USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 995 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 23 LYS NZ :NH3+ -114:sc= 0.0356 (180deg=0) USER MOD Set 1.2: A 114 THR OG1 : rot 170:sc= -0.563 USER MOD Set 2.1: A 74 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.028) USER MOD Set 2.2: A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -143:sc=-0.000287 (180deg=-0.522) USER MOD Single : A 4 SER OG : rot 7:sc= 0.17 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -122:sc= 0 (180deg=-1.33) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.138 K(o=0.14,f=-1.6!) USER MOD Single : A 24 THR OG1 : rot -66:sc= 1.83 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00755) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0437) USER MOD Single : A 35 CYS SG : rot 41:sc= -0.0876 USER MOD Single : A 37 SER OG : rot -86:sc= -0.439! USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.1 K(o=-2.1,f=-7.7!) USER MOD Single : A 57 ASN : amide:sc= -0.0285 K(o=-0.028,f=-0.82!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc=-0.00567 X(o=-0.0057,f=-0.11) USER MOD Single : A 72 TYR OH : rot -152:sc= 1.21 USER MOD Single : A 79 SER OG : rot 180:sc= 0.00153 USER MOD Single : A 81 LYS NZ :NH3+ -165:sc= -0.0165 (180deg=-0.228) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -24:sc= 0.183 USER MOD Single : A 101 GLN : amide:sc= -0.0158 K(o=-0.016,f=-0.73) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc=-0.00996 X(o=-0.01,f=-0.21) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.104) USER MOD Single : A 121 ASN : amide:sc= -1.72 K(o=-1.7,f=-4.5!) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 HIS : no HE2:sc= -0.136 K(o=-0.14,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.265 -3.137 -4.562 1.00 21.23 N ATOM 2 CA GLY A 1 24.211 -2.440 -5.275 1.00 1.15 C ATOM 3 C GLY A 1 22.881 -3.163 -5.197 1.00 71.30 C ATOM 4 O GLY A 1 22.438 -3.798 -6.154 1.00 35.24 O ATOM 0 H1 GLY A 1 25.891 -2.444 -4.104 1.00 21.23 H new ATOM 0 H2 GLY A 1 24.845 -3.755 -3.839 1.00 21.23 H new ATOM 0 H3 GLY A 1 25.816 -3.712 -5.231 1.00 21.23 H new ATOM 0 HA2 GLY A 1 24.100 -1.437 -4.863 1.00 1.15 H new ATOM 0 HA3 GLY A 1 24.498 -2.326 -6.320 1.00 1.15 H new ATOM 8 N PRO A 2 22.222 -3.073 -4.033 1.00 41.24 N ATOM 9 CA PRO A 2 20.926 -3.719 -3.805 1.00 63.15 C ATOM 10 C PRO A 2 19.804 -3.064 -4.603 1.00 20.20 C ATOM 11 O PRO A 2 20.027 -2.094 -5.325 1.00 62.40 O ATOM 12 CB PRO A 2 20.695 -3.531 -2.303 1.00 11.53 C ATOM 13 CG PRO A 2 21.487 -2.320 -1.947 1.00 31.44 C ATOM 14 CD PRO A 2 22.691 -2.334 -2.849 1.00 64.13 C ATOM 0 HA PRO A 2 20.929 -4.762 -4.122 1.00 63.15 H new ATOM 0 HB2 PRO A 2 19.637 -3.392 -2.079 1.00 11.53 H new ATOM 0 HB3 PRO A 2 21.028 -4.402 -1.739 1.00 11.53 H new ATOM 0 HG2 PRO A 2 20.900 -1.413 -2.093 1.00 31.44 H new ATOM 0 HG3 PRO A 2 21.784 -2.342 -0.899 1.00 31.44 H new ATOM 0 HD2 PRO A 2 23.012 -1.325 -3.106 1.00 64.13 H new ATOM 0 HD3 PRO A 2 23.541 -2.828 -2.378 1.00 64.13 H new ATOM 22 N GLY A 3 18.595 -3.602 -4.467 1.00 1.24 N ATOM 23 CA GLY A 3 17.456 -3.057 -5.182 1.00 33.32 C ATOM 24 C GLY A 3 16.245 -3.968 -5.124 1.00 12.15 C ATOM 25 O GLY A 3 16.341 -5.111 -4.677 1.00 41.34 O ATOM 0 H GLY A 3 18.385 -4.405 -3.875 1.00 1.24 H new ATOM 0 HA2 GLY A 3 17.197 -2.086 -4.760 1.00 33.32 H new ATOM 0 HA3 GLY A 3 17.731 -2.889 -6.223 1.00 33.32 H new ATOM 29 N SER A 4 15.103 -3.460 -5.576 1.00 32.11 N ATOM 30 CA SER A 4 13.867 -4.234 -5.568 1.00 61.32 C ATOM 31 C SER A 4 12.983 -3.858 -6.754 1.00 44.23 C ATOM 32 O SER A 4 12.995 -2.715 -7.213 1.00 73.31 O ATOM 33 CB SER A 4 13.108 -4.008 -4.260 1.00 44.43 C ATOM 34 OG SER A 4 13.728 -4.693 -3.185 1.00 11.15 O ATOM 0 H SER A 4 15.008 -2.517 -5.952 1.00 32.11 H new ATOM 0 HA SER A 4 14.127 -5.289 -5.651 1.00 61.32 H new ATOM 0 HB2 SER A 4 13.066 -2.941 -4.040 1.00 44.43 H new ATOM 0 HB3 SER A 4 12.079 -4.351 -4.369 1.00 44.43 H new ATOM 0 HG SER A 4 14.579 -5.073 -3.487 1.00 11.15 H new ATOM 40 N MET A 5 12.219 -4.827 -7.245 1.00 73.43 N ATOM 41 CA MET A 5 11.327 -4.598 -8.377 1.00 14.51 C ATOM 42 C MET A 5 10.128 -5.540 -8.324 1.00 15.11 C ATOM 43 O MET A 5 9.966 -6.300 -7.370 1.00 41.12 O ATOM 44 CB MET A 5 12.082 -4.788 -9.694 1.00 40.32 C ATOM 45 CG MET A 5 13.197 -3.776 -9.907 1.00 43.01 C ATOM 46 SD MET A 5 14.092 -4.043 -11.449 1.00 11.32 S ATOM 47 CE MET A 5 15.722 -4.447 -10.828 1.00 12.43 C ATOM 0 H MET A 5 12.199 -5.778 -6.878 1.00 73.43 H new ATOM 0 HA MET A 5 10.963 -3.572 -8.319 1.00 14.51 H new ATOM 0 HB2 MET A 5 12.504 -5.792 -9.720 1.00 40.32 H new ATOM 0 HB3 MET A 5 11.376 -4.718 -10.521 1.00 40.32 H new ATOM 0 HG2 MET A 5 12.775 -2.771 -9.906 1.00 43.01 H new ATOM 0 HG3 MET A 5 13.896 -3.830 -9.072 1.00 43.01 H new ATOM 0 HE1 MET A 5 16.393 -4.640 -11.665 1.00 12.43 H new ATOM 0 HE2 MET A 5 16.105 -3.612 -10.241 1.00 12.43 H new ATOM 0 HE3 MET A 5 15.662 -5.336 -10.199 1.00 12.43 H new ATOM 57 N ASP A 6 9.292 -5.484 -9.354 1.00 11.14 N ATOM 58 CA ASP A 6 8.108 -6.332 -9.425 1.00 63.34 C ATOM 59 C ASP A 6 7.464 -6.252 -10.806 1.00 5.21 C ATOM 60 O ASP A 6 7.728 -5.325 -11.572 1.00 71.42 O ATOM 61 CB ASP A 6 7.097 -5.924 -8.352 1.00 31.23 C ATOM 62 CG ASP A 6 6.932 -4.419 -8.255 1.00 65.22 C ATOM 63 OD1 ASP A 6 7.050 -3.741 -9.297 1.00 61.13 O ATOM 64 OD2 ASP A 6 6.683 -3.922 -7.138 1.00 11.11 O1- ATOM 0 H ASP A 6 9.412 -4.860 -10.152 1.00 11.14 H new ATOM 0 HA ASP A 6 8.418 -7.362 -9.248 1.00 63.34 H new ATOM 0 HB2 ASP A 6 6.132 -6.379 -8.574 1.00 31.23 H new ATOM 0 HB3 ASP A 6 7.419 -6.314 -7.386 1.00 31.23 H new ATOM 69 N MET A 7 6.620 -7.230 -11.117 1.00 24.45 N ATOM 70 CA MET A 7 5.939 -7.269 -12.405 1.00 12.31 C ATOM 71 C MET A 7 4.440 -7.480 -12.221 1.00 2.41 C ATOM 72 O MET A 7 3.996 -8.565 -11.844 1.00 61.54 O ATOM 73 CB MET A 7 6.519 -8.384 -13.279 1.00 11.23 C ATOM 74 CG MET A 7 7.885 -8.054 -13.857 1.00 51.32 C ATOM 75 SD MET A 7 9.237 -8.556 -12.776 1.00 25.32 S ATOM 76 CE MET A 7 10.626 -8.459 -13.902 1.00 62.51 C ATOM 0 H MET A 7 6.392 -8.005 -10.495 1.00 24.45 H new ATOM 0 HA MET A 7 6.095 -6.310 -12.900 1.00 12.31 H new ATOM 0 HB2 MET A 7 6.595 -9.296 -12.687 1.00 11.23 H new ATOM 0 HB3 MET A 7 5.828 -8.591 -14.096 1.00 11.23 H new ATOM 0 HG2 MET A 7 7.995 -8.547 -14.823 1.00 51.32 H new ATOM 0 HG3 MET A 7 7.949 -6.981 -14.038 1.00 51.32 H new ATOM 0 HE1 MET A 7 11.116 -9.431 -13.960 1.00 62.51 H new ATOM 0 HE2 MET A 7 10.272 -8.171 -14.892 1.00 62.51 H new ATOM 0 HE3 MET A 7 11.336 -7.716 -13.540 1.00 62.51 H new ATOM 86 N PHE A 8 3.662 -6.437 -12.490 1.00 3.54 N ATOM 87 CA PHE A 8 2.212 -6.507 -12.353 1.00 21.13 C ATOM 88 C PHE A 8 1.529 -5.486 -13.259 1.00 4.32 C ATOM 89 O PHE A 8 2.167 -4.557 -13.756 1.00 2.32 O ATOM 90 CB PHE A 8 1.805 -6.267 -10.898 1.00 31.03 C ATOM 91 CG PHE A 8 2.168 -4.901 -10.391 1.00 51.20 C ATOM 92 CD1 PHE A 8 3.453 -4.630 -9.951 1.00 71.41 C ATOM 93 CD2 PHE A 8 1.224 -3.888 -10.353 1.00 54.22 C ATOM 94 CE1 PHE A 8 3.792 -3.374 -9.483 1.00 55.12 C ATOM 95 CE2 PHE A 8 1.556 -2.630 -9.888 1.00 71.44 C ATOM 96 CZ PHE A 8 2.841 -2.373 -9.452 1.00 63.50 C ATOM 0 H PHE A 8 4.012 -5.532 -12.805 1.00 3.54 H new ATOM 0 HA PHE A 8 1.891 -7.504 -12.654 1.00 21.13 H new ATOM 0 HB2 PHE A 8 0.728 -6.407 -10.803 1.00 31.03 H new ATOM 0 HB3 PHE A 8 2.281 -7.018 -10.267 1.00 31.03 H new ATOM 0 HD1 PHE A 8 4.200 -5.410 -9.974 1.00 71.41 H new ATOM 0 HD2 PHE A 8 0.217 -4.084 -10.691 1.00 54.22 H new ATOM 0 HE1 PHE A 8 4.798 -3.176 -9.143 1.00 55.12 H new ATOM 0 HE2 PHE A 8 0.811 -1.848 -9.865 1.00 71.44 H new ATOM 0 HZ PHE A 8 3.102 -1.390 -9.087 1.00 63.50 H new ATOM 106 N SER A 9 0.230 -5.667 -13.470 1.00 44.14 N ATOM 107 CA SER A 9 -0.539 -4.765 -14.320 1.00 63.12 C ATOM 108 C SER A 9 -0.348 -3.316 -13.886 1.00 52.32 C ATOM 109 O SER A 9 -0.458 -2.990 -12.704 1.00 53.53 O ATOM 110 CB SER A 9 -2.024 -5.131 -14.275 1.00 34.53 C ATOM 111 OG SER A 9 -2.771 -4.345 -15.186 1.00 72.44 O ATOM 0 H SER A 9 -0.313 -6.430 -13.064 1.00 44.14 H new ATOM 0 HA SER A 9 -0.176 -4.871 -15.342 1.00 63.12 H new ATOM 0 HB2 SER A 9 -2.149 -6.187 -14.514 1.00 34.53 H new ATOM 0 HB3 SER A 9 -2.407 -4.985 -13.265 1.00 34.53 H new ATOM 0 HG SER A 9 -3.716 -4.600 -15.139 1.00 72.44 H new ATOM 117 N ALA A 10 -0.060 -2.449 -14.852 1.00 24.13 N ATOM 118 CA ALA A 10 0.144 -1.034 -14.572 1.00 0.13 C ATOM 119 C ALA A 10 -0.052 -0.192 -15.828 1.00 51.52 C ATOM 120 O ALA A 10 0.898 0.343 -16.401 1.00 13.44 O ATOM 121 CB ALA A 10 1.533 -0.805 -13.994 1.00 71.34 C ATOM 0 H ALA A 10 0.037 -2.703 -15.835 1.00 24.13 H new ATOM 0 HA ALA A 10 -0.600 -0.724 -13.838 1.00 0.13 H new ATOM 0 HB1 ALA A 10 1.672 0.257 -13.790 1.00 71.34 H new ATOM 0 HB2 ALA A 10 1.639 -1.370 -13.068 1.00 71.34 H new ATOM 0 HB3 ALA A 10 2.284 -1.138 -14.710 1.00 71.34 H new ATOM 127 N PRO A 11 -1.314 -0.069 -16.268 1.00 62.34 N ATOM 128 CA PRO A 11 -1.664 0.708 -17.460 1.00 14.41 C ATOM 129 C PRO A 11 -1.489 2.207 -17.248 1.00 62.40 C ATOM 130 O PRO A 11 -1.438 2.978 -18.208 1.00 14.13 O ATOM 131 CB PRO A 11 -3.140 0.367 -17.684 1.00 63.20 C ATOM 132 CG PRO A 11 -3.647 -0.018 -16.337 1.00 52.41 C ATOM 133 CD PRO A 11 -2.494 -0.678 -15.634 1.00 63.23 C ATOM 0 HA PRO A 11 -1.023 0.466 -18.307 1.00 14.41 H new ATOM 0 HB2 PRO A 11 -3.687 1.220 -18.084 1.00 63.20 H new ATOM 0 HB3 PRO A 11 -3.254 -0.448 -18.398 1.00 63.20 H new ATOM 0 HG2 PRO A 11 -3.992 0.857 -15.785 1.00 52.41 H new ATOM 0 HG3 PRO A 11 -4.495 -0.698 -16.419 1.00 52.41 H new ATOM 0 HD2 PRO A 11 -2.516 -0.489 -14.561 1.00 63.23 H new ATOM 0 HD3 PRO A 11 -2.508 -1.760 -15.767 1.00 63.23 H new ATOM 141 N ASP A 12 -1.395 2.615 -15.988 1.00 1.52 N ATOM 142 CA ASP A 12 -1.224 4.023 -15.650 1.00 54.24 C ATOM 143 C ASP A 12 0.138 4.266 -15.008 1.00 1.12 C ATOM 144 O ASP A 12 0.317 5.223 -14.254 1.00 33.35 O ATOM 145 CB ASP A 12 -2.337 4.482 -14.707 1.00 65.52 C ATOM 146 CG ASP A 12 -2.223 3.858 -13.330 1.00 11.11 C ATOM 147 OD1 ASP A 12 -1.424 4.364 -12.513 1.00 53.53 O ATOM 148 OD2 ASP A 12 -2.931 2.864 -13.069 1.00 73.21 O1- ATOM 0 H ASP A 12 -1.434 1.990 -15.183 1.00 1.52 H new ATOM 0 HA ASP A 12 -1.279 4.602 -16.572 1.00 54.24 H new ATOM 0 HB2 ASP A 12 -2.306 5.568 -14.614 1.00 65.52 H new ATOM 0 HB3 ASP A 12 -3.304 4.226 -15.140 1.00 65.52 H new ATOM 153 N ARG A 13 1.093 3.393 -15.309 1.00 62.40 N ATOM 154 CA ARG A 13 2.438 3.511 -14.760 1.00 13.43 C ATOM 155 C ARG A 13 3.448 2.769 -15.630 1.00 51.13 C ATOM 156 O ARG A 13 3.212 1.633 -16.041 1.00 65.25 O ATOM 157 CB ARG A 13 2.478 2.962 -13.332 1.00 71.33 C ATOM 158 CG ARG A 13 2.083 3.982 -12.277 1.00 64.41 C ATOM 159 CD ARG A 13 2.718 3.664 -10.931 1.00 64.44 C ATOM 160 NE ARG A 13 4.173 3.768 -10.974 1.00 53.53 N ATOM 161 CZ ARG A 13 4.828 4.922 -11.020 1.00 72.45 C ATOM 162 NH1 ARG A 13 4.160 6.067 -11.028 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 6.155 4.933 -11.057 1.00 74.21 N ATOM 0 H ARG A 13 0.960 2.595 -15.931 1.00 62.40 H new ATOM 0 HA ARG A 13 2.706 4.567 -14.744 1.00 13.43 H new ATOM 0 HB2 ARG A 13 1.810 2.103 -13.263 1.00 71.33 H new ATOM 0 HB3 ARG A 13 3.484 2.602 -13.118 1.00 71.33 H new ATOM 0 HG2 ARG A 13 2.389 4.977 -12.599 1.00 64.41 H new ATOM 0 HG3 ARG A 13 0.998 3.999 -12.174 1.00 64.41 H new ATOM 0 HD2 ARG A 13 2.328 4.347 -10.176 1.00 64.44 H new ATOM 0 HD3 ARG A 13 2.436 2.656 -10.626 1.00 64.44 H new ATOM 0 HE ARG A 13 4.717 2.906 -10.968 1.00 53.53 H new ATOM 0 HH11 ARG A 13 3.140 6.063 -10.999 1.00 1.02 H new ATOM 0 HH12 ARG A 13 4.666 6.952 -11.063 1.00 1.02 H new ATOM 0 HH21 ARG A 13 6.673 4.054 -11.050 1.00 74.21 H new ATOM 0 HH22 ARG A 13 6.657 5.820 -11.092 1.00 74.21 H new ATOM 177 N ILE A 14 4.573 3.420 -15.906 1.00 31.23 N ATOM 178 CA ILE A 14 5.619 2.820 -16.727 1.00 21.45 C ATOM 179 C ILE A 14 6.001 1.439 -16.208 1.00 33.43 C ATOM 180 O ILE A 14 6.217 1.234 -15.013 1.00 4.22 O ATOM 181 CB ILE A 14 6.878 3.707 -16.768 1.00 63.41 C ATOM 182 CG1 ILE A 14 6.524 5.110 -17.266 1.00 40.21 C ATOM 183 CG2 ILE A 14 7.941 3.076 -17.656 1.00 71.10 C ATOM 184 CD1 ILE A 14 6.614 6.172 -16.193 1.00 72.40 C ATOM 0 H ILE A 14 4.784 4.361 -15.574 1.00 31.23 H new ATOM 0 HA ILE A 14 5.216 2.727 -17.735 1.00 21.45 H new ATOM 0 HB ILE A 14 7.279 3.791 -15.758 1.00 63.41 H new ATOM 0 HG12 ILE A 14 7.192 5.375 -18.085 1.00 40.21 H new ATOM 0 HG13 ILE A 14 5.512 5.099 -17.671 1.00 40.21 H new ATOM 0 HG21 ILE A 14 8.825 3.714 -17.675 1.00 71.10 H new ATOM 0 HG22 ILE A 14 8.210 2.096 -17.262 1.00 71.10 H new ATOM 0 HG23 ILE A 14 7.551 2.966 -18.668 1.00 71.10 H new ATOM 0 HD11 ILE A 14 6.350 7.141 -16.617 1.00 72.40 H new ATOM 0 HD12 ILE A 14 5.926 5.930 -15.383 1.00 72.40 H new ATOM 0 HD13 ILE A 14 7.632 6.211 -15.804 1.00 72.40 H new ATOM 196 N PRO A 15 6.091 0.466 -17.127 1.00 52.44 N ATOM 197 CA PRO A 15 6.449 -0.915 -16.788 1.00 71.33 C ATOM 198 C PRO A 15 7.908 -1.046 -16.364 1.00 44.54 C ATOM 199 O PRO A 15 8.596 -0.047 -16.158 1.00 21.35 O ATOM 200 CB PRO A 15 6.199 -1.678 -18.090 1.00 32.33 C ATOM 201 CG PRO A 15 6.341 -0.653 -19.162 1.00 35.51 C ATOM 202 CD PRO A 15 5.847 0.637 -18.569 1.00 52.11 C ATOM 0 HA PRO A 15 5.872 -1.290 -15.943 1.00 71.33 H new ATOM 0 HB2 PRO A 15 6.917 -2.488 -18.219 1.00 32.33 H new ATOM 0 HB3 PRO A 15 5.206 -2.128 -18.101 1.00 32.33 H new ATOM 0 HG2 PRO A 15 7.379 -0.563 -19.481 1.00 35.51 H new ATOM 0 HG3 PRO A 15 5.759 -0.926 -20.042 1.00 35.51 H new ATOM 0 HD2 PRO A 15 6.387 1.496 -18.969 1.00 52.11 H new ATOM 0 HD3 PRO A 15 4.790 0.798 -18.781 1.00 52.11 H new ATOM 210 N GLU A 16 8.373 -2.285 -16.237 1.00 24.10 N ATOM 211 CA GLU A 16 9.751 -2.546 -15.838 1.00 63.23 C ATOM 212 C GLU A 16 10.728 -1.763 -16.711 1.00 23.52 C ATOM 213 O GLU A 16 10.399 -1.374 -17.831 1.00 3.13 O ATOM 214 CB GLU A 16 10.056 -4.042 -15.926 1.00 12.45 C ATOM 215 CG GLU A 16 9.607 -4.829 -14.706 1.00 54.23 C ATOM 216 CD GLU A 16 10.363 -4.440 -13.450 1.00 62.22 C ATOM 217 OE1 GLU A 16 11.335 -5.142 -13.102 1.00 73.31 O ATOM 218 OE2 GLU A 16 9.982 -3.434 -12.816 1.00 11.13 O1- ATOM 0 H GLU A 16 7.816 -3.123 -16.405 1.00 24.10 H new ATOM 0 HA GLU A 16 9.872 -2.219 -14.805 1.00 63.23 H new ATOM 0 HB2 GLU A 16 9.569 -4.452 -16.811 1.00 12.45 H new ATOM 0 HB3 GLU A 16 11.129 -4.178 -16.061 1.00 12.45 H new ATOM 0 HG2 GLU A 16 8.540 -4.669 -14.548 1.00 54.23 H new ATOM 0 HG3 GLU A 16 9.746 -5.894 -14.894 1.00 54.23 H new ATOM 225 N GLN A 17 11.928 -1.537 -16.189 1.00 15.32 N ATOM 226 CA GLN A 17 12.953 -0.800 -16.920 1.00 43.30 C ATOM 227 C GLN A 17 13.669 -1.707 -17.916 1.00 14.04 C ATOM 228 O GLN A 17 13.770 -2.916 -17.708 1.00 32.12 O ATOM 229 CB GLN A 17 13.965 -0.191 -15.948 1.00 2.54 C ATOM 230 CG GLN A 17 13.352 0.251 -14.629 1.00 15.05 C