USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 915 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 47 THR OG1 : rot -162:sc= 1.21 USER MOD Set 1.2: A 73 HIS : no HE2:sc= -3.32 K(o=-2.1,f=-8.2!) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0668 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -50:sc= -0.359 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -120:sc= -0.161 USER MOD Single : A 35 ASN : amide:sc= -1.83 K(o=-1.8,f=-3.2!) USER MOD Single : A 37 ASN : amide:sc= -0.0726 K(o=-0.073,f=-1.6!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -148:sc= 0.643 (180deg=0.0174) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0476 USER MOD Single : A 57 MET CE :methyl -144:sc= -0.508 (180deg=-2.36) USER MOD Single : A 60 MET CE :methyl -133:sc= -3.06 (180deg=-7.01!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -3.14 K(o=-3.1,f=-1.1) USER MOD Single : A 70 LYS NZ :NH3+ -101:sc= 0 (180deg=-1.35!) USER MOD Single : A 71 GLN : amide:sc= -0.073 X(o=-0.073,f=-0.073) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -146:sc= -2.08 (180deg=-5.4!) USER MOD Single : A 82 THR OG1 : rot -140:sc= 0.174 USER MOD Single : A 84 HIS : no HD1:sc= -0.595 K(o=-0.6,f=-0.045) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0314 K(o=-0.031,f=-1.5!) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 101 TYR OH : rot -113:sc= 0.232 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N ARG A 3 -0.947 3.466 -0.825 1.00 73.34 N ATOM 36 CA ARG A 3 -1.793 4.555 -0.354 1.00 14.31 C ATOM 37 C ARG A 3 -2.354 4.248 1.032 1.00 42.13 C ATOM 38 O ARG A 3 -2.369 3.097 1.465 1.00 33.20 O ATOM 39 CB ARG A 3 -2.940 4.801 -1.336 1.00 61.15 C ATOM 40 CG ARG A 3 -3.610 6.154 -1.164 1.00 53.12 C ATOM 41 CD ARG A 3 -4.988 6.017 -0.534 1.00 44.44 C ATOM 42 NE ARG A 3 -6.056 6.319 -1.483 1.00 61.35 N ATOM 43 CZ ARG A 3 -7.336 6.413 -1.143 1.00 74.11 C ATOM 44 NH1 ARG A 3 -7.706 6.231 0.117 1.00 20.41 N ATOM 45 NH2 ARG A 3 -8.250 6.691 -2.064 1.00 74.52 N ATOM 0 HA ARG A 3 -1.180 5.454 -0.289 1.00 14.31 H new ATOM 0 HB2 ARG A 3 -2.559 4.721 -2.354 1.00 61.15 H new ATOM 0 HB3 ARG A 3 -3.687 4.017 -1.213 1.00 61.15 H new ATOM 0 HG2 ARG A 3 -2.986 6.794 -0.540 1.00 53.12 H new ATOM 0 HG3 ARG A 3 -3.699 6.643 -2.134 1.00 53.12 H new ATOM 0 HD2 ARG A 3 -5.115 5.002 -0.156 1.00 44.44 H new ATOM 0 HD3 ARG A 3 -5.063 6.687 0.322 1.00 44.44 H new ATOM 0 HE ARG A 3 -5.805 6.466 -2.461 1.00 61.35 H new ATOM 0 HH11 ARG A 3 -7.007 6.018 0.828 1.00 20.41 H new ATOM 0 HH12 ARG A 3 -8.690 6.304 0.375 1.00 20.41 H new ATOM 0 HH21 ARG A 3 -7.970 6.833 -3.034 1.00 74.52 H new ATOM 0 HH22 ARG A 3 -9.233 6.763 -1.802 1.00 74.52 H new ATOM 59 N GLY A 4 -2.813 5.287 1.723 1.00 50.33 N ATOM 60 CA GLY A 4 -3.367 5.108 3.052 1.00 71.21 C ATOM 61 C GLY A 4 -3.824 6.414 3.671 1.00 72.23 C ATOM 62 O GLY A 4 -3.652 7.481 3.081 1.00 2.24 O ATOM 0 H GLY A 4 -2.811 6.250 1.386 1.00 50.33 H new ATOM 0 HA2 GLY A 4 -4.210 4.419 3.001 1.00 71.21 H new ATOM 0 HA3 GLY A 4 -2.618 4.647 3.696 1.00 71.21 H new ATOM 66 N ILE A 5 -4.410 6.330 4.861 1.00 44.05 N ATOM 67 CA ILE A 5 -4.893 7.515 5.559 1.00 73.35 C ATOM 68 C ILE A 5 -3.739 8.304 6.167 1.00 60.20 C ATOM 69 O ILE A 5 -2.760 7.727 6.641 1.00 50.01 O ATOM 70 CB ILE A 5 -5.890 7.144 6.672 1.00 14.12 C ATOM 71 CG1 ILE A 5 -7.098 6.412 6.083 1.00 50.51 C ATOM 72 CG2 ILE A 5 -6.334 8.391 7.422 1.00 0.14 C ATOM 73 CD1 ILE A 5 -8.150 6.059 7.110 1.00 35.41 C ATOM 0 H ILE A 5 -4.562 5.454 5.361 1.00 44.05 H new ATOM 0 HA ILE A 5 -5.401 8.133 4.818 1.00 73.35 H new ATOM 0 HB ILE A 5 -5.393 6.477 7.376 1.00 14.12 H new ATOM 0 HG12 ILE A 5 -7.550 7.036 5.312 1.00 50.51 H new ATOM 0 HG13 ILE A 5 -6.757 5.499 5.595 1.00 50.51 H new ATOM 0 HG21 ILE A 5 -7.039 8.113 8.206 1.00 0.14 H new ATOM 0 HG22 ILE A 5 -5.466 8.875 7.870 1.00 0.14 H new ATOM 0 HG23 ILE A 5 -6.816 9.080 6.729 1.00 0.14 H new ATOM 0 HD11 ILE A 5 -8.976 5.543 6.622 1.00 35.41 H new ATOM 0 HD12 ILE A 5 -7.714 5.410 7.869 1.00 35.41 H new ATOM 0 HD13 ILE A 5 -8.519 6.970 7.581 1.00 35.41 H new ATOM 85 N VAL A 6 -3.861 9.627 6.152 1.00 13.40 N ATOM 86 CA VAL A 6 -2.830 10.497 6.705 1.00 23.20 C ATOM 87 C VAL A 6 -3.432 11.537 7.643 1.00 72.31 C ATOM 88 O VAL A 6 -4.013 12.526 7.197 1.00 14.24 O ATOM 89 CB VAL A 6 -2.047 11.218 5.591 1.00 32.24 C ATOM 90 CG1 VAL A 6 -1.022 12.169 6.189 1.00 25.11 C ATOM 91 CG2 VAL A 6 -1.378 10.208 4.672 1.00 64.13 C ATOM 0 H VAL A 6 -4.664 10.120 5.763 1.00 13.40 H new ATOM 0 HA VAL A 6 -2.146 9.860 7.266 1.00 23.20 H new ATOM 0 HB VAL A 6 -2.749 11.805 4.998 1.00 32.24 H new ATOM 0 HG11 VAL A 6 -0.479 12.669 5.387 1.00 25.11 H new ATOM 0 HG12 VAL A 6 -1.530 12.913 6.802 1.00 25.11 H new ATOM 0 HG13 VAL A 6 -0.321 11.607 6.807 1.00 25.11 H new ATOM 0 HG21 VAL A 6 -0.829 10.734 3.891 1.00 64.13 H new ATOM 0 HG22 VAL A 6 -0.688 9.593 5.249 1.00 64.13 H new ATOM 0 HG23 VAL A 6 -2.137 9.572 4.217 1.00 64.13 H new ATOM 101 N TRP A 7 -3.289 11.306 8.943 1.00 41.12 N ATOM 102 CA TRP A 7 -3.819 12.224 9.945 1.00 50.13 C ATOM 103 C TRP A 7 -2.712 13.101 10.519 1.00 52.40 C ATOM 104 O TRP A 7 -1.744 12.601 11.091 1.00 22.01 O ATOM 105 CB TRP A 7 -4.504 11.445 11.069 1.00 61.24 C ATOM 106 CG TRP A 7 -5.819 10.850 10.663 1.00 3.25 C ATOM 107 CD1 TRP A 7 -6.401 10.912 9.429 1.00 25.34 C ATOM 108 CD2 TRP A 7 -6.715 10.106 11.495 1.00 33.13 C ATOM 109 NE1 TRP A 7 -7.605 10.250 9.444 1.00 0.51 N ATOM 110 CE2 TRP A 7 -7.821 9.746 10.699 1.00 4.44 C ATOM 111 CE3 TRP A 7 -6.691 9.706 12.834 1.00 12.21 C ATOM 112 CZ2 TRP A 7 -8.890 9.009 11.200 1.00 23.54 C ATOM 113 CZ3 TRP A 7 -7.753 8.974 13.330 1.00 52.20 C ATOM 114 CH2 TRP A 7 -8.840 8.631 12.515 1.00 62.33 C ATOM 0 H TRP A 7 -2.811 10.491 9.328 1.00 41.12 H new ATOM 0 HA TRP A 7 -4.552 12.868 9.460 1.00 50.13 H new ATOM 0 HB2 TRP A 7 -3.841 10.648 11.405 1.00 61.24 H new ATOM 0 HB3 TRP A 7 -4.661 12.109 11.919 1.00 61.24 H new ATOM 0 HD1 TRP A 7 -5.977 11.408 8.568 1.00 25.34 H new ATOM 0 HE1 TRP A 7 -8.236 10.150 8.649 1.00 0.51 H new ATOM 0 HE3 TRP A 7 -5.857 9.964 13.470 1.00 12.21 H new ATOM 0 HZ2 TRP A 7 -9.729 8.745 10.574 1.00 23.54 H new ATOM 0 HZ3 TRP A 7 -7.745 8.661 14.364 1.00 52.20 H new ATOM 0 HH2 TRP A 7 -9.654 8.057 12.932 1.00 62.33 H new ATOM 125 N VAL A 8 -2.861 14.413 10.363 1.00 15.11 N ATOM 126 CA VAL A 8 -1.875 15.360 10.868 1.00 45.23 C ATOM 127 C VAL A 8 -2.525 16.404 11.768 1.00 11.32 C ATOM 128 O VAL A 8 -3.265 17.269 11.300 1.00 55.22 O ATOM 129 CB VAL A 8 -1.143 16.075 9.716 1.00 0.33 C ATOM 130 CG1 VAL A 8 0.057 16.847 10.244 1.00 63.35 C ATOM 131 CG2 VAL A 8 -0.718 15.075 8.652 1.00 35.53 C ATOM 0 H VAL A 8 -3.656 14.844 9.891 1.00 15.11 H new ATOM 0 HA VAL A 8 -1.152 14.785 11.447 1.00 45.23 H new ATOM 0 HB VAL A 8 -1.830 16.787 9.258 1.00 0.33 H new ATOM 0 HG11 VAL A 8 0.562 17.345 9.416 1.00 63.35 H new ATOM 0 HG12 VAL A 8 -0.278 17.592 10.966 1.00 63.35 H new ATOM 0 HG13 VAL A 8 0.749 16.158 10.728 1.00 63.35 H new ATOM 0 HG21 VAL A 8 -0.203 15.598 7.846 1.00 35.53 H new ATOM 0 HG22 VAL A 8 -0.048 14.337 9.093 1.00 35.53 H new ATOM 0 HG23 VAL A 8 -1.599 14.572 8.253 1.00 35.53 H new ATOM 141 N VAL A 9 -2.243 16.318 13.064 1.00 13.14 N ATOM 142 CA VAL A 9 -2.800 17.257 14.032 1.00 64.43 C ATOM 143 C VAL A 9 -1.763 18.293 14.450 1.00 10.15 C ATOM 144 O VAL A 9 -0.739 17.957 15.046 1.00 71.25 O ATOM 145 CB VAL A 9 -3.317 16.528 15.286 1.00 13.54 C ATOM 146 CG1 VAL A 9 -2.187 15.776 15.972 1.00 70.02 C ATOM 147 CG2 VAL A 9 -3.969 17.515 16.243 1.00 34.13 C ATOM 0 H VAL A 9 -1.632 15.608 13.468 1.00 13.14 H new ATOM 0 HA VAL A 9 -3.635 17.760 13.543 1.00 64.43 H new ATOM 0 HB VAL A 9 -4.069 15.802 14.979 1.00 13.54 H new ATOM 0 HG11 VAL A 9 -2.572 15.267 16.856 1.00 70.02 H new ATOM 0 HG12 VAL A 9 -1.769 15.041 15.284 1.00 70.02 H new ATOM 0 HG13 VAL A 9 -1.409 16.480 16.268 1.00 70.02 H new ATOM 0 HG21 VAL A 9 -4.329 16.984 17.124 1.00 34.13 H new ATOM 0 HG22 VAL A 9 -3.239 18.265 16.545 1.00 34.13 H new ATOM 0 HG23 VAL A 9 -4.807 18.004 15.746 1.00 34.13 H new ATOM 157 N ASP A 10 -2.036 19.555 14.136 1.00 22.33 N ATOM 158 CA ASP A 10 -1.128 20.642 14.481 1.00 5.14 C ATOM 159 C ASP A 10 -1.850 21.985 14.448 1.00 13.11 C ATOM 160 O ASP A 10 -2.963 22.090 13.932 1.00 33.34 O ATOM 161 CB ASP A 10 0.062 20.665 13.521 1.00 44.42 C ATOM 162 CG ASP A 10 -0.367 20.761 12.070 1.00 64.32 C ATOM 163 OD1 ASP A 10 -0.741 19.719 11.492 1.00 65.43 O ATOM 164 OD2 ASP A 10 -0.329 21.877 11.513 1.00 52.44 O ATOM 0 H ASP A 10 -2.879 19.850 13.643 1.00 22.33 H new ATOM 0 HA ASP A 10 -0.764 20.471 15.494 1.00 5.14 H new ATOM 0 HB2 ASP A 10 0.705 21.511 13.764 1.00 44.42 H new ATOM 0 HB3 ASP A 10 0.657 19.762 13.662 1.00 44.42 H new ATOM 169 N ASP A 11 -1.211 23.009 15.002 1.00 2.13 N ATOM 170 CA ASP A 11 -1.793 24.346 15.036 1.00 25.13 C ATOM 171 C ASP A 11 -1.067 25.279 14.072 1.00 2.11 C ATOM 172 O ASP A 11 -0.218 26.071 14.480 1.00 5.43 O ATOM 173 CB ASP A 11 -1.736 24.914 16.455 1.00 2.12 C ATOM 174 CG ASP A 11 -2.153 26.370 16.513 1.00 54.31 C ATOM 175 OD1 ASP A 11 -3.147 26.729 15.847 1.00 21.00 O ATOM 176 OD2 ASP A 11 -1.486 27.152 17.223 1.00 33.43 O ATOM 0 H ASP A 11 -0.290 22.939 15.434 1.00 2.13 H new ATOM 0 HA ASP A 11 -2.835 24.270 14.725 1.00 25.13 H new ATOM 0 HB2 ASP A 11 -2.385 24.327 17.104 1.00 2.12 H new ATOM 0 HB3 ASP A 11 -0.722 24.814 16.843 1.00 2.12 H new ATOM 181 N ASP A 12 -1.406 25.179 12.792 1.00 72.43 N ATOM 182 CA ASP A 12 -0.787 26.014 11.769 1.00 71.52 C ATOM 183 C ASP A 12 -1.358 25.696 10.390 1.00 44.50 C ATOM 184 O ASP A 12 -1.361 24.544 9.959 1.00 61.43 O ATOM 185 CB ASP A 12 0.729 25.813 11.765 1.00 22.14 C ATOM 186 CG ASP A 12 1.468 26.975 12.399 1.00 43.32 C ATOM 187 OD1 ASP A 12 1.093 28.136 12.128 1.00 24.41 O ATOM 188 OD2 ASP A 12 2.421 26.725 13.166 1.00 62.33 O ATOM 0 H ASP A 12 -2.106 24.528 12.437 1.00 72.43 H new ATOM 0 HA ASP A 12 -1.007 27.056 12.003 1.00 71.52 H new ATOM 0 HB2 ASP A 12 0.972 24.895 12.301 1.00 22.14 H new ATOM 0 HB3 ASP A 12 1.073 25.684 10.739 1.00 22.14 H new ATOM 193 N SER A 13 -1.840 26.727 9.704 1.00 54.34 N ATOM 194 CA SER A 13 -2.418 26.558 8.376 1.00 73.05 C ATOM 195 C SER A 13 -1.325 26.389 7.325 1.00 70.40 C ATOM 196 O SER A 13 -1.553 25.809 6.263 1.00 15.12 O ATOM 197 CB SER A 13 -3.299 27.758 8.023 1.00 40.14 C ATOM 198 OG SER A 13 -2.841 28.934 8.667 1.00 4.00 O ATOM 0 H SER A 13 -1.842 27.688 10.046 1.00 54.34 H new ATOM 0 HA SER A 13 -3.031 25.657 8.386 1.00 73.05 H new ATOM 0 HB2 SER A 13 -3.299 27.908 6.943 1.00 40.14 H new ATOM 0 HB3 SER A 13 -4.329 27.556 8.317 1.00 40.14 H new ATOM 0 HG SER A 13 -3.420 29.687 8.424 1.00 4.00 H new ATOM 204 N SER A 14 -0.136 26.899 7.630 1.00 71.13 N ATOM 205 CA SER A 14 0.993 26.808 6.711 1.00 12.41 C ATOM 206 C SER A 14 1.458 25.363 6.562 1.00 34.24 C ATOM 207 O SER A 14 1.925 24.956 5.498 1.00 10.23 O ATOM 208 CB SER A 14 2.150 27.680 7.204 1.00 74.21 C ATOM 209 OG SER A 14 2.076 28.984 6.654 1.00 63.34 O ATOM 0 H SER A 14 0.071 27.379 8.506 1.00 71.13 H new ATOM 0 HA SER A 14 0.666 27.168 5.736 1.00 12.41 H new ATOM 0 HB2 SER A 14 2.127 27.739 8.292 1.00 74.21 H new ATOM 0 HB3 SER A 14 3.099 