 -15.010 1.00 70.43 H new ATOM 0 HH TYR A 114 -0.709 -26.317 -15.417 1.00 44.10 H new ATOM 1718 N SER A 115 0.925 -18.364 -18.065 1.00 54.30 N ATOM 1719 CA SER A 115 0.901 -16.914 -18.218 1.00 50.32 C ATOM 1720 C SER A 115 2.302 -16.328 -18.062 1.00 24.11 C ATOM 1721 O SER A 115 3.272 -17.056 -17.853 1.00 43.12 O ATOM 1722 CB SER A 115 -0.043 -16.286 -17.191 1.00 73.32 C ATOM 1723 OG SER A 115 -0.399 -14.966 -17.565 1.00 23.24 O ATOM 0 H SER A 115 0.673 -18.694 -17.133 1.00 54.30 H new ATOM 0 HA SER A 115 0.539 -16.686 -19.221 1.00 50.32 H new ATOM 0 HB2 SER A 115 -0.942 -16.896 -17.098 1.00 73.32 H new ATOM 0 HB3 SER A 115 0.436 -16.273 -16.212 1.00 73.32 H new ATOM 0 HG SER A 115 -1.004 -14.588 -16.893 1.00 23.24 H new ATOM 1729 N TYR A 116 2.399 -15.008 -18.163 1.00 51.11 N ATOM 1730 CA TYR A 116 3.680 -14.322 -18.036 1.00 44.22 C ATOM 1731 C TYR A 116 4.158 -14.327 -16.587 1.00 31.31 C ATOM 1732 O TYR A 116 3.369 -14.138 -15.661 1.00 23.43 O ATOM 1733 CB TYR A 116 3.565 -12.884 -18.543 1.00 65.40 C ATOM 1734 CG TYR A 116 2.800 -11.972 -17.610 1.00 71.35 C ATOM 1735 CD1 TYR A 116 1.412 -11.978 -17.583 1.00 11.14 C ATOM 1736 CD2 TYR A 116 3.468 -11.104 -16.755 1.00 61.42 C ATOM 1737 CE1 TYR A 116 0.709 -11.147 -16.733 1.00 2.33 C ATOM 1738 CE2 TYR A 116 2.774 -10.269 -15.900 1.00 43.15 C ATOM 1739 CZ TYR A 116 1.395 -10.294 -15.893 1.00 73.22 C ATOM 1740 OH TYR A 116 0.699 -9.464 -15.044 1.00 0.32 O ATOM 0 H TYR A 116 1.605 -14.390 -18.333 1.00 51.11 H new ATOM 0 HA TYR A 116 4.412 -14.856 -18.643 1.00 44.22 H new ATOM 0 HB2 TYR A 116 4.566 -12.479 -18.693 1.00 65.40 H new ATOM 0 HB3 TYR A 116 3.074 -12.889 -19.516 1.00 65.40 H new ATOM 0 HD1 TYR A 116 0.872 -12.645 -18.239 1.00 11.14 H new ATOM 0 HD2 TYR A 116 4.548 -11.081 -16.759 1.00 61.42 H new ATOM 0 HE1 TYR A 116 -0.371 -11.165 -16.726 1.00 2.33 H new ATOM 0 HE2 TYR A 116 3.308 -9.601 -15.241 1.00 43.15 H new ATOM 0 HH TYR A 116 1.330 -8.928 -14.520 1.00 0.32 H new ATOM 1750 N SER A 117 5.456 -14.541 -16.399 1.00 62.40 N ATOM 1751 CA SER A 117 6.040 -14.574 -15.065 1.00 41.11 C ATOM 1752 C SER A 117 6.077 -13.176 -14.454 1.00 1.43 C ATOM 1753 O SER A 117 5.621 -12.207 -15.062 1.00 74.14 O ATOM 1754 CB SER A 117 7.454 -15.157 -15.118 1.00 43.31 C ATOM 1755 OG SER A 117 8.350 -14.264 -15.758 1.00 60.44 O ATOM 0 H SER A 117 6.123 -14.694 -17.155 1.00 62.40 H new ATOM 0 HA SER A 117 5.416 -15.210 -14.438 1.00 41.11 H new ATOM 0 HB2 SER A 117 7.803 -15.365 -14.107 1.00 43.31 H new ATOM 0 HB3 SER A 117 7.439 -16.107 -15.652 1.00 43.31 H new ATOM 0 HG SER A 117 9.247 -14.659 -15.778 1.00 60.44 H new ATOM 1761 N THR A 118 6.624 -13.079 -13.245 1.00 44.23 N ATOM 1762 CA THR A 118 6.719 -11.801 -12.551 1.00 62.12 C ATOM 1763 C THR A 118 7.788 -11.845 -11.464 1.00 51.22 C ATOM 1764 O THR A 118 7.816 -12.764 -10.645 1.00 52.03 O ATOM 1765 CB THR A 118 5.373 -11.405 -11.915 1.00 41.11 C ATOM 1766 OG1 THR A 118 4.296 -12.041 -12.613 1.00 53.34 O ATOM 1767 CG2 THR A 118 5.183 -9.896 -11.946 1.00 30.23 C ATOM 0 H THR A 118 7.007 -13.870 -12.727 1.00 44.23 H new ATOM 0 HA THR A 118 6.993 -11.055 -13.297 1.00 62.12 H new ATOM 0 HB THR A 118 5.376 -11.733 -10.876 1.00 41.11 H new ATOM 0 HG1 THR A 118 3.444 -11.786 -12.202 1.00 53.34 H new ATOM 0 HG21 THR A 118 4.226 -9.640 -11.492 1.00 30.23 H new ATOM 0 HG22 THR A 118 5.988 -9.416 -11.390 1.00 30.23 H new ATOM 0 HG23 THR A 118 5.199 -9.548 -12.979 1.00 30.23 H new ATOM 1775 N MET A 119 8.664 -10.847 -11.462 1.00 51.10 N ATOM 1776 CA MET A 119 9.734 -10.771 -10.474 1.00 43.42 C ATOM 1777 C MET A 119 9.978 -9.328 -10.046 1.00 2.14 C ATOM 1778 O MET A 119 10.373 -8.489 -10.856 1.00 61.44 O ATOM 1779 CB MET A 119 11.023 -11.374 -11.038 1.00 20.41 C ATOM 1780 CG MET A 119 12.026 -11.773 -9.969 1.00 61.24 C ATOM 1781 SD MET A 119 11.864 -13.498 -9.473 1.00 43.35 S ATOM 1782 CE MET A 119 13.070 -13.587 -8.152 1.00 1.53 C ATOM 0 H MET A 119 8.655 -10.079 -12.133 1.00 51.10 H new ATOM 0 HA MET A 119 9.427 -11.343 -9.599 1.00 43.42 H new ATOM 0 HB2 MET A 119 10.773 -12.251 -11.635 1.00 20.41 H new ATOM 0 HB3 MET A 119 11.488 -10.653 -11.710 1.00 20.41 H new ATOM 0 HG2 MET A 119 13.036 -11.599 -10.341 1.00 61.24 H new ATOM 0 HG3 MET A 119 11.894 -11.134 -9.096 1.00 61.24 H new ATOM 0 HE1 MET A 119 13.518 -14.580 -8.135 1.00 1.53 H new ATOM 0 HE2 MET A 119 13.847 -12.841 -8.318 1.00 1.53 H new ATOM 0 HE3 MET A 119 12.579 -13.394 -7.198 1.00 1.53 H new ATOM 1792 N ALA A 120 9.739 -9.045 -8.769 1.00 51.45 N ATOM 1793 CA ALA A 120 9.935 -7.704 -8.235 1.00 71.34 C ATOM 1794 C ALA A 120 11.236 -7.613 -7.443 1.00 72.32 C ATOM 1795 O ALA A 120 11.375 -8.228 -6.386 1.00 32.22 O ATOM 1796 CB ALA A 120 8.755 -7.306 -7.361 1.00 12.35 C ATOM 0 H ALA A 120 9.409 -9.727 -8.086 1.00 51.45 H new ATOM 0 HA ALA A 120 10.001 -7.012 -9.074 1.00 71.34 H new ATOM 0 HB1 ALA A 120 8.915 -6.302 -6.969 1.00 12.35 H new ATOM 0 HB2 ALA A 120 7.841 -7.322 -7.954 1.00 12.35 H new ATOM 0 HB3 ALA A 120 8.662 -8.008 -6.533 1.00 12.35 H new ATOM 1802 N VAL A 121 12.186 -6.841 -7.962 1.00 53.02 N ATOM 1803 CA VAL A 121 13.476 -6.669 -7.304 1.00 21.22 C ATOM 1804 C VAL A 121 13.528 -5.354 -6.533 1.00 45.24 C ATOM 1805 O VAL A 121 12.939 -4.356 -6.947 1.00 55.42 O ATOM 1806 CB VAL A 121 14.634 -6.703 -8.318 1.00 74.22 C ATOM 1807 CG1 VAL A 121 15.971 -6.577 -7.607 1.00 73.31 C ATOM 1808 CG2 VAL A 121 14.578 -7.979 -9.145 1.00 33.42 C ATOM 0 H VAL A 121 12.086 -6.325 -8.836 1.00 53.02 H new ATOM 0 HA VAL A 121 13.589 -7.500 -6.608 1.00 21.22 H new ATOM 0 HB VAL A 121 14.529 -5.854 -8.993 1.00 74.22 H new ATOM 0 HG11 VAL A 121 16.777 -6.603 -8.340 1.00 73.31 H new ATOM 0 HG12 VAL A 121 16.006 -5.633 -7.063 1.00 73.31 H new ATOM 0 HG13 VAL A 121 16.090 -7.404 -6.907 1.00 73.31 H new ATOM 0 HG21 VAL A 121 15.403 -7.988 -9.857 1.00 33.42 H new ATOM 0 HG22 VAL A 121 14.658 -8.844 -8.486 1.00 33.42 H new ATOM 0 HG23 VAL A 121 13.632 -8.021 -9.685 1.00 33.42 H new ATOM 1818 N VAL A 122 14.239 -5.360 -5.410 1.00 24.04 N ATOM 1819 CA VAL A 122 14.371 -4.168 -4.582 1.00 52.24 C ATOM 1820 C VAL A 122 15.836 -3.844 -4.313 1.00 2.02 C ATOM 1821 O VAL A 122 16.532 -4.590 -3.623 1.00 64.54 O ATOM 1822 CB VAL A 122 13.638 -4.334 -3.238 1.00 41.24 C ATOM 1823 CG1 VAL A 122 13.644 -3.026 -2.461 1.00 71.54 C ATOM 1824 CG2 VAL A 122 12.216 -4.822 -3.463 1.00 53.13 C ATOM 0 H VAL A 122 14.733 -6.178 -5.053 1.00 24.04 H new ATOM 0 HA VAL A 122 13.917 -3.347 -5.136 1.00 52.24 H new ATOM 0 HB VAL A 122 14.166 -5.083 -2.647 1.00 41.24 H new ATOM 0 HG11 VAL A 122 13.122 -3.163 -1.514 1.00 71.54 H new ATOM 0 HG12 VAL A 122 14.673 -2.723 -2.267 1.00 71.54 H new ATOM 0 HG13 VAL A 122 13.142 -2.254 -3.044 1.00 71.54 H new ATOM 0 HG21 VAL A 122 11.713 -4.934 -2.502 1.00 53.13 H new ATOM 0 HG22 VAL A 122 11.675 -4.099 -4.074 1.00 53.13 H new ATOM 0 HG23 VAL A 122 12.238 -5.784 -3.975 1.00 53.13 H new