ATOM 231 CD GLN A 17 13.574 -0.755 -13.517 1.00 5.52 C ATOM 232 OE1 GLN A 17 12.744 -1.634 -13.283 1.00 25.01 O ATOM 233 NE2 GLN A 17 14.700 -0.630 -12.822 1.00 30.14 N ATOM 0 H GLN A 17 12.215 -1.853 -15.263 1.00 15.32 H new ATOM 0 HA GLN A 17 12.464 0.002 -17.473 1.00 43.30 H new ATOM 0 HB2 GLN A 17 14.749 -0.921 -15.748 1.00 2.54 H new ATOM 0 HB3 GLN A 17 14.442 0.666 -16.423 1.00 2.54 H new ATOM 0 HG2 GLN A 17 13.780 1.210 -14.337 1.00 15.05 H new ATOM 0 HG3 GLN A 17 12.282 0.407 -14.764 1.00 15.05 H new ATOM 0 HE21 GLN A 17 15.360 0.113 -13.050 1.00 30.14 H new ATOM 0 HE22 GLN A 17 14.904 -1.277 -12.061 1.00 30.14 H new ATOM 242 N ILE A 18 14.163 -1.115 -18.999 1.00 24.21 N ATOM 243 CA ILE A 18 14.869 -1.869 -20.026 1.00 45.03 C ATOM 244 C ILE A 18 16.199 -1.209 -20.375 1.00 53.13 C ATOM 245 O ILE A 18 16.529 -0.142 -19.858 1.00 34.14 O ATOM 246 CB ILE A 18 14.024 -2.004 -21.307 1.00 12.34 C ATOM 247 CG1 ILE A 18 13.650 -0.622 -21.845 1.00 64.44 C ATOM 248 CG2 ILE A 18 12.775 -2.828 -21.032 1.00 30.13 C ATOM 249 CD1 ILE A 18 14.451 -0.209 -23.060 1.00 51.52 C ATOM 0 H ILE A 18 14.087 -0.115 -19.187 1.00 24.21 H new ATOM 0 HA ILE A 18 15.055 -2.862 -19.617 1.00 45.03 H new ATOM 0 HB ILE A 18 14.616 -2.519 -22.064 1.00 12.34 H new ATOM 0 HG12 ILE A 18 12.590 -0.615 -22.099 1.00 64.44 H new ATOM 0 HG13 ILE A 18 13.794 0.117 -21.057 1.00 64.44 H new ATOM 0 HG21 ILE A 18 12.188 -2.915 -21.946 1.00 30.13 H new ATOM 0 HG22 ILE A 18 13.063 -3.822 -20.690 1.00 30.13 H new ATOM 0 HG23 ILE A 18 12.178 -2.338 -20.263 1.00 30.13 H new ATOM 0 HD11 ILE A 18 14.132 0.781 -23.387 1.00 51.52 H new ATOM 0 HD12 ILE A 18 15.511 -0.184 -22.806 1.00 51.52 H new ATOM 0 HD13 ILE A 18 14.288 -0.926 -23.864 1.00 51.52 H new ATOM 261 N ARG A 19 16.958 -1.851 -21.257 1.00 71.23 N ATOM 262 CA ARG A 19 18.253 -1.327 -21.676 1.00 75.34 C ATOM 263 C ARG A 19 18.279 -1.085 -23.183 1.00 62.41 C ATOM 264 O ARG A 19 17.849 -1.933 -23.965 1.00 51.13 O ATOM 265 CB ARG A 19 19.370 -2.295 -21.285 1.00 70.32 C ATOM 266 CG ARG A 19 20.752 -1.841 -21.725 1.00 12.13 C ATOM 267 CD ARG A 19 21.767 -2.970 -21.629 1.00 72.31 C ATOM 268 NE ARG A 19 22.068 -3.318 -20.244 1.00 22.42 N ATOM 269 CZ ARG A 19 22.636 -4.463 -19.881 1.00 11.21 C ATOM 270 NH1 ARG A 19 22.963 -5.364 -20.796 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 22.879 -4.707 -18.599 1.00 23.13 N ATOM 0 H ARG A 19 16.699 -2.735 -21.695 1.00 71.23 H new ATOM 0 HA ARG A 19 18.413 -0.375 -21.169 1.00 75.34 H new ATOM 0 HB2 ARG A 19 19.366 -2.422 -20.202 1.00 70.32 H new ATOM 0 HB3 ARG A 19 19.162 -3.272 -21.721 1.00 70.32 H new ATOM 0 HG2 ARG A 19 20.707 -1.477 -22.752 1.00 12.13 H new ATOM 0 HG3 ARG A 19 21.076 -1.005 -21.105 1.00 12.13 H new ATOM 0 HD2 ARG A 19 21.383 -3.848 -22.148 1.00 72.31 H new ATOM 0 HD3 ARG A 19 22.686 -2.676 -22.137 1.00 72.31 H new ATOM 0 HE ARG A 19 21.829 -2.646 -19.515 1.00 22.42 H new ATOM 0 HH11 ARG A 19 22.779 -5.179 -21.782 1.00 43.31 H new ATOM 0 HH12 ARG A 19 23.399 -6.242 -20.514 1.00 43.31 H new ATOM 0 HH21 ARG A 19 22.630 -4.015 -17.892 1.00 23.13 H new ATOM 0 HH22 ARG A 19 23.315 -5.586 -18.321 1.00 23.13 H new ATOM 285 N ILE A 20 18.785 0.077 -23.581 1.00 35.55 N ATOM 286 CA ILE A 20 18.867 0.430 -24.993 1.00 64.45 C ATOM 287 C ILE A 20 20.318 0.542 -25.447 1.00 32.03 C ATOM 288 O ILE A 20 21.242 0.482 -24.635 1.00 53.21 O ATOM 289 CB ILE A 20 18.145 1.757 -25.285 1.00 75.13 C ATOM 290 CG1 ILE A 20 18.588 2.833 -24.291 1.00 15.54 C ATOM 291 CG2 ILE A 20 16.637 1.565 -25.228 1.00 21.23 C ATOM 292 CD1 ILE A 20 18.752 4.201 -24.915 1.00 21.13 C ATOM 0 H ILE A 20 19.144 0.790 -22.946 1.00 35.55 H new ATOM 0 HA ILE A 20 18.376 -0.370 -25.547 1.00 64.45 H new ATOM 0 HB ILE A 20 18.412 2.084 -26.290 1.00 75.13 H new ATOM 0 HG12 ILE A 20 17.856 2.895 -23.485 1.00 15.54 H new ATOM 0 HG13 ILE A 20 19.534 2.532 -23.840 1.00 15.54 H new ATOM 0 HG21 ILE A 20 16.141 2.513 -25.437 1.00 21.23 H new ATOM 0 HG22 ILE A 20 16.336 0.827 -25.971 1.00 21.23 H new ATOM 0 HG23 ILE A 20 16.352 1.217 -24.235 1.00 21.23 H new ATOM 0 HD11 ILE A 20 19.067 4.913 -24.153 1.00 21.13 H new ATOM 0 HD12 ILE A 20 19.505 4.154 -25.702 1.00 21.13 H new ATOM 0 HD13 ILE A 20 17.802 4.523 -25.341 1.00 21.13 H new ATOM 304 N PHE A 21 20.513 0.709 -26.751 1.00 73.53 N ATOM 305 CA PHE A 21 21.852 0.832 -27.315 1.00 64.54 C ATOM 306 C PHE A 21 21.965 2.083 -28.181 1.00 32.43 C ATOM 307 O PHE A 21 21.148 2.310 -29.073 1.00 22.23 O ATOM 308 CB PHE A 21 22.196 -0.408 -28.143 1.00 22.21 C ATOM 309 CG PHE A 21 23.082 -1.383 -27.421 1.00 75.22 C ATOM 310 CD1 PHE A 21 22.619 -2.068 -26.310 1.00 21.22 C ATOM 311 CD2 PHE A 21 24.378 -1.615 -27.854 1.00 14.32 C ATOM 312 CE1 PHE A 21 23.432 -2.967 -25.643 1.00 63.25 C ATOM 313 CE2 PHE A 21 25.194 -2.513 -27.193 1.00 44.12 C ATOM 314 CZ PHE A 21 24.721 -3.188 -26.086 1.00 20.14 C ATOM 0 H PHE A 21 19.760 0.762 -27.437 1.00 73.53 H new ATOM 0 HA PHE A 21 22.560 0.917 -26.490 1.00 64.54 H new ATOM 0 HB2 PHE A 21 21.273 -0.911 -28.430 1.00 22.21 H new ATOM 0 HB3 PHE A 21 22.688 -0.095 -29.064 1.00 22.21 H new ATOM 0 HD1 PHE A 21 21.611 -1.898 -25.960 1.00 21.22 H new ATOM 0 HD2 PHE A 21 24.754 -1.088 -28.718 1.00 14.32 H new ATOM 0 HE1 PHE A 21 23.059 -3.495 -24.778 1.00 63.25 H new ATOM 0 HE2 PHE A 21 26.201 -2.687 -27.542 1.00 44.12 H new ATOM 0 HZ PHE A 21 25.358 -3.888 -25.567 1.00 20.14 H new ATOM 324 N PHE A 22 22.985 2.892 -27.913 1.00 34.14 N ATOM 325 CA PHE A 22 23.204 4.121 -28.666 1.00 71.33 C ATOM 326 C PHE A 22 24.234 3.904 -29.772 1.00 24.13 C ATOM 327 O PHE A 22 25.436 3.848 -29.515 1.00 42.03 O ATOM 328 CB PHE A 22 23.672 5.240 -27.732 1.00 34.11 C ATOM 329 CG PHE A 22 22.557 6.125 -27.253 1.00 21.32 C ATOM 330 CD1 PHE A 22 22.361 6.344 -25.899 1.00 55.45 C ATOM 331 CD2 PHE A 22 21.705 6.739 -28.157 1.00 11.41 C ATOM 332 CE1 PHE A 22 21.336 7.158 -25.455 1.00 43.04 C ATOM 333 CE2 PHE A 22 20.679 7.555 -27.719 1.00 34.04 C ATOM 334 CZ PHE A 22 20.494 7.764 -26.367 1.00 31.31 C ATOM 0 H PHE A 22 23.673 2.718 -27.180 1.00 34.14 H new ATOM 0 HA PHE A 22 22.258 4.411 -29.124 1.00 71.33 H new ATOM 0 HB2 PHE A 22 24.171 4.798 -26.869 1.00 34.11 H new ATOM 0 HB3 PHE A 22 24.412 5.850 -28.250 1.00 34.11 H new ATOM 0 HD1 PHE A 22 23.017 5.873 -25.182 1.00 55.45 H new ATOM 0 HD2 PHE A 22 21.844 6.578 -29.216 1.00 11.41 H new ATOM 0 HE1 PHE A 22 21.194 7.320 -24.397 1.00 43.04 H new ATOM 0 HE2 PHE A 22 20.023 8.029 -28.434 1.00 34.04 H new ATOM 0 HZ PHE A 22 19.692 8.400 -26.023 1.00 31.31 H new ATOM 344 N LYS A 23 23.751 3.783 -31.004 1.00 30.42 N ATOM 345 CA LYS A 23 24.626 3.573 -32.151 1.00 1.30 C ATOM 346 C LYS A 23 24.907 4.889 -32.870 1.00 12.33 C ATOM 347 O LYS A 23 24.002 5.694 -33.089 1.00 50.24 O ATOM 348 CB LYS A 23 23.995 2.574 -33.123 1.00 51.30 C ATOM 349 CG LYS A 23 24.984 1.982 -34.113 1.00 73.32 C ATOM 350 CD LYS A 23 25.032 2.786 -35.401 1.00 53.34 C ATOM 351 CE LYS A 23 25.467 1.929 -36.579 1.00 11.44 C ATOM 352 NZ LYS A 23 24.351 1.089 -37.096 1.00 75.34 N1+ ATOM 0 H LYS A 23 22.758 3.827 -31.234 1.00 30.42 H new ATOM 0 HA LYS A 23 25.571 3.170 -31.786 1.00 1.30 H new ATOM 0 HB2 LYS A 23 23.536 1.766 -32.553 1.00 51.30 H new ATOM 0 HB3 LYS A 23 23.196 3.070 -33.673 1.00 51.30 H new ATOM 0 HG2 LYS A 23 25.977 1.953 -33.664 1.00 73.32 H new ATOM 0 HG3 LYS A 23 24.705 0.952 -34.336 1.00 73.32 H new ATOM 0 HD2 LYS A 23 24.049 3.211 -35.603 1.00 53.34 H new ATOM 0 HD3 LYS A 23 25.722 3.622 -35.284 1.00 53.34 H new ATOM 0 HE2 LYS A 23 25.838 2.571 -37.378 1.00 11.44 H new ATOM 0 HE3 LYS A 23 26.294 1.287 -36.275 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 24.567 0.085 -36.930 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 23.470 1.340 -36.603 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 24.236 1.255 -38.116 1.00 75.34 H new ATOM 366 N THR A 24 26.167 5.102 -33.235 1.00 1.24 N ATOM 367 CA THR A 24 26.567 6.319 -33.929 1.00 41.43 C ATOM 368 C THR A 24 27.394 5.999 -35.168 1.00 55.05 C ATOM 369 O THR A 24 27.690 4.837 -35.446 1.00 23.40 O ATOM 370 CB THR A 24 27.380 7.249 -33.008 1.00 24.11 C ATOM 371 OG1 THR A 24 28.693 6.712 -32.806 1.00 65.51 O ATOM 372 CG2 THR A 24 26.686 7.425 -31.666 1.00 50.11 C ATOM 0 H THR A 24 26.929 4.446 -33.061 1.00 1.24 H new ATOM 0 HA THR A 24 25.651 6.828 -34.229 1.00 41.43 H new ATOM 0 HB THR A 24 27.456 8.224 -33.489 1.00 24.11 H new ATOM 0 HG1 THR A 24 28.630 5.874 -32.302 1.00 65.51 H new ATOM 0 HG21 THR A 24 27.279 8.085 -31.034 1.00 50.11 H new ATOM 0 HG22 THR A 24 25.699 7.861 -31.821 1.00 50.11 H new ATOM 0 HG23 THR A 24 26.582 6.455 -31.180 1.00 50.11 H new ATOM 380 N MET A 25 27.765 7.038 -35.910 1.00 73.10 N ATOM 381 CA MET A 25 28.561 6.866 -37.120 1.00 52.45 C ATOM 382 C MET A 25 30.006 6.520 -36.776 1.00 2.30 C ATOM 383 O MET A 25 30.799 6.179 -37.654 1.00 33.11 O ATOM 384 CB MET A 25 28.517 8.138 -37.970 1.00 30.23 C ATOM 385 CG MET A 25 28.821 7.898 -39.439 1.00 63.33 C ATOM 386 SD MET A 25 27.517 6.977 -40.277 1.00 45.42 S ATOM 387 CE MET A 25 28.401 5.494 -40.754 1.00 4.22 C ATOM 0 H MET A 25 27.527 8.006 -35.695 1.00 73.10 H new ATOM 0 HA MET A 25 28.135 6.041 -37.691 1.00 52.45 H new ATOM 0 HB2 MET A 25 27.529 8.591 -37.881 1.00 30.23 H new ATOM 0 HB3 MET A 25 29.234 8.856 -37.572 1.00 30.23 H new ATOM 0 HG2 MET A 25 28.962 8.857 -39.938 1.00 63.33 H new ATOM 0 HG3 MET A 25 29.760 7.352 -39.527 1.00 63.33 H new ATOM 0 HE1 MET A 25 27.726 4.823 -41.284 1.00 4.22 H new ATOM 0 HE2 MET A 25 29.234 5.760 -41.405 1.00 4.22 H new ATOM 0 HE3 MET A 25 28.783 4.995 -39.863 1.00 4.22 H new ATOM 397 N LYS A 26 30.342 6.610 -35.494 1.00 24.12 N ATOM 398 CA LYS A 26 31.691 6.306 -35.033 1.00 45.31 C ATOM 399 C LYS A 26 31.733 4.953 -34.328 1.00 52.32 C ATOM 400 O LYS A 26 32.699 4.202 -34.464 1.00 42.42 O ATOM 401 CB LYS A 26 32.189 7.401 -34.087 1.00 13.34 C ATOM 402 CG LYS A 26 33.594 7.160 -33.564 1.00 61.12 C ATOM 403 CD LYS A 26 34.315 8.467 -33.280 1.00 13.14 C ATOM 404 CE LYS A 26 35.661 8.228 -32.613 1.00 42.23 C ATOM 405 NZ LYS A 26 36.631 7.577 -33.537 1.00 4.53 N1+ ATOM 0 H LYS A 26 29.698 6.891 -34.755 1.00 24.12 H new ATOM 0 HA LYS A 26 32.344 6.263 -35.905 1.00 45.31 H new ATOM 0 HB2 LYS A 26 32.163 8.358 -34.607 1.00 13.34 H new ATOM 0 HB3 LYS A 26 31.504 7.479 -33.242 1.00 13.34 H new ATOM 0 HG2 LYS A 26 33.547 6.564 -32.653 1.00 61.12 H new ATOM 0 HG3 LYS A 26 34.161 6.582 -34.294 1.00 61.12 H new ATOM 0 HD2 LYS A 26 34.462 9.013 -34.212 1.00 13.14 H new ATOM 0 HD3 LYS A 26 33.696 9.093 -32.638 1.00 13.14 H new ATOM 0 HE2 LYS A 26 36.069 9.178 -32.269 1.00 42.23 H new ATOM 0 HE3 LYS A 26 35.523 7.602 -31.731 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 37.550 7.478 -33.061 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 36.277 6.637 -33.806 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 36.744 8.161 -34.390 1.00 4.53 H new ATOM 419 N GLN A 27 30.680 4.649 -33.576 1.00 23.51 N ATOM 420 CA GLN A 27 30.597 3.387 -32.852 1.00 54.41 C ATOM 421 C GLN A 27 29.287 3.288 -32.078 1.00 32.12 C ATOM 422 O GLN A 27 28.493 4.229 -32.058 1.00 31.42 O ATOM 423 CB GLN A 27 31.782 3.248 -31.892 1.00 35.15 C ATOM 424 CG GLN A 27 32.040 4.493 -31.061 1.00 31.13 C ATOM 425 CD GLN A 27 33.251 4.351 -30.159 1.00 41.01 C ATOM 426 OE1 GLN A 27 33.647 3.241 -29.802 1.00 14.54 O ATOM 427 NE2 GLN A 27 33.848 5.478 -29.786 1.00 44.23 N ATOM 0 H GLN A 27 29.873 5.260 -33.453 1.00 23.51 H new ATOM 0 HA GLN A 27 30.629 2.576 -33.580 1.00 54.41 H new ATOM 0 HB2 GLN A 27 31.601 2.406 -31.224 1.00 35.15 H new ATOM 0 HB3 GLN A 27 32.678 3.012 -32.466 1.00 35.15 H new ATOM 0 HG2 GLN A 27 32.184 5.345 -31.725 1.00 31.13 H new ATOM 0 HG3 GLN A 27 31.161 4.708 -30.453 1.00 31.13 H new ATOM 0 HE21 GLN A 27 33.486 6.377 -30.105 1.00 44.23 H new ATOM 0 HE22 GLN A 27 34.668 5.444 -29.180 1.00 44.23 H new ATOM 436 N VAL A 28 29.066 2.142 -31.442 1.00 3.05 N ATOM 437 CA VAL A 28 27.852 1.920 -30.666 1.00 24.14 C ATOM 438 C VAL A 28 28.174 1.683 -29.195 1.00 72.01 C ATOM 439 O VAL A 28 29.045 0.878 -28.861 1.00 14.41 O ATOM 440 CB VAL A 28 27.053 0.718 -31.205 1.00 50.21 C ATOM 441 CG1 VAL A 28 27.860 -0.564 -31.069 1.00 4.54 C ATOM 442 CG2 VAL A 28 25.719 0.598 -30.483 1.00 44.43 C ATOM 0 H VAL A 28 29.712 1.353 -31.449 1.00 3.05 H new ATOM 0 HA VAL A 28 27.247 2.822 -30.761 1.00 24.14 H new ATOM 0 HB VAL A 28 26.853 0.882 -32.264 1.00 50.21 H new ATOM 0 HG11 VAL A 28 27.279 -1.402 -31.455 1.00 4.54 H new ATOM 0 HG12 VAL A 28 28.786 -0.473 -31.636 1.00 4.54 H new ATOM 0 HG13 VAL A 28 28.093 -0.737 -30.018 1.00 4.54 H new ATOM 0 HG21 VAL A 28 25.168 -0.256 -30.876 1.00 44.43 H new ATOM 0 HG22 VAL A 28 25.894 0.457 -29.416 1.00 44.43 H new ATOM 0 HG23 VAL A 28 25.138 1.507 -30.638 1.00 44.43 H new ATOM 452 N VAL A 29 27.468 2.388 -28.318 1.00 62.35 N ATOM 453 CA VAL A 29 27.677 2.254 -26.882 1.00 73.41 C ATOM 454 C VAL A 29 26.389 1.848 -26.174 1.00 41.43 C ATOM 455 O VAL A 29 25.284 2.163 -26.614 1.00 63.42 O ATOM 456 CB VAL A 29 28.198 3.565 -26.266 1.00 24.34 C ATOM 457 CG1 VAL A 29 29.695 3.707 -26.496 1.00 32.35 C ATOM 458 CG2 VAL A 29 27.447 4.758 -26.839 1.00 63.42 C ATOM 0 H VAL A 29 26.745 3.059 -28.577 1.00 62.35 H new ATOM 0 HA VAL A 29 28.425 1.474 -26.743 1.00 73.41 H new ATOM 0 HB VAL A 29 28.022 3.535 -25.191 1.00 24.34 H new ATOM 0 HG11 VAL A 29 30.044 4.640 -26.053 1.00 32.35 H new ATOM 0 HG12 VAL A 29 30.215 2.868 -26.033 1.00 32.35 H new ATOM 0 HG13 VAL A 29 29.900 3.715 -27.567 1.00 32.35 H new ATOM 0 HG21 VAL A 29 27.828 5.676 -26.393 1.00 63.42 H new ATOM 0 HG22 VAL A 29 27.590 4.793 -27.919 1.00 63.42 H new ATOM 0 HG23 VAL A 29 26.384 4.660 -26.616 1.00 63.42 H new ATOM 468 N PRO A 30 26.534 1.133 -25.048 1.00 73.00 N ATOM 469 CA PRO A 30 25.392 0.669 -24.254 1.00 3.14 C ATOM 470 C PRO A 30 24.672 1.815 -23.551 1.00 71.14 C ATOM 471 O PRO A 30 25.280 2.833 -23.220 1.00 11.03 O ATOM 472 CB PRO A 30 26.031 -0.271 -23.229 1.00 20.11 C ATOM 473 CG PRO A 30 27.438 0.204 -23.106 1.00 44.03 C ATOM 474 CD PRO A 30 27.821 0.722 -24.464 1.00 41.22 C ATOM 0 HA PRO A 30 24.631 0.193 -24.873 1.00 3.14 H new ATOM 0 HB2 PRO A 30 25.512 -0.224 -22.272 1.00 20.11 H new ATOM 0 HB3 PRO A 30 25.991 -1.308 -23.563 1.00 20.11 H new ATOM 0 HG2 PRO A 30 27.521 0.987 -22.352 1.00 44.03 H new ATOM 0 HG3 PRO A 30 28.098 -0.607 -22.797 1.00 44.03 H new ATOM 0 HD2 PRO A 30 28.516 1.559 -24.393 1.00 41.22 H new ATOM 0 HD3 PRO A 30 28.308 -0.046 -25.065 1.00 41.22 H new ATOM 482 N ALA A 31 23.374 1.641 -23.322 1.00 53.34 N ATOM 483 CA ALA A 31 22.573 2.660 -22.655 1.00 43.44 C ATOM 484 C ALA A 31 21.519 2.025 -21.755 1.00 41.51 C ATOM 485 O