27.220 6.930 1.00 74.21 H new ATOM 0 HG SER A 14 2.825 29.522 6.986 1.00 63.34 H new ATOM 215 N ILE A 15 1.326 24.592 7.637 1.00 55.22 N ATOM 216 CA ILE A 15 1.731 23.192 7.626 1.00 15.03 C ATOM 217 C ILE A 15 0.612 22.300 7.098 1.00 0.13 C ATOM 218 O ILE A 15 0.868 21.253 6.503 1.00 13.15 O ATOM 219 CB ILE A 15 2.134 22.712 9.033 1.00 12.11 C ATOM 220 CG1 ILE A 15 3.078 23.722 9.689 1.00 32.11 C ATOM 221 CG2 ILE A 15 2.787 21.340 8.958 1.00 75.02 C ATOM 222 CD1 ILE A 15 4.317 24.010 8.871 1.00 1.31 C ATOM 0 H ILE A 15 0.942 24.913 8.526 1.00 55.22 H new ATOM 0 HA ILE A 15 2.594 23.118 6.964 1.00 15.03 H new ATOM 0 HB ILE A 15 1.235 22.632 9.645 1.00 12.11 H new ATOM 0 HG12 ILE A 15 2.539 24.654 9.858 1.00 32.11 H new ATOM 0 HG13 ILE A 15 3.378 23.345 10.667 1.00 32.11 H new ATOM 0 HG21 ILE A 15 3.066 21.015 9.960 1.00 75.02 H new ATOM 0 HG22 ILE A 15 2.085 20.626 8.527 1.00 75.02 H new ATOM 0 HG23 ILE A 15 3.678 21.395 8.333 1.00 75.02 H new ATOM 0 HD11 ILE A 15 4.940 24.734 9.397 1.00 1.31 H new ATOM 0 HD12 ILE A 15 4.878 23.087 8.724 1.00 1.31 H new ATOM 0 HD13 ILE A 15 4.027 24.417 7.902 1.00 1.31 H new ATOM 234 N ARG A 16 -0.628 22.723 7.319 1.00 55.15 N ATOM 235 CA ARG A 16 -1.787 21.963 6.864 1.00 2.14 C ATOM 236 C ARG A 16 -1.982 22.117 5.359 1.00 50.51 C ATOM 237 O ARG A 16 -2.166 21.133 4.643 1.00 42.11 O ATOM 238 CB ARG A 16 -3.046 22.422 7.602 1.00 22.14 C ATOM 239 CG ARG A 16 -2.952 22.281 9.113 1.00 45.31 C ATOM 240 CD ARG A 16 -3.822 21.143 9.622 1.00 51.01 C ATOM 241 NE ARG A 16 -4.856 21.613 10.540 1.00 54.24 N ATOM 242 CZ ARG A 16 -6.004 22.151 10.141 1.00 63.24 C ATOM 243 NH1 ARG A 16 -6.262 22.285 8.847 1.00 13.22 N ATOM 244 NH2 ARG A 16 -6.895 22.555 11.036 1.00 33.24 N ATOM 0 H ARG A 16 -0.856 23.587 7.810 1.00 55.15 H new ATOM 0 HA ARG A 16 -1.609 20.910 7.084 1.00 2.14 H new ATOM 0 HB2 ARG A 16 -3.242 23.465 7.354 1.00 22.14 H new ATOM 0 HB3 ARG A 16 -3.898 21.844 7.244 1.00 22.14 H new ATOM 0 HG2 ARG A 16 -1.915 22.104 9.399 1.00 45.31 H new ATOM 0 HG3 ARG A 16 -3.258 23.214 9.586 1.00 45.31 H new ATOM 0 HD2 ARG A 16 -4.290 20.638 8.777 1.00 51.01 H new ATOM 0 HD3 ARG A 16 -3.197 20.406 10.127 1.00 51.01 H new ATOM 0 HE ARG A 16 -4.688 21.524 11.542 1.00 54.24 H new ATOM 0 HH11 ARG A 16 -5.579 21.975 8.156 1.00 13.22 H new ATOM 0 HH12 ARG A 16 -7.144 22.698 8.543 1.00 13.22 H new ATOM 0 HH21 ARG A 16 -6.700 22.453 12.032 1.00 33.24 H new ATOM 0 HH22 ARG A 16 -7.776 22.968 10.729 1.00 33.24 H new ATOM 258 N TRP A 17 -1.941 23.358 4.887 1.00 54.12 N ATOM 259 CA TRP A 17 -2.115 23.641 3.466 1.00 5.14 C ATOM 260 C TRP A 17 -1.146 22.817 2.625 1.00 33.12 C ATOM 261 O TRP A 17 -1.562 22.037 1.768 1.00 21.12 O ATOM 262 CB TRP A 17 -1.906 25.132 3.193 1.00 23.53 C ATOM 263 CG TRP A 17 -1.648 25.440 1.749 1.00 12.44 C ATOM 264 CD1 TRP A 17 -2.557 25.413 0.731 1.00 72.34 C ATOM 265 CD2 TRP A 17 -0.398 25.821 1.164 1.00 13.54 C ATOM 266 NE1 TRP A 17 -1.948 25.754 -0.453 1.00 24.43 N ATOM 267 CE2 TRP A 17 -0.623 26.010 -0.213 1.00 75.14 C ATOM 268 CE3 TRP A 17 0.889 26.024 1.670 1.00 35.12 C ATOM 269 CZ2 TRP A 17 0.391 26.389 -1.088 1.00 42.21 C ATOM 270 CZ3 TRP A 17 1.894 26.400 0.801 1.00 45.13 C ATOM 271 CH2 TRP A 17 1.641 26.580 -0.566 1.00 4.44 C ATOM 0 H TRP A 17 -1.789 24.184 5.466 1.00 54.12 H new ATOM 0 HA TRP A 17 -3.133 23.367 3.188 1.00 5.14 H new ATOM 0 HB2 TRP A 17 -2.788 25.682 3.523 1.00 23.53 H new ATOM 0 HB3 TRP A 17 -1.066 25.489 3.789 1.00 23.53 H new ATOM 0 HD1 TRP A 17 -3.601 25.161 0.840 1.00 72.34 H new ATOM 0 HE1 TRP A 17 -2.407 25.808 -1.362 1.00 24.43 H new ATOM 0 HE3 TRP A 17 1.094 25.889 2.722 1.00 35.12 H new ATOM 0 HZ2 TRP A 17 0.198 26.527 -2.142 1.00 42.21 H new ATOM 0 HZ3 TRP A 17 2.892 26.558 1.181 1.00 45.13 H new ATOM 0 HH2 TRP A 17 2.448 26.875 -1.220 1.00 4.44 H new ATOM 282 N VAL A 18 0.147 22.994 2.875 1.00 2.31 N ATOM 283 CA VAL A 18 1.175 22.265 2.141 1.00 13.51 C ATOM 284 C VAL A 18 0.882 20.769 2.126 1.00 42.44 C ATOM 285 O VAL A 18 0.956 20.122 1.080 1.00 34.12 O ATOM 286 CB VAL A 18 2.571 22.498 2.749 1.00 14.21 C ATOM 287 CG1 VAL A 18 3.097 23.874 2.368 1.00 73.41 C ATOM 288 CG2 VAL A 18 2.527 22.335 4.261 1.00 53.21 C ATOM 0 H VAL A 18 0.508 23.636 3.580 1.00 2.31 H new ATOM 0 HA VAL A 18 1.164 22.645 1.119 1.00 13.51 H new ATOM 0 HB VAL A 18 3.254 21.750 2.345 1.00 14.21 H new ATOM 0 HG11 VAL A 18 4.084 24.020 2.807 1.00 73.41 H new ATOM 0 HG12 VAL A 18 3.167 23.949 1.283 1.00 73.41 H new ATOM 0 HG13 VAL A 18 2.417 24.640 2.741 1.00 73.41 H new ATOM 0 HG21 VAL A 18 3.522 22.503 4.674 1.00 53.21 H new ATOM 0 HG22 VAL A 18 1.831 23.059 4.685 1.00 53.21 H new ATOM 0 HG23 VAL A 18 2.197 21.326 4.509 1.00 53.21 H new ATOM 298 N LEU A 19 0.550 20.225 3.291 1.00 52.21 N ATOM 299 CA LEU A 19 0.245 18.804 3.412 1.00 31.23 C ATOM 300 C LEU A 19 -0.792 18.379 2.378 1.00 73.03 C ATOM 301 O LEU A 19 -0.546 17.484 1.570 1.00 42.54 O ATOM 302 CB LEU A 19 -0.264 18.490 4.820 1.00 32.32 C ATOM 303 CG LEU A 19 0.795 18.061 5.837 1.00 75.34 C ATOM 304 CD1 LEU A 19 0.162 17.828 7.200 1.00 2.00 C ATOM 305 CD2 LEU A 19 1.515 16.808 5.360 1.00 73.21 C ATOM 0 H LEU A 19 0.485 20.746 4.165 1.00 52.21 H new ATOM 0 HA LEU A 19 1.162 18.244 3.230 1.00 31.23 H new ATOM 0 HB2 LEU A 19 -0.773 19.373 5.206 1.00 32.32 H new ATOM 0 HB3 LEU A 19 -1.010 17.699 4.747 1.00 32.32 H new ATOM 0 HG LEU A 19 1.527 18.863 5.932 1.00 75.34 H new ATOM 0 HD11 LEU A 19 0.930 17.523 7.911 1.00 2.00 H new ATOM 0 HD12 LEU A 19 -0.307 18.749 7.545 1.00 2.00 H new ATOM 0 HD13 LEU A 19 -0.591 17.044 7.122 1.00 2.00 H new ATOM 0 HD21 LEU A 19 2.265 16.517 6.096 1.00 73.21 H new ATOM 0 HD22 LEU A 19 0.795 15.999 5.237 1.00 73.21 H new ATOM 0 HD23 LEU A 19 2.002 17.009 4.406 1.00 73.21 H new ATOM 317 N GLU A 20 -1.952 19.029 2.408 1.00 22.53 N ATOM 318 CA GLU A 20 -3.025 18.718 1.472 1.00 54.23 C ATOM 319 C GLU A 20 -2.517 18.744 0.033 1.00 22.01 C ATOM 320 O GLU A 20 -2.851 17.873 -0.770 1.00 63.11 O ATOM 321 CB GLU A 20 -4.178 19.712 1.635 1.00 64.33 C ATOM 322 CG GLU A 20 -5.390 19.383 0.780 1.00 51.21 C ATOM 323 CD GLU A 20 -6.417 20.499 0.771 1.00 71.10 C ATOM 324 OE1 GLU A 20 -6.011 21.678 0.832 1.00 12.50 O ATOM 325 OE2 GLU A 20 -7.626 20.193 0.703 1.00 22.12 O ATOM 0 H GLU A 20 -2.172 19.773 3.070 1.00 22.53 H new ATOM 0 HA GLU A 20 -3.386 17.714 1.694 1.00 54.23 H new ATOM 0 HB2 GLU A 20 -4.479 19.738 2.682 1.00 64.33 H new ATOM 0 HB3 GLU A 20 -3.824 20.711 1.380 1.00 64.33 H new ATOM 0 HG2 GLU A 20 -5.066 19.184 -0.242 1.00 51.21 H new ATOM 0 HG3 GLU A 20 -5.855 18.469 1.151 1.00 51.21 H new ATOM 332 N ARG A 21 -1.708 19.749 -0.284 1.00 42.52 N ATOM 333 CA ARG A 21 -1.154 19.891 -1.626 1.00 34.44 C ATOM 334 C ARG A 21 -0.335 18.662 -2.008 1.00 24.45 C ATOM 335 O ARG A 21 -0.197 18.337 -3.187 1.00 32.25 O ATOM 336 CB ARG A 21 -0.283 21.145 -1.711 1.00 61.05 C ATOM 337 CG ARG A 21 -1.071 22.416 -1.983 1.00 4.32 C ATOM 338 CD ARG A 21 -0.642 23.069 -3.288 1.00 11.34 C ATOM 339 NE ARG A 21 -1.334 24.335 -3.519 1.00 64.33 N ATOM 340 CZ ARG A 21 -0.993 25.194 -4.473 1.00 52.22 C ATOM 341 NH1 ARG A 21 0.024 24.925 -5.280 1.00 52.43 N ATOM 342 NH2 ARG A 21 -1.671 26.325 -4.622 1.00 11.24 N ATOM 0 H ARG A 21 -1.421 20.477 0.370 1.00 42.52 H new ATOM 0 HA ARG A 21 -1.983 19.986 -2.327 1.00 34.44 H new ATOM 0 HB2 ARG A 21 0.265 21.260 -0.776 1.00 61.05 H new ATOM 0 HB3 ARG A 21 0.457 21.010 -2.500 1.00 61.05 H new ATOM 0 HG2 ARG A 21 -2.135 22.184 -2.024 1.00 4.32 H new ATOM 0 HG3 ARG A 21 -0.929 23.117 -1.160 1.00 4.32 H new ATOM 0 HD2 ARG A 21 0.434 23.242 -3.271 1.00 11.34 H new ATOM 0 HD3 ARG A 21 -0.842 22.390 -4.117 1.00 11.34 H new ATOM 0 HE ARG A 21 -2.121 24.572 -2.915 1.00 64.33 H new ATOM 0 HH11 ARG A 21 0.547 24.056 -5.169 1.00 52.43 H new ATOM 0 HH12 ARG A 21 0.283 25.587 -6.012 1.00 52.43 H new ATOM 0 HH21 ARG A 21 -2.455 26.535 -4.004 1.00 11.24 H new ATOM 0 HH22 ARG A 21 -1.409 26.984 -5.355 1.00 11.24 H new ATOM 356 N ALA A 22 0.208 17.983 -1.002 1.00 63.01 N ATOM 357 CA ALA A 22 1.013 16.790 -1.232 1.00 70.43 C ATOM 358 C ALA A 22 0.138 15.542 -1.299 1.00 43.32 C ATOM 359 O ALA A 22 0.156 14.811 -2.290 1.00 44.25 O ATOM 360 CB ALA A 22 2.063 16.642 -0.141 1.00 11.40 C ATOM 0 H ALA A 22 0.105 18.239 -0.020 1.00 63.01 H new ATOM 0 HA ALA A 22 1.516 16.902 -2.192 1.00 70.43 H new ATOM 0 HB1 ALA A 22 2.656 15.747 -0.326 1.00 11.40 H new ATOM 0 HB2 ALA A 22 2.715 17.516 -0.142 1.00 11.40 H new ATOM 0 HB3 ALA A 22 1.571 16.557 0.828 1.00 11.40 H new ATOM 366 N LEU A 23 -0.626 15.304 -0.239 1.00 61.22 N ATOM 367 CA LEU A 23 -1.508 14.143 -0.177 1.00 41.43 C ATOM 368 C LEU A 23 -2.526 14.172 -1.313 1.00 12.25 C ATOM 369 O LEU A 23 -2.584 13.255 -2.131 1.00 43.43 O ATOM 370 CB LEU A 23 -2.230 14.099 1.170 1.00 35.33 C ATOM 371 CG LEU A 23 -1.371 14.384 2.402 1.00 12.15 C ATOM 372 CD1 LEU A 23 -2.204 14.276 3.670 1.00 2.15 C ATOM 373 CD2 LEU A 23 -0.186 13.432 2.458 1.00 24.30 C ATOM 0 H LEU A 23 -0.653 15.899 0.589 1.00 61.22 H new ATOM 0 HA LEU A 23 -0.897 13.246 -0.284 1.00 41.43 H new ATOM 0 HB2 LEU A 23 -3.046 14.821 1.146 1.00 35.33 H new ATOM 0 HB3 LEU A 23 -2.680 13.113 1.286 1.00 35.33 H new ATOM 0 HG LEU A 23 -0.990 15.402 2.328 1.00 12.15 H new ATOM 0 HD11 LEU A 23 -1.576 14.482 4.537 1.00 2.15 H new ATOM 0 HD12 LEU A 23 -3.019 14.999 3.633 1.00 2.15 H new ATOM 0 HD13 LEU A 23 -2.615 13.270 3.751 1.00 2.15 H new ATOM 0 HD21 LEU A 23 0.414 13.650 3.341 1.00 24.30 H new ATOM 0 HD22 LEU A 23 -0.547 12.405 2.508 1.00 24.30 H new ATOM 0 HD23 LEU A 23 0.425 13.559 1.564 1.00 24.30 H new ATOM 385 N ALA A 24 -3.327 15.232 -1.356 1.00 4.32 N ATOM 386 CA ALA A 24 -4.340 15.383 -2.393 1.00 24.20 C ATOM 387 C ALA A 24 -3.723 15.269 -3.783 1.00 72.31 C ATOM 388 O ALA A 24 -4.399 14.906 -4.745 1.00 32.53 O ATOM 389 CB ALA A 24 -5.058 16.715 -2.240 1.00 0.22 C ATOM 0 H ALA A 24 -3.294 15.999 -0.684 1.00 4.32 H new ATOM 0 HA ALA A 24 -5.065 14.577 -2.278 1.00 24.20 H new ATOM 0 HB1 ALA A 24 -5.812 16.814 -3.021 1.00 0.22 H new ATOM 0 HB2 ALA A 24 -5.540 16.758 -1.263 1.00 0.22 H new ATOM 0 HB3 ALA A 24 -4.338 17.529 -2.326 1.00 0.22 H new ATOM 395 N GLY A 25 -2.435 15.582 -3.882 1.00 2.31 N ATOM 396 CA GLY A 25 -1.749 15.509 -5.159 1.00 14.30 C ATOM 397 C GLY A 25 -1.219 14.120 -5.454 1.00 12.12 C ATOM 398 O GLY A 25 -1.114 13.722 -6.613 1.00 75.34 O ATOM 0 H GLY A 25 -1.854 15.885 -3.100 1.00 2.31 H new ATOM 0 HA2 GLY A 25 -2.433 15.810 -5.953 1.00 14.30 H new ATOM 0 HA3 GLY A 25 -0.922 16.219 -5.165 1.00 14.30 H new ATOM 402 N ALA A 26 -0.882 13.381 -4.402 1.00 13.43 N ATOM 403 CA ALA A 26 -0.360 12.029 -4.554 1.00 33.05 C ATOM 404 C ALA A 26 -1.462 10.991 -4.368 1.00 51.21 C ATOM 405 O ALA A 26 -1.202 9.789 -4.365 1.00 22.10 O ATOM 406 CB ALA A 26 0.769 11.785 -3.564 1.00 22.03 C ATOM 0 H ALA A 26 -0.961 13.696 -3.435 1.00 13.43 H new ATOM 0 HA ALA A 26 0.031 11.929 -5.567 1.00 33.05 H new ATOM 0 HB1 ALA A 26 1.149 10.771 -3.689 1.00 22.03 H new ATOM 0 HB2 ALA A 26 1.572 12.499 -3.745 1.00 22.03 H new ATOM 0 HB3 ALA A 26 0.395 11.910 -2.548 1.00 22.03 H new ATOM 412 N GLY A 27 -2.695 11.465 -4.213 1.00 60.20 N ATOM 413 CA GLY A 27 -3.818 10.564 -4.028 