ATOM 1834 N THR A 123 16.301 -2.727 -4.863 1.00 65.41 N ATOM 1835 CA THR A 123 17.684 -2.304 -4.683 1.00 45.23 C ATOM 1836 C THR A 123 17.759 -0.882 -4.142 1.00 73.22 C ATOM 1837 O THR A 123 17.193 0.044 -4.722 1.00 50.41 O ATOM 1838 CB THR A 123 18.471 -2.379 -6.006 1.00 11.34 C ATOM 1839 OG1 THR A 123 19.743 -1.739 -5.856 1.00 23.43 O ATOM 1840 CG2 THR A 123 17.694 -1.719 -7.135 1.00 1.51 C ATOM 0 H THR A 123 15.739 -2.098 -5.437 1.00 65.41 H new ATOM 0 HA THR A 123 18.132 -2.988 -3.962 1.00 45.23 H new ATOM 0 HB THR A 123 18.621 -3.429 -6.256 1.00 11.34 H new ATOM 0 HG1 THR A 123 20.238 -1.792 -6.700 1.00 23.43 H new ATOM 0 HG21 THR A 123 18.269 -1.784 -8.059 1.00 1.51 H new ATOM 0 HG22 THR A 123 16.739 -2.228 -7.265 1.00 1.51 H new ATOM 0 HG23 THR A 123 17.517 -0.672 -6.891 1.00 1.51 H new ATOM 1848 N ASN A 124 18.460 -0.715 -3.026 1.00 2.14 N ATOM 1849 CA ASN A 124 18.608 0.597 -2.404 1.00 14.35 C ATOM 1850 C ASN A 124 19.092 1.628 -3.421 1.00 21.24 C ATOM 1851 O ASN A 124 19.672 1.293 -4.454 1.00 34.35 O ATOM 1852 CB ASN A 124 19.589 0.522 -1.233 1.00 43.11 C ATOM 1853 CG ASN A 124 20.768 -0.388 -1.522 1.00 33.41 C ATOM 1854 OD1 ASN A 124 21.768 0.039 -2.098 1.00 65.11 O ATOM 1855 ND2 ASN A 124 20.653 -1.649 -1.122 1.00 53.22 N ATOM 0 H ASN A 124 18.935 -1.471 -2.533 1.00 2.14 H new ATOM 0 HA ASN A 124 17.632 0.908 -2.032 1.00 14.35 H new ATOM 0 HB2 ASN A 124 19.954 1.523 -1.004 1.00 43.11 H new ATOM 0 HB3 ASN A 124 19.066 0.163 -0.347 1.00 43.11 H new ATOM 0 HD21 ASN A 124 21.413 -2.308 -1.289 1.00 53.22 H new ATOM 0 HD22 ASN A 124 19.805 -1.958 -0.648 1.00 53.22 H new ATOM 1862 N PRO A 125 18.847 2.912 -3.121 1.00 1.24 N ATOM 1863 CA PRO A 125 19.250 4.019 -3.995 1.00 4.12 C ATOM 1864 C PRO A 125 20.762 4.211 -4.028 1.00 22.32 C ATOM 1865 O PRO A 125 21.319 4.975 -3.237 1.00 40.34 O ATOM 1866 CB PRO A 125 18.569 5.235 -3.363 1.00 23.43 C ATOM 1867 CG PRO A 125 18.394 4.869 -1.929 1.00 21.31 C ATOM 1868 CD PRO A 125 18.161 3.384 -1.907 1.00 10.43 C ATOM 0 HA PRO A 125 18.964 3.845 -5.032 1.00 4.12 H new ATOM 0 HB2 PRO A 125 19.180 6.131 -3.471 1.00 23.43 H new ATOM 0 HB3 PRO A 125 17.610 5.443 -3.838 1.00 23.43 H new ATOM 0 HG2 PRO A 125 19.277 5.134 -1.348 1.00 21.31 H new ATOM 0 HG3 PRO A 125 17.551 5.403 -1.490 1.00 21.31 H new ATOM 