ALA A 31 20.898 1.026 -22.115 1.00 52.01 O ATOM 486 CB ALA A 31 21.914 3.569 -23.681 1.00 11.05 C ATOM 0 H ALA A 31 22.855 0.804 -23.589 1.00 53.34 H new ATOM 0 HA ALA A 31 23.237 3.258 -22.030 1.00 43.44 H new ATOM 0 HB1 ALA A 31 21.319 4.325 -23.168 1.00 11.05 H new ATOM 0 HB2 ALA A 31 22.682 4.057 -24.281 1.00 11.05 H new ATOM 0 HB3 ALA A 31 21.268 2.977 -24.330 1.00 11.05 H new ATOM 492 N LYS A 32 21.321 2.612 -20.578 1.00 42.21 N ATOM 493 CA LYS A 32 20.342 2.105 -19.624 1.00 42.03 C ATOM 494 C LYS A 32 19.059 2.928 -19.674 1.00 53.43 C ATOM 495 O LYS A 32 19.093 4.155 -19.589 1.00 15.15 O ATOM 496 CB LYS A 32 20.921 2.127 -18.208 1.00 10.13 C ATOM 497 CG LYS A 32 19.896 1.827 -17.127 1.00 15.14 C ATOM 498 CD LYS A 32 20.540 1.188 -15.909 1.00 43.25 C ATOM 499 CE LYS A 32 19.686 1.373 -14.664 1.00 41.14 C ATOM 500 NZ LYS A 32 18.324 0.794 -14.835 1.00 23.12 N1+ ATOM 0 H LYS A 32 21.827 3.440 -20.263 1.00 42.21 H new ATOM 0 HA LYS A 32 20.104 1.077 -19.896 1.00 42.03 H new ATOM 0 HB2 LYS A 32 21.729 1.398 -18.143 1.00 10.13 H new ATOM 0 HB3 LYS A 32 21.360 3.107 -18.019 1.00 10.13 H new ATOM 0 HG2 LYS A 32 19.396 2.750 -16.833 1.00 15.14 H new ATOM 0 HG3 LYS A 32 19.130 1.162 -17.525 1.00 15.14 H new ATOM 0 HD2 LYS A 32 20.692 0.124 -16.092 1.00 43.25 H new ATOM 0 HD3 LYS A 32 21.524 1.627 -15.745 1.00 43.25 H new ATOM 0 HE2 LYS A 32 20.177 0.901 -13.813 1.00 41.14 H new ATOM 0 HE3 LYS A 32 19.603 2.435 -14.435 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 17.820 0.818 -13.926 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 17.796 1.350 -15.538 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 18.404 -0.190 -15.161 1.00 23.12 H new ATOM 514 N ALA A 33 17.927 2.244 -19.810 1.00 74.42 N ATOM 515 CA ALA A 33 16.633 2.911 -19.867 1.00 62.44 C ATOM 516 C ALA A 33 15.853 2.709 -18.573 1.00 33.43 C ATOM 517 O ALA A 33 15.498 1.584 -18.220 1.00 52.11 O ATOM 518 CB ALA A 33 15.829 2.403 -21.055 1.00 44.12 C ATOM 0 H ALA A 33 17.881 1.228 -19.883 1.00 74.42 H new ATOM 0 HA ALA A 33 16.809 3.980 -19.991 1.00 62.44 H new ATOM 0 HB1 ALA A 33 14.865 2.910 -21.085 1.00 44.12 H new ATOM 0 HB2 ALA A 33 16.374 2.606 -21.977 1.00 44.12 H new ATOM 0 HB3 ALA A 33 15.671 1.329 -20.955 1.00 44.12 H new ATOM 524 N VAL A 34 15.592 3.805 -17.867 1.00 63.33 N ATOM 525 CA VAL A 34 14.853 3.748 -16.611 1.00 45.44 C ATOM 526 C VAL A 34 13.379 4.072 -16.825 1.00 54.42 C ATOM 527 O VAL A 34 13.036 4.976 -17.587 1.00 75.20 O ATOM 528 CB VAL A 34 15.438 4.723 -15.572 1.00 12.22 C ATOM 529 CG1 VAL A 34 14.642 4.664 -14.278 1.00 2.34 C ATOM 530 CG2 VAL A 34 16.906 4.416 -15.320 1.00 72.31 C ATOM 0 H VAL A 34 15.881 4.743 -18.144 1.00 63.33 H new ATOM 0 HA VAL A 34 14.946 2.729 -16.234 1.00 45.44 H new ATOM 0 HB VAL A 34 15.366 5.736 -15.969 1.00 12.22 H new ATOM 0 HG11 VAL A 34 15.070 5.359 -13.556 1.00 2.34 H new ATOM 0 HG12 VAL A 34 13.606 4.938 -14.476 1.00 2.34 H new ATOM 0 HG13 VAL A 34 14.679 3.652 -13.874 1.00 2.34 H new ATOM 0 HG21 VAL A 34 17.303 5.115 -14.583 1.00 72.31 H new ATOM 0 HG22 VAL A 34 17.005 3.398 -14.944 1.00 72.31 H new ATOM 0 HG23 VAL A 34 17.464 4.515 -16.251 1.00 72.31 H new ATOM 540 N CYS A 35 12.512 3.329 -16.147 1.00 52.54 N ATOM 541 CA CYS A 35 11.073 3.537 -16.262 1.00 31.55 C ATOM 542 C CYS A 35 10.715 5.002 -16.030 1.00 12.13 C ATOM 543 O CYS A 35 10.833 5.512 -14.917 1.00 51.25 O ATOM 544 CB CYS A 35 10.327 2.654 -15.261 1.00 11.41 C ATOM 545 SG CYS A 35 10.968 2.746 -13.573 1.00 13.12 S ATOM 0 H CYS A 35 12.780 2.577 -15.512 1.00 52.54 H new ATOM 0 HA CYS A 35 10.771 3.263 -17.273 1.00 31.55 H new ATOM 0 HB2 CYS A 35 9.275 2.940 -15.255 1.00 11.41 H new ATOM 0 HB3 CYS A 35 10.374 1.619 -15.600 1.00 11.41 H new ATOM 0 HG CYS A 35 11.263 3.979 -13.287 1.00 13.12 H new ATOM 551 N GLY A 36 10.278 5.674 -17.092 1.00 33.13 N ATOM 552 CA GLY A 36 9.912 7.074 -16.984 1.00 22.01 C ATOM 553 C GLY A 36 11.001 7.999 -17.491 1.00 2.31 C ATOM 554 O GLY A 36 10.965 9.204 -17.243 1.00 12.12 O ATOM 0 H GLY A 36 10.171 5.274 -18.024 1.00 33.13 H new ATOM 0 HA2 GLY A 36 8.997 7.252 -17.549 1.00 22.01 H new ATOM 0 HA3 GLY A 36 9.695 7.310 -15.942 1.00 22.01 H new ATOM 558 N SER A 37 11.971 7.434 -18.202 1.00 14.13 N ATOM 559 CA SER A 37 13.078 8.215 -18.740 1.00 31.10 C ATOM 560 C SER A 37 12.875 8.492 -20.226 1.00 73.20 C ATOM 561 O SER A 37 11.803 8.241 -20.776 1.00 73.03 O ATOM 562 CB SER A 37 14.402 7.480 -18.523 1.00 61.42 C ATOM 563 OG SER A 37 14.467 6.302 -19.309 1.00 54.42 O ATOM 0 H SER A 37 12.013 6.438 -18.419 1.00 14.13 H new ATOM 0 HA SER A 37 13.109 9.168 -18.211 1.00 31.10 H new ATOM 0 HB2 SER A 37 15.233 8.138 -18.779 1.00 61.42 H new ATOM 0 HB3 SER A 37 14.511 7.224 -17.469 1.00 61.42 H new ATOM 0 HG SER A 37 14.042 5.563 -18.826 1.00 54.42 H new ATOM 569 N THR A 38 13.915 9.012 -20.872 1.00 25.44 N ATOM 570 CA THR A 38 13.852 9.325 -22.295 1.00 13.34 C ATOM 571 C THR A 38 15.207 9.121 -22.963 1.00 44.22 C ATOM 572 O THR A 38 16.250 9.397 -22.370 1.00 73.14 O ATOM 573 CB THR A 38 13.388 10.774 -22.531 1.00 44.44 C ATOM 574 OG1 THR A 38 13.183 11.433 -21.276 1.00 11.42 O ATOM 575 CG2 THR A 38 12.102 10.806 -23.342 1.00 11.40 C ATOM 0 H THR A 38 14.810 9.225 -20.432 1.00 25.44 H new ATOM 0 HA THR A 38 13.126 8.643 -22.737 1.00 13.34 H new ATOM 0 HB THR A 38 14.165 11.294 -23.092 1.00 44.44 H new ATOM 0 HG1 THR A 38 12.890 12.355 -21.434 1.00 11.42 H new ATOM 0 HG21 THR A 38 11.794 11.840 -23.496 1.00 11.40 H new ATOM 0 HG22 THR A 38 12.269 10.330 -24.308 1.00 11.40 H new ATOM 0 HG23 THR A 38 11.319 10.271 -22.804 1.00 11.40 H new ATOM 583 N VAL A 39 15.185 8.638 -24.201 1.00 70.42 N ATOM 584 CA VAL A 39 16.412 8.400 -24.951 1.00 33.14 C ATOM 585 C VAL A 39 17.295 9.643 -24.969 1.00 42.12 C ATOM 586 O VAL A 39 18.437 9.614 -24.510 1.00 10.21 O ATOM 587 CB VAL A 39 16.111 7.975 -26.400 1.00 65.42 C ATOM 588 CG1 VAL A 39 17.395 7.602 -27.125 1.00 4.01 C ATOM 589 CG2 VAL A 39 15.121 6.820 -26.422 1.00 35.23 C ATOM 0 H VAL A 39 14.330 8.404 -24.706 1.00 70.42 H new ATOM 0 HA VAL A 39 16.940 7.591 -24.446 1.00 33.14 H new ATOM 0 HB VAL A 39 15.660 8.819 -26.922 1.00 65.42 H new ATOM 0 HG11 VAL A 39 17.162 7.304 -28.147 1.00 4.01 H new ATOM 0 HG12 VAL A 39 18.066 8.461 -27.141 1.00 4.01 H new ATOM 0 HG13 VAL A 39 17.878 6.773 -26.607 1.00 4.01 H new ATOM 0 HG21 VAL A 39 14.920 6.533 -27.454 1.00 35.23 H new ATOM 0 HG22 VAL A 39 15.541 5.970 -25.884 1.00 35.23 H new ATOM 0 HG23 VAL A 39 14.191 7.128 -25.944 1.00 35.23 H new ATOM 599 N LEU A 40 16.759 10.735 -25.503 1.00 4.40 N ATOM 600 CA LEU A 40 17.497 11.990 -25.582 1.00 4.13 C ATOM 601 C LEU A 40 18.036 12.392 -24.213 1.00 3.52 C ATOM 602 O LEU A 40 19.126 12.952 -24.103 1.00 65.40 O ATOM 603 CB LEU A 40 16.599 13.098 -26.135 1.00 11.34 C ATOM 604 CG LEU A 40 15.639 12.690 -27.252 1.00 34.30 C ATOM 605 CD1 LEU A 40 14.982 13.917 -27.867 1.00 31.55 C ATOM 606 CD2 LEU A 40 16.373 11.886 -28.318 1.00 22.30 C ATOM 0 H LEU A 40 15.815 10.776 -25.888 1.00 4.40 H new ATOM 0 HA LEU A 40 18.341 11.845 -26.256 1.00 4.13 H new ATOM 0 HB2 LEU A 40 16.014 13.508 -25.312 1.00 11.34 H new ATOM 0 HB3 LEU A 40 17.235 13.902 -26.506 1.00 11.34 H new ATOM 0 HG LEU A 40 14.858 12.062 -26.823 1.00 34.30 H new ATOM 0 HD11 LEU A 40 14.302 13.607 -28.660 1.00 31.55 H new ATOM 0 HD12 LEU A 40 14.424 14.454 -27.100 1.00 31.55 H new ATOM 0 HD13 LEU A 40 15.749 14.571 -28.282 1.00 31.55 H new ATOM 0 HD21 LEU A 40 15.675 11.604 -29.106 1.00 22.30 H new ATOM 0 HD22 LEU A 40 17.174 12.491 -28.743 1.00 22.30 H new ATOM 0 HD23 LEU A 40 16.796 10.987 -27.869 1.00 22.30 H new ATOM 618 N ASP A 41 17.264 12.101 -23.170 1.00 72.45 N ATOM 619 CA ASP A 41 17.665 12.428 -21.807 1.00 42.14 C ATOM 620 C ASP A 41 18.782 11.505 -21.332 1.00 25.23 C ATOM 621 O ASP A 41 19.590 11.876 -20.482 1.00 10.41 O ATOM 622 CB ASP A 41 16.466 12.328 -20.863 1.00 13.44 C ATOM 623 CG ASP A 41 15.409 13.373 -21.155 1.00 24.42 C ATOM 624 OD1 ASP A 41 14.602 13.673 -20.249 1.00 41.20 O ATOM 625 OD2 ASP A 41 15.387 13.892 -22.291 1.00 64.23 O1- ATOM 0 H ASP A 41 16.357 11.639 -23.243 1.00 72.45 H new ATOM 0 HA ASP A 41 18.039 13.452 -21.800 1.00 42.14 H new ATOM 0 HB2 ASP A 41 16.024 11.335 -20.947 1.00 13.44 H new ATOM 0 HB3 ASP A 41 16.808 12.439 -19.834 1.00 13.44 H new ATOM 630 N VAL A 42 18.821 10.297 -21.888 1.00 2.11 N ATOM 631 CA VAL A 42 19.839 9.319 -21.521 1.00 13.25 C ATOM 632 C VAL A 42 21.179 9.653 -22.167 1.00 11.24 C ATOM 633 O VAL A 42 22.235 9.440 -21.573 1.00 54.34 O ATOM 634 CB VAL A 42 19.423 7.895 -21.933 1.00 43.20 C ATOM 635 CG1 VAL A 42 20.527 6.902 -21.609 1.00 3.53 C ATOM 636 CG2 VAL A 42 18.122 7.501 -21.249 1.00 61.21 C ATOM 0 H VAL A 42 18.160 9.973 -22.594 1.00 2.11 H new ATOM 0 HA VAL A 42 19.942 9.360 -20.437 1.00 13.25 H new ATOM 0 HB VAL A 42 19.259 7.880 -23.010 1.00 43.20 H new ATOM 0 HG11 VAL A 42 20.215 5.901 -21.907 1.00 3.53 H new ATOM 0 HG12 VAL A 42 21.433 7.176 -22.150 1.00 3.53 H new ATOM 0 HG13 VAL A 42 20.726 6.916 -20.537 1.00 3.53 H new ATOM 0 HG21 VAL A 42 17.843 6.492 -21.552 1.00 61.21 H new ATOM 0 HG22 VAL A 42 18.256 7.532 -20.168 1.00 61.21 H new ATOM 0 HG23 VAL A 42 17.334 8.197 -21.537 1.00 61.21 H new ATOM 646 N ALA A 43 21.127 10.177 -23.388 1.00 21.42 N ATOM 647 CA ALA A 43 22.337 10.541 -24.114 1.00 20.42 C ATOM 648 C ALA A 43 23.206 11.488 -23.294 1.00 42.52 C ATOM 649 O ALA A 43 24.422 11.547 -23.476 1.00 14.32 O ATOM 650 CB ALA A 43 21.979 11.176 -25.450 1.00 62.22 C ATOM 0 H ALA A 43 20.260 10.359 -23.894 1.00 21.42 H new ATOM 0 HA ALA A 43 22.909 9.631 -24.297 1.00 20.42 H new ATOM 0 HB1 ALA A 43 22.892 11.443 -25.982 1.00 62.22 H new ATOM 0 HB2 ALA A 43 21.405 10.468 -26.047 1.00 62.22 H new ATOM 0 HB3 ALA A 43 21.383 12.073 -25.279 1.00 62.22 H new ATOM 656 N HIS A 44 22.573 12.231 -22.390 1.00 12.51 N ATOM 657 CA HIS A 44 23.289 13.176 -21.540 1.00 50.24 C ATOM 658 C HIS A 44 24.210 12.444 -20.569 1.00 54.31 C ATOM 659 O HIS A 44 25.275 12.946 -20.209 1.00 12.45 O ATOM 660 CB HIS A 44 22.301 14.048 -20.766 1.00 75.20 C ATOM 661 CG HIS A 44 22.956 14.962 -19.776 1.00 61.53 C ATOM 662 ND1 HIS A 44 22.578 15.031 -18.451 1.00 44.12 N ATOM 663 CD2 HIS A 44 23.971 15.845 -19.923 1.00 13.23 C ATOM 664 CE1 HIS A 44 23.332 15.919 -17.827 1.00 32.52 C ATOM 665 NE2 HIS A 44 24.185 16.427 -18.698 1.00 53.52 N ATOM 0 H HIS A 44 21.567 12.197 -22.228 1.00 12.51 H new ATOM 0 HA HIS A 44 23.899 13.813 -22.181 1.00 50.24 H new ATOM 0 HB2 HIS A 44 21.725 14.645 -21.473 1.00 75.20 H new ATOM 0 HB3 HIS A 44 21.594 13.404 -20.242 1.00 75.20 H new ATOM 0 HD2 HIS A 44 24.512 16.053 -20.834 1.00 13.23 H new ATOM 0 HE1 HIS A 44 23.262 16.184 -16.782 1.00 32.52 H new ATOM 0 HE2 HIS A 44 24.889 17.137 -18.494 1.00 53.52 H new ATOM 673 N LYS A 45 23.792 11.255 -20.147 1.00 13.22 N ATOM 674 CA LYS A 45 24.578 10.453 -19.218 1.00 44.10 C ATOM 675 C LYS A 45 25.515 9.513 -19.969 1.00 71.53 C ATOM 676 O LYS A 45 26.629 9.242 -19.520 1.00 73.03 O ATOM 677 CB LYS A 45 23.655 9.646 -18.302 1.00 74.53 C ATOM 678 CG LYS A 45 22.490 10.450 -17.750 1.00 40.45 C ATOM 679 CD LYS A 45 21.160 9.938 -18.277 1.00 63.15 C ATOM 680 CE LYS A 45 20.096 9.932 -17.191 1.00 32.12 C ATOM 681 NZ LYS A 45 18.722 10.006 -17.761 1.00 61.40 N1+ ATOM 0 H LYS A 45 22.912 10.826 -20.434 1.00 13.22 H new ATOM 0 HA LYS A 45 25.180 11.130 -18.612 1.00 44.10 H new ATOM 0 HB2 LYS A 45 23.266 8.791 -18.855 1.00 74.53 H new ATOM 0 HB3 LYS A 45 24.238 9.250 -17.471 1.00 74.53 H new ATOM 0 HG2 LYS A 45 22.495 10.399 -16.661 1.00 40.45 H new ATOM 0 HG3 LYS A 45 22.610 11.499 -18.020 1.00 40.45 H new ATOM 0 HD2 LYS A 45 20.831 10.564 -19.107 1.00 63.15 H new ATOM 0 HD3 LYS A 45 21.287 8.929 -18.669 1.00 63.15 H new ATOM 0 HE2 LYS A 45 20.193 9.026 -16.593 1.00 32.12 H new ATOM 0 HE3 LYS A 45 20.257 10.776 -16.520 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 18.025 10.000 -16.989 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 18.621 10.883 -18.311 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 18.559 9.187 -18.381 1.00 61.40 H new ATOM 695 N ASN A 46 25.057 9.018 -21.115 1.00 44.51 N ATOM 696 CA ASN A 46 25.856 8.110 -21.928 1.00 43.23 C ATOM 697 C ASN A 46 26.960 8.864 -22.663 1.00 15.11 C ATOM 698 O ASN A 46 27.984 8.287 -23.026 1.00 20.00 O ATOM 699 CB ASN A 46 24.966 7.378 -22.935 1.00 55.02 C ATOM 700 CG ASN A 46 24.424 6.072 -22.385 1.00 74.42 C ATOM 701 OD1 ASN A 46 23.218 5.824 -22.418 1.00 22.42 O ATOM 702 ND2 ASN A 46 25.315 5.229 -21.875 1.00 50.43 N ATOM 0 H ASN A 46 24.137 9.231 -21.501 1.00 44.51 H new ATOM 0 HA ASN A 46 26.320 7.381 -21.264 1.00 43.23 H new ATOM 0 HB2 ASN A 46 24.134 8.023 -23.217 1.00 55.02 H new ATOM 0 HB3 ASN A 46 25.536 7.178 -23.842 1.00 55.02 H new ATOM 0 HD21 ASN A 46 25.009 4.335 -21.490 1.00 50.43 H new ATOM 0 HD22 ASN A 46 26.305 5.476 -21.868 1.00 50.43 H new ATOM 709 N GLY A 47 26.744 10.158 -22.878 1.00 71.54 N ATOM 710 CA GLY A 47 27.728 10.970 -23.568 1.00 65.12 C ATOM 711 C GLY A 47 27.544 10.952 -25.072 1.00 62.25 C ATOM 712 O GLY A 47 28.152 11.747 -25.789 1.00 22.30 O ATOM 0 H GLY A 47 25.904 10.658 -22.586 1.00 71.54 H new ATOM 0 HA2 GLY A 47 27.662 11.997 -23.210 1.00 65.12 H new ATOM 0 HA3 GLY A 47 28.727 10.610 -23.323 1.00 65.12 H new ATOM 716 N VAL A 48 26.703 10.041 -25.553 1.00 31.22 N ATOM 717 CA VAL A 48 26.441 9.923 -26.982 1.00 41.02 C ATOM 718 C VAL A 48 26.067 11.271 -27.587 1.00 3.44 C ATOM 719 O VAL A 48 25.316 12.043 -26.990 1.00 22.32 O ATOM 720 CB VAL A 48 25.311 8.914 -27.263 1.00 34.34 C ATOM 721 CG1 VAL A 48 25.021 8.839 -28.754 1.00 23.24 C ATOM 722 CG2 VAL A 48 25.670 7.544 -26.711 1.00 32.44 C ATOM 0 H VAL A 48 26.192 9.375 -24.974 1.00 31.22 H new ATOM 0 HA VAL A 48 27.361 9.565 -27.444 1.00 41.02 H new ATOM 0 HB VAL A 48 24.408 9.257 -26.759 1.00 34.34 H new ATOM 0 HG11 VAL A 48 24.220 8.121 -28.933 1.00 23.24 H new ATOM 0 HG12 VAL A 48 24.716 9.821 -29.115 1.00 23.24 H new ATOM 0 HG13 VAL A 48 25.919 8.521 -29.284 1.00 23.24 H new ATOM 0 HG21 VAL A 48 24.860 6.844 -26.919 1.00 32.44 H new ATOM 0 HG22 VAL A 48 26.586 7.190 -27.184 1.00 32.44 H new ATOM 0 HG23 VAL A 48 25.822 7.614 -25.634 1.00 32.44 H new ATOM 732 N ASP A 49 26.594 11.547 -28.774 1.00 40.14 N ATOM 733 CA ASP A 49 26.314 12.803 -29.461 1.00 14.22 C ATOM 734 C ASP A 49 24.895 12.811 -30.021 1.00 34.02 C ATOM 735 O ASP A 49 24.683 12.558 -31.207 1.00 75.21 O ATOM 736 CB ASP A 49 27.322 13.027 -30.590 1.00 52.55 C ATOM 737 CG ASP A 49 26.988 14.243 -31.431 1.00 23.12 C ATOM 738 OD1 ASP A 49 27.170 15.376 -30.937 1.00 1.55 O ATOM 739 OD2 ASP A 49 26.545 14.062 -32.585 1.00 61.21 O1- ATOM 0 H ASP A 49 