1.00 43.12 C ATOM 414 C GLY A 27 -4.026 10.187 -2.575 1.00 3.42 C ATOM 415 O GLY A 27 -5.034 9.573 -2.223 1.00 25.31 O ATOM 0 H GLY A 27 -2.936 12.456 -4.212 1.00 60.20 H new ATOM 0 HA2 GLY A 27 -4.724 11.034 -4.411 1.00 43.12 H new ATOM 0 HA3 GLY A 27 -3.655 9.660 -4.615 1.00 43.12 H new ATOM 419 N LEU A 28 -3.070 10.554 -1.728 1.00 15.43 N ATOM 420 CA LEU A 28 -3.152 10.250 -0.303 1.00 74.24 C ATOM 421 C LEU A 28 -4.249 11.071 0.367 1.00 40.21 C ATOM 422 O LEU A 28 -4.416 12.257 0.079 1.00 31.03 O ATOM 423 CB LEU A 28 -1.809 10.522 0.375 1.00 45.44 C ATOM 424 CG LEU A 28 -0.571 9.999 -0.354 1.00 65.23 C ATOM 425 CD1 LEU A 28 0.689 10.646 0.200 1.00 51.41 C ATOM 426 CD2 LEU A 28 -0.487 8.483 -0.242 1.00 42.43 C ATOM 0 H LEU A 28 -2.229 11.062 -2.003 1.00 15.43 H new ATOM 0 HA LEU A 28 -3.398 9.194 -0.196 1.00 74.24 H new ATOM 0 HB2 LEU A 28 -1.702 11.599 0.505 1.00 45.44 H new ATOM 0 HB3 LEU A 28 -1.832 10.082 1.372 1.00 45.44 H new ATOM 0 HG LEU A 28 -0.656 10.262 -1.408 1.00 65.23 H new ATOM 0 HD11 LEU A 28 1.559 10.261 -0.331 1.00 51.41 H new ATOM 0 HD12 LEU A 28 0.632 11.726 0.068 1.00 51.41 H new ATOM 0 HD13 LEU A 28 0.780 10.415 1.261 1.00 51.41 H new ATOM 0 HD21 LEU A 28 0.400 8.128 -0.767 1.00 42.43 H new ATOM 0 HD22 LEU A 28 -0.426 8.199 0.808 1.00 42.43 H new ATOM 0 HD23 LEU A 28 -1.375 8.035 -0.688 1.00 42.43 H new ATOM 438 N THR A 29 -4.994 10.434 1.265 1.00 60.43 N ATOM 439 CA THR A 29 -6.074 11.105 1.977 1.00 22.31 C ATOM 440 C THR A 29 -5.528 12.139 2.955 1.00 41.23 C ATOM 441 O THR A 29 -4.648 11.840 3.763 1.00 63.25 O ATOM 442 CB THR A 29 -6.949 10.098 2.748 1.00 40.41 C ATOM 443 OG1 THR A 29 -7.547 9.170 1.836 1.00 24.01 O ATOM 444 CG2 THR A 29 -8.036 10.817 3.533 1.00 21.21 C ATOM 0 H THR A 29 -4.869 9.453 1.516 1.00 60.43 H new ATOM 0 HA THR A 29 -6.685 11.606 1.226 1.00 22.31 H new ATOM 0 HB THR A 29 -6.312 9.558 3.449 1.00 40.41 H new ATOM 0 HG1 THR A 29 -8.100 8.532 2.334 1.00 24.01 H new ATOM 0 HG21 THR A 29 -8.641 10.086 4.069 1.00 21.21 H new ATOM 0 HG22 THR A 29 -7.577 11.502 4.246 1.00 21.21 H new ATOM 0 HG23 THR A 29 -8.669 11.379 2.847 1.00 21.21 H new ATOM 452 N CYS A 30 -6.055 13.356 2.877 1.00 73.21 N ATOM 453 CA CYS A 30 -5.620 14.435 3.756 1.00 51.52 C ATOM 454 C CYS A 30 -6.683 14.745 4.805 1.00 73.52 C ATOM 455 O CYS A 30 -7.815 15.097 4.473 1.00 55.43 O ATOM 456 CB CYS A 30 -5.311 15.692 2.940 1.00 24.33 C ATOM 457 SG CYS A 30 -4.949 17.152 3.943 1.00 41.21 S ATOM 0 H CYS A 30 -6.784 13.620 2.214 1.00 73.21 H new ATOM 0 HA CYS A 30 -4.714 14.110 4.268 1.00 51.52 H new ATOM 0 HB2 CYS A 30 -4.459 15.490 2.290 1.00 24.33 H new ATOM 0 HB3 CYS A 30 -6.161 15.910 2.293 1.00 24.33 H new ATOM 0 HG CYS A 30 -5.878 17.303 4.840 1.00 41.21 H new ATOM 463 N THR A 31 -6.312 14.608 6.074 1.00 12.22 N ATOM 464 CA THR A 31 -7.234 14.870 7.172 1.00 30.23 C ATOM 465 C THR A 31 -6.514 15.509 8.354 1.00 11.01 C ATOM 466 O THR A 31 -5.479 15.017 8.804 1.00 22.05 O ATOM 467 CB THR A 31 -7.926 13.577 7.645 1.00 3.32 C ATOM 468 OG1 THR A 31 -8.695 13.014 6.577 1.00 42.14 O ATOM 469 CG2 THR A 31 -8.830 13.852 8.837 1.00 1.42 C ATOM 0 H THR A 31 -5.379 14.317 6.367 1.00 12.22 H new ATOM 0 HA THR A 31 -7.988 15.560 6.794 1.00 30.23 H new ATOM 0 HB THR A 31 -7.155 12.869 7.949 1.00 3.32 H new ATOM 0 HG1 THR A 31 -9.130 12.192 6.885 1.00 42.14 H new ATOM 0 HG21 THR A 31 -9.308 12.925 9.153 1.00 1.42 H new ATOM 0 HG22 THR A 31 -8.237 14.253 9.659 1.00 1.42 H new ATOM 0 HG23 THR A 31 -9.595 14.576 8.555 1.00 1.42 H new ATOM 477 N THR A 32 -7.068 16.609 8.854 1.00 34.05 N ATOM 478 CA THR A 32 -6.479 17.316 9.984 1.00 2.02 C ATOM 479 C THR A 32 -7.554 17.811 10.945 1.00 41.12 C ATOM 480 O THR A 32 -8.747 17.618 10.710 1.00 20.21 O ATOM 481 CB THR A 32 -5.632 18.515 9.517 1.00 54.12 C ATOM 482 OG1 THR A 32 -6.447 19.430 8.775 1.00 1.35 O ATOM 483 CG2 THR A 32 -4.468 18.052 8.655 1.00 44.12 C ATOM 0 H THR A 32 -7.924 17.030 8.494 1.00 34.05 H new ATOM 0 HA THR A 32 -5.835 16.604 10.500 1.00 2.02 H new ATOM 0 HB THR A 32 -5.233 19.016 10.399 1.00 54.12 H new ATOM 0 HG1 THR A 32 -6.088 19.526 7.868 1.00 1.35 H new ATOM 0 HG21 THR A 32 -3.884 18.916 8.337 1.00 44.12 H new ATOM 0 HG22 THR A 32 -3.834 17.378 9.231 1.00 44.12 H new ATOM 0 HG23 THR A 32 -4.850 17.530 7.778 1.00 44.12 H new ATOM 491 N PHE A 33 -7.124 18.451 12.027 1.00 14.42 N ATOM 492 CA PHE A 33 -8.051 18.974 13.024 1.00 12.51 C ATOM 493 C PHE A 33 -7.465 20.198 13.723 1.00 61.31 C ATOM 494 O PHE A 33 -7.795 21.334 13.387 1.00 14.31 O ATOM 495 CB PHE A 33 -8.386 17.895 14.056 1.00 51.31 C ATOM 496 CG PHE A 33 -8.948 16.641 13.450 1.00 32.15 C ATOM 497 CD1 PHE A 33 -10.302 16.536 13.173 1.00 23.14 C ATOM 498 CD2 PHE A 33 -8.123 15.567 13.158 1.00 50.11 C ATOM 499 CE1 PHE A 33 -10.821 15.382 12.617 1.00 15.41 C ATOM 500 CE2 PHE A 33 -8.637 14.411 12.601 1.00 10.10 C ATOM 501 CZ PHE A 33 -9.988 14.319 12.329 1.00 0.24 C ATOM 0 H PHE A 33 -6.140 18.620 12.236 1.00 14.42 H new ATOM 0 HA PHE A 33 -8.965 19.273 12.512 1.00 12.51 H new ATOM 0 HB2 PHE A 33 -7.484 17.646 14.616 1.00 51.31 H new ATOM 0 HB3 PHE A 33 -9.104 18.297 14.771 1.00 51.31 H new ATOM 0 HD1 PHE A 33 -10.958 17.365 13.394 1.00 23.14 H new ATOM 0 HD2 PHE A 33 -7.066 15.634 13.368 1.00 50.11 H new ATOM 0 HE1 PHE A 33 -11.878 15.312 12.408 1.00 15.41 H new ATOM 0 HE2 PHE A 33 -7.983 13.581 12.379 1.00 10.10 H new ATOM 0 HZ PHE A 33 -10.392 13.418 11.892 1.00 0.24 H new ATOM 511 N GLU A 34 -6.593 19.954 14.697 1.00 55.40 N ATOM 512 CA GLU A 34 -5.962 21.036 15.444 1.00 33.11 C ATOM 513 C GLU A 34 -5.157 20.488 16.619 1.00 42.04 C ATOM 514 O GLU A 34 -3.943 20.673 16.692 1.00 62.40 O ATOM 515 CB GLU A 34 -7.019 22.020 15.951 1.00 61.21 C ATOM 516 CG GLU A 34 -6.877 23.417 15.372 1.00 42.33 C ATOM 517 CD GLU A 34 -6.728 24.480 16.443 1.00 55.42 C ATOM 518 OE1 GLU A 34 -7.737 24.797 17.107 1.00 15.03 O ATOM 519 OE2 GLU A 34 -5.604 24.996 16.616 1.00 35.24 O ATOM 0 H GLU A 34 -6.308 19.018 14.987 1.00 55.40 H new ATOM 0 HA GLU A 34 -5.282 21.559 14.772 1.00 33.11 H new ATOM 0 HB2 GLU A 34 -8.009 21.634 15.708 1.00 61.21 H new ATOM 0 HB3 GLU A 34 -6.958 22.078 17.038 1.00 61.21 H new ATOM 0 HG2 GLU A 34 -6.009 23.447 14.713 1.00 42.33 H new ATOM 0 HG3 GLU A 34 -7.750 23.643 14.760 1.00 42.33 H new ATOM 526 N ASN A 35 -5.843 19.814 17.536 1.00 62.33 N ATOM 527 CA ASN A 35 -5.192 19.240 18.708 1.00 72.51 C ATOM 528 C ASN A 35 -5.533 17.759 18.849 1.00 52.21 C ATOM 529 O ASN A 35 -6.504 17.277 18.267 1.00 21.22 O ATOM 530 CB ASN A 35 -5.613 19.994 19.971 1.00 24.30 C ATOM 531 CG ASN A 35 -5.261 21.468 19.909 1.00 63.55 C ATOM 532 OD1 ASN A 35 -4.246 21.851 19.326 1.00 21.44 O ATOM 533 ND2 ASN A 35 -6.100 22.302 20.510 1.00 13.12 N ATOM 0 H ASN A 35 -6.849 19.652 17.490 1.00 62.33 H new ATOM 0 HA ASN A 35 -4.114 19.336 18.578 1.00 72.51 H new ATOM 0 HB2 ASN A 35 -6.688 19.886 20.114 1.00 24.30 H new ATOM 0 HB3 ASN A 35 -5.129 19.544 20.838 1.00 24.30 H new ATOM 0 HD21 ASN A 35 -5.916 23.305 20.501 1.00 13.12 H new ATOM 0 HD22 ASN A 35 -6.929 21.940 20.981 1.00 13.12 H new ATOM 540 N GLY A 36 -4.727 17.043 19.627 1.00 41.01 N ATOM 541 CA GLY A 36 -4.960 15.625 19.831 1.00 43.20 C ATOM 542 C GLY A 36 -6.387 15.326 20.245 1.00 61.21 C ATOM 543 O GLY A 36 -6.901 14.240 19.982 1.00 75.24 O ATOM 0 H GLY A 36 -3.917 17.419 20.120 1.00 41.01 H new ATOM 0 HA2 GLY A 36 -4.731 15.086 18.911 1.00 43.20 H new ATOM 0 HA3 GLY A 36 -4.278 15.254 20.596 1.00 43.20 H new ATOM 547 N ASN A 37 -7.027 16.291 20.896 1.00 14.04 N ATOM 548 CA ASN A 37 -8.403 16.124 21.350 1.00 54.31 C ATOM 549 C ASN A 37 -9.299 15.652 20.208 1.00 1.34 C ATOM 550 O ASN A 37 -9.955 14.616 20.309 1.00 24.03 O ATOM 551 CB ASN A 37 -8.937 17.439 21.921 1.00 10.52 C ATOM 552 CG ASN A 37 -10.110 17.229 22.859 1.00 22.33 C ATOM 553 OD1 ASN A 37 -10.471 16.095 23.175 1.00 64.21 O ATOM 554 ND2 ASN A 37 -10.711 18.324 23.310 1.00 72.34 N ATOM 0 H ASN A 37 -6.615 17.197 21.121 1.00 14.04 H new ATOM 0 HA ASN A 37 -8.411 15.366 22.133 1.00 54.31 H new ATOM 0 HB2 ASN A 37 -8.136 17.952 22.454 1.00 10.52 H new ATOM 0 HB3 ASN A 37 -9.243 18.090 21.102 1.00 10.52 H new ATOM 0 HD21 ASN A 37 -11.506 18.245 23.945 1.00 72.34 H new ATOM 0 HD22 ASN A 37 -10.378 19.244 23.022 1.00 72.34 H new ATOM 561 N GLU A 38 -9.320 16.420 19.123 1.00 1.35 N ATOM 562 CA GLU A 38 -10.135 16.080 17.963 1.00 11.13 C ATOM 563 C GLU A 38 -9.755 14.708 17.415 1.00 61.23 C ATOM 564 O GLU A 38 -10.600 13.822 17.286 1.00 54.31 O ATOM 565 CB GLU A 38 -9.975 17.140 16.871 1.00 13.24 C ATOM 566 CG GLU A 38 -10.597 18.480 17.228 1.00 3.03 C ATOM 567 CD GLU A 38 -9.581 19.470 17.764 1.00 43.10 C ATOM 568 OE1 GLU A 38 -8.834 19.107 18.697 1.00 32.21 O ATOM 569 OE2 GLU A 38 -9.532 20.607 17.251 1.00 51.41 O ATOM 0 H GLU A 38 -8.782 17.281 19.023 1.00 1.35 H new ATOM 0 HA GLU A 38 -11.178 16.050 18.280 1.00 11.13 H new ATOM 0 HB2 GLU A 38 -8.914 17.284 16.669 1.00 13.24 H new ATOM 0 HB3 GLU A 38 -10.428 16.772 15.950 1.00 13.24 H new ATOM 0 HG2 GLU A 38 -11.077 18.900 16.344 1.00 3.03 H new ATOM 0 HG3 GLU A 38 -11.378 18.327 17.973 1.00 3.03 H new ATOM 576 N VAL A 39 -8.476 14.539 17.092 1.00 14.33 N ATOM 577 CA VAL A 39 -7.983 13.276 16.558 1.00 22.30 C ATOM 578 C VAL A 39 -8.403 12.105 17.439 1.00 30.23 C ATOM 579 O VAL A 39 -8.566 10.981 16.962 1.00 43.12 O ATOM 580 CB VAL A 39 -6.448 13.282 16.429 1.00 0.12 C ATOM 581 CG1 VAL A 39 -5.915 11.861 16.323 1.00 1.45 C ATOM 582 CG2 VAL A 39 -6.018 14.112 15.229 1.00 1.44 C ATOM 0 H VAL A 39 -7.763 15.262 17.191 1.00 14.33 H new ATOM 0 HA VAL A 39 -8.423 13.158 15.568 1.00 22.30 H new ATOM 0 HB VAL A 39 -6.027 13.736 17.326 1.00 0.12 H new ATOM 0 HG11 VAL A 39 -4.829 11.886 16.233 1.00 1.45 H new ATOM 0 HG12 VAL A 39 -6.192 11.301 17.216 1.00 1.45 H new ATOM 0 HG13 VAL A 39 -6.341 11.377 15.444 1.00 1.45 H new ATOM 0 HG21 VAL A 39 -4.931 14.105 15.153 1.00 1.44 H new ATOM 0 HG22 VAL A 39 -6.448 13.689 14.321 1.00 1.44 H new ATOM 0 HG23 VAL A 39 -6.367 15.137 15.352 1.00 1.44 H new ATOM 592 N LEU A 40 -8.578 12.375 18.728 1.00 31.21 N ATOM 593 CA LEU A 40 -8.981 11.343 19.678 1.00 4.41 C ATOM 594 C LEU A 40 -10.284 10.681 19.243 1.00 64.44 C ATOM 595 O LEU A 40 -10.331 9.472 19.013 1.00 4.54 O ATOM 596 CB LEU A 40 -9.143 11.944 21.075 1.00 0.53 C ATOM 597 CG LEU A 40 -8.773 11.032 22.245 1.00 0.55 C ATOM 598 CD1 LEU A 40 -9.593 9.752 22.205 1.00 51.43 C ATOM 599 CD2 LEU A 40 -7.285 10.715 22.225 1.00 42.43 C ATOM 0 H LEU A 40 -8.447 13.299 19.139 1.00 31.21 H new ATOM 0 HA LEU A 40 -8.200 10.583 19.704 1.00 4.41 H new ATOM 0 HB2 LEU A 40 -8.531 12.844 21.135 1.00 0.53 H new ATOM 0 HB3 LEU A 40 -10.181 12.255 21.197 1.00 0.53 H new ATOM 0 HG LEU A 40 -9.000 11.555 23.174 1.00 0.55 H new ATOM 0 HD11 LEU A 40 -9.316 9.116 23.045 1.00 51.43 H new ATOM 0 HD12 LEU A 40 -10.653 9.997 22.270 1.00 51.43 H new ATOM 0 HD13 LEU A 40 -9.399 9.225 21.271 1.00 51.43 H new ATOM 0 HD21 LEU A 40 -7.040 10.065 23.065 1.00 42.43 H new ATOM 0 HD22 LEU A 40 -7.033 10.212 21.291 1.00 42.43 H new ATOM 0 HD23 LEU A 40 -6.715 11.641 22.304 1.00 42.43 H new ATOM 611 N ALA A 41 -11.339 11.480 19.129 1.00 41.34 N ATOM 612 CA ALA