0 HD2 PRO A 125 18.574 2.926 -1.008 1.00 10.43 H new ATOM 0 HD3 PRO A 125 17.098 3.144 -1.927 1.00 10.43 H new ATOM 1876 N LYS A 126 21.423 3.515 -4.947 1.00 1.50 N ATOM 1877 CA LYS A 126 22.872 3.611 -5.084 1.00 65.42 C ATOM 1878 C LYS A 126 23.312 5.066 -5.208 1.00 33.33 C ATOM 1879 O LYS A 126 24.420 5.424 -4.808 1.00 12.21 O ATOM 1880 CB LYS A 126 23.341 2.819 -6.306 1.00 4.33 C ATOM 1881 CG LYS A 126 23.037 3.504 -7.627 1.00 21.32 C ATOM 1882 CD LYS A 126 21.553 3.462 -7.949 1.00 73.25 C ATOM 1883 CE LYS A 126 21.282 3.877 -9.387 1.00 21.43 C ATOM 1884 NZ LYS A 126 21.674 2.814 -10.354 1.00 72.12 N1+ ATOM 0 H LYS A 126 20.978 2.878 -5.608 1.00 1.50 H new ATOM 0 HA LYS A 126 23.326 3.189 -4.188 1.00 65.42 H new ATOM 0 HB2 LYS A 126 24.416 2.654 -6.231 1.00 4.33 H new ATOM 0 HB3 LYS A 126 22.866 1.838 -6.297 1.00 4.33 H new ATOM 0 HG2 LYS A 126 23.372 4.540 -7.586 1.00 21.32 H new ATOM 0 HG3 LYS A 126 23.597 3.019 -8.426 1.00 21.32 H new ATOM 0 HD2 LYS A 126 21.172 2.455 -7.782 1.00 73.25 H new ATOM 0 HD3 LYS A 126 21.014 4.123 -7.271 1.00 73.25 H new ATOM 0 HE2 LYS A 126 20.222 4.104 -9.506 1.00 21.43 H new ATOM 0 HE3 LYS A 126 21.831 4.792 -9.611 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 21.322 3.059 -11.301 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 22.711 2.733 -10.380 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 21.264 1.906 -10.057 1.00 72.12 H new ATOM 1898 N GLU A 127 22.436 5.899 -5.761 1.00 63.52 N ATOM 1899 CA GLU A 127 22.737 7.315 -5.936 1.00 4.22 C ATOM 1900 C GLU A 127 22.790 8.031 -4.588 1.00 54.22 C ATOM 1901 O GLU A 127 21.759 8.272 -3.961 1.00 33.32 O ATOM 1902 CB GLU A 127 21.688 7.975 -6.834 1.00 12.12 C ATOM 1903 CG GLU A 127 21.572 7.334 -8.206 1.00 23.42 C ATOM 1904 CD GLU A 127 20.668 8.115 -9.141 1.00 72.31 C ATOM 1905 OE1 GLU A 127 19.447 8.162 -8.885 1.00 44.44 O1- ATOM 1906 OE2 GLU A 127 21.184 8.679 -10.128 1.00 54.12 O ATOM 0 H GLU A 127 21.514 5.618 -6.095 1.00 63.52 H new ATOM 0 HA GLU A 127 23.715 7.396 -6.411 1.00 4.22 H new ATOM 0 HB2 GLU A 127 20.718 7.931 -6.338 1.00 12.12 H new ATOM 0 HB3 GLU A 127 21.937 9.029 -6.955 1.00 12.12 H new ATOM 0 HG2 GLU A 127 22.564 7.253 -8.650 1.00 23.42 H new ATOM 0 HG3 GLU A 127 21.187 6.320 -8.098 1.00 23.42 H new TER 1913 GLU A 127