27.217 10.919 -29.281 1.00 40.14 H new ATOM 0 HA ASP A 49 26.405 13.613 -28.737 1.00 14.22 H new ATOM 0 HB2 ASP A 49 28.319 13.145 -30.165 1.00 52.55 H new ATOM 0 HB3 ASP A 49 27.350 12.144 -31.228 1.00 52.55 H new ATOM 744 N LEU A 50 23.926 13.102 -29.160 1.00 12.10 N ATOM 745 CA LEU A 50 22.526 13.143 -29.568 1.00 14.20 C ATOM 746 C LEU A 50 21.882 14.468 -29.172 1.00 31.24 C ATOM 747 O LEU A 50 22.192 15.031 -28.123 1.00 24.23 O ATOM 748 CB LEU A 50 21.758 11.980 -28.938 1.00 11.15 C ATOM 749 CG LEU A 50 20.295 11.836 -29.360 1.00 12.15 C ATOM 750 CD1 LEU A 50 20.179 11.799 -30.877 1.00 70.43 C ATOM 751 CD2 LEU A 50 19.683 10.584 -28.747 1.00 5.33 C ATOM 0 H LEU A 50 24.084 13.313 -28.175 1.00 12.10 H new ATOM 0 HA LEU A 50 22.486 13.052 -30.653 1.00 14.20 H new ATOM 0 HB2 LEU A 50 22.278 11.053 -29.180 1.00 11.15 H new ATOM 0 HB3 LEU A 50 21.794 12.092 -27.854 1.00 11.15 H new ATOM 0 HG LEU A 50 19.744 12.702 -28.994 1.00 12.15 H new ATOM 0 HD11 LEU A 50 19.131 11.696 -31.159 1.00 70.43 H new ATOM 0 HD12 LEU A 50 20.579 12.723 -31.295 1.00 70.43 H new ATOM 0 HD13 LEU A 50 20.744 10.951 -31.265 1.00 70.43 H new ATOM 0 HD21 LEU A 50 18.642 10.498 -29.058 1.00 5.33 H new ATOM 0 HD22 LEU A 50 20.236 9.707 -29.083 1.00 5.33 H new ATOM 0 HD23 LEU A 50 19.733 10.650 -27.660 1.00 5.33 H new ATOM 763 N GLU A 51 20.981 14.958 -30.018 1.00 42.03 N ATOM 764 CA GLU A 51 20.292 16.216 -29.755 1.00 10.23 C ATOM 765 C GLU A 51 19.619 16.191 -28.385 1.00 13.54 C ATOM 766 O GLU A 51 19.109 15.159 -27.950 1.00 53.10 O ATOM 767 CB GLU A 51 19.250 16.489 -30.841 1.00 31.11 C ATOM 768 CG GLU A 51 18.277 15.342 -31.054 1.00 52.24 C ATOM 769 CD GLU A 51 16.929 15.809 -31.570 1.00 43.15 C ATOM 770 OE1 GLU A 51 16.799 17.010 -31.885 1.00 1.52 O ATOM 771 OE2 GLU A 51 16.005 14.974 -31.657 1.00 52.23 O1- ATOM 0 H GLU A 51 20.711 14.503 -30.890 1.00 42.03 H new ATOM 0 HA GLU A 51 21.033 17.015 -29.763 1.00 10.23 H new ATOM 0 HB2 GLU A 51 18.689 17.386 -30.577 1.00 31.11 H new ATOM 0 HB3 GLU A 51 19.763 16.698 -31.780 1.00 31.11 H new ATOM 0 HG2 GLU A 51 18.707 14.632 -31.761 1.00 52.24 H new ATOM 0 HG3 GLU A 51 18.137 14.809 -30.113 1.00 52.24 H new ATOM 778 N GLY A 52 19.624 17.336 -27.709 1.00 12.13 N ATOM 779 CA GLY A 52 19.013 17.425 -26.396 1.00 24.25 C ATOM 780 C GLY A 52 18.082 18.614 -26.269 1.00 2.30 C ATOM 781 O GLY A 52 16.992 18.500 -25.709 1.00 4.31 O ATOM 0 H GLY A 52 20.040 18.203 -28.047 1.00 12.13 H new ATOM 0 HA2 GLY A 52 18.457 16.509 -26.195 1.00 24.25 H new ATOM 0 HA3 GLY A 52 19.794 17.497 -25.639 1.00 24.25 H new ATOM 785 N ALA A 53 18.513 19.759 -26.788 1.00 52.12 N ATOM 786 CA ALA A 53 17.710 20.975 -26.731 1.00 33.42 C ATOM 787 C ALA A 53 17.277 21.413 -28.125 1.00 10.05 C ATOM 788 O ALA A 53 18.110 21.638 -29.003 1.00 55.30 O ATOM 789 CB ALA A 53 18.486 22.087 -26.042 1.00 50.15 C ATOM 0 H ALA A 53 19.414 19.870 -27.253 1.00 52.12 H new ATOM 0 HA ALA A 53 16.812 20.761 -26.152 1.00 33.42 H new ATOM 0 HB1 ALA A 53 17.875 22.989 -26.006 1.00 50.15 H new ATOM 0 HB2 ALA A 53 18.739 21.780 -25.027 1.00 50.15 H new ATOM 0 HB3 ALA A 53 19.401 22.291 -26.598 1.00 50.15 H new ATOM 795 N CYS A 54 15.968 21.531 -28.324 1.00 34.24 N ATOM 796 CA CYS A 54 15.424 21.942 -29.612 1.00 31.12 C ATOM 797 C CYS A 54 16.035 23.265 -30.064 1.00 14.45 C ATOM 798 O CYS A 54 16.646 23.345 -31.130 1.00 72.33 O ATOM 799 CB CYS A 54 13.902 22.073 -29.528 1.00 13.14 C ATOM 800 SG CYS A 54 13.053 21.937 -31.134 1.00 52.32 S ATOM 0 H CYS A 54 15.264 21.347 -27.609 1.00 34.24 H new ATOM 0 HA CYS A 54 15.676 21.176 -30.346 1.00 31.12 H new ATOM 0 HB2 CYS A 54 13.518 21.302 -28.860 1.00 13.14 H new ATOM 0 HB3 CYS A 54 13.655 23.035 -29.079 1.00 13.14 H new ATOM 805 N GLU A 55 15.867 24.299 -29.246 1.00 44.31 N ATOM 806 CA GLU A 55 16.401 25.618 -29.563 1.00 23.53 C ATOM 807 C GLU A 55 17.887 25.536 -29.898 1.00 64.25 C ATOM 808 O GLU A 55 18.666 24.922 -29.171 1.00 31.55 O ATOM 809 CB GLU A 55 16.183 26.576 -28.390 1.00 10.53 C ATOM 810 CG GLU A 55 17.024 26.245 -27.169 1.00 5.40 C ATOM 811 CD GLU A 55 16.407 26.751 -25.880 1.00 64.45 C ATOM 812 OE1 GLU A 55 16.797 26.257 -24.802 1.00 45.22 O ATOM 813 OE2 GLU A 55 15.533 27.641 -25.950 1.00 62.34 O1- ATOM 0 H GLU A 55 15.366 24.249 -28.359 1.00 44.31 H new ATOM 0 HA GLU A 55 15.870 25.998 -30.436 1.00 23.53 H new ATOM 0 HB2 GLU A 55 16.412 27.591 -28.714 1.00 10.53 H new ATOM 0 HB3 GLU A 55 15.130 26.560 -28.110 1.00 10.53 H new ATOM 0 HG2 GLU A 55 17.155 25.165 -27.105 1.00 5.40 H new ATOM 0 HG3 GLU A 55 18.016 26.680 -27.287 1.00 5.40 H new ATOM 820 N GLY A 56 18.273 26.161 -31.007 1.00 75.32 N ATOM 821 CA GLY A 56 19.665 26.147 -31.420 1.00 1.23 C ATOM 822 C GLY A 56 20.058 27.401 -32.174 1.00 63.33 C ATOM 823 O GLY A 56 19.709 28.511 -31.771 1.00 13.22 O ATOM 0 H GLY A 56 17.647 26.676 -31.626 1.00 75.32 H new ATOM 0 HA2 GLY A 56 20.301 26.041 -30.541 1.00 1.23 H new ATOM 0 HA3 GLY A 56 19.845 25.276 -32.050 1.00 1.23 H new ATOM 827 N ASN A 57 20.790 27.226 -33.270 1.00 3.24 N ATOM 828 CA ASN A 57 21.234 28.355 -34.080 1.00 41.34 C ATOM 829 C ASN A 57 20.464 28.415 -35.397 1.00 5.42 C ATOM 830 O ASN A 57 19.976 29.473 -35.795 1.00 72.25 O ATOM 831 CB ASN A 57 22.735 28.251 -34.358 1.00 73.33 C ATOM 832 CG ASN A 57 23.357 29.596 -34.678 1.00 30.11 C ATOM 833 OD1 ASN A 57 22.761 30.420 -35.371 1.00 73.05 O ATOM 834 ND2 ASN A 57 24.564 29.824 -34.173 1.00 42.23 N ATOM 0 H ASN A 57 21.088 26.314 -33.617 1.00 3.24 H new ATOM 0 HA ASN A 57 21.037 29.271 -33.522 1.00 41.34 H new ATOM 0 HB2 ASN A 57 23.234 27.820 -33.490 1.00 73.33 H new ATOM 0 HB3 ASN A 57 22.901 27.569 -35.192 1.00 73.33 H new ATOM 0 HD21 ASN A 57 25.034 30.711 -34.355 1.00 42.23 H new ATOM 0 HD22 ASN A 57 25.021 29.112 -33.603 1.00 42.23 H new ATOM 841 N LEU A 58 20.359 27.273 -36.067 1.00 4.42 N ATOM 842 CA LEU A 58 19.649 27.194 -37.339 1.00 41.34 C ATOM 843 C LEU A 58 18.340 26.428 -37.184 1.00 13.11 C ATOM 844 O LEU A 58 18.022 25.933 -36.104 1.00 5.40 O ATOM 845 CB LEU A 58 20.526 26.520 -38.394 1.00 23.44 C ATOM 846 CG LEU A 58 21.380 25.348 -37.909 1.00 3.22 C ATOM 847 CD1 LEU A 58 20.498 24.178 -37.502 1.00 33.31 C ATOM 848 CD2 LEU A 58 22.366 24.923 -38.987 1.00 72.14 C ATOM 0 H LEU A 58 20.757 26.389 -35.751 1.00 4.42 H new ATOM 0 HA LEU A 58 19.419 28.209 -37.662 1.00 41.34 H new ATOM 0 HB2 LEU A 58 19.883 26.166 -39.200 1.00 23.44 H new ATOM 0 HB3 LEU A 58 21.188 27.273 -38.822 1.00 23.44 H new ATOM 0 HG LEU A 58 21.945 25.673 -37.036 1.00 3.22 H new ATOM 0 HD11 LEU A 58 21.123 23.353 -37.160 1.00 33.31 H new ATOM 0 HD12 LEU A 58 19.832 24.487 -36.696 1.00 33.31 H new ATOM 0 HD13 LEU A 58 19.906 23.854 -38.358 1.00 33.31 H new ATOM 0 HD21 LEU A 58 22.965 24.088 -38.624 1.00 72.14 H new ATOM 0 HD22 LEU A 58 21.820 24.617 -39.879 1.00 72.14 H new ATOM 0 HD23 LEU A 58 23.021 25.760 -39.232 1.00 72.14 H new ATOM 860 N ALA A 59 17.584 26.333 -38.273 1.00 41.33 N ATOM 861 CA ALA A 59 16.311 25.624 -38.260 1.00 2.32 C ATOM 862 C ALA A 59 16.479 24.204 -37.728 1.00 51.33 C ATOM 863 O ALA A 59 17.588 23.671 -37.693 1.00 34.41 O ATOM 864 CB ALA A 59 15.706 25.597 -39.656 1.00 14.22 C ATOM 0 H ALA A 59 17.832 26.738 -39.176 1.00 41.33 H new ATOM 0 HA ALA A 59 15.634 26.158 -37.593 1.00 2.32 H new ATOM 0 HB1 ALA A 59 14.756 25.064 -39.630 1.00 14.22 H new ATOM 0 HB2 ALA A 59 15.541 26.618 -40.001 1.00 14.22 H new ATOM 0 HB3 ALA A 59 16.388 25.090 -40.338 1.00 14.22 H new ATOM 870 N CYS A 60 15.371 23.597 -37.314 1.00 2.12 N ATOM 871 CA CYS A 60 15.395 22.240 -36.783 1.00 54.43 C ATOM 872 C CYS A 60 15.747 21.234 -37.875 1.00 5.00 C ATOM 873 O CYS A 60 14.926 20.929 -38.740 1.00 74.54 O ATOM 874 CB CYS A 60 14.040 21.887 -36.165 1.00 24.54 C ATOM 875 SG CYS A 60 13.706 22.720 -34.581 1.00 11.23 S ATOM 0 H CYS A 60 14.445 24.024 -37.336 1.00 2.12 H new ATOM 0 HA CYS A 60 16.162 22.193 -36.010 1.00 54.43 H new ATOM 0 HB2 CYS A 60 13.252 22.145 -36.872 1.00 24.54 H new ATOM 0 HB3 CYS A 60 13.992 20.809 -36.013 1.00 24.54 H new ATOM 880 N SER A 61 16.972 20.723 -37.829 1.00 41.10 N ATOM 881 CA SER A 61 17.434 19.754 -38.816 1.00 5.01 C ATOM 882 C SER A 61 17.728 18.408 -38.159 1.00 10.13 C ATOM 883 O SER A 61 17.653 17.361 -38.803 1.00 62.51 O ATOM 884 CB SER A 61 18.688 20.273 -39.523 1.00 20.22 C ATOM 885 OG SER A 61 18.794 19.738 -40.831 1.00 65.32 O ATOM 0 H SER A 61 17.663 20.964 -37.119 1.00 41.10 H new ATOM 0 HA SER A 61 16.642 19.615 -39.551 1.00 5.01 H new ATOM 0 HB2 SER A 61 18.657 21.361 -39.573 1.00 20.22 H new ATOM 0 HB3 SER A 61 19.572 20.006 -38.945 1.00 20.22 H new ATOM 0 HG SER A 61 19.602 20.086 -41.262 1.00 65.32 H new ATOM 891 N THR A 62 18.064 18.444 -36.874 1.00 5.34 N ATOM 892 CA THR A 62 18.369 17.228 -36.129 1.00 25.42 C ATOM 893 C THR A 62 17.096 16.547 -35.642 1.00 13.55 C ATOM 894 O THR A 62 16.779 16.578 -34.452 1.00 62.32 O ATOM 895 CB THR A 62 19.275 17.524 -34.920 1.00 15.43 C ATOM 896 OG1 THR A 62 20.333 18.410 -35.304 1.00 10.45 O ATOM 897 CG2 THR A 62 19.863 16.239 -34.357 1.00 33.53 C ATOM 0 H THR A 62 18.132 19.302 -36.327 1.00 5.34 H new ATOM 0 HA THR A 62 18.894 16.561 -36.813 1.00 25.42 H new ATOM 0 HB THR A 62 18.668 17.997 -34.148 1.00 15.43 H new ATOM 0 HG1 THR A 62 20.903 18.594 -34.529 1.00 10.45 H new ATOM 0 HG21 THR A 62 20.499 16.473 -33.504 1.00 33.53 H new ATOM 0 HG22 THR A 62 19.056 15.579 -34.038 1.00 33.53 H new ATOM 0 HG23 THR A 62 20.455 15.742 -35.126 1.00 33.53 H new ATOM 905 N CYS A 63 16.369 15.931 -36.567 1.00 12.42 N ATOM 906 CA CYS A 63 15.129 15.240 -36.232 1.00 3.52 C ATOM 907 C CYS A 63 15.106 13.839 -36.838 1.00 2.45 C ATOM 908 O CYS A 63 14.770 12.865 -36.162 1.00 4.13 O ATOM 909 CB CYS A 63 13.924 16.041 -36.729 1.00 25.53 C ATOM 910 SG CYS A 63 13.465 17.438 -35.653 1.00 22.10 S ATOM 0 H CYS A 63 16.617 15.896 -37.556 1.00 12.42 H new ATOM 0 HA CYS A 63 15.075 15.149 -35.147 1.00 3.52 H new ATOM 0 HB2 CYS A 63 14.141 16.421 -37.727 1.00 25.53 H new ATOM 0 HB3 CYS A 63 13.069 15.371 -36.821 1.00 25.53 H new ATOM 915 N HIS A 64 15.468 13.745 -38.113 1.00 63.44 N ATOM 916 CA HIS A 64 15.489 12.464 -38.809 1.00 3.42 C ATOM 917 C HIS A 64 16.637 11.592 -38.308 1.00 30.22 C ATOM 918 O HIS A 64 17.807 11.898 -38.536 1.00 61.33 O ATOM 919 CB HIS A 64 15.619 12.680 -40.317 1.00 52.43 C ATOM 920 CG HIS A 64 14.597 13.622 -40.877 1.00 13.30 C ATOM 921 ND1 HIS A 64 13.330 13.757 -40.352 1.00 62.35 N ATOM 922 CD2 HIS A 64 14.663 14.480 -41.922 1.00 65.44 C ATOM 923 CE1 HIS A 64 12.660 14.656 -41.050 1.00 13.15 C ATOM 924 NE2 HIS A 64 13.446 15.110 -42.009 1.00 23.12 N ATOM 0 H HIS A 64 15.751 14.541 -38.685 1.00 63.44 H new ATOM 0 HA HIS A 64 14.549 11.952 -38.603 1.00 3.42 H new ATOM 0 HB2 HIS A 64 16.615 13.065 -40.536 1.00 52.43 H new ATOM 0 HB3 HIS A 64 15.531 11.718 -40.823 1.00 52.43 H new ATOM 0 HD2 HIS A 64 15.514 14.639 -42.567 1.00 65.44 H new ATOM 0 HE1 HIS A 64 11.642 14.967 -40.867 1.00 13.15 H new ATOM 0 HE2 HIS A 64 13.191 15.814 -42.702 1.00 23.12 H new ATOM 932 N VAL A 65 16.294 10.505 -37.623 1.00 61.11 N ATOM 933 CA VAL A 65 17.294 9.590 -37.090 1.00 32.34 C ATOM 934 C VAL A 65 16.996 8.152 -37.495 1.00 22.50 C ATOM 935 O VAL A 65 15.854 7.809 -37.807 1.00 34.33 O ATOM 936 CB VAL A 65 17.370 9.675 -35.554 1.00 11.13 C ATOM 937 CG1 VAL A 65 18.624 8.981 -35.042 1.00 72.25 C ATOM 938 CG2 VAL A 65 17.329 11.125 -35.096 1.00 23.01 C ATOM 0 H VAL A 65 15.330 10.238 -37.425 1.00 61.11 H new ATOM 0 HA VAL A 65 18.254 9.890 -37.511 1.00 32.34 H new ATOM 0 HB VAL A 65 16.503 9.162 -35.137 1.00 11.13 H new ATOM 0 HG11 VAL A 65 18.661 9.051 -33.955 1.00 72.25 H new ATOM 0 HG12 VAL A 65 18.606 7.932 -35.337 1.00 72.25 H new ATOM 0 HG13 VAL A 65 19.505 9.462 -35.467 1.00 72.25 H new ATOM 0 HG21 VAL A 65 17.384 11.165 -34.008 1.00 23.01 H new ATOM 0 HG22 VAL A 65 18.175 11.665 -35.522 1.00 23.01 H new ATOM 0 HG23 VAL A 65 16.399 11.586 -35.430 1.00 23.01 H new ATOM 948 N ILE A 66 18.027 7.314 -37.487 1.00 21.12 N ATOM 949 CA ILE A 66 17.874 5.911 -37.853 1.00 32.41 C ATOM 950 C ILE A 66 17.551 5.057 -36.631 1.00 54.10 C ATOM 951 O ILE A 66 18.220 5.148 -35.602 1.00 14.31 O ATOM 952 CB ILE A 66 19.146 5.363 -38.527 1.00 13.50 C ATOM 953 CG1 ILE A 66 19.403 6.093 -39.848 1.00 41.34 C ATOM 954 CG2 ILE A 66 19.017 3.864 -38.759 1.00 64.43 C ATOM 955 CD1 ILE A 66 20.705 5.698 -40.511 1.00 62.21 C ATOM 0 H ILE A 66 18.977 7.582 -37.231 1.00 21.12 H new ATOM 0 HA ILE A 66 17.046 5.857 -38.560 1.00 32.41 H new ATOM 0 HB ILE A 66 19.995 5.537 -37.866 1.00 13.50 H new ATOM 0 HG12 ILE A 66 18.579 5.890 -40.533 1.00 41.34 H new ATOM 0 HG13 ILE A 66 19.408 7.168 -39.665 1.00 41.34 H new ATOM 0 HG21 ILE A 66 19.923 3.490 -39.236 1.00 64.43 H new ATOM 0 HG22 ILE A 66 18.875 3.359 -37.804 1.00 64.43 H new ATOM 0 HG23 ILE A 66 18.160 3.668 -39.404 1.00 64.43 H new ATOM 0 HD11 ILE A 66 20.823 6.253 -41.442 1.00 62.21 H new ATOM 0 HD12 ILE A 66 21.537 5.926 -39.844 1.00 62.21 H new ATOM 0 HD13 ILE A 66 20.695 4.629 -40.725 1.00 62.21 H new ATOM 967 N LEU A 67 16.521 4.226 -36.754 1.00 62.31 N ATOM 968 CA LEU A 67 16.110 3.352 -35.660 1.00 64.04 C ATOM 969 C LEU A 67 16.081 1.895 -36.109 1.00 12.11 C ATOM 970 O LEU A 67 16.002 1.605 -37.302 1.00 61.41 O ATOM 971 CB LEU A 67 14.732 3.766 -35.141 1.00 53.02 C ATOM 972 CG LEU A 67 14.266 3.084 -33.855 1.00 54.25 C ATOM 973 CD1 LEU A 67 15.242 3.357 -32.722 1.00 12.14 C ATOM 974 CD2 LEU A 67 12.866 3.550 -33.481 1.00 10.33 C ATOM 0 H LEU A 67 15.956 4.139 -37.599 1.00 62.31 H new ATOM 0 HA LEU A 67 16.839 3.450 -34.855 1.00 64.04 H new ATOM 0 HB2 LEU A 67 14.737 4.843 -34.976 1.00 53.02 H new ATOM 0 HB3 LEU A 67 13.997 3.566 -35.921 1.00 53.02 H new ATOM 0 HG LEU A 67 14.235 2.008 -34.028 1.00 54.25 H new ATOM 0 HD11 LEU A 67 14.894 2.863 -31.815 1.00 12.14 H new ATOM 0 HD12 LEU A 67 16.226 2.972 -32.989 1.00 12.14 H new ATOM 0 HD13 LEU A 67 15.307 4.431 -32.549 1.00 12.14 H new ATOM 0 HD21 LEU A 67 12.551 3.054 -32.563 1.00 10.33 H new ATOM 0 HD22 LEU A 67 12.871 4.629 -33.327 1.00 10.33 H new ATOM 0 HD23 LEU A 67 12.173 3.301 -34.285 1.00 10.33 H new ATOM 986 N GLU A 68 16.143 0.982 -35.144 1.00 71.02 N ATOM 987 CA GLU A 68 16.121 -0.446 -35.441 1.00 2.24 C ATOM 988 C GLU A 68 15.033 -0.773 -36.460 1.00 45.14 C ATOM 989 O GLU A 68 13.981 -0.136 -36.485 1.00 70.41 O ATOM 990 CB GLU A 68 15.895 -1.252 -34.160 1.00 2.12 C ATOM 991 CG GLU A 68 16.980 -2.281 -33.890 1.00 61.11 C ATOM 992 CD GLU A 68 16.444 -3.700 -33.865 1.00 60.41 C ATOM 993 OE1 GLU A 68 16.756 -4.467 -34.798 1.00 23.25 O ATOM 994 OE2 GLU A 68 15.713 -4.042 -32.911 1.00 54.52 O1- ATOM 0 H GLU A 68 16.209 1.206 -34.151 1.00 71.02 H