A 41 -12.641 10.972 18.716 1.00 14.23 C ATOM 613 C ALA A 41 -12.531 10.158 17.432 1.00 74.41 C ATOM 614 O ALA A 41 -13.305 9.228 17.207 1.00 35.44 O ATOM 615 CB ALA A 41 -13.622 12.121 18.533 1.00 70.04 C ATOM 0 H ALA A 41 -11.318 12.482 19.317 1.00 41.34 H new ATOM 0 HA ALA A 41 -13.012 10.313 19.501 1.00 14.23 H new ATOM 0 HB1 ALA A 41 -14.590 11.727 18.224 1.00 70.04 H new ATOM 0 HB2 ALA A 41 -13.732 12.659 19.475 1.00 70.04 H new ATOM 0 HB3 ALA A 41 -13.247 12.801 17.769 1.00 70.04 H new ATOM 621 N ALA A 42 -11.565 10.514 16.592 1.00 72.42 N ATOM 622 CA ALA A 42 -11.354 9.814 15.330 1.00 4.44 C ATOM 623 C ALA A 42 -10.537 8.544 15.538 1.00 63.45 C ATOM 624 O ALA A 42 -10.768 7.530 14.877 1.00 35.35 O ATOM 625 CB ALA A 42 -10.665 10.730 14.329 1.00 62.42 C ATOM 0 H ALA A 42 -10.916 11.282 16.762 1.00 72.42 H new ATOM 0 HA ALA A 42 -12.328 9.527 14.933 1.00 4.44 H new ATOM 0 HB1 ALA A 42 -10.513 10.196 13.391 1.00 62.42 H new ATOM 0 HB2 ALA A 42 -11.287 11.607 14.150 1.00 62.42 H new ATOM 0 HB3 ALA A 42 -9.700 11.044 14.728 1.00 62.42 H new ATOM 631 N LEU A 43 -9.580 8.604 16.457 1.00 42.31 N ATOM 632 CA LEU A 43 -8.727 7.458 16.751 1.00 71.32 C ATOM 633 C LEU A 43 -9.542 6.309 17.337 1.00 50.05 C ATOM 634 O LEU A 43 -9.435 5.168 16.889 1.00 24.44 O ATOM 635 CB LEU A 43 -7.617 7.859 17.724 1.00 70.32 C ATOM 636 CG LEU A 43 -6.415 8.579 17.111 1.00 14.12 C ATOM 637 CD1 LEU A 43 -5.441 9.009 18.197 1.00 43.15 C ATOM 638 CD2 LEU A 43 -5.722 7.687 16.092 1.00 41.33 C ATOM 0 H LEU A 43 -9.375 9.435 17.012 1.00 42.31 H new ATOM 0 HA LEU A 43 -8.278 7.121 15.817 1.00 71.32 H new ATOM 0 HB2 LEU A 43 -8.048 8.503 18.491 1.00 70.32 H new ATOM 0 HB3 LEU A 43 -7.259 6.960 18.226 1.00 70.32 H new ATOM 0 HG LEU A 43 -6.772 9.472 16.598 1.00 14.12 H new ATOM 0 HD11 LEU A 43 -4.592 9.520 17.743 1.00 43.15 H new ATOM 0 HD12 LEU A 43 -5.943 9.685 18.889 1.00 43.15 H new ATOM 0 HD13 LEU A 43 -5.089 8.131 18.738 1.00 43.15 H new ATOM 0 HD21 LEU A 43 -4.869 8.216 15.666 1.00 41.33 H new ATOM 0 HD22 LEU A 43 -5.377 6.776 16.581 1.00 41.33 H new ATOM 0 HD23 LEU A 43 -6.423 7.429 15.298 1.00 41.33 H new ATOM 650 N ALA A 44 -10.358 6.620 18.338 1.00 33.02 N ATOM 651 CA ALA A 44 -11.195 5.615 18.982 1.00 23.21 C ATOM 652 C ALA A 44 -12.064 4.888 17.961 1.00 2.04 C ATOM 653 O ALA A 44 -12.479 3.751 18.184 1.00 75.15 O ATOM 654 CB ALA A 44 -12.062 6.258 20.054 1.00 11.00 C ATOM 0 H ALA A 44 -10.458 7.560 18.721 1.00 33.02 H new ATOM 0 HA ALA A 44 -10.541 4.880 19.452 1.00 23.21 H new ATOM 0 HB1 ALA A 44 -12.682 5.496 20.526 1.00 11.00 H new ATOM 0 HB2 ALA A 44 -11.425 6.725 20.805 1.00 11.00 H new ATOM 0 HB3 ALA A 44 -12.701 7.015 19.599 1.00 11.00 H new ATOM 660 N SER A 45 -12.335 5.552 16.843 1.00 54.25 N ATOM 661 CA SER A 45 -13.159 4.971 15.789 1.00 33.43 C ATOM 662 C SER A 45 -12.299 4.210 14.784 1.00 13.42 C ATOM 663 O SER A 45 -12.622 3.087 14.396 1.00 15.52 O ATOM 664 CB SER A 45 -13.955 6.063 15.073 1.00 11.51 C ATOM 665 OG SER A 45 -15.349 5.832 15.179 1.00 31.21 O ATOM 0 H SER A 45 -11.996 6.493 16.643 1.00 54.25 H new ATOM 0 HA SER A 45 -13.854 4.270 16.251 1.00 33.43 H new ATOM 0 HB2 SER A 45 -13.711 7.035 15.501 1.00 11.51 H new ATOM 0 HB3 SER A 45 -13.668 6.097 14.022 1.00 11.51 H new ATOM 0 HG SER A 45 -15.835 6.545 14.715 1.00 31.21 H new ATOM 671 N LYS A 46 -11.202 4.831 14.366 1.00 45.03 N ATOM 672 CA LYS A 46 -10.292 4.215 13.407 1.00 52.13 C ATOM 673 C LYS A 46 -8.897 4.822 13.513 1.00 62.21 C ATOM 674 O LYS A 46 -8.745 6.013 13.785 1.00 11.21 O ATOM 675 CB LYS A 46 -10.827 4.386 11.983 1.00 32.11 C ATOM 676 CG LYS A 46 -10.442 3.252 11.048 1.00 11.35 C ATOM 677 CD LYS A 46 -9.812 3.775 9.768 1.00 21.33 C ATOM 678 CE LYS A 46 -8.293 3.776 9.855 1.00 73.01 C ATOM 679 NZ LYS A 46 -7.717 2.447 9.509 1.00 1.14 N ATOM 0 H LYS A 46 -10.921 5.761 14.676 1.00 45.03 H new ATOM 0 HA LYS A 46 -10.225 3.152 13.639 1.00 52.13 H new ATOM 0 HB2 LYS A 46 -11.914 4.463 12.019 1.00 32.11 H new ATOM 0 HB3 LYS A 46 -10.454 5.325 11.574 1.00 32.11 H new ATOM 0 HG2 LYS A 46 -9.743 2.585 11.552 1.00 11.35 H new ATOM 0 HG3 LYS A 46 -11.326 2.663 10.805 1.00 11.35 H new ATOM 0 HD2 LYS A 46 -10.129 3.159 8.927 1.00 21.33 H new ATOM 0 HD3 LYS A 46 -10.167 4.787 9.573 1.00 21.33 H new ATOM 0 HE2 LYS A 46 -7.891 4.533 9.181 1.00 73.01 H new ATOM 0 HE3 LYS A 46 -7.987 4.053 10.864 1.00 73.01 H new ATOM 0 HZ1 LYS A 46 -6.846 2.293 10.056 1.00 1.14 H new ATOM 0 HZ2 LYS A 46 -8.405 1.701 9.736 1.00 1.14 H new ATOM 0 HZ3 LYS A 46 -7.497 2.418 8.493 1.00 1.14 H new ATOM 693 N THR A 47 -7.879 3.995 13.295 1.00 44.11 N ATOM 694 CA THR A 47 -6.496 4.450 13.366 1.00 41.23 C ATOM 695 C THR A 47 -5.820 4.368 12.002 1.00 5.11 C ATOM 696 O THR A 47 -5.802 3.322 11.353 1.00 52.22 O ATOM 697 CB THR A 47 -5.683 3.623 14.380 1.00 75.03 C ATOM 698 OG1 THR A 47 -6.438 2.479 14.796 1.00 52.43 O ATOM 699 CG2 THR A 47 -5.316 4.464 15.593 1.00 34.54 C ATOM 0 H THR A 47 -7.987 3.006 13.068 1.00 44.11 H new ATOM 0 HA THR A 47 -6.522 5.489 13.694 1.00 41.23 H new ATOM 0 HB THR A 47 -4.764 3.294 13.895 1.00 75.03 H new ATOM 0 HG1 THR A 47 -6.056 2.118 15.623 1.00 52.43 H new ATOM 0 HG21 THR A 47 -4.742 3.859 16.295 1.00 34.54 H new ATOM 0 HG22 THR A 47 -4.717 5.318 15.276 1.00 34.54 H new ATOM 0 HG23 THR A 47 -6.225 4.819 16.078 1.00 34.54 H new ATOM 707 N PRO A 48 -5.248 5.496 11.555 1.00 4.24 N ATOM 708 CA PRO A 48 -4.558 5.577 10.264 1.00 22.45 C ATOM 709 C PRO A 48 -3.249 4.794 10.257 1.00 51.02 C ATOM 710 O PRO A 48 -2.966 4.030 11.180 1.00 11.20 O ATOM 711 CB PRO A 48 -4.286 7.074 10.100 1.00 54.00 C ATOM 712 CG PRO A 48 -4.251 7.608 11.490 1.00 31.45 C ATOM 713 CD PRO A 48 -5.230 6.780 12.277 1.00 61.14 C ATOM 0 HA PRO A 48 -5.151 5.147 9.457 1.00 22.45 H new ATOM 0 HB2 PRO A 48 -3.342 7.251 9.584 1.00 54.00 H new ATOM 0 HB3 PRO A 48 -5.066 7.556 9.511 1.00 54.00 H new ATOM 0 HG2 PRO A 48 -3.249 7.533 11.912 1.00 31.45 H new ATOM 0 HG3 PRO A 48 -4.527 8.662 11.510 1.00 31.45 H new ATOM 0 HD2 PRO A 48 -4.910 6.655 13.312 1.00 61.14 H new ATOM 0 HD3 PRO A 48 -6.217 7.241 12.302 1.00 61.14 H new ATOM 721 N ASP A 49 -2.455 4.989 9.210 1.00 4.43 N ATOM 722 CA ASP A 49 -1.174 4.303 9.084 1.00 73.35 C ATOM 723 C ASP A 49 -0.095 5.010 9.898 1.00 74.12 C ATOM 724 O ASP A 49 0.538 4.407 10.765 1.00 51.34 O ATOM 725 CB ASP A 49 -0.755 4.228 7.615 1.00 61.44 C ATOM 726 CG ASP A 49 -0.637 2.800 7.118 1.00 34.24 C ATOM 727 OD1 ASP A 49 0.068 2.001 7.770 1.00 44.23 O ATOM 728 OD2 ASP A 49 -1.252 2.481 6.079 1.00 22.13 O ATOM 0 H ASP A 49 -2.676 5.616 8.436 1.00 4.43 H new ATOM 0 HA ASP A 49 -1.292 3.292 9.473 1.00 73.35 H new ATOM 0 HB2 ASP A 49 -1.483 4.763 7.005 1.00 61.44 H new ATOM 0 HB3 ASP A 49 0.202 4.734 7.487 1.00 61.44 H new ATOM 733 N VAL A 50 0.109 6.292 9.612 1.00 24.14 N ATOM 734 CA VAL A 50 1.112 7.082 10.318 1.00 74.40 C ATOM 735 C VAL A 50 0.613 8.499 10.575 1.00 10.13 C ATOM 736 O VAL A 50 0.167 9.188 9.657 1.00 14.42 O ATOM 737 CB VAL A 50 2.432 7.149 9.527 1.00 14.13 C ATOM 738 CG1 VAL A 50 3.446 8.020 10.254 1.00 74.52 C ATOM 739 CG2 VAL A 50 2.985 5.751 9.296 1.00 44.34 C ATOM 0 H VAL A 50 -0.406 6.806 8.897 1.00 24.14 H new ATOM 0 HA VAL A 50 1.294 6.585 11.271 1.00 74.40 H new ATOM 0 HB VAL A 50 2.232 7.601 8.555 1.00 14.13 H new ATOM 0 HG11 VAL A 50 4.372 8.056 9.681 1.00 74.52 H new ATOM 0 HG12 VAL A 50 3.047 9.029 10.363 1.00 74.52 H new ATOM 0 HG13 VAL A 50 3.646 7.600 11.240 1.00 74.52 H new ATOM 0 HG21 VAL A 50 3.918 5.817 8.736 1.00 44.34 H new ATOM 0 HG22 VAL A 50 3.172 5.270 10.256 1.00 44.34 H new ATOM 0 HG23 VAL A 50 2.263 5.163 8.730 1.00 44.34 H new ATOM 749 N LEU A 51 0.692 8.929 11.830 1.00 40.44 N ATOM 750 CA LEU A 51 0.249 10.267 12.209 1.00 22.41 C ATOM 751 C LEU A 51 1.358 11.022 12.935 1.00 41.04 C ATOM 752 O LEU A 51 1.962 10.507 13.877 1.00 73.44 O ATOM 753 CB LEU A 51 -0.992 10.181 13.099 1.00 21.22 C ATOM 754 CG LEU A 51 -1.383 11.465 13.831 1.00 2.13 C ATOM 755 CD1 LEU A 51 -2.893 11.554 13.983 1.00 54.42 C ATOM 756 CD2 LEU A 51 -0.704 11.531 15.192 1.00 43.35 C ATOM 0 H LEU A 51 1.058 8.371 12.602 1.00 40.44 H new ATOM 0 HA LEU A 51 -0.001 10.812 11.299 1.00 22.41 H new ATOM 0 HB2 LEU A 51 -1.835 9.866 12.484 1.00 21.22 H new ATOM 0 HB3 LEU A 51 -0.829 9.399 13.841 1.00 21.22 H new ATOM 0 HG LEU A 51 -1.047 12.315 13.237 1.00 2.13 H new ATOM 0 HD11 LEU A 51 -3.152 12.474 14.506 1.00 54.42 H new ATOM 0 HD12 LEU A 51 -3.359 11.553 12.997 1.00 54.42 H new ATOM 0 HD13 LEU A 51 -3.252 10.698 14.554 1.00 54.42 H new ATOM 0 HD21 LEU A 51 -0.994 12.451 15.699 1.00 43.35 H new ATOM 0 HD22 LEU A 51 -1.009 10.674 15.793 1.00 43.35 H new ATOM 0 HD23 LEU A 51 0.378 11.515 15.060 1.00 43.35 H new ATOM 768 N LEU A 52 1.620 12.247 12.492 1.00 61.33 N ATOM 769 CA LEU A 52 2.655 13.075 13.100 1.00 2.22 C ATOM 770 C LEU A 52 2.101 13.852 14.291 1.00 64.44 C ATOM 771 O LEU A 52 1.671 14.996 14.152 1.00 54.32 O ATOM 772 CB LEU A 52 3.232 14.045 12.068 1.00 40.42 C ATOM 773 CG LEU A 52 3.830 13.411 10.811 1.00 15.32 C ATOM 774 CD1 LEU A 52 2.906 13.615 9.620 1.00 63.20 C ATOM 775 CD2 LEU A 52 5.208 13.990 10.525 1.00 15.13 C ATOM 0 H LEU A 52 1.130 12.688 11.714 1.00 61.33 H new ATOM 0 HA LEU A 52 3.449 12.418 13.455 1.00 2.22 H new ATOM 0 HB2 LEU A 52 2.442 14.732 11.764 1.00 40.42 H new ATOM 0 HB3 LEU A 52 4.005 14.642 12.552 1.00 40.42 H new ATOM 0 HG LEU A 52 3.937 12.340 10.983 1.00 15.32 H new ATOM 0 HD11 LEU A 52 3.347 13.158 8.735 1.00 63.20 H new ATOM 0 HD12 LEU A 52 1.941 13.152 9.825 1.00 63.20 H new ATOM 0 HD13 LEU A 52 2.767 14.682 9.446 1.00 63.20 H new ATOM 0 HD21 LEU A 52 5.618 13.527 9.627 1.00 15.13 H new ATOM 0 HD22 LEU A 52 5.126 15.066 10.373 1.00 15.13 H new ATOM 0 HD23 LEU A 52 5.868 13.792 11.369 1.00 15.13 H new ATOM 787 N SER A 53 2.118 13.222 15.461 1.00 61.41 N ATOM 788 CA SER A 53 1.616 13.853 16.676 1.00 60.41 C ATOM 789 C SER A 53 2.425 15.101 17.014 1.00 41.22 C ATOM 790 O SER A 53 3.530 15.294 16.507 1.00 42.34 O ATOM 791 CB SER A 53 1.665 12.867 17.845 1.00 2.33 C ATOM 792 OG SER A 53 2.774 11.993 17.729 1.00 4.13 O ATOM 0 H SER A 53 2.474 12.275 15.593 1.00 61.41 H new ATOM 0 HA SER A 53 0.581 14.148 16.502 1.00 60.41 H new ATOM 0 HB2 SER A 53 1.727 13.415 18.785 1.00 2.33 H new ATOM 0 HB3 SER A 53 0.743 12.287 17.875 1.00 2.33 H new ATOM 0 HG SER A 53 2.784 11.374 18.489 1.00 4.13 H new ATOM 798 N ASP A 54 1.866 15.946 17.874 1.00 63.44 N ATOM 799 CA ASP A 54 2.535 17.176 18.281 1.00 31.12 C ATOM 800 C ASP A 54 2.506 17.333 19.798 1.00 24.23 C ATOM 801 O ASP A 54 1.535 16.953 20.453 1.00 24.52 O ATOM 802 CB ASP A 54 1.873 18.385 17.618 1.00 20.04 C ATOM 803 CG ASP A 54 2.662 18.898 16.430 1.00 4.11 C ATOM 804 OD1 ASP A 54 2.865 18.122 15.473 1.00 12.12 O ATOM 805 OD2 ASP A 54 3.078 20.075 16.458 1.00 45.55 O ATOM 0 H ASP A 54 0.952 15.801 18.302 1.00 63.44 H new ATOM 0 HA ASP A 54 3.575 17.119 17.959 1.00 31.12 H new ATOM 0 HB2 ASP A 54 0.869 18.113 17.293 1.00 20.04 H new ATOM 0 HB3 ASP A 54 1.765 19.184 18.351 1.00 20.04 H new ATOM 810 N ILE A 55 3.577 17.894 20.350 1.00 20.21 N ATOM 811 CA ILE A 55 3.674 18.101 21.790 1.00 61.43 C ATOM 812 C ILE A 55 3.797 19.583 