new ATOM 0 HA GLU A 68 17.087 -0.718 -35.867 1.00 2.24 H new ATOM 0 HB2 GLU A 68 15.838 -0.566 -33.315 1.00 2.12 H new ATOM 0 HB3 GLU A 68 14.933 -1.759 -34.225 1.00 2.12 H new ATOM 0 HG2 GLU A 68 17.751 -2.201 -34.657 1.00 61.11 H new ATOM 0 HG3 GLU A 68 17.456 -2.059 -32.935 1.00 61.11 H new ATOM 1001 N GLU A 69 15.298 -1.770 -37.299 1.00 22.44 N ATOM 1002 CA GLU A 69 14.343 -2.180 -38.321 1.00 73.04 C ATOM 1003 C GLU A 69 13.023 -2.613 -37.690 1.00 43.43 C ATOM 1004 O GLU A 69 11.964 -2.046 -37.956 1.00 23.14 O ATOM 1005 CB GLU A 69 14.919 -3.323 -39.160 1.00 71.35 C ATOM 1006 CG GLU A 69 15.220 -2.934 -40.597 1.00 42.54 C ATOM 1007 CD GLU A 69 15.971 -4.014 -41.350 1.00 13.13 C ATOM 1008 OE1 GLU A 69 15.642 -5.205 -41.164 1.00 54.15 O ATOM 1009 OE2 GLU A 69 16.887 -3.671 -42.126 1.00 42.34 O1- ATOM 0 H GLU A 69 16.165 -2.308 -37.291 1.00 22.44 H new ATOM 0 HA GLU A 69 14.153 -1.324 -38.968 1.00 73.04 H new ATOM 0 HB2 GLU A 69 15.835 -3.681 -38.690 1.00 71.35 H new ATOM 0 HB3 GLU A 69 14.214 -4.154 -39.158 1.00 71.35 H new ATOM 0 HG2 GLU A 69 14.285 -2.719 -41.114 1.00 42.54 H new ATOM 0 HG3 GLU A 69 15.807 -2.016 -40.605 1.00 42.54 H new ATOM 1016 N PRO A 70 13.087 -3.644 -36.833 1.00 54.22 N ATOM 1017 CA PRO A 70 11.907 -4.176 -36.147 1.00 20.10 C ATOM 1018 C PRO A 70 11.362 -3.212 -35.099 1.00 1.22 C ATOM 1019 O PRO A 70 10.158 -2.963 -35.036 1.00 33.25 O ATOM 1020 CB PRO A 70 12.430 -5.451 -35.479 1.00 54.11 C ATOM 1021 CG PRO A 70 13.890 -5.213 -35.302 1.00 53.54 C ATOM 1022 CD PRO A 70 14.317 -4.367 -36.470 1.00 23.21 C ATOM 0 HA PRO A 70 11.079 -4.347 -36.835 1.00 20.10 H new ATOM 0 HB2 PRO A 70 11.939 -5.627 -34.522 1.00 54.11 H new ATOM 0 HB3 PRO A 70 12.244 -6.328 -36.099 1.00 54.11 H new ATOM 0 HG2 PRO A 70 14.091 -4.705 -34.359 1.00 53.54 H new ATOM 0 HG3 PRO A 70 14.439 -6.154 -35.281 1.00 53.54 H new ATOM 0 HD2 PRO A 70 15.121 -3.682 -36.198 1.00 23.21 H new ATOM 0 HD3 PRO A 70 14.683 -4.977 -37.296 1.00 23.21 H new ATOM 1030 N LEU A 71 12.255 -2.671 -34.278 1.00 73.21 N ATOM 1031 CA LEU A 71 11.864 -1.732 -33.232 1.00 71.13 C ATOM 1032 C LEU A 71 11.048 -0.580 -33.811 1.00 14.24 C ATOM 1033 O LEU A 71 9.980 -0.243 -33.299 1.00 22.31 O ATOM 1034 CB LEU A 71 13.101 -1.187 -32.518 1.00 11.33 C ATOM 1035 CG LEU A 71 12.919 -0.813 -31.046 1.00 51.51 C ATOM 1036 CD1 LEU A 71 11.720 0.108 -30.875 1.00 70.15 C ATOM 1037 CD2 LEU A 71 12.759 -2.063 -30.194 1.00 52.41 C ATOM 0 H LEU A 71 13.255 -2.866 -34.316 1.00 73.21 H new ATOM 0 HA LEU A 71 11.244 -2.267 -32.513 1.00 71.13 H new ATOM 0 HB2 LEU A 71 13.893 -1.933 -32.587 1.00 11.33 H new ATOM 0 HB3 LEU A 71 13.446 -0.304 -33.056 1.00 11.33 H new ATOM 0 HG LEU A 71 13.811 -0.282 -30.712 1.00 51.51 H new ATOM 0 HD11 LEU A 71 11.605 0.364 -29.822 1.00 70.15 H new ATOM 0 HD12 LEU A 71 11.875 1.018 -31.455 1.00 70.15 H new ATOM 0 HD13 LEU A 71 10.820 -0.397 -31.226 1.00 70.15 H new ATOM 0 HD21 LEU A 71 12.631 -1.778 -29.150 1.00 52.41 H new ATOM 0 HD22 LEU A 71 11.884 -2.621 -30.528 1.00 52.41 H new ATOM 0 HD23 LEU A 71 13.647 -2.687 -30.293 1.00 52.41 H new ATOM 1049 N TYR A 72 11.558 0.018 -34.882 1.00 23.13 N ATOM 1050 CA TYR A 72 10.877 1.132 -35.532 1.00 72.33 C ATOM 1051 C TYR A 72 9.541 0.686 -36.119 1.00 64.33 C ATOM 1052 O TYR A 72 8.505 1.305 -35.874 1.00 54.01 O ATOM 1053 CB TYR A 72 11.759 1.723 -36.633 1.00 62.53 C ATOM 1054 CG TYR A 72 11.187 2.975 -37.260 1.00 74.02 C ATOM 1055 CD1 TYR A 72 10.350 2.902 -38.366 1.00 13.23 C ATOM 1056 CD2 TYR A 72 11.486 4.230 -36.745 1.00 33.42 C ATOM 1057 CE1 TYR A 72 9.826 4.043 -38.942 1.00 74.45 C ATOM 1058 CE2 TYR A 72 10.965 5.377 -37.314 1.00 12.54 C ATOM 1059 CZ TYR A 72 10.136 5.278 -38.413 1.00 14.41 C ATOM 1060 OH TYR A 72 9.616 6.418 -38.983 1.00 23.11 O ATOM 0 H TYR A 72 12.440 -0.250 -35.318 1.00 23.13 H new ATOM 0 HA TYR A 72 10.685 1.897 -34.779 1.00 72.33 H new ATOM 0 HB2 TYR A 72 12.741 1.951 -36.218 1.00 62.53 H new ATOM 0 HB3 TYR A 72 11.908 0.973 -37.410 1.00 62.53 H new ATOM 0 HD1 TYR A 72 10.105 1.936 -38.783 1.00 13.23 H new ATOM 0 HD2 TYR A 72 12.136 4.311 -35.886 1.00 33.42 H new ATOM 0 HE1 TYR A 72 9.177 3.968 -39.802 1.00 74.45 H new ATOM 0 HE2 TYR A 72 11.205 6.345 -36.901 1.00 12.54 H new ATOM 0 HH TYR A 72 10.225 7.170 -38.825 1.00 23.11 H new ATOM 1070 N ARG A 73 9.574 -0.391 -36.895 1.00 65.44 N ATOM 1071 CA ARG A 73 8.366 -0.922 -37.519 1.00 14.13 C ATOM 1072 C ARG A 73 7.321 -1.275 -36.464 1.00 11.43 C ATOM 1073 O ARG A 73 6.121 -1.288 -36.743 1.00 2.21 O ATOM 1074 CB ARG A 73 8.699 -2.157 -38.357 1.00 24.52 C ATOM 1075 CG ARG A 73 8.080 -2.135 -39.745 1.00 20.20 C ATOM 1076 CD ARG A 73 9.044 -1.570 -40.777 1.00 62.31 C ATOM 1077 NE ARG A 73 9.957 -2.589 -41.287 1.00 14.20 N ATOM 1078 CZ ARG A 73 9.601 -3.527 -42.157 1.00 65.04 C ATOM 1079 NH1 ARG A 73 8.356 -3.575 -42.611 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 10.489 -4.419 -42.575 1.00 13.35 N ATOM 0 H ARG A 73 10.423 -0.914 -37.108 1.00 65.44 H new ATOM 0 HA ARG A 73 7.954 -0.151 -38.171 1.00 14.13 H new ATOM 0 HB2 ARG A 73 9.782 -2.240 -38.452 1.00 24.52 H new ATOM 0 HB3 ARG A 73 8.356 -3.047 -37.829 1.00 24.52 H new ATOM 0 HG2 ARG A 73 7.791 -3.146 -40.031 1.00 20.20 H new ATOM 0 HG3 ARG A 73 7.170 -1.535 -39.729 1.00 20.20 H new ATOM 0 HD2 ARG A 73 8.479 -1.142 -41.605 1.00 62.31 H new ATOM 0 HD3 ARG A 73 9.619 -0.759 -40.330 1.00 62.31 H new ATOM 0 HE ARG A 73 10.922 -2.580 -40.957 1.00 14.20 H new ATOM 0 HH11 ARG A 73 7.670 -2.891 -42.292 1.00 12.32 H new ATOM 0 HH12 ARG A 73 8.084 -4.296 -43.279 1.00 12.32 H new ATOM 0 HH21 ARG A 73 11.448 -4.385 -42.228 1.00 13.35 H new ATOM 0 HH22 ARG A 73 10.213 -5.139 -43.243 1.00 13.35 H new ATOM 1094 N LYS A 74 7.784 -1.562 -35.252 1.00 33.12 N ATOM 1095 CA LYS A 74 6.891 -1.916 -34.156 1.00 31.02 C ATOM 1096 C LYS A 74 6.215 -0.675 -33.583 1.00 63.21 C ATOM 1097 O LYS A 74 4.992 -0.634 -33.433 1.00 75.00 O ATOM 1098 CB LYS A 74 7.666 -2.642 -33.054 1.00 65.31 C ATOM 1099 CG LYS A 74 7.793 -4.138 -33.284 1.00 40.52 C ATOM 1100 CD LYS A 74 7.978 -4.889 -31.977 1.00 34.44 C ATOM 1101 CE LYS A 74 6.659 -5.442 -31.458 1.00 41.15 C ATOM 1102 NZ LYS A 74 6.026 -4.528 -30.467 1.00 30.01 N1+ ATOM 0 H LYS A 74 8.773 -1.556 -35.004 1.00 33.12 H new ATOM 0 HA LYS A 74 6.120 -2.580 -34.548 1.00 31.02 H new ATOM 0 HB2 LYS A 74 8.663 -2.209 -32.977 1.00 65.31 H new ATOM 0 HB3 LYS A 74 7.169 -2.471 -32.099 1.00 65.31 H new ATOM 0 HG2 LYS A 74 6.902 -4.506 -33.793 1.00 40.52 H new ATOM 0 HG3 LYS A 74 8.640 -4.335 -33.941 1.00 40.52 H new ATOM 0 HD2 LYS A 74 8.684 -5.707 -32.123 1.00 34.44 H new ATOM 0 HD3 LYS A 74 8.412 -4.222 -31.232 1.00 34.44 H new ATOM 0 HE2 LYS A 74 5.977 -5.600 -32.294 1.00 41.15 H new ATOM 0 HE3 LYS A 74 6.829 -6.415 -30.998 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 5.174 -4.978 -30.075 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 6.698 -4.330 -29.699 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 5.763 -3.637 -30.935 1.00 30.01 H new ATOM 1116 N LEU A 75 7.015 0.337 -33.266 1.00 52.50 N ATOM 1117 CA LEU A 75 6.493 1.581 -32.711 1.00 65.55 C ATOM 1118 C LEU A 75 5.567 2.275 -33.705 1.00 75.21 C ATOM 1119 O LEU A 75 4.729 3.090 -33.325 1.00 64.44 O ATOM 1120 CB LEU A 75 7.643 2.515 -32.331 1.00 21.23 C ATOM 1121 CG LEU A 75 8.669 1.950 -31.347 1.00 41.12 C ATOM 1122 CD1 LEU A 75 9.287 3.067 -30.520 1.00 62.14 C ATOM 1123 CD2 LEU A 75 8.024 0.910 -30.443 1.00 51.32 C ATOM 0 H LEU A 75 8.028 0.321 -33.384 1.00 52.50 H new ATOM 0 HA LEU A 75 5.919 1.338 -31.817 1.00 65.55 H new ATOM 0 HB2 LEU A 75 8.165 2.805 -33.243 1.00 21.23 H new ATOM 0 HB3 LEU A 75 7.220 3.424 -31.902 1.00 21.23 H new ATOM 0 HG LEU A 75 9.462 1.466 -31.917 1.00 41.12 H new ATOM 0 HD11 LEU A 75 10.014 2.646 -29.826 1.00 62.14 H new ATOM 0 HD12 LEU A 75 9.785 3.776 -31.181 1.00 62.14 H new ATOM 0 HD13 LEU A 75 8.505 3.580 -29.960 1.00 62.14 H new ATOM 0 HD21 LEU A 75 8.768 0.519 -29.750 1.00 51.32 H new ATOM 0 HD22 LEU A 75 7.211 1.370 -29.881 1.00 51.32 H new ATOM 0 HD23 LEU A 75 7.630 0.095 -31.050 1.00 51.32 H new ATOM 1135 N GLY A 76 5.725 1.943 -34.984 1.00 21.42 N ATOM 1136 CA GLY A 76 4.895 2.542 -36.013 1.00 10.52 C ATOM 1137 C GLY A 76 5.708 3.078 -37.175 1.00 14.51 C ATOM 1138 O GLY A 76 6.904 3.338 -37.035 1.00 71.33 O ATOM 0 H GLY A 76 6.412 1.271 -35.325 1.00 21.42 H new ATOM 0 HA2 GLY A 76 4.186 1.800 -36.381 1.00 10.52 H new ATOM 0 HA3 GLY A 76 4.311 3.353 -35.578 1.00 10.52 H new ATOM 1142 N GLU A 77 5.061 3.242 -38.323 1.00 31.22 N ATOM 1143 CA GLU A 77 5.734 3.748 -39.514 1.00 3.31 C ATOM 1144 C GLU A 77 4.894 4.823 -40.198 1.00 55.51 C ATOM 1145 O GLU A 77 3.676 4.897 -40.028 1.00 65.31 O ATOM 1146 CB GLU A 77 6.015 2.606 -40.493 1.00 60.22 C ATOM 1147 CG GLU A 77 4.865 1.621 -40.625 1.00 64.43 C ATOM 1148 CD GLU A 77 4.992 0.737 -41.851 1.00 52.41 C ATOM 1149 OE1 GLU A 77 5.537 1.213 -42.870 1.00 31.24 O ATOM 1150 OE2 GLU A 77 4.548 -0.427 -41.792 1.00 22.41 O1- ATOM 0 H GLU A 77 4.072 3.032 -38.455 1.00 31.22 H new ATOM 0 HA GLU A 77 6.680 4.192 -39.204 1.00 3.31 H new ATOM 0 HB2 GLU A 77 6.237 3.026 -41.474 1.00 60.22 H new ATOM 0 HB3 GLU A 77 6.906 2.070 -40.167 1.00 60.22 H new ATOM 0 HG2 GLU A 77 4.823 0.995 -39.733 1.00 64.43 H new ATOM 0 HG3 GLU A 77 3.925 2.170 -40.673 1.00 64.43 H new ATOM 1157 N PRO A 78 5.558 5.677 -40.991 1.00 13.34 N ATOM 1158 CA PRO A 78 4.894 6.764 -41.717 1.00 21.23 C ATOM 1159 C PRO A 78 4.009 6.249 -42.847 1.00 62.01 C ATOM 1160 O PRO A 78 4.111 5.091 -43.250 1.00 42.25 O ATOM 1161 CB PRO A 78 6.060 7.579 -42.279 1.00 40.44 C ATOM 1162 CG PRO A 78 7.186 6.609 -42.381 1.00 2.43 C ATOM 1163 CD PRO A 78 7.009 5.647 -41.240 1.00 41.44 C ATOM 0 HA PRO A 78 4.227 7.338 -41.073 1.00 21.23 H new ATOM 0 HB2 PRO A 78 5.814 8.003 -43.252 1.00 40.44 H new ATOM 0 HB3 PRO A 78 6.313 8.412 -41.623 1.00 40.44 H new ATOM 0 HG2 PRO A 78 7.166 6.087 -43.338 1.00 2.43 H new ATOM 0 HG3 PRO A 78 8.147 7.119 -42.316 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.351 4.646 -41.502 1.00 41.44 H new ATOM 0 HD3 PRO A 78 7.574 5.957 -40.361 1.00 41.44 H new ATOM 1171 N SER A 79 3.140 7.118 -43.354 1.00 1.54 N ATOM 1172 CA SER A 79 2.235 6.750 -44.437 1.00 22.12 C ATOM 1173 C SER A 79 3.015 6.271 -45.658 1.00 55.34 C ATOM 1174 O SER A 79 4.195 6.583 -45.817 1.00 42.34 O ATOM 1175 CB SER A 79 1.350 7.939 -44.817 1.00 75.41 C ATOM 1176 OG SER A 79 2.119 9.120 -44.964 1.00 71.31 O ATOM 0 H SER A 79 3.044 8.081 -43.032 1.00 1.54 H new ATOM 0 HA SER A 79 1.603 5.933 -44.088 1.00 22.12 H new ATOM 0 HB2 SER A 79 0.826 7.724 -45.749 1.00 75.41 H new ATOM 0 HB3 SER A 79 0.589 8.090 -44.051 1.00 75.41 H new ATOM 0 HG SER A 79 1.531 9.865 -45.209 1.00 71.31 H new ATOM 1182 N ASP A 80 2.346 5.511 -46.518 1.00 2.42 N ATOM 1183 CA ASP A 80 2.973 4.990 -47.727 1.00 64.33 C ATOM 1184 C ASP A 80 3.629 6.111 -48.527 1.00 41.21 C ATOM 1185 O ASP A 80 4.684 5.922 -49.131 1.00 61.31 O ATOM 1186 CB ASP A 80 1.941 4.267 -48.592 1.00 42.53 C ATOM 1187 CG ASP A 80 2.561 3.176 -49.444 1.00 72.41 C ATOM 1188 OD1 ASP A 80 2.442 1.991 -49.070 1.00 61.52 O ATOM 1189 OD2 ASP A 80 3.164 3.508 -50.486 1.00 62.51 O1- ATOM 0 H ASP A 80 1.369 5.242 -46.400 1.00 2.42 H new ATOM 0 HA ASP A 80 3.746 4.282 -47.428 1.00 64.33 H new ATOM 0 HB2 ASP A 80 1.175 3.832 -47.951 1.00 42.53 H new ATOM 0 HB3 ASP A 80 1.443 4.990 -49.238 1.00 42.53 H new ATOM 1194 N LYS A 81 2.997 7.280 -48.525 1.00 63.24 N ATOM 1195 CA LYS A 81 3.517 8.433 -49.249 1.00 42.30 C ATOM 1196 C LYS A 81 4.971 8.701 -48.873 1.00 52.43 C ATOM 1197 O LYS A 81 5.863 8.627 -49.716 1.00 13.12 O ATOM 1198 CB LYS A 81 2.667 9.671 -48.957 1.00 24.44 C ATOM 1199 CG LYS A 81 1.447 9.796 -49.853 1.00 13.30 C ATOM 1200 CD LYS A 81 1.832 10.190 -51.268 1.00 11.42 C ATOM 1201 CE LYS A 81 0.622 10.221 -52.188 1.00 51.52 C ATOM 1202 NZ LYS A 81 0.002 8.874 -52.335 1.00 62.13 N1+ ATOM 0 H LYS A 81 2.123 7.453 -48.029 1.00 63.24 H new ATOM 0 HA LYS A 81 3.471 8.212 -50.315 1.00 42.30 H new ATOM 0 HB2 LYS A 81 2.342 9.641 -47.917 1.00 24.44 H new ATOM 0 HB3 LYS A 81 3.285 10.561 -49.073 1.00 24.44 H new ATOM 0 HG2 LYS A 81 0.910 8.848 -49.872 1.00 13.30 H new ATOM 0 HG3 LYS A 81 0.766 10.540 -49.440 1.00 13.30 H new ATOM 0 HD2 LYS A 81 2.307 11.171 -51.257 1.00 11.42 H new ATOM 0 HD3 LYS A 81 2.567 9.485 -51.656 1.00 11.42 H new ATOM 0 HE2 LYS A 81 -0.116 10.919 -51.794 1.00 51.52 H new ATOM 0 HE3 LYS A 81 0.921 10.592 -53.168 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 -0.646 8.877 -53.148 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 0.746 8.164 -52.488 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 -0.528 8.639 -51.471 1.00 62.13 H new ATOM 1216 N GLU A 82 5.200 9.012 -47.600 1.00 13.40 N ATOM 1217 CA GLU A 82 6.546 9.290 -47.113 1.00 22.15 C ATOM 1218 C GLU A 82 7.408 8.031 -47.145 1.00 24.23 C ATOM 1219 O GLU A 82 8.606 8.092 -47.420 1.00 2.21 O ATOM 1220 CB GLU A 82 6.492 9.848 -45.690 1.00 53.12 C ATOM 1221 CG GLU A 82 5.911 11.250 -45.606 1.00 71.53 C ATOM 1222 CD GLU A 82 6.664 12.245 -46.468 1.00 12.30 C ATOM 1223 OE1 GLU A 82 6.183 12.549 -47.580 1.00 14.14 O ATOM 1224 OE2 GLU A 82 7.734 12.719 -46.031 1.00 32.01 O1- ATOM 0 H GLU A 82 4.472 9.078 -46.889 1.00 13.40 H new ATOM 0 HA GLU A 82 6.996 10.034 -47.771 1.00 22.15 H new ATOM 0 HB2 GLU A 82 5.896 9.179 -45.069 1.00 53.12 H new ATOM 0 HB3 GLU A 82 7.499 9.856 -45.274 1.00 53.12 H new ATOM 0 HG2 GLU A 82 4.866 11.225 -45.914 1.00 71.53 H new ATOM 0 HG3 GLU A 82 5.930 11.586 -44.569 1.00 71.53 H new ATOM 1231 N TYR A 83 6.789 6.891 -46.862 1.00 32.52 N ATOM 1232 CA TYR A 83 7.498 5.616 -46.855 1.00 21.41 C ATOM 1233 C TYR A 83 8.182 5.367 -48.196 1.00 74.33 C ATOM 1234 O TYR A 83 9.382 5.101 -48.254 1.00 30.25 O ATOM 1235 CB TYR A 83 6.532 4.473 -46.541 1.00 60.15 C ATOM 1236 CG TYR A 83 7.220 3.147 -46.306 1.00 3.54 C ATOM 1237 CD1 TYR A 83 7.838 2.469 -47.351 1.00 33.43 C ATOM 1238 CD2 TYR A 83 7.251 2.572 -45.042 1.00 72.12 C ATOM 1239 CE1 TYR A 83 8.468 1.256 -47.141 1.00 3.43 C ATOM 1240 CE2 TYR A 83 7.878 1.361 -44.824 1.00 71.42 C ATOM 1241 CZ TYR A 83 8.486 0.707 -45.876 1.00 11.20 C ATOM 1242 OH TYR A 83 9.110 -0.500 -45.662 1.00 41.13 O ATOM 0 H TYR A 83 5.797 6.823 -46.634 1.00 32.52 H new ATOM 0 HA TYR A 83 8.263 5.658 -46.080 1.00 21.41 H new ATOM 0 HB2 TYR A 83 5.950 4.733 -45.657 1.00 60.15 H new ATOM 0 HB3 TYR A 83 5.828 4.366 -47.366 1.00 60.15 H new ATOM 0 HD1 TYR A 83 7.826 2.897 -48.343 1.00 33.43 H new ATOM 0 HD2 TYR A 83 6.777 3.081 -44.216 1.00 72.12 H new ATOM 0 HE1 TYR A 83 8.943 0.741 -47.963 1.00 3.43 H new ATOM 0 HE2 TYR A 83 7.892 0.928 -43.835 1.00 71.42 