22.125 1.00 1.11 C ATOM 813 O ILE A 55 4.201 19.949 23.229 1.00 64.31 O ATOM 814 CB ILE A 55 4.879 17.349 22.386 1.00 13.15 C ATOM 815 CG1 ILE A 55 6.069 17.406 21.427 1.00 3.22 C ATOM 816 CG2 ILE A 55 4.505 15.906 22.690 1.00 20.03 C ATOM 817 CD1 ILE A 55 6.095 16.271 20.428 1.00 23.31 C ATOM 0 H ILE A 55 4.389 18.213 19.822 1.00 20.21 H new ATOM 0 HA ILE A 55 2.757 17.707 22.229 1.00 61.43 H new ATOM 0 HB ILE A 55 5.166 17.834 23.319 1.00 13.15 H new ATOM 0 HG12 ILE A 55 6.046 18.353 20.888 1.00 3.22 H new ATOM 0 HG13 ILE A 55 6.993 17.391 22.006 1.00 3.22 H new ATOM 0 HG21 ILE A 55 5.367 15.388 23.111 1.00 20.03 H new ATOM 0 HG22 ILE A 55 3.684 15.886 23.407 1.00 20.03 H new ATOM 0 HG23 ILE A 55 4.196 15.409 21.771 1.00 20.03 H new ATOM 0 HD11 ILE A 55 6.966 16.376 19.781 1.00 23.31 H new ATOM 0 HD12 ILE A 55 6.150 15.320 20.959 1.00 23.31 H new ATOM 0 HD13 ILE A 55 5.188 16.297 19.824 1.00 23.31 H new ATOM 829 N ARG A 56 3.444 20.432 21.166 1.00 42.43 N ATOM 830 CA ARG A 56 3.514 21.876 21.359 1.00 24.33 C ATOM 831 C ARG A 56 2.207 22.544 20.943 1.00 4.33 C ATOM 832 O ARG A 56 2.210 23.641 20.385 1.00 61.11 O ATOM 833 CB ARG A 56 4.678 22.463 20.558 1.00 13.21 C ATOM 834 CG ARG A 56 5.038 23.884 20.960 1.00 21.03 C ATOM 835 CD ARG A 56 5.543 24.688 19.772 1.00 1.04 C ATOM 836 NE ARG A 56 6.080 25.985 20.177 1.00 34.54 N ATOM 837 CZ ARG A 56 6.844 26.740 19.397 1.00 61.13 C ATOM 838 NH1 ARG A 56 7.160 26.330 18.176 1.00 52.21 N ATOM 839 NH2 ARG A 56 7.294 27.908 19.837 1.00 42.04 N ATOM 0 H ARG A 56 3.106 20.145 20.247 1.00 42.43 H new ATOM 0 HA ARG A 56 3.678 22.068 22.419 1.00 24.33 H new ATOM 0 HB2 ARG A 56 5.553 21.826 20.685 1.00 13.21 H new ATOM 0 HB3 ARG A 56 4.423 22.448 19.498 1.00 13.21 H new ATOM 0 HG2 ARG A 56 4.164 24.375 21.388 1.00 21.03 H new ATOM 0 HG3 ARG A 56 5.803 23.861 21.737 1.00 21.03 H new ATOM 0 HD2 ARG A 56 6.316 24.121 19.253 1.00 1.04 H new ATOM 0 HD3 ARG A 56 4.729 24.838 19.063 1.00 1.04 H new ATOM 0 HE ARG A 56 5.855 26.329 21.111 1.00 34.54 H new ATOM 0 HH11 ARG A 56 6.816 25.433 17.834 1.00 52.21 H new ATOM 0 HH12 ARG A 56 7.747 26.912 17.579 1.00 52.21 H new ATOM 0 HH21 ARG A 56 7.053 28.227 20.776 1.00 42.04 H new ATOM 0 HH22 ARG A 56 7.881 28.487 19.237 1.00 42.04 H new ATOM 853 N MET A 57 1.093 21.875 21.219 1.00 14.30 N ATOM 854 CA MET A 57 -0.221 22.405 20.874 1.00 54.31 C ATOM 855 C MET A 57 -0.955 22.894 22.119 1.00 44.30 C ATOM 856 O MET A 57 -0.699 22.444 23.236 1.00 74.41 O ATOM 857 CB MET A 57 -1.055 21.337 20.163 1.00 11.33 C ATOM 858 CG MET A 57 -0.483 20.913 18.820 1.00 2.45 C ATOM 859 SD MET A 57 -1.381 19.532 18.088 1.00 44.14 S ATOM 860 CE MET A 57 -1.198 18.292 19.367 1.00 2.34 C ATOM 0 H MET A 57 1.074 20.965 21.680 1.00 14.30 H new ATOM 0 HA MET A 57 -0.078 23.251 20.202 1.00 54.31 H new ATOM 0 HB2 MET A 57 -1.135 20.461 20.807 1.00 11.33 H new ATOM 0 HB3 MET A 57 -2.066 21.717 20.015 1.00 11.33 H new ATOM 0 HG2 MET A 57 -0.507 21.761 18.135 1.00 2.45 H new ATOM 0 HG3 MET A 57 0.563 20.635 18.947 1.00 2.45 H new ATOM 0 HE1 MET A 57 -1.089 17.309 18.908 1.00 2.34 H new ATOM 0 HE2 MET A 57 -0.314 18.513 19.964 1.00 2.34 H new ATOM 0 HE3 MET A 57 -2.080 18.298 20.008 1.00 2.34 H new ATOM 870 N PRO A 58 -1.887 23.839 21.925 1.00 32.51 N ATOM 871 CA PRO A 58 -2.676 24.409 23.021 1.00 32.32 C ATOM 872 C PRO A 58 -3.670 23.408 23.602 1.00 44.11 C ATOM 873 O PRO A 58 -4.060 23.509 24.764 1.00 5.13 O ATOM 874 CB PRO A 58 -3.416 25.573 22.357 1.00 20.15 C ATOM 875 CG PRO A 58 -3.496 25.199 20.918 1.00 75.14 C ATOM 876 CD PRO A 58 -2.244 24.422 20.621 1.00 63.11 C ATOM 0 HA PRO A 58 -2.050 24.708 23.862 1.00 32.32 H new ATOM 0 HB2 PRO A 58 -4.409 25.708 22.787 1.00 20.15 H new ATOM 0 HB3 PRO A 58 -2.880 26.512 22.493 1.00 20.15 H new ATOM 0 HG2 PRO A 58 -4.384 24.599 20.720 1.00 75.14 H new ATOM 0 HG3 PRO A 58 -3.564 26.086 20.288 1.00 75.14 H new ATOM 0 HD2 PRO A 58 -2.418 23.651 19.870 1.00 63.11 H new ATOM 0 HD3 PRO A 58 -1.452 25.066 20.239 1.00 63.11 H new ATOM 884 N GLY A 59 -4.075 22.441 22.784 1.00 14.22 N ATOM 885 CA GLY A 59 -5.020 21.436 23.235 1.00 22.14 C ATOM 886 C GLY A 59 -4.587 20.773 24.528 1.00 73.31 C ATOM 887 O GLY A 59 -5.022 21.165 25.610 1.00 34.32 O ATOM 0 H GLY A 59 -3.766 22.336 21.818 1.00 14.22 H new ATOM 0 HA2 GLY A 59 -5.997 21.898 23.376 1.00 22.14 H new ATOM 0 HA3 GLY A 59 -5.135 20.677 22.462 1.00 22.14 H new ATOM 891 N MET A 60 -3.729 19.764 24.415 1.00 35.13 N ATOM 892 CA MET A 60 -3.239 19.044 25.585 1.00 4.40 C ATOM 893 C MET A 60 -1.760 18.702 25.432 1.00 41.41 C ATOM 894 O MET A 60 -0.898 19.353 26.024 1.00 53.04 O ATOM 895 CB MET A 60 -4.050 17.766 25.801 1.00 31.34 C ATOM 896 CG MET A 60 -4.794 17.301 24.560 1.00 22.50 C ATOM 897 SD MET A 60 -5.707 15.769 24.830 1.00 4.22 S ATOM 898 CE MET A 60 -5.573 15.006 23.215 1.00 24.35 C ATOM 0 H MET A 60 -3.359 19.427 23.526 1.00 35.13 H new ATOM 0 HA MET A 60 -3.357 19.691 26.454 1.00 4.40 H new ATOM 0 HB2 MET A 60 -3.380 16.972 26.132 1.00 31.34 H new ATOM 0 HB3 MET A 60 -4.768 17.933 26.604 1.00 31.34 H new ATOM 0 HG2 MET A 60 -5.486 18.081 24.243 1.00 22.50 H new ATOM 0 HG3 MET A 60 -4.082 17.157 23.747 1.00 22.50 H new ATOM 0 HE1 MET A 60 -6.552 14.643 22.902 1.00 24.35 H new ATOM 0 HE2 MET A 60 -5.210 15.740 22.495 1.00 24.35 H new ATOM 0 HE3 MET A 60 -4.875 14.170 23.264 1.00 24.35 H new ATOM 908 N ASP A 61 -1.474 17.679 24.636 1.00 64.55 N ATOM 909 CA ASP A 61 -0.099 17.251 24.404 1.00 23.24 C ATOM 910 C ASP A 61 -0.055 16.033 23.487 1.00 35.31 C ATOM 911 O ASP A 61 -1.076 15.392 23.241 1.00 32.41 O ATOM 912 CB ASP A 61 0.588 16.929 25.733 1.00 40.24 C ATOM 913 CG ASP A 61 -0.353 16.281 26.729 1.00 12.30 C ATOM 914 OD1 ASP A 61 -0.759 15.124 26.495 1.00 31.11 O ATOM 915 OD2 ASP A 61 -0.685 16.932 27.742 1.00 24.14 O ATOM 0 H ASP A 61 -2.176 17.130 24.140 1.00 64.55 H new ATOM 0 HA ASP A 61 0.432 18.069 23.917 1.00 23.24 H new ATOM 0 HB2 ASP A 61 1.433 16.265 25.550 1.00 40.24 H new ATOM 0 HB3 ASP A 61 0.991 17.846 26.162 1.00 40.24 H new ATOM 920 N GLY A 62 1.134 15.720 22.983 1.00 64.24 N ATOM 921 CA GLY A 62 1.288 14.580 22.097 1.00 2.40 C ATOM 922 C GLY A 62 1.208 13.258 22.834 1.00 4.31 C ATOM 923 O GLY A 62 0.882 12.228 22.243 1.00 65.01 O ATOM 0 H GLY A 62 1.994 16.235 23.172 1.00 64.24 H new ATOM 0 HA2 GLY A 62 0.514 14.612 21.330 1.00 2.40 H new ATOM 0 HA3 GLY A 62 2.247 14.649 21.584 1.00 2.40 H new ATOM 927 N LEU A 63 1.508 13.285 24.128 1.00 12.30 N ATOM 928 CA LEU A 63 1.470 12.079 24.947 1.00 20.14 C ATOM 929 C LEU A 63 0.035 11.604 25.152 1.00 11.42 C ATOM 930 O LEU A 63 -0.228 10.404 25.224 1.00 13.52 O ATOM 931 CB LEU A 63 2.132 12.338 26.302 1.00 71.30 C ATOM 932 CG LEU A 63 3.657 12.453 26.293 1.00 74.11 C ATOM 933 CD1 LEU A 63 4.158 13.012 27.616 1.00 75.24 C ATOM 934 CD2 LEU A 63 4.292 11.100 26.009 1.00 60.33 C ATOM 0 H LEU A 63 1.780 14.129 24.632 1.00 12.30 H new ATOM 0 HA LEU A 63 2.020 11.297 24.424 1.00 20.14 H new ATOM 0 HB2 LEU A 63 1.721 13.259 26.715 1.00 71.30 H new ATOM 0 HB3 LEU A 63 1.852 11.532 26.980 1.00 71.30 H new ATOM 0 HG LEU A 63 3.946 13.141 25.499 1.00 74.11 H new ATOM 0 HD11 LEU A 63 5.245 13.087 27.591 1.00 75.24 H new ATOM 0 HD12 LEU A 63 3.730 14.001 27.778 1.00 75.24 H new ATOM 0 HD13 LEU A 63 3.858 12.349 28.428 1.00 75.24 H new ATOM 0 HD21 LEU A 63 5.377 11.201 26.006 1.00 60.33 H new ATOM 0 HD22 LEU A 63 3.995 10.390 26.781 1.00 60.33 H new ATOM 0 HD23 LEU A 63 3.959 10.739 25.036 1.00 60.33 H new ATOM 946 N ALA A 64 -0.890 12.555 25.243 1.00 23.31 N ATOM 947 CA ALA A 64 -2.299 12.234 25.435 1.00 24.10 C ATOM 948 C ALA A 64 -2.873 11.529 24.211 1.00 41.44 C ATOM 949 O ALA A 64 -3.726 10.649 24.331 1.00 14.43 O ATOM 950 CB ALA A 64 -3.091 13.497 25.740 1.00 63.23 C ATOM 0 H ALA A 64 -0.689 13.553 25.187 1.00 23.31 H new ATOM 0 HA ALA A 64 -2.379 11.555 26.284 1.00 24.10 H new ATOM 0 HB1 ALA A 64 -4.141 13.243 25.881 1.00 63.23 H new ATOM 0 HB2 ALA A 64 -2.704 13.958 26.649 1.00 63.23 H new ATOM 0 HB3 ALA A 64 -2.995 14.196 24.909 1.00 63.23 H new ATOM 956 N LEU A 65 -2.401 11.922 23.033 1.00 62.24 N ATOM 957 CA LEU A 65 -2.868 11.328 21.785 1.00 72.13 C ATOM 958 C LEU A 65 -2.074 10.070 21.449 1.00 23.12 C ATOM 959 O LEU A 65 -2.624 9.092 20.942 1.00 72.22 O ATOM 960 CB LEU A 65 -2.753 12.338 20.642 1.00 63.24 C ATOM 961 CG LEU A 65 -3.552 12.016 19.379 1.00 54.44 C ATOM 962 CD1 LEU A 65 -5.045 12.067 19.665 1.00 52.13 C ATOM 963 CD2 LEU A 65 -3.189 12.980 18.258 1.00 73.41 C ATOM 0 H LEU A 65 -1.695 12.649 22.916 1.00 62.24 H new ATOM 0 HA LEU A 65 -3.914 11.051 21.913 1.00 72.13 H new ATOM 0 HB2 LEU A 65 -3.073 13.312 21.011 1.00 63.24 H new ATOM 0 HB3 LEU A 65 -1.702 12.430 20.369 1.00 63.24 H new ATOM 0 HG LEU A 65 -3.298 11.005 19.059 1.00 54.44 H new ATOM 0 HD11 LEU A 65 -5.598 11.835 18.755 1.00 52.13 H new ATOM 0 HD12 LEU A 65 -5.293 11.337 20.436 1.00 52.13 H new ATOM 0 HD13 LEU A 65 -5.316 13.065 20.010 1.00 52.13 H new ATOM 0 HD21 LEU A 65 -3.767 12.736 17.367 1.00 73.41 H new ATOM 0 HD22 LEU A 65 -3.414 14.000 18.568 1.00 73.41 H new ATOM 0 HD23 LEU A 65 -2.125 12.895 18.035 1.00 73.41 H new ATOM 975 N LEU A 66 -0.777 10.101 21.738 1.00 73.24 N ATOM 976 CA LEU A 66 0.094 8.962 21.469 1.00 73.22 C ATOM 977 C LEU A 66 -0.187 7.820 22.441 1.00 52.23 C ATOM 978 O LEU A 66 0.041 6.652 22.126 1.00 31.00 O ATOM 979 CB LEU A 66 1.561 9.382 21.568 1.00 1.24 C ATOM 980 CG LEU A 66 2.592 8.264 21.406 1.00 11.53 C ATOM 981 CD1 LEU A 66 2.711 7.856 19.946 1.00 20.34 C ATOM 982 CD2 LEU A 66 3.944 8.702 21.951 1.00 15.45 C ATOM 0 H LEU A 66 -0.306 10.902 22.158 1.00 73.24 H new ATOM 0 HA LEU A 66 -0.109 8.612 20.457 1.00 73.22 H new ATOM 0 HB2 LEU A 66 1.753 10.139 20.808 1.00 1.24 H new ATOM 0 HB3 LEU A 66 1.718 9.856 22.537 1.00 1.24 H new ATOM 0 HG LEU A 66 2.255 7.399 21.978 1.00 11.53 H new ATOM 0 HD11 LEU A 66 3.449 7.060 19.850 1.00 20.34 H new ATOM 0 HD12 LEU A 66 1.745 7.501 19.588 1.00 20.34 H new ATOM 0 HD13 LEU A 66 3.025 8.715 19.353 1.00 20.34 H new ATOM 0 HD21 LEU A 66 4.665 7.894 21.827 1.00 15.45 H new ATOM 0 HD22 LEU A 66 4.288 9.582 21.407 1.00 15.45 H new ATOM 0 HD23 LEU A 66 3.848 8.944 23.009 1.00 15.45 H new ATOM 994 N LYS A 67 -0.686 8.166 23.623 1.00 63.31 N ATOM 995 CA LYS A 67 -1.002 7.171 24.641 1.00 61.22 C ATOM 996 C LYS A 67 -2.115 6.242 24.167 1.00 54.33 C ATOM 997 O LYS A 67 -2.281 5.140 24.689 1.00 5.42 O ATOM 998 CB LYS A 67 -1.417 7.858 25.944 1.00 43.24 C ATOM 999 CG LYS A 67 -0.270 8.054 26.920 1.00 43.22 C ATOM 1000 CD LYS A 67 -0.597 9.114 27.959 1.00 64.51 C ATOM 1001 CE LYS A 67 -0.919 8.490 29.308 1.00 0.03 C ATOM 1002 NZ LYS A 67 -2.379 8.251 29.474 1.00 34.11 N ATOM 0 H LYS A 67 -0.880 9.128 23.900 1.00 63.31 H new ATOM 0 HA LYS A 67 -0.107 6.575 24.821 1.00 61.22 H new ATOM 0 HB2 LYS A 67 -1.854 8.829 25.710 1.00 43.24 H new ATOM 0 HB3 LYS A 67 -2.195 7.266 26.425 1.00 43.24 H new ATOM 0 HG2 LYS A 67 -0.050 7.110 27.419 1.00 43.22 H new ATOM 0 HG3 LYS A 67 0.628 8.343 26.374 1.00 43.22 H new ATOM 0 HD2 LYS A 67 0.248 9.795 28.064 1.00 64.51 H new ATOM 0 HD3 LYS A 67 -1.445 9.708 27.620 1.00 64.51 H new ATOM 0 HE2 LYS A 67 -0.383 7.546 