H new ATOM 0 HH TYR A 83 9.033 -0.745 -44.716 1.00 41.13 H new ATOM 1252 N ASP A 84 7.408 5.454 -49.273 1.00 24.14 N ATOM 1253 CA ASP A 84 7.937 5.239 -50.614 1.00 41.30 C ATOM 1254 C ASP A 84 8.937 6.329 -50.985 1.00 24.23 C ATOM 1255 O ASP A 84 9.992 6.051 -51.555 1.00 11.41 O ATOM 1256 CB ASP A 84 6.798 5.204 -51.636 1.00 33.25 C ATOM 1257 CG ASP A 84 7.064 4.229 -52.765 1.00 12.43 C ATOM 1258 OD1 ASP A 84 8.243 4.062 -53.141 1.00 71.12 O ATOM 1259 OD2 ASP A 84 6.091 3.633 -53.273 1.00 45.14 O1- ATOM 0 H ASP A 84 6.412 5.672 -49.243 1.00 24.14 H new ATOM 0 HA ASP A 84 8.453 4.279 -50.624 1.00 41.30 H new ATOM 0 HB2 ASP A 84 5.871 4.929 -51.133 1.00 33.25 H new ATOM 0 HB3 ASP A 84 6.653 6.202 -52.049 1.00 33.25 H new ATOM 1264 N LEU A 85 8.597 7.571 -50.659 1.00 20.31 N ATOM 1265 CA LEU A 85 9.465 8.706 -50.958 1.00 5.33 C ATOM 1266 C LEU A 85 10.856 8.497 -50.369 1.00 63.15 C ATOM 1267 O LEU A 85 11.860 8.865 -50.979 1.00 64.22 O ATOM 1268 CB LEU A 85 8.856 9.998 -50.411 1.00 32.10 C ATOM 1269 CG LEU A 85 9.256 11.286 -51.130 1.00 40.23 C ATOM 1270 CD1 LEU A 85 8.811 11.246 -52.584 1.00 13.40 C ATOM 1271 CD2 LEU A 85 8.666 12.497 -50.424 1.00 5.43 C ATOM 0 H LEU A 85 7.727 7.818 -50.188 1.00 20.31 H new ATOM 0 HA LEU A 85 9.557 8.786 -52.041 1.00 5.33 H new ATOM 0 HB2 LEU A 85 7.770 9.908 -50.447 1.00 32.10 H new ATOM 0 HB3 LEU A 85 9.134 10.091 -49.361 1.00 32.10 H new ATOM 0 HG LEU A 85 10.342 11.370 -51.106 1.00 40.23 H new ATOM 0 HD11 LEU A 85 9.104 12.171 -53.080 1.00 13.40 H new ATOM 0 HD12 LEU A 85 9.282 10.400 -53.085 1.00 13.40 H new ATOM 0 HD13 LEU A 85 7.727 11.138 -52.630 1.00 13.40 H new ATOM 0 HD21 LEU A 85 8.962 13.405 -50.950 1.00 5.43 H new ATOM 0 HD22 LEU A 85 7.579 12.420 -50.416 1.00 5.43 H new ATOM 0 HD23 LEU A 85 9.034 12.536 -49.399 1.00 5.43 H new ATOM 1283 N ILE A 86 10.907 7.904 -49.182 1.00 45.10 N ATOM 1284 CA ILE A 86 12.176 7.643 -48.512 1.00 32.42 C ATOM 1285 C ILE A 86 12.913 6.478 -49.165 1.00 52.13 C ATOM 1286 O ILE A 86 14.085 6.593 -49.523 1.00 14.31 O ATOM 1287 CB ILE A 86 11.971 7.333 -47.018 1.00 62.20 C ATOM 1288 CG1 ILE A 86 11.276 8.505 -46.323 1.00 10.12 C ATOM 1289 CG2 ILE A 86 13.305 7.030 -46.351 1.00 11.21 C ATOM 1290 CD1 ILE A 86 10.383 8.085 -45.176 1.00 63.41 C ATOM 0 H ILE A 86 10.085 7.595 -48.664 1.00 45.10 H new ATOM 0 HA ILE A 86 12.775 8.549 -48.608 1.00 32.42 H new ATOM 0 HB ILE A 86 11.335 6.452 -46.929 1.00 62.20 H new ATOM 0 HG12 ILE A 86 12.032 9.196 -45.950 1.00 10.12 H new ATOM 0 HG13 ILE A 86 10.681 9.050 -47.056 1.00 10.12 H new ATOM 0 HG21 ILE A 86 13.143 6.813 -45.295 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.765 6.167 -46.832 1.00 11.21 H new ATOM 0 HG23 ILE A 86 13.964 7.893 -46.447 1.00 11.21 H new ATOM 0 HD11 ILE A 86 9.924 8.967 -44.731 1.00 63.41 H new ATOM 0 HD12 ILE A 86 9.604 7.418 -45.546 1.00 63.41 H new ATOM 0 HD13 ILE A 86 10.977 7.566 -44.423 1.00 63.41 H new ATOM 1302 N ASP A 87 12.218 5.357 -49.318 1.00 50.21 N ATOM 1303 CA ASP A 87 12.804 4.170 -49.931 1.00 61.54 C ATOM 1304 C ASP A 87 13.232 4.455 -51.366 1.00 73.01 C ATOM 1305 O ASP A 87 14.036 3.722 -51.941 1.00 74.03 O ATOM 1306 CB ASP A 87 11.808 3.010 -49.903 1.00 35.13 C ATOM 1307 CG ASP A 87 12.494 1.658 -49.887 1.00 41.55 C ATOM 1308 OD1 ASP A 87 13.041 1.282 -48.830 1.00 61.45 O ATOM 1309 OD2 ASP A 87 12.483 0.976 -50.933 1.00 51.34 O1- ATOM 0 H ASP A 87 11.247 5.245 -49.026 1.00 50.21 H new ATOM 0 HA ASP A 87 13.687 3.893 -49.356 1.00 61.54 H new ATOM 0 HB2 ASP A 87 11.172 3.102 -49.022 1.00 35.13 H new ATOM 0 HB3 ASP A 87 11.156 3.073 -50.775 1.00 35.13 H new ATOM 1314 N GLN A 88 12.688 5.524 -51.939 1.00 32.35 N ATOM 1315 CA GLN A 88 13.013 5.904 -53.309 1.00 71.22 C ATOM 1316 C GLN A 88 14.388 6.558 -53.381 1.00 44.01 C ATOM 1317 O GLN A 88 15.028 6.566 -54.433 1.00 30.30 O ATOM 1318 CB GLN A 88 11.952 6.860 -53.861 1.00 71.55 C ATOM 1319 CG GLN A 88 10.873 6.165 -54.675 1.00 72.24 C ATOM 1320 CD GLN A 88 10.103 7.124 -55.562 1.00 74.11 C ATOM 1321 OE1 GLN A 88 9.421 8.027 -55.075 1.00 14.12 O ATOM 1322 NE2 GLN A 88 10.208 6.933 -56.871 1.00 31.43 N ATOM 0 H GLN A 88 12.021 6.142 -51.476 1.00 32.35 H new ATOM 0 HA GLN A 88 13.029 4.999 -53.916 1.00 71.22 H new ATOM 0 HB2 GLN A 88 11.485 7.390 -53.031 1.00 71.55 H new ATOM 0 HB3 GLN A 88 12.439 7.610 -54.484 1.00 71.55 H new ATOM 0 HG2 GLN A 88 11.330 5.392 -55.293 1.00 72.24 H new ATOM 0 HG3 GLN A 88 10.179 5.664 -54.000 1.00 72.24 H new ATOM 0 HE21 GLN A 88 10.784 6.172 -57.231 1.00 31.43 H new ATOM 0 HE22 GLN A 88 9.712 7.547 -57.517 1.00 31.43 H new ATOM 1331 N ALA A 89 14.838 7.104 -52.257 1.00 43.05 N ATOM 1332 CA ALA A 89 16.139 7.759 -52.192 1.00 33.15 C ATOM 1333 C ALA A 89 17.259 6.737 -52.023 1.00 24.14 C ATOM 1334 O ALA A 89 17.013 5.583 -51.674 1.00 71.13 O ATOM 1335 CB ALA A 89 16.167 8.768 -51.054 1.00 12.20 C ATOM 0 H ALA A 89 14.321 7.106 -51.378 1.00 43.05 H new ATOM 0 HA ALA A 89 16.300 8.286 -53.133 1.00 33.15 H new ATOM 0 HB1 ALA A 89 17.145 9.249 -51.018 1.00 12.20 H new ATOM 0 HB2 ALA A 89 15.397 9.522 -51.218 1.00 12.20 H new ATOM 0 HB3 ALA A 89 15.979 8.257 -50.110 1.00 12.20 H new ATOM 1341 N PHE A 90 18.490 7.170 -52.272 1.00 74.20 N ATOM 1342 CA PHE A 90 19.649 6.293 -52.149 1.00 75.52 C ATOM 1343 C PHE A 90 19.949 5.991 -50.683 1.00 71.45 C ATOM 1344 O PHE A 90 20.219 6.895 -49.895 1.00 12.24 O ATOM 1345 CB PHE A 90 20.872 6.931 -52.811 1.00 64.23 C ATOM 1346 CG PHE A 90 21.019 6.581 -54.264 1.00 13.13 C ATOM 1347 CD1 PHE A 90 20.962 7.566 -55.236 1.00 30.42 C ATOM 1348 CD2 PHE A 90 21.214 5.268 -54.657 1.00 65.35 C ATOM 1349 CE1 PHE A 90 21.097 7.248 -56.575 1.00 45.43 C ATOM 1350 CE2 PHE A 90 21.349 4.943 -55.993 1.00 31.34 C ATOM 1351 CZ PHE A 90 21.290 5.934 -56.954 1.00 1.02 C ATOM 0 H PHE A 90 18.711 8.123 -52.560 1.00 74.20 H new ATOM 0 HA PHE A 90 19.419 5.356 -52.656 1.00 75.52 H new ATOM 0 HB2 PHE A 90 20.805 8.014 -52.712 1.00 64.23 H new ATOM 0 HB3 PHE A 90 21.769 6.617 -52.277 1.00 64.23 H new ATOM 0 HD1 PHE A 90 20.810 8.595 -54.945 1.00 30.42 H new ATOM 0 HD2 PHE A 90 21.261 4.489 -53.911 1.00 65.35 H new ATOM 0 HE1 PHE A 90 21.052 8.026 -57.323 1.00 45.43 H new ATOM 0 HE2 PHE A 90 21.501 3.915 -56.286 1.00 31.34 H new ATOM 0 HZ PHE A 90 21.395 5.682 -57.999 1.00 1.02 H new ATOM 1361 N GLY A 91 19.898 4.710 -50.327 1.00 12.51 N ATOM 1362 CA GLY A 91 20.166 4.312 -48.958 1.00 14.41 C ATOM 1363 C GLY A 91 19.335 5.087 -47.955 1.00 73.13 C ATOM 1364 O GLY A 91 19.846 5.530 -46.926 1.00 4.35 O ATOM 0 H GLY A 91 19.676 3.943 -50.962 1.00 12.51 H new ATOM 0 HA2 GLY A 91 19.964 3.247 -48.847 1.00 14.41 H new ATOM 0 HA3 GLY A 91 21.224 4.460 -48.740 1.00 14.41 H new ATOM 1368 N ALA A 92 18.052 5.254 -48.255 1.00 4.24 N ATOM 1369 CA ALA A 92 17.149 5.982 -47.372 1.00 70.22 C ATOM 1370 C ALA A 92 16.019 5.084 -46.880 1.00 24.25 C ATOM 1371 O ALA A 92 15.200 4.611 -47.669 1.00 13.15 O ATOM 1372 CB ALA A 92 16.585 7.203 -48.083 1.00 0.13 C ATOM 0 H ALA A 92 17.614 4.895 -49.103 1.00 4.24 H new ATOM 0 HA ALA A 92 17.719 6.313 -46.504 1.00 70.22 H new ATOM 0 HB1 ALA A 92 15.912 7.737 -47.411 1.00 0.13 H new ATOM 0 HB2 ALA A 92 17.402 7.862 -48.378 1.00 0.13 H new ATOM 0 HB3 ALA A 92 16.036 6.886 -48.970 1.00 0.13 H new ATOM 1378 N THR A 93 15.980 4.851 -45.573 1.00 45.11 N ATOM 1379 CA THR A 93 14.951 4.009 -44.977 1.00 43.04 C ATOM 1380 C THR A 93 13.989 4.831 -44.127 1.00 51.13 C ATOM 1381 O THR A 93 14.388 5.798 -43.482 1.00 12.44 O ATOM 1382 CB THR A 93 15.569 2.900 -44.103 1.00 14.42 C ATOM 1383 OG1 THR A 93 16.912 2.636 -44.525 1.00 31.50 O ATOM 1384 CG2 THR A 93 14.746 1.623 -44.186 1.00 75.11 C ATOM 0 H THR A 93 16.650 5.234 -44.906 1.00 45.11 H new ATOM 0 HA THR A 93 14.403 3.551 -45.801 1.00 43.04 H new ATOM 0 HB THR A 93 15.574 3.243 -43.069 1.00 14.42 H new ATOM 0 HG1 THR A 93 17.299 1.932 -43.964 1.00 31.50 H new ATOM 0 HG21 THR A 93 15.202 0.855 -43.561 1.00 75.11 H new ATOM 0 HG22 THR A 93 13.732 1.820 -43.837 1.00 75.11 H new ATOM 0 HG23 THR A 93 14.713 1.278 -45.219 1.00 75.11 H new ATOM 1392 N GLY A 94 12.718 4.440 -44.133 1.00 64.34 N ATOM 1393 CA GLY A 94 11.719 5.152 -43.359 1.00 73.52 C ATOM 1394 C GLY A 94 12.088 5.255 -41.892 1.00 11.42 C ATOM 1395 O GLY A 94 11.623 6.153 -41.188 1.00 75.13 O ATOM 0 H GLY A 94 12.363 3.642 -44.660 1.00 64.34 H new ATOM 0 HA2 GLY A 94 11.591 6.154 -43.770 1.00 73.52 H new ATOM 0 HA3 GLY A 94 10.760 4.644 -43.454 1.00 73.52 H new ATOM 1399 N THR A 95 12.924 4.332 -41.427 1.00 3.02 N ATOM 1400 CA THR A 95 13.352 4.321 -40.034 1.00 45.00 C ATOM 1401 C THR A 95 14.355 5.435 -39.758 1.00 1.41 C ATOM 1402 O THR A 95 14.813 5.605 -38.628 1.00 53.40 O ATOM 1403 CB THR A 95 13.983 2.969 -39.651 1.00 64.24 C ATOM 1404 OG1 THR A 95 15.229 2.799 -40.337 1.00 24.23 O ATOM 1405 CG2 THR A 95 13.049 1.819 -39.994 1.00 23.25 C ATOM 0 H THR A 95 13.318 3.582 -41.995 1.00 3.02 H new ATOM 0 HA THR A 95 12.460 4.481 -39.428 1.00 45.00 H new ATOM 0 HB THR A 95 14.157 2.966 -38.575 1.00 64.24 H new ATOM 0 HG1 THR A 95 15.625 1.938 -40.087 1.00 24.23 H new ATOM 0 HG21 THR A 95 13.516 0.875 -39.714 1.00 23.25 H new ATOM 0 HG22 THR A 95 12.113 1.936 -39.449 1.00 23.25 H new ATOM 0 HG23 THR A 95 12.848 1.821 -41.065 1.00 23.25 H new ATOM 1413 N SER A 96 14.694 6.191 -40.798 1.00 4.44 N ATOM 1414 CA SER A 96 15.646 7.287 -40.667 1.00 60.11 C ATOM 1415 C SER A 96 14.934 8.586 -40.302 1.00 71.41 C ATOM 1416 O SER A 96 15.570 9.568 -39.918 1.00 10.54 O ATOM 1417 CB SER A 96 16.427 7.470 -41.970 1.00 33.34 C ATOM 1418 OG SER A 96 17.358 8.534 -41.862 1.00 54.01 O ATOM 0 H SER A 96 14.323 6.064 -41.740 1.00 4.44 H new ATOM 0 HA SER A 96 16.341 7.037 -39.866 1.00 60.11 H new ATOM 0 HB2 SER A 96 16.952 6.547 -42.216 1.00 33.34 H new ATOM 0 HB3 SER A 96 15.735 7.670 -42.788 1.00 33.34 H new ATOM 0 HG SER A 96 17.065 9.155 -41.163 1.00 54.01 H new ATOM 1424 N ARG A 97 13.611 8.582 -40.425 1.00 14.14 N ATOM 1425 CA ARG A 97 12.811 9.760 -40.108 1.00 44.44 C ATOM 1426 C ARG A 97 11.953 9.517 -38.871 1.00 41.24 C ATOM 1427 O ARG A 97 11.461 8.410 -38.650 1.00 64.24 O ATOM 1428 CB ARG A 97 11.920 10.130 -41.295 1.00 70.20 C ATOM 1429 CG ARG A 97 10.871 9.081 -41.621 1.00 33.41 C ATOM 1430 CD ARG A 97 9.743 9.661 -42.460 1.00 21.13 C ATOM 1431 NE ARG A 97 9.086 10.782 -41.793 1.00 44.32 N ATOM 1432 CZ ARG A 97 8.303 10.648 -40.729 1.00 45.23 C ATOM 1433 NH1 ARG A 97 8.080 9.447 -40.213 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 7.741 11.717 -40.177 1.00 33.05 N ATOM 0 H ARG A 97 13.070 7.777 -40.742 1.00 14.14 H new ATOM 0 HA ARG A 97 13.491 10.586 -39.900 1.00 44.44 H new ATOM 0 HB2 ARG A 97 11.422 11.076 -41.083 1.00 70.20 H new ATOM 0 HB3 ARG A 97 12.547 10.290 -42.173 1.00 70.20 H new ATOM 0 HG2 ARG A 97 11.337 8.254 -42.157 1.00 33.41 H new ATOM 0 HG3 ARG A 97 10.464 8.672 -40.696 1.00 33.41 H new ATOM 0 HD2 ARG A 97 10.139 9.992 -43.420 1.00 21.13 H new ATOM 0 HD3 ARG A 97 9.009 8.883 -42.669 1.00 21.13 H new ATOM 0 HE ARG A 97 9.237 11.720 -42.165 1.00 44.32 H new ATOM 0 HH11 ARG A 97 8.510 8.623 -40.633 1.00 54.10 H new ATOM 0 HH12 ARG A 97 7.478 9.347 -39.396 1.00 54.10 H new ATOM 0 HH21 ARG A 97 7.911 12.643 -40.570 1.00 33.05 H new ATOM 0 HH22 ARG A 97 7.140 11.612 -39.360 1.00 33.05 H new ATOM 1448 N LEU A 98 11.778 10.559 -38.066 1.00 2.12 N ATOM 1449 CA LEU A 98 10.979 10.461 -36.850 1.00 73.45 C ATOM 1450 C LEU A 98 10.661 11.845 -36.292 1.00 21.34 C ATOM 1451 O LEU A 98 11.289 12.834 -36.666 1.00 13.34 O ATOM 1452 CB LEU A 98 11.717 9.632 -35.797 1.00 23.22 C ATOM 1453 CG LEU A 98 10.863 9.087 -34.651 1.00 64.21 C ATOM 1454 CD1 LEU A 98 9.728 8.233 -35.190 1.00 54.22 C ATOM 1455 CD2 LEU A 98 11.720 8.289 -33.680 1.00 44.21 C ATOM 0 H LEU A 98 12.179 11.482 -38.234 1.00 2.12 H new ATOM 0 HA LEU A 98 10.040 9.967 -37.101 1.00 73.45 H new ATOM 0 HB2 LEU A 98 12.197 8.791 -36.297 1.00 23.22 H new ATOM 0 HB3 LEU A 98 12.511 10.246 -35.372 1.00 23.22 H new ATOM 0 HG LEU A 98 10.430 9.931 -34.113 1.00 64.21 H new ATOM 0 HD11 LEU A 98 9.132 7.854 -34.360 1.00 54.22 H new ATOM 0 HD12 LEU A 98 9.098 8.836 -35.844 1.00 54.22 H new ATOM 0 HD13 LEU A 98 10.139 7.395 -35.753 1.00 54.22 H new ATOM 0 HD21 LEU A 98 11.096 7.909 -32.871 1.00 44.21 H new ATOM 0 HD22 LEU A 98 12.182 7.453 -34.205 1.00 44.21 H new ATOM 0 HD23 LEU A 98 12.497 8.932 -33.267 1.00 44.21 H new ATOM 1467 N GLY A 99 9.683 11.906 -35.393 1.00 65.55 N ATOM 1468 CA GLY A 99 9.301 13.173 -34.798 1.00 71.01 C ATOM 1469 C GLY A 99 10.044 13.454 -33.507 1.00 52.33 C ATOM 1470 O GLY A 99 11.027 12.784 -33.189 1.00 62.04 O ATOM 0 H GLY A 99 9.149 11.101 -35.066 1.00 65.55 H new ATOM 0 HA2 GLY A 99 9.495 13.977 -35.508 1.00 71.01 H new ATOM 0 HA3 GLY A 99 8.229 13.171 -34.603 1.00 71.01 H new ATOM 1474 N CYS A 100 9.576 14.449 -32.761 1.00 23.20 N ATOM 1475 CA CYS A 100 10.204 14.820 -31.499 1.00 42.23 C ATOM 1476 C CYS A 100 9.380 14.322 -30.315 1.00 61.43 C ATOM 1477 O CYS A 100 8.854 15.115 -29.535 1.00 22.54 O ATOM 1478 CB CYS A 100 10.370 16.338 -31.415 1.00 12.14 C ATOM 1479 SG CYS A 100 11.431 17.043 -32.717 1.00 33.11 S ATOM 0 H CYS A 100 8.763 15.013 -33.009 1.00 23.20 H new ATOM 0 HA CYS A 100 11.187 14.351 -31.459 1.00 42.23 H new ATOM 0 HB2 CYS A 100 9.386 16.804 -31.471 1.00 12.14 H new ATOM 0 HB3 CYS A 100 10.789 16.594 -30.442 1.00 12.14 H new ATOM 1484 N GLN A 101 9.274 13.003 -30.188 1.00 51.23 N ATOM 1485 CA GLN A 101 8.514 12.399 -29.100 1.00 32.50 C ATOM 1486 C GLN A 101 8.885 10.930 -28.927 1.00 24.44 C ATOM 1487 O GLN A 101 8.798 10.141 -29.870 1.00 62.34 O ATOM 1488 CB GLN A 101 7.014 12.531 -29.363 1.00 54.33 C ATOM 1489 CG GLN A 101 6.393 13.772 -28.740 1.00 51.15 C ATOM 1490 CD GLN A 101 4.907 13.617 -28.487 1.00 64.22 C ATOM 1491 OE1 GLN A 101 4.257 12.739 -29.055 1.00 14.41 O ATOM 1492 NE2 GLN A 101 4.359 14.473 -27.633 1.00 64.44 N ATOM 0 H GLN A 101 9.705 12.333 -30.825 1.00 51.23 H new ATOM 0 HA GLN A 101 8.762 12.928 -28.180 1.00 32.50 H new ATOM 0 HB2 GLN A 101 6.843 12.551 -30.439 1.00 54.33 H new ATOM 0 HB3 GLN A 101 6.507 11.648 -28.976 1.00 54.33 H new ATOM 0 HG2 GLN A 101 6.897 13.992 -27.799 1.00 51.15 H new ATOM 0 HG3 GLN A 101 6.559 14.625 -29.397 1.00 51.15 H new ATOM 0 HE21 GLN A 101 4.935 15.185 -27.185 1.00 64.44 H new ATOM 0 HE22 GLN A 101 3.362 14.418 -27.425 1.00 64.44 H new ATOM 1501 N LEU A 102 9.298 10.567 -27.718 1.00 65.25 N ATOM 1502 CA LEU A 102 9.683 9.191 -27.421 1.00 63.32 C ATOM 1503 C LEU A 102 9.547 8.897 -25.931 1.00 43.03 C ATOM 1504 O LEU A 102 9.685 9.792 -25.096 1.00 43.45 O ATOM 1505 CB LEU A 102 11.122 8.934 -27.874 1.00 54.24 C ATOM 1506 CG LEU A 102 11.339 8.818 -29.384 1.00 12.13 C ATOM 1507 CD1 LEU A 102 11.715 10.168 -29.975 1.00 65.13 C ATOM 1508 CD2 LEU A 102 12.412 7.784 -29.689 1.00 5.14 C ATOM 0 H LEU A 102 9.375 11.206 -26.927 1.00 65.25 H new ATOM 0 HA LEU A 102 9.013 8.527 -27.966 1.00 63.32 H new ATOM 0 HB2 LEU A 102 11.750 9.741 -27.498 1.00 54.24 H new ATOM 0 HB3 LEU A 102 11.471 8.014 -27.405 1.00 54.24 H new ATOM 0 HG LEU A 102 10.405 8.491 -29.842 1.00 12.13 H new ATOM 0 HD11 LEU A 102 11.865 10.066 -31.050 1.00 65.13 H new ATOM 0 HD12 LEU A 102 10.914 10.883 -29.787 1.00 65.13 H new ATOM 0 HD13 LEU A 102 12.635 10.524 -29.512 1.00 65.13 H new ATOM 0 HD21 LEU A 102 12.554 7.714 -30.767 1.00 5.14 H new ATOM 0 HD22 LEU A 102 13.349 8.082 -29.218 1.00 5.14 H new ATOM 0 HD23 LEU A 102 12.103 6.814 -29.300 1.00 5.14 H new ATOM 1520 N ARG A 103 9.277 7.638 -25.604 1.00 52.25 N ATOM 1521 CA ARG A 103 9.124 7.226 -24.214 1.00 12.23 C ATOM 1522 C ARG A 103 9.642 5.805 -24.007 1.00 22.20 C ATOM 1523 O ARG A 103 9.284 4.889 -24.748 1.00 3.34 O ATOM 1524 CB ARG A 103 7.655 7.310 -23.794 1.00 33.05 C ATOM 1525 CG ARG A 103 7.290 8.623 -23.118 1.00 62.04 C ATOM 1526 CD ARG A 103 6.396 8.396 -21.909 1.00 70.21 C ATOM 1527 NE ARG A 103 4.990 8.269 -22.284 1.00 53.42 N ATOM 1528 CZ ARG A 103 4.020 7.996 -21.418 1.00 21.50 C ATOM 1529 NH1 ARG A 103 4.303 7.822 -20.134 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 2.765 7.897 -21.836 1.00 43.51 N ATOM 0 H ARG A 103 9.160 6.885 -26.282 1.00 52.25 H new ATOM 0 HA ARG A 103 9.712 7.903 -23.594 1.00 12.23 H new ATOM 0 HB2 ARG A 103 7.026 7.177 -24.674 1.00 33.05 H new ATOM 0 HB3 ARG A 103 7.432 6.487 -23.115 1.00 33.05 H new ATOM 0 HG2 ARG A 103 8.199 9.139 -22.808 1.00 62.04 H new ATOM 0 HG3 ARG A 103 6.782 9.272 -23.831 1.00 62.04 H new ATOM 0 HD2 ARG A 103 6.715 7.494 -21.387 1.00 70.21 H new ATOM 0 HD3 ARG A 103 6.512 9.226 -21.212 1.00 70.21 H new ATOM 0 HE ARG A 103 4.739 8.397 -23.264 1.00 53.42 H new ATOM 0 HH11 ARG A 103 5.267 7.898 -19.809 1.00 52.01 H new ATOM 0 HH12 ARG A 103 3.557 7.613 -19.471 1.00 52.01 H new ATOM 0 HH21 ARG A 103 2.544 8.030 -22.823 1.00 43.51 H new ATOM 0 HH22 ARG A 103 2.021 7.687 -21.171 1.00 43.51 H new ATOM 1544 N VAL A 104 10.487 5.631 -22.996 1.00 21.01 N ATOM 1545 CA VAL A 104 11.054 4.321 -22.693 1.00 23.15 C ATOM 1546 C VAL A 104 9.972 3.342 -22.257 1.00 51.50 C ATOM 1547 O VAL A 104 9.309 3.545 -21.239 1.00 20.41 O ATOM 1548 CB VAL A 104 12.121 4.416 -21.586 1.00 3.52 C ATOM 1549 CG1 VAL A 104 12.707 3.044 -21.290 1.00 0.25 C ATOM 1550 CG2 VAL A 104 13.215 5.397 -21.983 1.00 72.24 C ATOM 0 H VAL A 104 10.794 6.379 -22.374 1.00 21.01 H new ATOM 0 HA VAL A 104 11.521 3.958 -23.609 1.00 23.15 H new ATOM 0 HB VAL A 104 11.645 4.785 -20.678 1.00 3.52 H new ATOM 0 HG11 VAL A 104 13.459 3.131 -20.506 1.00 0.25 H new ATOM 0 HG12 VAL A 104 11.914 2.373 -20.960 1.00 0.25 H new ATOM 0 HG13 VAL A 104 13.169 2.643 -22.192 1.00 0.25 H new ATOM 0 HG21 VAL A 104 13.960 5.452 -21.189 1.00 72.24 H new ATOM 0 HG22 VAL A 104 13.690 5.059 -22.904 1.00 72.24 H new ATOM 0 HG23 VAL A 104 12.779 6.384 -22.140 1.00 72.24 H new ATOM 1560 N ASP A 105 9.797 2.277 -23.032 1.00 71.13 N ATOM 1561 CA ASP A 105 8.796 1.263 -22.725 1.00 40.04 C ATOM 1562 C ASP A 105 9.360 -0.139 -22.932 1.00 72.04 C ATOM 1563 O ASP A 105 10.511 -0.303 -23.338 1.00 10.30 O ATOM 1564 CB ASP A 105 7.555 1.460 -23.598 1.00 44.20 C ATOM 1565 CG ASP A 105 6.487 2.287 -22.909 1.00 65.14 C ATOM 1566 OD1 ASP A 105 6.140 3.366 -23.435 1.00 23.23 O ATOM 1567 OD2 ASP A 105 6.000 1.855 -21.843 1.00 33.31 O1- ATOM 0 H ASP A 105 10.336 2.094 -23.878 1.00 71.13 H new ATOM 0 HA ASP A 105 8.516 1.371 -21.677 1.00 40.04 H new ATOM 0 HB2 ASP A 105 7.843 1.948 -24.529 1.00 44.20 H new ATOM 0 HB3 ASP A 105 7.142 0.486 -23.862 1.00 44.20 H new ATOM 1572 N LYS A 106 8.544 -1.149 -22.649 1.00 24.41 N ATOM 1573 CA LYS A 106 8.960 -2.536 -22.803 1.00 72.51 C ATOM 1574 C LYS A 106 9.368 -2.826 -24.245 1.00 64.01 C ATOM 1575 O LYS A 106 10.311 -3.576 -24.495 1.00 34.22 O ATOM 1576 CB LYS A 106 7.831 -3.480 -22.384 1.00 13.33 C ATOM 1577 CG LYS A 106 8.298 -4.891 -22.074 1.00 33.41 C ATOM 1578 CD LYS A 106 8.925 -4.979 -20.691 1.00 30.24 C ATOM 1579 CE LYS A 106 7.870 -4.918 -19.597 1.00 13.42 C ATOM 1580 NZ LYS A 106 7.367 -6.272 -19.235 1.00 24.12 N1+ ATOM 0 H LYS A 106 7.589 -1.031 -22.311 1.00 24.41 H new ATOM 0 HA LYS A 106 9.823 -2.702 -22.158 1.00 72.51 H new ATOM 0 HB2 LYS A 106 7.334 -3.070 -21.505 1.00 13.33 H new ATOM 0 HB3 LYS A 106 7.088 -3.520 -23.181 1.00 13.33 H new ATOM 0 HG2 LYS A 106 7.453 -5.577 -22.136 1.00 33.41 H new ATOM 0 HG3 LYS A 106 9.022 -5.209 -22.824 1.00 33.41 H new ATOM 0 HD2 LYS A 106 9.488 -5.908 -20.604 1.00 30.24 H new ATOM 0 HD3 LYS A 106 9.635 -4.163 -20.559 1.00 30.24 H new ATOM 0 HE2 LYS A 106 8.291 -4.439 -18.713 1.00 13.42 H new ATOM 0 HE3 LYS A 106 7.037 -4.298 -19.930 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 6.650 -6.187 -18.486 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 6.942 -6.720 -20.072 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 8.157 -6.856 -18.893 1.00 24.12 H new ATOM 1594 N SER A 107 8.652 -2.223 -25.190 1.00 1.32 N ATOM 1595 CA SER A 107 8.938 -2.417 -26.606 1.00 32.25 C ATOM 1596 C SER A 107 10.304 -1.843 -26.969 1.00 64.51 C ATOM 1597 O SER A 107 10.890 -2.201 -27.990 1.00 35.32 O ATOM 1598 CB SER A 107 7.852 -1.762 -27.462 1.00 25.21 C ATOM 1599 OG SER A 107 7.874 -2.265 -28.786 1.00 60.12 O ATOM 0 H SER A 107 7.870 -1.596 -25.000 1.00 1.32 H new ATOM 0 HA SER A 107 8.950 -3.489 -26.805 1.00 32.25 H new ATOM 0 HB2 SER A 107 6.874 -1.944 -27.017 1.00 25.21 H new ATOM 0 HB3 SER A 107 7.999 -0.682 -27.477 1.00 25.21 H new ATOM 0 HG SER A 107 7.170 -1.832 -29.312 1.00 60.12 H new ATOM 1605 N PHE A 108 10.804 -0.946 -26.124 1.00 54.12 N ATOM 1606 CA PHE A 108 12.100 -0.319 -26.355 1.00 31.34 C ATOM 1607 C PHE A 108 13.232 -1.210 -25.851 1.00 52.43 C ATOM 1608 O PHE A 108 14.404 -0.839 -25.920 1.00 20.31 O ATOM 1609 CB PHE A 108 12.162 1.044 -25.661 1.00 33.33 C ATOM 1610 CG PHE A 108 11.288 2.083 -26.303 1.00 11.41 C ATOM 1611 CD1 PHE A 108 11.844 3.210 -26.887 1.00 41.10 C ATOM 1612 CD2 PHE A 108 9.911 1.933 -26.323 1.00 23.10 C ATOM 1613 CE1 PHE A 108 11.043 4.168 -27.480 1.00 64.01 C ATOM 1614 CE2 PHE A 108 9.105 2.888 -26.914 1.00 0.32 C ATOM 1615 CZ PHE A 108 9.672 4.008 -27.491 1.00 71.21 C ATOM 0 H PHE A 108 10.331 -0.638 -25.274 1.00 54.12 H new ATOM 0 HA PHE A 108 12.222 -0.178 -27.429 1.00 31.34 H new ATOM 0 HB2 PHE A 108 11.867 0.926 -24.618 1.00 33.33 H new ATOM 0 HB3 PHE A 108 13.193 1.397 -25.662 1.00 33.33 H new ATOM 0 HD1 PHE A 108 12.916 3.341 -26.879 1.00 41.10 H new ATOM 0 HD2 PHE A 108 9.462 1.060 -25.872 1.00 23.10 H new ATOM 0 HE1 PHE A 108 11.489 5.040 -27.934 1.00 64.01 H new ATOM 0 HE2 PHE A 108 8.033 2.759 -26.925 1.00 0.32 H new ATOM 0 HZ PHE A 108 9.044 4.757 -27.950 1.00 71.21 H new ATOM 1625 N GLU A 109 12.873 -2.386 -25.347 1.00 45.42 N ATOM 1626 CA GLU A 109 13.858 -3.329 -24.831 1.00 14.13 C ATOM 1627 C GLU A 109 14.890 -3.675 -25.900 1.00 53.04 C ATOM 1628 O GLU A 109 14.543 -4.137 -26.987 1.00 0.14 O ATOM 1629 CB GLU A 109 13.169 -4.603 -24.339 1.00 15.44 C ATOM 1630 CG GLU A 109 14.084 -5.524 -23.550 1.00 21.13 C ATOM 1631 CD GLU A 109 13.349 -6.714 -22.962 1.00 40.23 C ATOM 1632 OE1 GLU A 109 12.610 -7.384 -23.715 1.00 23.25 O ATOM 1633 OE2 GLU A 109 13.512 -6.974 -21.753 1.00 62.22 O1- ATOM 0 H GLU A 109 11.907 -2.709 -25.285 1.00 45.42 H new ATOM 0 HA GLU A 109 14.372 -2.857 -23.993 1.00 14.13 H new ATOM 0 HB2 GLU A 109 12.318 -4.328 -23.715 1.00 15.44 H new ATOM 0 HB3 GLU A 109 12.773 -5.146 -25.197 1.00 15.44 H new ATOM 0 HG2 GLU A 109 14.883 -5.880 -24.200 1.00 21.13 H new ATOM 0 HG3 GLU A 109 14.556 -4.959 -22.746 1.00 21.13 H new ATOM 1640 N ASN A 110 16.161 -3.450 -25.583 1.00 40.22 N ATOM 1641 CA ASN A 110 17.245 -3.737 -26.516 1.00 12.52 C ATOM 1642 C ASN A 110 17.076 -2.941 -27.807 1.00 14.11 C ATOM 1643 O ASN A 110 17.537 -3.359 -28.869 1.00 14.41 O ATOM 1644 CB ASN A 110 17.293 -5.234 -26.828 1.00 53.45 C ATOM 1645 CG ASN A 110 18.093 -6.014 -25.803 1.00 14.25 C ATOM 1646 OD1 ASN A 110 19.232 -5.665 -25.492 1.00 53.03 O ATOM 1647 ND2 ASN A 110 17.498 -7.075 -25.271 1.00 13.04 N ATOM 0 H ASN A 110 16.466 -3.070 -24.687 1.00 40.22 H new ATOM 0 HA ASN A 110 18.184 -3.440 -26.048 1.00 12.52 H new ATOM 0 HB2 ASN A 110 16.277 -5.627 -26.867 1.00 53.45 H new ATOM 0 HB3 ASN A 110 17.730 -5.383 -27.815 1.00 53.45 H new ATOM 0 HD21 ASN A 110 17.986 -7.638 -24.575 1.00 13.04 H new ATOM 0 HD22 ASN A 110 16.552 -7.327 -25.559 1.00 13.04 H new ATOM 1654 N ALA A 111 16.413 -1.795 -27.707 1.00 11.53 N ATOM 1655 CA ALA A 111 16.186 -0.939 -28.864 1.00 33.33 C ATOM 1656 C ALA A 111 17.485 -0.293 -29.333 1.00 12.12 C ATOM 1657 O ALA A 111 18.272 0.200 -28.525 1.00 32.25 O ATOM 1658 CB ALA A 111 15.151 0.127 -28.538 1.00 12.32 C ATOM 0 H ALA A 111 16.023 -1.437 -26.835 1.00 11.53 H new ATOM 0 HA ALA A 111 15.807 -1.561 -29.675 1.00 33.33 H new ATOM 0 HB1 ALA A 111 14.992 0.759 -29.412 1.00 12.32 H new ATOM 0 HB2 ALA A 111 14.212 -0.351 -28.260 1.00 12.32 H new ATOM 0 HB3 ALA A 111 15.507 0.738 -27.708 1.00 12.32 H new ATOM 1664 N VAL A 112 17.705 -0.299 -30.644 1.00 73.01 N ATOM 1665 CA VAL A 112 18.908 0.287 -31.221 1.00 70.21 C ATOM 1666 C VAL A 112 18.607 1.633 -31.872 1.00 23.10 C ATOM 1667 O VAL A 112 17.769 1.727 -32.767 1.00 15.11 O ATOM 1668 CB VAL A 112 19.542 -0.648 -32.268 1.00 32.45 C ATOM 1669 CG1 VAL A 112 20.876 -0.093 -32.742 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.709 -2.049 -31.700 1.00 42.04 C ATOM 0 H VAL A 112 17.065 -0.704 -31.327 1.00 73.01 H new ATOM 0 HA VAL A 112 19.612 0.433 -30.402 1.00 70.21 H new ATOM 0 HB VAL A 112 18.875 -0.707 -33.128 1.00 32.45 H new ATOM 0 HG11 VAL A 112 21.309 -0.767 -33.481 1.00 55.14 H new ATOM 0 HG12 VAL A 112 20.723 0.888 -33.191 1.00 55.14 H new ATOM 0 HG13 VAL A 112 21.554 -0.002 -31.894 1.00 55.14 H new ATOM 0 HG21 VAL A 112 20.158 -2.696 -32.453 1.00 42.04 H new ATOM 0 HG22 VAL A 112 20.355 -2.011 -30.823 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.734 -2.445 -31.416 1.00 42.04 H new ATOM 1680 N PHE A 113 19.299 2.672 -31.414 1.00 22.12 N ATOM 1681 CA PHE A 113 19.105 4.014 -31.952 1.00 61.43 C ATOM 1682 C PHE A 113 20.348 4.484 -32.700 1.00 43.11 C ATOM 1683 O PHE A 113 21.353 4.853 -32.090 1.00 11.30 O ATOM 1684 CB PHE A 113 18.772 4.994 -30.826 1.00 14.33 C ATOM 1685 CG PHE A 113 17.455 4.718 -30.160 1.00 71.43 C ATOM 1686 CD1 PHE A 113 17.308 3.637 -29.304 1.00 12.52 C ATOM 1687 CD2 PHE A 113 16.361 5.537 -30.390 1.00 14.45 C ATOM 1688 CE1 PHE A 113 16.098 3.380 -28.690 1.00 3.02 C ATOM 1689 CE2 PHE A 113 15.148 5.285 -29.777 1.00 40.02 C ATOM 1690 CZ PHE A 113 15.016 4.204 -28.928 1.00 54.32 C ATOM 0 H PHE A 113 19.998 2.611 -30.673 1.00 22.12 H new ATOM 0 HA PHE A 113 18.271 3.981 -32.653 1.00 61.43 H new ATOM 0 HB2 PHE A 113 19.563 4.957 -30.077 1.00 14.33 H new ATOM 0 HB3 PHE A 113 18.761 6.007 -31.228 1.00 14.33 H new ATOM 0 HD1 PHE A 113 18.150 2.988 -29.115 1.00 12.52 H new ATOM 0 HD2 PHE A 113 16.457 6.382 -31.056 1.00 14.45 H new ATOM 0 HE1 PHE A 113 15.998 2.535 -28.024 1.00 3.02 H new ATOM 0 HE2 PHE A 113 14.304 5.933 -29.962 1.00 40.02 H new ATOM 0 HZ PHE A 113 14.068 4.003 -28.451 1.00 54.32 H new ATOM 1700 N THR A 114 20.275 4.467 -34.027 1.00 30.22 N ATOM 1701 CA THR A 114 21.394 4.890 -34.861 1.00 45.33 C ATOM 1702 C THR A 114 21.283 6.367 -35.223 1.00 52.03 C ATOM 1703 O THR A 114 20.329 6.784 -35.880 1.00 43.22 O ATOM 1704 CB THR A 114 21.476 4.060 -36.155 1.00 73.24 C ATOM 1705 OG1 THR A 114 21.811 2.703 -35.846 1.00 32.32 O ATOM 1706 CG2 THR A 114 22.513 4.640 -37.104 1.00 73.44 C ATOM 0 H THR A 114 19.452 4.165 -34.548 1.00 30.22 H new ATOM 0 HA THR A 114 22.301 4.729 -34.278 1.00 45.33 H new ATOM 0 HB THR A 114 20.502 4.091 -36.643 1.00 73.24 H new ATOM 0 HG1 THR A 114 21.704 2.149 -36.647 1.00 32.32 H new ATOM 0 HG21 THR A 114 22.553 4.037 -38.011 1.00 73.44 H new ATOM 0 HG22 THR A 114 22.240 5.664 -37.360 1.00 73.44 H new ATOM 0 HG23 THR A 114 23.490 4.636 -36.622 1.00 73.44 H new ATOM 1714 N VAL A 115 22.263 7.153 -34.792 1.00 21.22 N ATOM 1715 CA VAL A 115 22.276 8.584 -35.073 1.00 72.13 C ATOM 1716 C VAL A 115 23.358 8.935 -36.089 1.00 32.00 C ATOM 1717 O VAL A 115 24.494 9.252 -35.736 1.00 71.13 O ATOM 1718 CB VAL A 115 22.504 9.407 -33.791 1.00 34.51 C ATOM 1719 CG1 VAL A 115 22.299 10.888 -34.064 1.00 32.02 C ATOM 1720 CG2 VAL A 115 21.581 8.928 -32.681 1.00 0.35 C ATOM 0 H VAL A 115 23.059 6.823 -34.246 1.00 21.22 H new ATOM 0 HA VAL A 115 21.299 8.834 -35.486 1.00 72.13 H new ATOM 0 HB VAL A 115 23.534 9.262 -33.464 1.00 34.51 H new ATOM 0 HG11 VAL A 115 22.464 11.453 -33.147 1.00 32.02 H new ATOM 0 HG12 VAL A 115 23.005 11.219 -34.826 1.00 32.02 H new ATOM 0 HG13 VAL A 115 21.281 11.056 -34.415 1.00 32.02 H new ATOM 0 HG21 VAL A 115 21.755 9.520 -31.782 1.00 0.35 H new ATOM 0 HG22 VAL A 115 20.544 9.042 -32.996 1.00 0.35 H new ATOM 0 HG23 VAL A 115 21.782 7.878 -32.468 1.00 0.35 H new ATOM 1730 N PRO A 116 22.999 8.879 -37.379 1.00 23.44 N ATOM 1731 CA PRO A 116 23.925 9.188 -38.473 1.00 12.20 C ATOM 1732 C PRO A 116 24.274 10.671 -38.534 1.00 62.14 C ATOM 1733 O PRO A 116 25.406 11.039 -38.849 1.00 15.32 O ATOM 1734 CB PRO A 116 23.148 8.770 -39.725 1.00 2.12 C ATOM 1735 CG PRO A 116 21.715 8.867 -39.331 1.00 24.01 C ATOM 1736 CD PRO A 116 21.661 8.509 -37.871 1.00 65.44 C ATOM 0 HA PRO A 116 24.880 8.675 -38.356 1.00 12.20 H new ATOM 0 HB2 PRO A 116 23.372 9.425 -40.567 1.00 2.12 H new ATOM 0 HB3 PRO A 116 23.407 7.756 -40.032 1.00 2.12 H new ATOM 0 HG2 PRO A 116 21.331 9.873 -39.500 1.00 24.01 H new ATOM 0 HG3 PRO A 116 21.101 8.188 -39.922 1.00 24.01 H new ATOM 0 HD2 PRO A 116 20.876 9.058 -37.351 1.00 65.44 H new ATOM 0 HD3 PRO A 116 21.458 7.448 -37.725 1.00 65.44 H new ATOM 1744 N ARG A 117 23.296 11.519 -38.229 1.00 4.04 N ATOM 1745 CA ARG A 117 23.502 12.962 -38.250 1.00 23.33 C ATOM 1746 C ARG A 117 22.805 13.627 -37.067 1.00 72.14 C ATOM 1747 O ARG A 117 21.604 13.449 -36.861 1.00 53.20 O ATOM 1748 CB ARG A 117 22.981 13.554 -39.561 1.00 24.40 C ATOM 1749 CG ARG A 117 23.598 12.925 -40.800 1.00 3.30 C ATOM 1750 CD ARG A 117 23.194 13.669 -42.063 1.00 34.14 C ATOM 1751 NE ARG A 117 21.750 13.638 -42.278 1.00 31.52 N ATOM 1752 CZ ARG A 117 21.092 12.561 -42.691 1.00 33.23 C ATOM 1753 NH1 ARG A 117 21.746 11.433 -42.930 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 19.777 12.610 -42.865 1.00 55.12 N ATOM 0 H ARG A 117 22.354 11.231 -37.965 1.00 4.04 H new ATOM 0 HA ARG A 117 24.572 13.152 -38.173 1.00 23.33 H new ATOM 0 HB2 ARG A 117 21.899 13.430 -39.601 1.00 24.40 H new ATOM 0 HB3 ARG A 117 23.180 14.626 -39.570 1.00 24.40 H new ATOM 0 HG2 ARG A 117 24.684 12.926 -40.707 1.00 3.30 H new ATOM 0 HG3 ARG A 117 23.286 11.883 -40.874 1.00 3.30 H new ATOM 0 HD2 ARG A 117 23.528 14.704 -41.997 1.00 34.14 H new ATOM 0 HD3 ARG A 117 23.698 13.226 -42.922 1.00 34.14 H new ATOM 0 HE ARG A 117 21.218 14.490 -42.101 1.00 31.52 H new ATOM 0 HH11 ARG A 117 22.756 11.391 -42.797 1.00 32.32 H new ATOM 0 HH12 ARG A 117 21.239 10.607 -43.247 1.00 32.32 H new ATOM 0 HH21 ARG A 117 19.270 13.476 -42.681 1.00 55.12 H new ATOM 0 HH22 ARG A 117 19.273 11.782 -43.182 1.00 55.12 H new ATOM 1768 N ALA A 118 23.565 14.393 -36.293 1.00 53.11 N ATOM 1769 CA ALA A 118 23.021 15.087 -35.132 1.00 11.14 C ATOM 1770 C ALA A 118 24.042 16.051 -34.539 1.00 12.31 C ATOM 1771 O ALA A 118 25.162 16.170 -35.038 1.00 3.41 O ATOM 1772 CB ALA A 118 22.569 14.083 -34.082 1.00 11.25 C ATOM 0 H ALA A 118 24.561 14.549 -36.449 1.00 53.11 H new ATOM 0 HA ALA A 118 22.159 15.669 -35.459 1.00 11.14 H new ATOM 0 HB1 ALA A 118 22.165 14.615 -33.220 1.00 11.25 H new ATOM 0 HB2 ALA A 118 21.799 13.437 -34.504 1.00 11.25 H new ATOM 0 HB3 ALA A 118 23.419 13.477 -33.768 1.00 11.25 H new ATOM 1778 N THR A 119 23.649 16.740 -33.472 1.00 73.41 N ATOM 1779 CA THR A 119 24.530 17.696 -32.813 1.00 14.20 C ATOM 1780 C THR A 119 24.502 17.515 -31.300 1.00 51.53 C ATOM 1781 O THR A 119 23.884 16.583 -30.786 1.00 25.52 O ATOM 1782 CB THR A 119 24.139 19.147 -33.153 1.00 33.41 C ATOM 1783 OG1 THR A 119 22.924 19.496 -32.480 1.00 12.32 O ATOM 1784 CG2 THR A 119 23.963 19.323 -34.653 1.00 33.30 C ATOM 0 H THR A 119 22.726 16.654 -33.046 1.00 73.41 H new ATOM 0 HA THR A 119 25.538 17.504 -33.181 1.00 14.20 H new ATOM 0 HB THR A 119 24.941 19.805 -32.819 1.00 33.41 H new ATOM 0 HG1 THR A 119 22.682 20.420 -32.699 1.00 12.32 H new ATOM 0 HG21 THR A 119 23.687 20.355 -34.868 1.00 33.30 H new ATOM 0 HG22 THR A 119 24.898 19.084 -35.160 1.00 33.30 H new ATOM 0 HG23 THR A 119 23.177 18.656 -35.008 1.00 33.30 H new ATOM 1792 N LYS A 120 25.177 18.413 -30.589 1.00 3.41 N ATOM 1793 CA LYS A 120 25.229 18.354 -29.133 1.00 11.13 C ATOM 1794 C LYS A 120 24.350 19.436 -28.513 1.00 51.15 C ATOM 1795 O LYS A 120 24.090 20.467 -29.132 1.00 3.10 O ATOM 1796 CB LYS A 120 26.671 18.514 -28.647 1.00 73.35 C ATOM 1797 CG LYS A 120 26.844 18.257 -27.159 1.00 23.14 C ATOM 1798 CD LYS A 120 26.389 16.858 -26.779 1.00 22.41 C ATOM 1799 CE LYS A 120 26.632 16.576 -25.304 1.00 40.11 C ATOM 1800 NZ LYS A 120 26.863 15.126 -25.048 1.00 41.15 N1+ ATOM 0 H LYS A 120 25.696 19.190 -30.998 1.00 3.41 H new ATOM 0 HA LYS A 120 24.852 17.380 -28.820 1.00 11.13 H new ATOM 0 HB2 LYS A 120 27.311 17.828 -29.202 1.00 73.35 H new ATOM 0 HB3 LYS A 120 27.012 19.524 -28.875 1.00 73.35 H new ATOM 0 HG2 LYS A 120 27.891 18.387 -26.886 1.00 23.14 H new ATOM 0 HG3 LYS A 120 26.273 18.993 -26.593 1.00 23.14 H new ATOM 0 HD2 LYS A 120 25.328 16.746 -27.002 1.00 22.41 H new ATOM 0 HD3 LYS A 120 26.921 16.124 -27.384 1.00 22.41 H new ATOM 0 HE2 LYS A 120 27.495 17.147 -24.962 1.00 40.11 H new ATOM 0 HE3 LYS A 120 25.775 16.916 -24.723 1.00 40.11 H new ATOM 0 HZ1 LYS A 120 27.174 14.992 -24.065 1.00 41.15 H new ATOM 0 HZ2 LYS A 120 25.980 14.600 -25.206 1.00 41.15 H new ATOM 0 HZ3 LYS A 120 27.597 14.772 -25.694 1.00 41.15 H new ATOM 1814 N ASN A 121 23.897 19.193 -27.287 1.00 64.12 N ATOM 1815 CA ASN A 121 23.048 20.149 -26.584 1.00 63.15 C ATOM 1816 C ASN A 121 23.870 21.003 -25.624 1.00 0.51 C ATOM 1817 O ASN A 121 25.097 20.920 -25.598 1.00 31.55 O ATOM 1818 CB ASN A 121 21.948 19.414 -25.815 1.00 73.33 C ATOM 1819 CG ASN A 121 22.495 18.600 -24.658 1.00 44.14 C ATOM 1820 OD1 ASN A 121 23.693 18.325 -24.591 1.00 64.24 O ATOM 1821 ND2 ASN A 121 21.617 18.211 -23.741 1.00 40.14 N ATOM 0 H ASN A 121 24.103 18.344 -26.760 1.00 64.12 H new ATOM 0 HA ASN A 121 22.590 20.805 -27.325 1.00 63.15 H new ATOM 0 HB2 ASN A 121 21.227 20.139 -25.437 1.00 73.33 H new ATOM 0 HB3 ASN A 121 21.410 18.755 -26.497 1.00 73.33 H new ATOM 0 HD21 ASN A 121 21.926 17.661 -22.940 1.00 40.14 H new ATOM 0 HD22 ASN A 121 20.633 18.462 -23.838 1.00 40.14 H new ATOM 1828 N MET A 122 23.184 21.825 -24.837 1.00 74.51 N ATOM 1829 CA MET A 122 23.850 22.694 -23.874 1.00 43.31 C ATOM 1830 C MET A 122 24.221 21.923 -22.610 1.00 13.55 C ATOM 1831 O MET A 122 25.329 22.057 -22.093 1.00 15.21 O ATOM 1832 CB MET A 122 22.951 23.880 -23.517 1.00 33.13 C ATOM 1833 CG MET A 122 23.481 24.720 -22.366 1.00 63.32 C ATOM 1834 SD MET A 122 25.121 25.393 -22.696 1.00 33.21 S ATOM 1835 CE MET A 122 25.320 26.498 -21.300 1.00 62.33 C ATOM 0 H MET A 122 22.167 21.908 -24.847 1.00 74.51 H new ATOM 0 HA MET A 122 24.766 23.067 -24.332 1.00 43.31 H new ATOM 0 HB2 MET A 122 22.835 24.515 -24.396 1.00 33.13 H new ATOM 0 HB3 MET A 122 21.959 23.509 -23.258 1.00 33.13 H new ATOM 0 HG2 MET A 122 22.789 25.539 -22.170 1.00 63.32 H new ATOM 0 HG3 MET A 122 23.517 24.111 -21.463 1.00 63.32 H new ATOM 0 HE1 MET A 122 26.290 26.991 -21.362 1.00 62.33 H new ATOM 0 HE2 MET A 122 24.530 27.249 -21.315 1.00 62.33 H new ATOM 0 HE3 MET A 122 25.261 25.927 -20.373 1.00 62.33 H new ATOM 1845 N ALA A 123 23.286 21.117 -22.119 1.00 62.43 N ATOM 1846 CA ALA A 123 23.515 20.324 -20.918 1.00 20.11 C ATOM 1847 C ALA A 123 24.794 19.503 -21.039 1.00 52.22 C ATOM 1848 O ALA A 123 24.872 18.572 -21.839 1.00 2.23 O ATOM 1849 CB ALA A 123 22.324 19.414 -20.651 1.00 51.33 C ATOM 0 H ALA A 123 22.362 20.996 -22.535 1.00 62.43 H new ATOM 0 HA ALA A 123 23.631 21.008 -20.077 1.00 20.11 H new ATOM 0 HB1 ALA A 123 22.509 18.828 -19.751 1.00 51.33 H new ATOM 0 HB2 ALA A 123 21.428 20.019 -20.512 1.00 51.33 H new ATOM 0 HB3 ALA A 123 22.181 18.743 -21.498 1.00 51.33 H new ATOM 1855 N VAL A 124 25.795 19.855 -20.237 1.00 12.32 N ATOM 1856 CA VAL A 124 27.072 19.150 -20.255 1.00 34.21 C ATOM 1857 C VAL A 124 27.908 19.498 -19.029 1.00 0.24 C ATOM 1858 O VAL A 124 27.787 20.590 -18.472 1.00 1.13 O ATOM 1859 CB VAL A 124 27.879 19.479 -21.524 1.00 43.14 C ATOM 1860 CG1 VAL A 124 28.318 20.936 -21.515 1.00 44.35 C ATOM 1861 CG2 VAL A 124 29.078 18.553 -21.648 1.00 31.53 C ATOM 0 H VAL A 124 25.746 20.623 -19.568 1.00 12.32 H new ATOM 0 HA VAL A 124 26.845 18.084 -20.246 1.00 34.21 H new ATOM 0 HB VAL A 124 27.238 19.323 -22.392 1.00 43.14 H new ATOM 0 HG11 VAL A 124 28.887 21.150 -22.420 1.00 44.35 H new ATOM 0 HG12 VAL A 124 27.440 21.580 -21.478 1.00 44.35 H new ATOM 0 HG13 VAL A 124 28.942 21.123 -20.641 1.00 44.35 H new ATOM 0 HG21 VAL A 124 29.637 18.800 -22.551 1.00 31.53 H new ATOM 0 HG22 VAL A 124 29.723 18.674 -20.778 1.00 31.53 H new ATOM 0 HG23 VAL A 124 28.735 17.520 -21.705 1.00 31.53 H new ATOM 1871 N ASP A 125 28.757 18.566 -18.614 1.00 50.35 N ATOM 1872 CA ASP A 125 29.617 18.774 -17.455 1.00 62.21 C ATOM 1873 C ASP A 125 31.089 18.730 -17.854 1.00 45.30 C ATOM 1874 O ASP A 125 31.842 17.876 -17.389 1.00 64.33 O ATOM 1875 CB ASP A 125 29.333 17.718 -16.386 1.00 71.03 C ATOM 1876 CG ASP A 125 29.010 16.362 -16.983 1.00 62.23 C ATOM 1877 OD1 ASP A 125 29.872 15.806 -17.695 1.00 41.11 O ATOM 1878 OD2 ASP A 125 27.895 15.857 -16.738 1.00 63.51 O1- ATOM 0 H ASP A 125 28.869 17.657 -19.063 1.00 50.35 H new ATOM 0 HA ASP A 125 29.400 19.761 -17.046 1.00 62.21 H new ATOM 0 HB2 ASP A 125 30.199 17.626 -15.731 1.00 71.03 H new ATOM 0 HB3 ASP A 125 28.499 18.047 -15.767 1.00 71.03 H new ATOM 1883 N GLY A 126 31.491 19.655 -18.720 1.00 32.22 N ATOM 1884 CA GLY A 126 32.870 19.703 -19.168 1.00 22.23 C ATOM 1885 C GLY A 126 33.067 20.644 -20.340 1.00 23.11 C ATOM 1886 O GLY A 126 33.016 21.863 -20.182 1.00 73.43 O ATOM 0 H GLY A 126 30.886 20.372 -19.119 1.00 32.22 H new ATOM 0 HA2 GLY A 126 33.506 20.019 -18.341 1.00 22.23 H new ATOM 0 HA3 GLY A 126 33.191 18.701 -19.453 1.00 22.23 H new ATOM 1890 N PHE A 127 33.294 20.076 -21.520 1.00 42.33 N ATOM 1891 CA PHE A 127 33.502 20.872 -22.724 1.00 23.03 C ATOM 1892 C PHE A 127 33.062 20.105 -23.967 1.00 1.32 C ATOM 1893 O PHE A 127 33.385 18.929 -24.131 1.00 74.31 O ATOM 1894 CB PHE A 127 34.975 21.270 -22.850 1.00 35.24 C ATOM 1895 CG PHE A 127 35.362 22.424 -21.971 1.00 61.51 C ATOM 1896 CD1 PHE A 127 34.677 23.627 -22.043 1.00 3.43 C ATOM 1897 CD2 PHE A 127 36.410 22.307 -21.074 1.00 41.13 C ATOM 1898 CE1 PHE A 127 35.031 24.691 -21.235 1.00 12.22 C ATOM 1899 CE2 PHE A 127 36.768 23.369 -20.264 1.00 13.40 C ATOM 1900 CZ PHE A 127 36.078 24.562 -20.345 1.00 1.02 C ATOM 0 H PHE A 127 33.339 19.068 -21.668 1.00 42.33 H new ATOM 0 HA PHE A 127 32.895 21.774 -22.642 1.00 23.03 H new ATOM 0 HB2 PHE A 127 35.598 20.410 -22.602 1.00 35.24 H new ATOM 0 HB3 PHE A 127 35.186 21.528 -23.888 1.00 35.24 H new ATOM 0 HD1 PHE A 127 33.858 23.734 -22.738 1.00 3.43 H new ATOM 0 HD2 PHE A 127 36.954 21.376 -21.006 1.00 41.13 H new ATOM 0 HE1 PHE A 127 34.489 25.623 -21.300 1.00 12.22 H new ATOM 0 HE2 PHE A 127 37.587 23.265 -19.568 1.00 13.40 H new ATOM 0 HZ PHE A 127 36.357 25.392 -19.713 1.00 1.02 H new ATOM 1910 N LYS A 128 32.322 20.780 -24.840 1.00 65.05 N ATOM 1911 CA LYS A 128 31.837 20.163 -26.070 1.00 0.22 C ATOM 1912 C LYS A 128 31.916 21.143 -27.237 1.00 2.55 C ATOM 1913 O LYS A 128 31.974 22.359 -27.055 1.00 2.22 O ATOM 1914 CB LYS A 128 30.394 19.683 -25.890 1.00 35.34 C ATOM 1915 CG LYS A 128 30.285 18.327 -25.217 1.00 41.42 C ATOM 1916 CD LYS A 128 30.846 17.221 -26.096 1.00 55.02 C ATOM 1917 CE LYS A 128 30.656 15.853 -25.460 1.00 44.30 C ATOM 1918 NZ LYS A 128 31.539 14.826 -26.081 1.00 71.43 N1+ ATOM 0 H LYS A 128 32.045 21.754 -24.719 1.00 65.05 H new ATOM 0 HA LYS A 128 32.473 19.306 -26.293 1.00 0.22 H new ATOM 0 HB2 LYS A 128 29.846 20.418 -25.300 1.00 35.34 H new ATOM 0 HB3 LYS A 128 29.911 19.635 -26.866 1.00 35.34 H new ATOM 0 HG2 LYS A 128 30.822 18.346 -24.268 1.00 41.42 H new ATOM 0 HG3 LYS A 128 29.240 18.116 -24.988 1.00 41.42 H new ATOM 0 HD2 LYS A 128 30.354 17.243 -27.068 1.00 55.02 H new ATOM 0 HD3 LYS A 128 31.907 17.397 -26.272 1.00 55.02 H new ATOM 0 HE2 LYS A 128 30.867 15.916 -24.392 1.00 44.30 H new ATOM 0 HE3 LYS A 128 29.615 15.546 -25.562 1.00 44.30 H new ATOM 0 HZ1 LYS A 128 31.380 13.907 -25.620 1.00 71.43 H new ATOM 0 HZ2 LYS A 128 31.320 14.747 -27.095 1.00 71.43 H new ATOM 0 HZ3 LYS A 128 32.534 15.106 -25.962 1.00 71.43 H new ATOM 1932 N PRO A 129 31.918 20.602 -28.464 1.00 72.11 N ATOM 1933 CA PRO A 129 31.988 21.410 -29.685 1.00 73.12 C ATOM 1934 C PRO A 129 30.708 22.203 -29.929 1.00 21.15 C ATOM 1935 O PRO A 129 29.619 21.778 -29.544 1.00 62.32 O ATOM 1936 CB PRO A 129 32.190 20.369 -30.789 1.00 45.02 C ATOM 1937 CG PRO A 129 31.607 19.114 -30.238 1.00 53.15 C ATOM 1938 CD PRO A 129 31.851 19.160 -28.756 1.00 34.35 C ATOM 0 HA PRO A 129 32.780 22.157 -29.634 1.00 73.12 H new ATOM 0 HB2 PRO A 129 31.689 20.667 -31.710 1.00 45.02 H new ATOM 0 HB3 PRO A 129 33.246 20.244 -31.026 1.00 45.02 H new ATOM 0 HG2 PRO A 129 30.541 19.050 -30.456 1.00 53.15 H new ATOM 0 HG3 PRO A 129 32.076 18.237 -30.684 1.00 53.15 H new ATOM 0 HD2 PRO A 129 31.048 18.675 -28.202 1.00 34.35 H new ATOM 0 HD3 PRO A 129 32.777 18.652 -28.486 1.00 34.35 H new ATOM 1946 N LYS A 130 30.847 23.358 -30.572 1.00 15.20 N ATOM 1947 CA LYS A 130 29.702 24.211 -30.869 1.00 11.44 C ATOM 1948 C LYS A 130 28.697 24.192 -29.722 1.00 3.25 C ATOM 1949 O LYS A 130 27.584 23.680 -29.849 1.00 43.11 O ATOM 1950 CB LYS A 130 29.024 23.756 -32.163 1.00 1.11 C ATOM 1951 CG LYS A 130 28.704 22.271 -32.193 1.00 1.34 C ATOM 1952 CD LYS A 130 27.984 21.881 -33.472 1.00 53.24 C ATOM 1953 CE LYS A 130 26.526 22.317 -33.446 1.00 72.42 C ATOM 1954 NZ LYS A 130 25.963 22.450 -34.819 1.00 22.44 N1+ ATOM 0 H LYS A 130 31.741 23.725 -30.897 1.00 15.20 H new ATOM 0 HA LYS A 130 30.064 25.232 -30.994 1.00 11.44 H new ATOM 0 HB2 LYS A 130 28.101 24.321 -32.298 1.00 1.11 H new ATOM 0 HB3 LYS A 130 29.671 23.997 -33.006 1.00 1.11 H new ATOM 0 HG2 LYS A 130 29.627 21.697 -32.105 1.00 1.34 H new ATOM 0 HG3 LYS A 130 28.085 22.014 -31.333 1.00 1.34 H new ATOM 0 HD2 LYS A 130 28.486 22.335 -34.326 1.00 53.24 H new ATOM 0 HD3 LYS A 130 28.040 20.801 -33.607 1.00 53.24 H new ATOM 0 HE2 LYS A 130 25.940 21.592 -32.882 1.00 72.42 H new ATOM 0 HE3 LYS A 130 26.441 23.270 -32.925 1.00 72.42 H new ATOM 0 HZ1 LYS A 130 24.969 22.748 -34.759 1.00 22.44 H new ATOM 0 HZ2 LYS A 130 26.506 23.160 -35.350 1.00 22.44 H new ATOM 0 HZ3 LYS A 130 26.021 21.534 -35.308 1.00 22.44 H new ATOM 1968 N PRO A 131 29.095 24.763 -28.576 1.00 61.00 N ATOM 1969 CA PRO A 131 28.242 24.826 -27.385 1.00 32.35 C ATOM 1970 C PRO A 131 27.065 25.778 -27.565 1.00 31.34 C ATOM 1971 O PRO A 131 26.820 26.278 -28.664 1.00 23.11 O ATOM 1972 CB PRO A 131 29.188 25.344 -26.298 1.00 15.11 C ATOM 1973 CG PRO A 131 30.237 26.100 -27.038 1.00 73.03 C ATOM 1974 CD PRO A 131 30.408 25.392 -28.354 1.00 44.23 C ATOM 0 HA PRO A 131 27.793 23.860 -27.153 1.00 32.35 H new ATOM 0 HB2 PRO A 131 28.664 25.985 -25.589 1.00 15.11 H new ATOM 0 HB3 PRO A 131 29.621 24.523 -25.726 1.00 15.11 H new ATOM 0 HG2 PRO A 131 29.937 27.137 -27.189 1.00 73.03 H new ATOM 0 HG3 PRO A 131 31.173 26.117 -26.480 1.00 73.03 H new ATOM 0 HD2 PRO A 131 30.661 26.087 -29.154 1.00 44.23 H new ATOM 0 HD3 PRO A 131 31.206 24.651 -28.311 1.00 44.23 H new ATOM 1982 N HIS A 132 26.339 26.026 -26.479 1.00 72.12 N ATOM 1983 CA HIS A 132 25.187 26.920 -26.518 1.00 11.44 C ATOM 1984 C HIS A 132 25.399 28.118 -25.596 1.00 44.33 C ATOM 1985 O HIS A 132 26.482 28.261 -25.034 1.00 51.01 O ATOM 1986 CB HIS A 132 23.918 26.170 -26.113 1.00 21.33 C ATOM 1987 CG HIS A 132 22.672 26.720 -26.736 1.00 14.41 C ATOM 1988 ND1 HIS A 132 22.590 27.081 -28.064 1.00 32.41 N ATOM 1989 CD2 HIS A 132 21.453 26.970 -26.204 1.00 31.54 C ATOM 1990 CE1 HIS A 132 21.376 27.530 -28.322 1.00 53.00 C ATOM 1991 NE2 HIS A 132 20.665 27.473 -27.211 1.00 24.25 N ATOM 0 H HIS A 132 26.528 25.621 -25.562 1.00 72.12 H new ATOM 0 HA HIS A 132 25.075 27.283 -27.539 1.00 11.44 H new ATOM 0 HB2 HIS A 132 24.021 25.121 -26.392 1.00 21.33 H new ATOM 0 HB3 HIS A 132 23.817 26.203 -25.028 1.00 21.33 H new ATOM 0 HD1 HIS A 132 23.349 27.012 -28.742 1.00 32.41 H new ATOM 0 HD2 HIS A 132 21.155 26.805 -25.179 1.00 31.54 H new ATOM 0 HE1 HIS A 132 21.024 27.884 -29.280 1.00 53.00 H new TER 1999 HIS A 132 HETATM 2000 FE1 FES A 200 13.159 21.082 -33.183 1.00 71.43 FE HETATM 2001 FE2 FES A 200 12.672 18.488 -33.861 1.00 2.34 FE HETATM 2002 S1 FES A 200 11.430 20.250 -34.157 1.00 50.50 S HETATM 2003 S2 FES A 200 14.444 19.329 -32.869 1.00 65.42 S