29.409 1.00 0.03 H new ATOM 0 HE3 LYS A 67 -0.565 9.144 30.105 1.00 0.03 H new ATOM 0 HZ1 LYS A 67 -2.557 7.825 30.406 1.00 34.11 H new ATOM 0 HZ2 LYS A 67 -2.889 9.155 29.403 1.00 34.11 H new ATOM 0 HZ3 LYS A 67 -2.712 7.606 28.729 1.00 34.11 H new ATOM 1016 N GLN A 68 -2.875 6.695 23.174 1.00 65.30 N ATOM 1017 CA GLN A 68 -3.971 5.903 22.630 1.00 74.01 C ATOM 1018 C GLN A 68 -3.461 4.901 21.600 1.00 62.21 C ATOM 1019 O GLN A 68 -3.718 3.701 21.706 1.00 14.41 O ATOM 1020 CB GLN A 68 -5.021 6.816 21.994 1.00 41.13 C ATOM 1021 CG GLN A 68 -6.187 7.137 22.915 1.00 43.20 C ATOM 1022 CD GLN A 68 -7.511 7.203 22.180 1.00 43.35 C ATOM 1023 OE1 GLN A 68 -8.518 6.667 22.642 1.00 72.13 O ATOM 1024 NE2 GLN A 68 -7.516 7.864 21.027 1.00 21.54 N ATOM 0 H GLN A 68 -2.751 7.605 22.731 1.00 65.30 H new ATOM 0 HA GLN A 68 -4.428 5.351 23.451 1.00 74.01 H new ATOM 0 HB2 GLN A 68 -4.543 7.747 21.688 1.00 41.13 H new ATOM 0 HB3 GLN A 68 -5.403 6.342 21.090 1.00 41.13 H new ATOM 0 HG2 GLN A 68 -6.247 6.379 23.696 1.00 43.20 H new ATOM 0 HG3 GLN A 68 -6.002 8.091 23.409 1.00 43.20 H new ATOM 0 HE21 GLN A 68 -6.658 8.293 20.681 1.00 21.54 H new ATOM 0 HE22 GLN A 68 -8.378 7.942 20.488 1.00 21.54 H new ATOM 1033 N ILE A 69 -2.737 5.400 20.604 1.00 4.41 N ATOM 1034 CA ILE A 69 -2.190 4.548 19.556 1.00 44.23 C ATOM 1035 C ILE A 69 -1.118 3.615 20.109 1.00 43.30 C ATOM 1036 O ILE A 69 -0.821 2.575 19.522 1.00 61.33 O ATOM 1037 CB ILE A 69 -1.587 5.382 18.410 1.00 43.12 C ATOM 1038 CG1 ILE A 69 -0.513 6.330 18.949 1.00 33.44 C ATOM 1039 CG2 ILE A 69 -2.678 6.163 17.692 1.00 24.40 C ATOM 1040 CD1 ILE A 69 0.046 7.268 17.903 1.00 55.10 C ATOM 0 H ILE A 69 -2.516 6.390 20.501 1.00 4.41 H new ATOM 0 HA ILE A 69 -3.018 3.956 19.167 1.00 44.23 H new ATOM 0 HB ILE A 69 -1.121 4.705 17.695 1.00 43.12 H new ATOM 0 HG12 ILE A 69 -0.935 6.918 19.764 1.00 33.44 H new ATOM 0 HG13 ILE A 69 0.302 5.741 19.370 1.00 33.44 H new ATOM 0 HG21 ILE A 69 -2.236 6.747 16.885 1.00 24.40 H new ATOM 0 HG22 ILE A 69 -3.410 5.469 17.279 1.00 24.40 H new ATOM 0 HG23 ILE A 69 -3.170 6.833 18.397 1.00 24.40 H new ATOM 0 HD11 ILE A 69 0.801 7.910 18.356 1.00 55.10 H new ATOM 0 HD12 ILE A 69 0.498 6.688 17.098 1.00 55.10 H new ATOM 0 HD13 ILE A 69 -0.758 7.883 17.499 1.00 55.10 H new ATOM 1052 N LYS A 70 -0.540 3.994 21.244 1.00 35.23 N ATOM 1053 CA LYS A 70 0.497 3.191 21.881 1.00 72.43 C ATOM 1054 C LYS A 70 -0.118 2.108 22.763 1.00 45.42 C ATOM 1055 O LYS A 70 0.400 0.995 22.845 1.00 4.13 O ATOM 1056 CB LYS A 70 1.420 4.081 22.716 1.00 53.13 C ATOM 1057 CG LYS A 70 2.461 4.819 21.893 1.00 64.35 C ATOM 1058 CD LYS A 70 3.527 3.873 21.364 1.00 74.31 C ATOM 1059 CE LYS A 70 4.778 3.904 22.228 1.00 71.41 C ATOM 1060 NZ LYS A 70 4.727 2.887 23.315 1.00 54.01 N ATOM 0 H LYS A 70 -0.773 4.853 21.742 1.00 35.23 H new ATOM 0 HA LYS A 70 1.080 2.708 21.097 1.00 72.43 H new ATOM 0 HB2 LYS A 70 0.816 4.808 23.259 1.00 53.13 H new ATOM 0 HB3 LYS A 70 1.926 3.467 23.461 1.00 53.13 H new ATOM 0 HG2 LYS A 70 1.975 5.324 21.058 1.00 64.35 H new ATOM 0 HG3 LYS A 70 2.929 5.591 22.504 1.00 64.35 H new ATOM 0 HD2 LYS A 70 3.131 2.858 21.332 1.00 74.31 H new ATOM 0 HD3 LYS A 70 3.783 4.148 20.341 1.00 74.31 H new ATOM 0 HE2 LYS A 70 5.654 3.726 21.605 1.00 71.41 H new ATOM 0 HE3 LYS A 70 4.894 4.896 22.664 1.00 71.41 H new ATOM 0 HZ1 LYS A 70 4.466 3.348 24.210 1.00 54.01 H new ATOM 0 HZ2 LYS A 70 4.019 2.162 23.079 1.00 54.01 H new ATOM 0 HZ3 LYS A 70 5.660 2.440 23.416 1.00 54.01 H new ATOM 1074 N GLN A 71 -1.224 2.443 23.418 1.00 12.22 N ATOM 1075 CA GLN A 71 -1.909 1.499 24.293 1.00 24.52 C ATOM 1076 C GLN A 71 -2.942 0.688 23.517 1.00 4.13 C ATOM 1077 O GLN A 71 -2.910 -0.543 23.522 1.00 41.45 O ATOM 1078 CB GLN A 71 -2.586 2.239 25.448 1.00 70.14 C ATOM 1079 CG GLN A 71 -1.606 2.863 26.428 1.00 14.41 C ATOM 1080 CD GLN A 71 -0.804 1.828 27.191 1.00 63.35 C ATOM 1081 OE1 GLN A 71 -1.300 1.213 28.135 1.00 3.11 O ATOM 1082 NE2 GLN A 71 0.444 1.629 26.783 1.00 25.54 N ATOM 0 H GLN A 71 -1.665 3.361 23.360 1.00 12.22 H new ATOM 0 HA GLN A 71 -1.165 0.813 24.698 1.00 24.52 H new ATOM 0 HB2 GLN A 71 -3.228 3.021 25.041 1.00 70.14 H new ATOM 0 HB3 GLN A 71 -3.231 1.544 25.985 1.00 70.14 H new ATOM 0 HG2 GLN A 71 -0.924 3.518 25.886 1.00 14.41 H new ATOM 0 HG3 GLN A 71 -2.153 3.487 27.135 1.00 14.41 H new ATOM 0 HE21 GLN A 71 0.814 2.161 25.996 1.00 25.54 H new ATOM 0 HE22 GLN A 71 1.032 0.944 27.257 1.00 25.54 H new ATOM 1091 N ARG A 72 -3.857 1.386 22.853 1.00 44.31 N ATOM 1092 CA ARG A 72 -4.900 0.731 22.074 1.00 54.23 C ATOM 1093 C ARG A 72 -4.299 -0.278 21.100 1.00 73.02 C ATOM 1094 O ARG A 72 -4.683 -1.448 21.086 1.00 21.25 O ATOM 1095 CB ARG A 72 -5.721 1.769 21.307 1.00 55.42 C ATOM 1096 CG ARG A 72 -7.143 1.321 21.007 1.00 45.33 C ATOM 1097 CD ARG A 72 -7.969 2.451 20.413 1.00 71.15 C ATOM 1098 NE ARG A 72 -9.239 1.974 19.872 1.00 73.00 N ATOM 1099 CZ ARG A 72 -10.296 1.686 20.624 1.00 61.34 C ATOM 1100 NH1 ARG A 72 -10.235 1.826 21.941 1.00 61.34 N ATOM 1101 NH2 ARG A 72 -11.417 1.257 20.058 1.00 61.22 N ATOM 0 H ARG A 72 -3.897 2.405 22.839 1.00 44.31 H new ATOM 0 HA ARG A 72 -5.554 0.198 22.765 1.00 54.23 H new ATOM 0 HB2 ARG A 72 -5.754 2.693 21.885 1.00 55.42 H new ATOM 0 HB3 ARG A 72 -5.216 1.998 20.369 1.00 55.42 H new ATOM 0 HG2 ARG A 72 -7.122 0.480 20.313 1.00 45.33 H new ATOM 0 HG3 ARG A 72 -7.615 0.966 21.923 1.00 45.33 H new ATOM 0 HD2 ARG A 72 -8.161 3.202 21.180 1.00 71.15 H new ATOM 0 HD3 ARG A 72 -7.399 2.940 19.623 1.00 71.15 H new ATOM 0 HE ARG A 72 -9.319 1.856 18.862 1.00 73.00 H new ATOM 0 HH11 ARG A 72 -9.375 2.156 22.380 1.00 61.34 H new ATOM 0 HH12 ARG A 72 -11.048 1.604 22.516 1.00 61.34 H new ATOM 0 HH21 ARG A 72 -11.468 1.148 19.045 1.00 61.22 H new ATOM 0 HH22 ARG A 72 -12.228 1.036 20.636 1.00 61.22 H new ATOM 1115 N HIS A 73 -3.355 0.183 20.285 1.00 13.13 N ATOM 1116 CA HIS A 73 -2.701 -0.679 19.308 1.00 60.32 C ATOM 1117 C HIS A 73 -1.391 -0.061 18.829 1.00 70.14 C ATOM 1118 O HIS A 73 -1.331 0.598 17.790 1.00 3.14 O ATOM 1119 CB HIS A 73 -3.626 -0.929 18.117 1.00 73.25 C ATOM 1120 CG HIS A 73 -4.621 0.168 17.890 1.00 22.42 C ATOM 1121 ND1 HIS A 73 -5.973 0.016 18.117 1.00 45.41 N ATOM 1122 CD2 HIS A 73 -4.453 1.439 17.456 1.00 34.24 C ATOM 1123 CE1 HIS A 73 -6.594 1.147 17.831 1.00 62.54 C ATOM 1124 NE2 HIS A 73 -5.694 2.026 17.428 1.00 54.01 N ATOM 0 H HIS A 73 -3.026 1.149 20.282 1.00 13.13 H new ATOM 0 HA HIS A 73 -2.478 -1.630 19.791 1.00 60.32 H new ATOM 0 HB2 HIS A 73 -3.022 -1.052 17.218 1.00 73.25 H new ATOM 0 HB3 HIS A 73 -4.160 -1.866 18.273 1.00 73.25 H new ATOM 0 HD1 HIS A 73 -6.423 -0.836 18.453 1.00 45.41 H new ATOM 0 HD2 HIS A 73 -3.518 1.905 17.183 1.00 34.24 H new ATOM 0 HE1 HIS A 73 -7.656 1.323 17.913 1.00 62.54 H new ATOM 1132 N PRO A 74 -0.316 -0.277 19.602 1.00 55.22 N ATOM 1133 CA PRO A 74 1.012 0.251 19.276 1.00 12.02 C ATOM 1134 C PRO A 74 1.627 -0.435 18.061 1.00 35.22 C ATOM 1135 O PRO A 74 2.732 -0.097 17.639 1.00 53.12 O ATOM 1136 CB PRO A 74 1.832 -0.052 20.533 1.00 14.30 C ATOM 1137 CG PRO A 74 1.148 -1.217 21.160 1.00 74.32 C ATOM 1138 CD PRO A 74 -0.315 -1.053 20.853 1.00 33.11 C ATOM 0 HA PRO A 74 0.977 1.309 19.017 1.00 12.02 H new ATOM 0 HB2 PRO A 74 2.867 -0.288 20.283 1.00 14.30 H new ATOM 0 HB3 PRO A 74 1.854 0.804 21.207 1.00 14.30 H new ATOM 0 HG2 PRO A 74 1.528 -2.156 20.757 1.00 74.32 H new ATOM 0 HG3 PRO A 74 1.321 -1.238 22.236 1.00 74.32 H new ATOM 0 HD2 PRO A 74 -0.810 -2.016 20.729 1.00 33.11 H new ATOM 0 HD3 PRO A 74 -0.837 -0.527 21.653 1.00 33.11 H new ATOM 1146 N MET A 75 0.903 -1.400 17.503 1.00 31.44 N ATOM 1147 CA MET A 75 1.378 -2.133 16.335 1.00 14.12 C ATOM 1148 C MET A 75 1.494 -1.211 15.126 1.00 53.24 C ATOM 1149 O MET A 75 2.122 -1.559 14.125 1.00 51.12 O ATOM 1150 CB MET A 75 0.434 -3.294 16.017 1.00 62.41 C ATOM 1151 CG MET A 75 1.156 -4.577 15.636 1.00 1.22 C ATOM 1152 SD MET A 75 1.354 -4.759 13.853 1.00 22.33 S ATOM 1153 CE MET A 75 3.025 -5.398 13.762 1.00 71.31 C ATOM 0 H MET A 75 -0.014 -1.692 17.841 1.00 31.44 H new ATOM 0 HA MET A 75 2.367 -2.530 16.563 1.00 14.12 H new ATOM 0 HB2 MET A 75 -0.198 -3.486 16.884 1.00 62.41 H new ATOM 0 HB3 MET A 75 -0.226 -3.002 15.200 1.00 62.41 H new ATOM 0 HG2 MET A 75 2.137 -4.592 16.110 1.00 1.22 H new ATOM 0 HG3 MET A 75 0.601 -5.431 16.025 1.00 1.22 H new ATOM 0 HE1 MET A 75 3.295 -5.563 12.719 1.00 71.31 H new ATOM 0 HE2 MET A 75 3.714 -4.680 14.206 1.00 71.31 H new ATOM 0 HE3 MET A 75 3.084 -6.341 14.306 1.00 71.31 H new ATOM 1163 N LEU A 76 0.885 -0.034 15.224 1.00 73.33 N ATOM 1164 CA LEU A 76 0.920 0.938 14.137 1.00 53.31 C ATOM 1165 C LEU A 76 2.097 1.895 14.300 1.00 71.53 C ATOM 1166 O LEU A 76 2.437 2.317 15.405 1.00 53.41 O ATOM 1167 CB LEU A 76 -0.390 1.727 14.090 1.00 51.12 C ATOM 1168 CG LEU A 76 -0.461 2.965 14.985 1.00 63.03 C ATOM 1169 CD1 LEU A 76 -0.143 4.220 14.186 1.00 32.33 C ATOM 1170 CD2 LEU A 76 -1.833 3.076 15.634 1.00 44.44 C ATOM 0 H LEU A 76 0.361 0.270 16.045 1.00 73.33 H new ATOM 0 HA LEU A 76 1.044 0.395 13.200 1.00 53.31 H new ATOM 0 HB2 LEU A 76 -0.567 2.037 13.060 1.00 51.12 H new ATOM 0 HB3 LEU A 76 -1.204 1.057 14.366 1.00 51.12 H new ATOM 0 HG LEU A 76 0.284 2.863 15.774 1.00 63.03 H new ATOM 0 HD11 LEU A 76 -0.198 5.091 14.839 1.00 32.33 H new ATOM 0 HD12 LEU A 76 0.861 4.142 13.770 1.00 32.33 H new ATOM 0 HD13 LEU A 76 -0.864 4.328 13.376 1.00 32.33 H new ATOM 0 HD21 LEU A 76 -1.865 3.963 16.267 1.00 44.44 H new ATOM 0 HD22 LEU A 76 -2.596 3.155 14.860 1.00 44.44 H new ATOM 0 HD23 LEU A 76 -2.021 2.190 16.240 1.00 44.44 H new ATOM 1182 N PRO A 77 2.734 2.246 13.173 1.00 41.20 N ATOM 1183 CA PRO A 77 3.881 3.159 13.164 1.00 22.32 C ATOM 1184 C PRO A 77 3.485 4.592 13.503 1.00 32.44 C ATOM 1185 O PRO A 77 2.405 5.052 13.132 1.00 42.20 O ATOM 1186 CB PRO A 77 4.392 3.072 11.724 1.00 44.01 C ATOM 1187 CG PRO A 77 3.203 2.666 10.924 1.00 63.13 C ATOM 1188 CD PRO A 77 2.383 1.780 11.821 1.00 43.42 C ATOM 0 HA PRO A 77 4.625 2.886 13.912 1.00 22.32 H new ATOM 0 HB2 PRO A 77 4.788 4.030 11.386 1.00 44.01 H new ATOM 0 HB3 PRO A 77 5.198 2.344 11.633 1.00 44.01 H new ATOM 0 HG2 PRO A 77 2.630 3.537 10.607 1.00 63.13 H new ATOM 0 HG3 PRO A 77 3.503 2.136 10.020 1.00 63.13 H new ATOM 0 HD2 PRO A 77 1.316 1.885 11.624 1.00 43.42 H new ATOM 0 HD3 PRO A 77 2.630 0.728 11.682 1.00 43.42 H new ATOM 1196 N VAL A 78 4.365 5.293 14.211 1.00 61.42 N ATOM 1197 CA VAL A 78 4.107 6.674 14.599 1.00 45.32 C ATOM 1198 C VAL A 78 5.365 7.526 14.468 1.00 63.43 C ATOM 1199 O VAL A 78 6.479 7.040 14.669 1.00 41.25 O ATOM 1200 CB VAL A 78 3.589 6.763 16.046 1.00 0.44 C ATOM 1201 CG1 VAL A 78 3.254 8.203 16.406 1.00 73.20 C ATOM 1202 CG2 VAL A 78 2.378 5.862 16.235 1.00 40.24 C ATOM 0 H VAL A 78 5.263 4.927 14.527 1.00 61.42 H new ATOM 0 HA VAL A 78 3.342 7.055 13.923 1.00 45.32 H new ATOM 0 HB VAL A 78 4.377 6.420 16.717 1.00 0.44 H new ATOM 0 HG11 VAL A 78 2.889 8.246 17.432 1.00 73.20 H new ATOM 0 HG12 VAL A 78 4.148 8.819 16.312 1.00 73.20 H new ATOM 0 HG13 VAL A 78 2.484 8.577 15.731 1.00 73.20 H new ATOM 0 HG21 VAL A 78 2.025 5.938 17.264 1.00 40.24 H new ATOM 0 HG22 VAL A 78 1.584 6.172 15.555 1.00 40.24 H new ATOM 0 HG23 VAL A 78 2.656 4.830 16.022 1.00 40.24 H new ATOM 1212 N ILE A 79 5.180 8.797 14.130 1.00 12.33 N ATOM 1213 CA ILE A 79 6.300 9.717 13.974 1.00 31.21 C ATOM 1214 C ILE A 79 6.106 10.969 14.823 1.00 70.30 C ATOM 1215 O ILE A 79 5.014 11.535 14.871 1.00 54.22 O ATOM 1216 CB ILE A 79 6.487 10.132 12.503 1.00 73.23 C ATOM 1217 CG1 ILE A 79 6.484 8.898 11.598 1.00 60.01 C ATOM 1218 CG2 ILE A 79 7.779 10.917 12.334 1.00 61.53 C ATOM 1219 CD1 ILE A 79 6.578 9.229 10.125 1.00 61.22 C ATOM 0 H ILE A 79 4.265 9.214 13.959 1.00 12.33 H new ATOM 0 HA ILE A 79 7.192 9.188 14.310 1.00 31.21 H new ATOM 0 HB ILE A 79 5.655 10.774 12.213 1.00 73.23 H new ATOM 0 HG12 ILE A 79 7.320 8.255 11.872 1.00 60.01 H new ATOM 0 HG13 ILE A 79 5.572 8.329 11.777 1.00 60.01 H new ATOM 0 HG21 ILE A 79 7.897 11.203 11.289 1.00 61.53 H new ATOM 0 HG22 ILE A 79 7.744 11.813 12.954 1.00 61.53 H new ATOM 0 HG23 ILE A 79 8.623 10.298 12.638 1.00 61.53 H new ATOM 0 HD11 ILE A 79 6.571 8.307 9.544 1.00 61.22 H new ATOM 0 HD12 ILE A 79 5.728 9.847 9.836 1.00 61.22 H new ATOM 0 HD13 ILE A 79 7.503 9.772 9.932 1.00 61.22 H new ATOM 1231 N ILE A 80 7.173 11.396 15.490 1.00 71.13 N ATOM 1232 CA ILE A 80 7.121 12.583 16.334 1.00 34.33 C ATOM 1233 C ILE A 80 7.393 13.846 15.525 1.00 63.11 C ATOM 1234 O ILE A 80 8.357 13.911 14.763 1.00 62.34 O ATOM 1235 CB ILE A 80 8.136 12.497 17.489 1.00 42.10 C ATOM 1236 CG1 ILE A 80 8.044 11.135 18.179 1.00 75.52 C ATOM 1237 CG2 ILE A 80 7.898 13.620 18.488 1.00 64.22 C ATOM 1238 CD1 ILE A 80 6.673 10.835 18.744 1.00 13.51 C ATOM 0 H ILE A 80 8.084 10.938 15.462 1.00 71.13 H new ATOM 0 HA ILE A 80 6.114 12.631 16.749 1.00 34.33 H new ATOM 0 HB ILE A 80 9.140 12.608 17.079 1.00 42.10 H new ATOM 0 HG12 ILE A 80 8.312 10.356 17.465 1.00 75.52 H new ATOM 0 HG13 ILE A 80 8.777 11.095 18.985 1.00 75.52 H new ATOM 0 HG21 ILE A 80 8.623 13.546 19.298 1.00 64.22 H new ATOM 0 HG22 ILE A 80 8.010 14.582 17.988 1.00 64.22 H new ATOM 0 HG23 ILE A 80 6.890 13.538 18.894 1.00 64.22 H new ATOM 0 HD11 ILE A 80 6.682 9.854 19.218 1.00 13.51 H new ATOM 0 HD12 ILE A 80 6.410 11.592 19.482 1.00 13.51 H new ATOM 0 HD13 ILE A 80 5.938 10.842 17.939 1.00 13.51 H new ATOM 1250 N MET A 81 6.538 14.849 15.698 1.00 65.34 N ATOM 1251 CA MET A 81 6.689 16.112 14.985 1.00 2.20 C ATOM 1252 C MET A 81 6.381 17.293 15.900 1.00 31.35 C ATOM 1253 O MET A 81 5.296 17.378 16.477 1.00 1.32 O ATOM 1254 CB MET A 81 5.770 16.146 13.763 1.00 72.13 C ATOM 1255 CG MET A 81 5.603 17.534 13.166 1.00 64.25 C ATOM 1256 SD MET A 81 4.908 17.495 11.502 1.00 5.42 S ATOM 1257 CE MET A 81 3.174 17.236 11.866 1.00 60.53 C ATOM 0 H MET A 81 5.734 14.812 16.325 1.00 65.34 H new ATOM 0 HA MET A 81 7.724 16.192 14.654 1.00 2.20 H new ATOM 0 HB2 MET A 81 6.169 15.477 13.000 1.00 72.13 H new ATOM 0 HB3 MET A 81 4.790 15.760 14.045 1.00 72.13 H new ATOM 0 HG2 MET A 81 4.956 18.128 13.812 1.00 64.25 H new ATOM 0 HG3 MET A 81 6.572 18.033 13.139 1.00 64.25 H new ATOM 0 HE1 MET A 81 2.727 16.620 11.086 1.00 60.53 H new ATOM 0 HE2 MET A 81 3.075 16.733 12.828 1.00 60.53 H new ATOM 0 HE3 MET A 81 2.663 18.198 11.906 1.00 60.53 H new ATOM 1267 N THR A 82 7.342 18.202 16.030 1.00 10.23 N ATOM 1268 CA THR A 82 7.174 19.377 16.877 1.00 75.34 C ATOM 1269 C THR A 82 8.380 20.303 16.778 1.00 40.21 C ATOM 1270 O THR A 82 9.263 20.102 15.944 1.00 34.54 O ATOM 1271 CB THR A 82 6.963 18.982 18.351 1.00 63.45 C ATOM 1272 OG1 THR A 82 6.473 20.103 19.093 1.00 13.22 O ATOM 1273 CG2 THR A 82 8.262 18.487 18.969 1.00 61.54 C ATOM 0 H THR A 82 8.245 18.147 15.559 1.00 10.23 H new ATOM 0 HA THR A 82 6.288 19.900 16.519 1.00 75.34 H new ATOM 0 HB THR A 82 6.231 18.175 18.387 1.00 63.45 H new ATOM 0 HG1 THR A 82 6.903 20.125 19.974 1.00 13.22 H new ATOM 0 HG21 THR A 82 8.089 18.214 20.010 1.00 61.54 H new ATOM 0 HG22 THR A 82 8.617 17.615 18.419 1.00 61.54 H new ATOM 0 HG23 THR A 82 9.012 19.277 18.921 1.00 61.54 H new ATOM 1281 N ALA A 83 8.412 21.319 17.634 1.00 31.13 N ATOM 1282 CA ALA A 83 9.512 22.275 17.645 1.00 61.12 C ATOM 1283 C ALA A 83 10.423 22.050 18.847 1.00 10.40 C ATOM 1284 O ALA A 83 10.314 21.039 19.541 1.00 61.11 O ATOM 1285 CB ALA A 83 8.974 23.698 17.646 1.00 5.31 C ATOM 0 H ALA A 83 7.688 21.501 18.329 1.00 31.13 H new ATOM 0 HA ALA A 83 10.103 22.123 16.742 1.00 61.12 H new ATOM 0 HB1 ALA A 83 9.806 24.402 17.654 1.00 5.31 H new ATOM 0 HB2 ALA A 83 8.371 23.860 16.752 1.00 5.31 H new ATOM 0 HB3 ALA A 83 8.359 23.854 18.532 1.00 5.31 H new ATOM 1291 N HIS A 84 11.322 23.000 19.088 1.00 30.50 N ATOM 1292 CA HIS A 84 12.252 22.905 20.207 1.00 25.33 C ATOM 1293 C HIS A 84 11.511 22.600 21.506 1.00 64.44 C ATOM 1294 O HIS A 84 12.054 21.959 22.406 1.00 43.41 O ATOM 1295 CB HIS A 84 13.044 24.205 20.352 1.00 72.04 C ATOM 1296 CG HIS A 84 12.191 25.392 20.677 1.00 11.25 C ATOM 1297 ND1 HIS A 84 12.411 26.198 21.774 1.00 13.53 N ATOM 1298 CD2 HIS A 84 11.113 25.909 20.042 1.00 2.23 C ATOM 1299 CE1 HIS A 84 11.504 27.159 21.801 1.00 61.03 C ATOM 1300 NE2 HIS A 84 10.705 27.006 20.760 1.00 11.32 N ATOM 0 H HIS A 84 11.426 23.843 18.524 1.00 30.50 H new ATOM 0 HA HIS A 84 12.944 22.088 20.003 1.00 25.33 H new ATOM 0 HB2 HIS A 84 13.792 24.080 21.135 1.00 72.04 H new ATOM 0 HB3 HIS A 84 13.583 24.398 19.424 1.00 72.04 H new ATOM 0 HD2 HIS A 84 10.659 25.529 19.139 1.00 2.23 H new ATOM 0 HE1 HIS A 84 11.429 27.937 22.547 1.00 61.03 H new ATOM 0 HE2 HIS A 84 9.913 27.606 20.527 1.00 11.32 H new ATOM 1308 N SER A 85 10.269 23.063 21.595 1.00 73.11 N ATOM 1309 CA SER A 85 9.455 22.844 22.785 1.00 71.51 C ATOM 1310 C SER A 85 9.068 21.373 22.915 1.00 3.41 C ATOM 1311 O SER A 85 8.614 20.752 21.954 1.00 1.11 O ATOM 1312 CB SER A 85 8.196 23.711 22.734 1.00 12.15 C ATOM 1313 OG SER A 85 8.473 25.037 23.152 1.00 32.43 O ATOM 0 H SER A 85 9.804 23.592 20.857 1.00 73.11 H new ATOM 0 HA SER A 85 10.046 23.125 23.656 1.00 71.51 H new ATOM 0 HB2 SER A 85 7.799 23.722 21.719 1.00 12.15 H new ATOM 0 HB3 SER A 85 7.426 23.278 23.373 1.00 12.15 H new ATOM 0 HG SER A 85 7.653 25.572 23.109 1.00 32.43 H new ATOM 1319 N ASP A 86 9.252 20.824 24.110 1.00 30.34 N ATOM 1320 CA ASP A 86 8.922 19.427 24.369 1.00 70.15 C ATOM 1321 C ASP A 86 9.786 18.499 23.521 1.00 61.35 C ATOM 1322 O ASP A 86 9.472 17.319 23.355 1.00 11.23 O ATOM 1323 CB ASP A 86 7.442 19.169 24.082 1.00 12.03 C ATOM 1324 CG ASP A 86 6.537 20.185 24.752 1.00 61.40 C ATOM 1325 OD1 ASP A 86 6.387 21.297 24.204 1.00 34.44 O ATOM 1326 OD2 ASP A 86 5.980 19.868 25.824 1.00 23.32 O ATOM 0 H ASP A 86 9.628 21.325 24.915 1.00 30.34 H new ATOM 0 HA ASP A 86 9.122 19.221 25.421 1.00 70.15 H new ATOM 0 HB2 ASP A 86 7.274 19.192 23.005 1.00 12.03 H new ATOM 0 HB3 ASP A 86 7.177 18.169 24.425 1.00 12.03 H new ATOM 1331 N LEU A 87 10.875 19.039 22.984 1.00 31.42 N ATOM 1332 CA LEU A 87 11.785 18.259 22.152 1.00 53.33 C ATOM 1333 C LEU A 87 12.369 17.087 22.933 1.00 31.04 C ATOM 1334 O LEU A 87 12.850 16.116 22.349 1.00 45.53 O ATOM 1335 CB LEU A 87 12.913 19.148 21.624 1.00 35.13 C ATOM 1336 CG LEU A 87 14.134 18.420 21.061 1.00 34.45 C ATOM 1337 CD1 LEU A 87 13.742 17.568 19.864 1.00 41.12 C ATOM 1338 CD2 LEU A 87 15.219 19.415 20.678 1.00 13.34 C ATOM 0 H LEU A 87 11.149 20.013 23.110 1.00 31.42 H new ATOM 0 HA LEU A 87 11.218 17.863 21.310 1.00 53.33 H new ATOM 0 HB2 LEU A 87 12.507 19.791 20.843 1.00 35.13 H new ATOM 0 HB3 LEU A 87 13.244 19.799 22.433 1.00 35.13 H new ATOM 0 HG LEU A 87 14.530 17.762 21.835 1.00 34.45 H new ATOM 0 HD11 LEU A 87 14.624 17.057 19.477 1.00 41.12 H new ATOM 0 HD12 LEU A 87 13.000 16.830 20.170 1.00 41.12 H new ATOM 0 HD13 LEU A 87 13.321 18.205 19.086 1.00 41.12 H new ATOM 0 HD21 LEU A 87 16.080 18.879 20.279 1.00 13.34 H new ATOM 0 HD22 LEU A 87 14.835 20.099 19.921 1.00 13.34 H new ATOM 0 HD23 LEU A 87 15.520 19.982 21.559 1.00 13.34 H new ATOM 1350 N ASP A 88 12.321 17.183 24.257 1.00 10.15 N ATOM 1351 CA ASP A 88 12.842 16.129 25.120 1.00 44.10 C ATOM 1352 C ASP A 88 12.219 14.782 24.769 1.00 30.22 C ATOM 1353 O ASP A 88 12.869 13.741 24.869 1.00 14.41 O ATOM 1354 CB ASP A 88 12.574 16.463 26.588 1.00 32.33 C ATOM 1355 CG ASP A 88 12.893 15.305 27.513 1.00 64.41 C ATOM 1356 OD1 ASP A 88 14.088 14.967 27.650 1.00 20.32 O ATOM 1357 OD2 ASP A 88 11.949 14.737 28.100 1.00 21.40 O ATOM 0 H ASP A 88 11.927 17.980 24.756 1.00 10.15 H new ATOM 0 HA ASP A 88 13.918 16.063 24.962 1.00 44.10 H new ATOM 0 HB2 ASP A 88 13.171 17.329 26.875 1.00 32.33 H new ATOM 0 HB3 ASP A 88 11.527 16.743 26.709 1.00 32.33 H new ATOM 1362 N ALA A 89 10.955 14.809 24.359 1.00 1.12 N ATOM 1363 CA ALA A 89 10.244 13.590 23.993 1.00 43.51 C ATOM 1364 C ALA A 89 10.919 12.894 22.816 1.00 22.23 C ATOM 1365 O ALA A 89 10.762 11.689 22.623 1.00 30.31 O ATOM 1366 CB ALA A 89 8.793 13.905 23.661 1.00 43.44 C ATOM 0 H ALA A 89 10.402 15.662 24.272 1.00 1.12 H new ATOM 0 HA ALA A 89 10.271 12.912 24.846 1.00 43.51 H new ATOM 0 HB1 ALA A 89 8.274 12.986 23.389 1.00 43.44 H new ATOM 0 HB2 ALA A 89 8.310 14.351 24.530 1.00 43.44 H new ATOM 0 HB3 ALA A 89 8.754 14.604 22.825 1.00 43.44 H new ATOM 1372 N ALA A 90 11.670 13.660 22.032 1.00 4.34 N ATOM 1373 CA ALA A 90 12.370 13.116 20.875 1.00 21.14 C ATOM 1374 C ALA A 90 13.258 11.942 21.273 1.00 4.14 C ATOM 1375 O ALA A 90 13.494 11.032 20.479 1.00 63.30 O ATOM 1376 CB ALA A 90 13.196 14.200 20.200 1.00 5.41 C ATOM 0 H ALA A 90 11.809 14.660 22.177 1.00 4.34 H new ATOM 0 HA ALA A 90 11.624 12.751 20.169 1.00 21.14 H new ATOM 0 HB1 ALA A 90 13.713 13.779 19.338 1.00 5.41 H new ATOM 0 HB2 ALA A 90 12.540 15.006 19.872 1.00 5.41 H new ATOM 0 HB3 ALA A 90 13.928 14.592 20.906 1.00 5.41 H new ATOM 1382 N VAL A 91 13.749 11.970 22.508 1.00 25.54 N ATOM 1383 CA VAL A 91 14.612 10.907 23.012 1.00 51.20 C ATOM 1384 C VAL A 91 13.792 9.711 23.482 1.00 25.41 C ATOM 1385 O VAL A 91 13.977 8.592 23.002 1.00 13.14 O ATOM 1386 CB VAL A 91 15.491 11.402 24.176 1.00 42.34 C ATOM 1387 CG1 VAL A 91 16.529 10.354 24.544 1.00 25.42 C ATOM 1388 CG2 VAL A 91 16.158 12.721 23.815 1.00 2.10 C ATOM 0 H VAL A 91 13.564 12.717 23.178 1.00 25.54 H new ATOM 0 HA VAL A 91 15.254 10.602 22.186 1.00 51.20 H new ATOM 0 HB VAL A 91 14.854 11.568 25.045 1.00 42.34 H new ATOM 0 HG11 VAL A 91 17.141 10.721 25.368 1.00 25.42 H new ATOM 0 HG12 VAL A 91 16.027 9.435 24.846 1.00 25.42 H new ATOM 0 HG13 VAL A 91 17.165 10.153 23.682 1.00 25.42 H new ATOM 0 HG21 VAL A 91 16.775 13.057 24.648 1.00 2.10 H new ATOM 0 HG22 VAL A 91 16.783 12.583 22.933 1.00 2.10 H new ATOM 0 HG23 VAL A 91 15.394 13.470 23.605 1.00 2.10 H new ATOM 1398 N SER A 92 12.886 9.954 24.424 1.00 43.15 N ATOM 1399 CA SER A 92 12.040 8.896 24.962 1.00 72.44 C ATOM 1400 C SER A 92 11.344 8.133 23.839 1.00 71.35 C ATOM 1401 O SER A 92 11.204 6.911 23.897 1.00 44.44 O ATOM 1402 CB SER A 92 10.998 9.482 25.917 1.00 44.35 C ATOM 1403 OG SER A 92 9.972 8.544 26.190 1.00 10.44 O ATOM 0 H SER A 92 12.719 10.875 24.830 1.00 43.15 H new ATOM 0 HA SER A 92 12.676 8.201 25.511 1.00 72.44 H new ATOM 0 HB2 SER A 92 11.480 9.780 26.848 1.00 44.35 H new ATOM 0 HB3 SER A 92 10.565 10.382 25.480 1.00 44.35 H new ATOM 0 HG SER A 92 9.320 8.942 26.804 1.00 10.44 H new ATOM 1409 N ALA A 93 10.909 8.863 22.817 1.00 70.12 N ATOM 1410 CA ALA A 93 10.229 8.256 21.679 1.00 44.21 C ATOM 1411 C ALA A 93 11.043 7.101 21.106 1.00 41.14 C ATOM 1412 O ALA A 93 10.527 5.999 20.916 1.00 40.42 O ATOM 1413 CB ALA A 93 9.963 9.301 20.605 1.00 31.32 C ATOM 0 H ALA A 93 11.015 9.875 22.754 1.00 70.12 H new ATOM 0 HA ALA A 93 9.276 7.857 22.026 1.00 44.21 H new ATOM 0 HB1 ALA A 93 9.455 8.834 19.761 1.00 31.32 H new ATOM 0 HB2 ALA A 93 9.335 10.092 21.015 1.00 31.32 H new ATOM 0 HB3 ALA A 93 10.909 9.726 20.269 1.00 31.32 H new ATOM 1419 N TYR A 94 12.317 7.360 20.831 1.00 73.11 N ATOM 1420 CA TYR A 94 13.201 6.342 20.276 1.00 40.11 C ATOM 1421 C TYR A 94 13.221 5.098 21.158 1.00 22.25 C ATOM 1422 O TYR A 94 13.226 3.972 20.662 1.00 70.04 O ATOM 1423 CB TYR A 94 14.619 6.896 20.124 1.00 54.21 C ATOM 1424 CG TYR A 94 14.751 7.927 19.026 1.00 64.14 C ATOM 1425 CD1 TYR A 94 14.183 7.716 17.776 1.00 51.34 C ATOM 1426 CD2 TYR A 94 15.445 9.112 19.239 1.00 53.13 C ATOM 1427 CE1 TYR A 94 14.302 8.655 16.769 1.00 5.02 C ATOM 1428 CE2 TYR A 94 15.568 10.057 18.239 1.00 41.24 C ATOM 1429 CZ TYR A 94 14.996 9.824 17.006 1.00 73.24 C ATOM 1430 OH TYR A 94 15.116 10.762 16.006 1.00 11.01 O ATOM 0 H TYR A 94 12.760 8.266 20.983 1.00 73.11 H new ATOM 0 HA TYR A 94 12.820 6.063 19.294 1.00 40.11 H new ATOM 0 HB2 TYR A 94 14.929 7.342 21.069 1.00 54.21 H new ATOM 0 HB3 TYR A 94 15.303 6.072 19.921 1.00 54.21 H new ATOM 0 HD1 TYR A 94 13.639 6.802 17.588 1.00 51.34 H new ATOM 0 HD2 TYR A 94 15.896 9.297 20.203 1.00 53.13 H new ATOM 0 HE1 TYR A 94 13.855 8.475 15.803 1.00 5.02 H new ATOM 0 HE2 TYR A 94 16.109 10.974 18.422 1.00 41.24 H new ATOM 0 HH TYR A 94 15.633 11.527 16.335 1.00 11.01 H new ATOM 1440 N GLN A 95 13.232 5.311 22.470 1.00 2.13 N ATOM 1441 CA GLN A 95 13.252 4.207 23.423 1.00 12.40 C ATOM 1442 C GLN A 95 11.905 3.492 23.455 1.00 63.11 C ATOM 1443 O GLN A 95 11.826 2.315 23.805 1.00 64.44 O ATOM 1444 CB GLN A 95 13.604 4.719 24.821 1.00 62.31 C ATOM 1445 CG GLN A 95 14.845 5.597 24.853 1.00 72.23 C ATOM 1446 CD GLN A 95 15.452 5.699 26.238 1.00 13.41 C ATOM 1447 OE1 GLN A 95 14.965 5.087 27.189 1.00 54.02 O ATOM 1448 NE2 GLN A 95 16.522 6.476 26.360 1.00 53.42 N ATOM 0 H GLN A 95 13.227 6.237 22.897 1.00 2.13 H new ATOM 0 HA GLN A 95 14.013 3.496 23.102 1.00 12.40 H new ATOM 0 HB2 GLN A 95 12.759 5.284 25.215 1.00 62.31 H new ATOM 0 HB3 GLN A 95 13.755 3.867 25.484 1.00 62.31 H new ATOM 0 HG2 GLN A 95 15.588 5.195 24.164 1.00 72.23 H new ATOM 0 HG3 GLN A 95 14.588 6.595 24.499 1.00 72.23 H new ATOM 0 HE21 GLN A 95 16.893 6.965 25.545 1.00 53.42 H new ATOM 0 HE22 GLN A 95 16.973 6.584 27.268 1.00 53.42 H new ATOM 1457 N GLN A 96 10.850 4.211 23.088 1.00 13.20 N ATOM 1458 CA GLN A 96 9.506 3.644 23.076 1.00 3.21 C ATOM 1459 C GLN A 96 9.230 2.926 21.759 1.00 2.13 C ATOM 1460 O GLN A 96 8.330 2.092 21.672 1.00 12.42 O ATOM 1461 CB GLN A 96 8.465 4.742 23.300 1.00 33.23 C ATOM 1462 CG GLN A 96 7.698 4.596 24.605 1.00 71.53 C ATOM 1463 CD GLN A 96 6.906 5.839 24.959 1.00 62.11 C ATOM 1464 OE1 GLN A 96 6.854 6.797 24.187 1.00 61.44 O ATOM 1465 NE2 GLN A 96 6.284 5.831 26.132 1.00 71.31 N ATOM 0 H GLN A 96 10.899 5.187 22.795 1.00 13.20 H new ATOM 0 HA GLN A 96 9.438 2.918 23.886 1.00 3.21 H new ATOM 0 HB2 GLN A 96 8.963 5.711 23.287 1.00 33.23 H new ATOM 0 HB3 GLN A 96 7.758 4.736 22.470 1.00 33.23 H new ATOM 0 HG2 GLN A 96 7.019 3.747 24.530 1.00 71.53 H new ATOM 0 HG3 GLN A 96 8.398 4.374 25.411 1.00 71.53 H new ATOM 0 HE21 GLN A 96 6.354 5.016 26.741 1.00 71.31 H new ATOM 0 HE22 GLN A 96 5.736 6.640 26.424 1.00 71.31 H new ATOM 1474 N GLY A 97 10.012 3.256 20.735 1.00 11.24 N ATOM 1475 CA GLY A 97 9.835 2.634 19.436 1.00 21.24 C ATOM 1476 C GLY A 97 9.445 3.631 18.364 1.00 45.43 C ATOM 1477 O GLY A 97 8.699 3.303 17.443 1.00 74.43 O ATOM 0 H GLY A 97 10.765 3.943 20.782 1.00 11.24 H new ATOM 0 HA2 GLY A 97 10.760 2.137 19.146 1.00 21.24 H new ATOM 0 HA3 GLY A 97 9.068 1.863 19.507 1.00 21.24 H new ATOM 1481 N ALA A 98 9.951 4.855 18.484 1.00 62.44 N ATOM 1482 CA ALA A 98 9.652 5.903 17.516 1.00 10.14 C ATOM 1483 C ALA A 98 10.233 5.569 16.147 1.00 64.11 C ATOM 1484 O ALA A 98 11.117 4.720 16.027 1.00 73.42 O ATOM 1485 CB ALA A 98 10.186 7.241 18.006 1.00 13.13 C ATOM 0 H ALA A 98 10.569 5.144 19.242 1.00 62.44 H new ATOM 0 HA ALA A 98 8.569 5.971 17.414 1.00 10.14 H new ATOM 0 HB1 ALA A 98 9.956 8.015 17.274 1.00 13.13 H new ATOM 0 HB2 ALA A 98 9.719 7.492 18.958 1.00 13.13 H new ATOM 0 HB3 ALA A 98 11.266 7.176 18.138 1.00 13.13 H new ATOM 1491 N PHE A 99 9.732 6.242 15.116 1.00 21.52 N ATOM 1492 CA PHE A 99 10.201 6.014 13.754 1.00 11.32 C ATOM 1493 C PHE A 99 11.224 7.071 13.348 1.00 60.01 C ATOM 1494 O PHE A 99 12.343 6.746 12.951 1.00 5.43 O ATOM 1495 CB PHE A 99 9.023 6.027 12.778 1.00 72.11 C ATOM 1496 CG PHE A 99 9.353 5.446 11.433 1.00 40.55 C ATOM 1497 CD1 PHE A 99 9.378 4.074 11.243 1.00 45.12 C ATOM 1498 CD2 PHE A 99 9.637 6.273 10.358 1.00 44.05 C ATOM 1499 CE1 PHE A 99 9.683 3.538 10.006 1.00 32.40 C ATOM 1500 CE2 PHE A 99 9.942 5.742 9.118 1.00 0.12 C ATOM 1501 CZ PHE A 99 9.964 4.373 8.942 1.00 33.51 C ATOM 0 H PHE A 99 9.002 6.949 15.198 1.00 21.52 H new ATOM 0 HA PHE A 99 10.681 5.036 13.720 1.00 11.32 H new ATOM 0 HB2 PHE A 99 8.195 5.468 13.213 1.00 72.11 H new ATOM 0 HB3 PHE A 99 8.681 7.054 12.647 1.00 72.11 H new ATOM 0 HD1 PHE A 99 9.157 3.416 12.070 1.00 45.12 H new ATOM 0 HD2 PHE A 99 9.620 7.345 10.490 1.00 44.05 H new ATOM 0 HE1 PHE A 99 9.702 2.467 9.871 1.00 32.40 H new ATOM 0 HE2 PHE A 99 10.163 6.397 8.288 1.00 0.12 H new ATOM 0 HZ PHE A 99 10.200 3.956 7.974 1.00 33.51 H new ATOM 1511 N ASP A 100 10.831 8.336 13.449 1.00 20.11 N ATOM 1512 CA ASP A 100 11.713 9.441 13.093 1.00 50.31 C ATOM 1513 C ASP A 100 11.147 10.769 13.588 1.00 25.21 C ATOM 1514 O ASP A 100 10.047 10.820 14.139 1.00 65.31 O ATOM 1515 CB ASP A 100 11.916 9.492 11.578 1.00 55.52 C ATOM 1516 CG ASP A 100 13.375 9.378 11.185 1.00 42.34 C ATOM 1517 OD1 ASP A 100 14.114 10.371 11.351 1.00 4.31 O ATOM 1518 OD2 ASP A 100 13.779 8.296 10.711 1.00 32.44 O ATOM 0 H ASP A 100 9.907 8.622 13.774 1.00 20.11 H new ATOM 0 HA ASP A 100 12.676 9.275 13.575 1.00 50.31 H new ATOM 0 HB2 ASP A 100 11.353 8.684 11.112 1.00 55.52 H new ATOM 0 HB3 ASP A 100 11.511 10.427 11.191 1.00 55.52 H new ATOM 1523 N TYR A 101 11.907 11.840 13.389 1.00 11.33 N ATOM 1524 CA TYR A 101 11.483 13.168 13.819 1.00 63.23 C ATOM 1525 C TYR A 101 11.327 14.103 12.623 1.00 4.04 C ATOM 1526 O TYR A 101 12.301 14.424 11.940 1.00 14.52 O ATOM 1527 CB TYR A 101 12.491 13.752 14.810 1.00 44.14 C ATOM 1528 CG TYR A 101 12.007 15.009 15.496 1.00 41.54 C ATOM 1529 CD1 TYR A 101 10.779 15.042 16.145 1.00 61.44 C ATOM 1530 CD2 TYR A 101 12.778 16.165 15.495 1.00 3.33 C ATOM 1531 CE1 TYR A 101 10.333 16.189 16.772 1.00 75.52 C ATOM 1532 CE2 TYR A 101 12.340 17.316 16.121 1.00 4.43 C ATOM 1533 CZ TYR A 101 11.117 17.323 16.758 1.00 53.13 C ATOM 1534 OH TYR A 101 10.676 18.467 17.383 1.00 50.24 O ATOM 0 H TYR A 101 12.819 11.815 12.933 1.00 11.33 H new ATOM 0 HA TYR A 101 10.515 13.072 14.311 1.00 63.23 H new ATOM 0 HB2 TYR A 101 12.721 13.001 15.566 1.00 44.14 H new ATOM 0 HB3 TYR A 101 13.420 13.970 14.284 1.00 44.14 H new ATOM 0 HD1 TYR A 101 10.162 14.155 16.159 1.00 61.44 H new ATOM 0 HD2 TYR A 101 13.736 16.164 14.996 1.00 3.33 H new ATOM 0 HE1 TYR A 101 9.375 16.198 17.271 1.00 75.52 H new ATOM 0 HE2 TYR A 101 12.952 18.206 16.112 1.00 4.43 H new ATOM 0 HH TYR A 101 10.507 19.161 16.713 1.00 50.24 H new ATOM 1544 N LEU A 102 10.096 14.537 12.377 1.00 4.22 N ATOM 1545 CA LEU A 102 9.811 15.437 11.265 1.00 75.10 C ATOM 1546 C LEU A 102 9.377 16.809 11.772 1.00 64.22 C ATOM 1547 O LEU A 102 8.197 17.159 11.757 1.00 42.12 O ATOM 1548 CB LEU A 102 8.721 14.844 10.370 1.00 33.44 C ATOM 1549 CG LEU A 102 8.568 15.478 8.988 1.00 40.33 C ATOM 1550 CD1 LEU A 102 9.779 15.169 8.122 1.00 63.03 C ATOM 1551 CD2 LEU A 102 7.292 14.993 8.316 1.00 72.20 C ATOM 0 H LEU A 102 9.280 14.281 12.932 1.00 4.22 H new ATOM 0 HA LEU A 102 10.725 15.557 10.684 1.00 75.10 H new ATOM 0 HB2 LEU A 102 8.925 13.781 10.239 1.00 33.44 H new ATOM 0 HB3 LEU A 102 7.767 14.924 10.892 1.00 33.44 H new ATOM 0 HG LEU A 102 8.501 16.559 9.111 1.00 40.33 H new ATOM 0 HD11 LEU A 102 9.652 15.629 7.142 1.00 63.03 H new ATOM 0 HD12 LEU A 102 10.676 15.567 8.596 1.00 63.03 H new ATOM 0 HD13 LEU A 102 9.878 14.090 8.007 1.00 63.03 H new ATOM 0 HD21 LEU A 102 7.200 15.455 7.333 1.00 72.20 H new ATOM 0 HD22 LEU A 102 7.328 13.909 8.205 1.00 72.20 H new ATOM 0 HD23 LEU A 102 6.432 15.267 8.927 1.00 72.20 H new ATOM 1563 N PRO A 103 10.354 17.606 12.230 1.00 51.11 N ATOM 1564 CA PRO A 103 10.098 18.954 12.747 1.00 23.43 C ATOM 1565 C PRO A 103 9.684 19.927 11.649 1.00 3.32 C ATOM 1566 O PRO A 103 10.134 19.820 10.508 1.00 53.20 O ATOM 1567 CB PRO A 103 11.445 19.365 13.347 1.00 64.13 C ATOM 1568 CG PRO A 103 12.453 18.560 12.601 1.00 3.20 C ATOM 1569 CD PRO A 103 11.783 17.254 12.277 1.00 31.35 C ATOM 0 HA PRO A 103 9.276 18.967 13.462 1.00 23.43 H new ATOM 0 HB2 PRO A 103 11.623 20.433 13.226 1.00 64.13 H new ATOM 0 HB3 PRO A 103 11.483 19.155 14.416 1.00 64.13 H new ATOM 0 HG2 PRO A 103 12.767 19.073 11.692 1.00 3.20 H new ATOM 0 HG3 PRO A 103 13.348 18.401 13.203 1.00 3.20 H new ATOM 0 HD2 PRO A 103 12.129 16.850 11.325 1.00 31.35 H new ATOM 0 HD3 PRO A 103 11.986 16.499 13.036 1.00 31.35 H new ATOM 1577 N LYS A 104 8.825 20.878 12.001 1.00 62.11 N ATOM 1578 CA LYS A 104 8.351 21.873 11.046 1.00 22.22 C ATOM 1579 C LYS A 104 9.082 23.199 11.234 1.00 34.32 C ATOM 1580 O LYS A 104 9.606 23.499 12.307 1.00 43.23 O ATOM 1581 CB LYS A 104 6.843 22.082 11.203 1.00 43.31 C ATOM 1582 CG LYS A 104 6.394 22.209 12.648 1.00 31.13 C ATOM 1583 CD LYS A 104 5.005 22.818 12.749 1.00 5.11 C ATOM 1584 CE LYS A 104 4.503 22.825 14.185 1.00 73.44 C ATOM 1585 NZ LYS A 104 3.581 23.965 14.444 1.00 4.44 N ATOM 0 H LYS A 104 8.443 20.981 12.941 1.00 62.11 H new ATOM 0 HA LYS A 104 8.558 21.504 10.041 1.00 22.22 H new ATOM 0 HB2 LYS A 104 6.551 22.981 10.660 1.00 43.31 H new ATOM 0 HB3 LYS A 104 6.319 21.246 10.741 1.00 43.31 H new ATOM 0 HG2 LYS A 104 6.396 21.226 13.118 1.00 31.13 H new ATOM 0 HG3 LYS A 104 7.104 22.827 13.198 1.00 31.13 H new ATOM 0 HD2 LYS A 104 5.025 23.838 12.364 1.00 5.11 H new ATOM 0 HD3 LYS A 104 4.313 22.254 12.123 1.00 5.11 H new ATOM 0 HE2 LYS A 104 3.989 21.887 14.395 1.00 73.44 H new ATOM 0 HE3 LYS A 104 5.352 22.882 14.866 1.00 73.44 H new ATOM 0 HZ1 LYS A 104 3.261 23.935 15.433 1.00 4.44 H new ATOM 0 HZ2 LYS A 104 4.079 24.861 14.269 1.00 4.44 H new ATOM 0 HZ3 LYS A 104 2.758 23.897 13.812 1.00 4.44 H new ATOM 1599 N PRO A 105 9.116 24.012 10.169 1.00 43.54 N ATOM 1600 CA PRO A 105 8.496 23.665 8.887 1.00 52.13 C ATOM 1601 C PRO A 105 9.233 22.538 8.172 1.00 20.55 C ATOM 1602 O PRO A 105 10.463 22.517 8.128 1.00 23.01 O ATOM 1603 CB PRO A 105 8.595 24.963 8.081 1.00 11.14 C ATOM 1604 CG PRO A 105 9.756 25.687 8.671 1.00 14.22 C ATOM 1605 CD PRO A 105 9.765 25.334 10.133 1.00 54.21 C ATOM 0 HA PRO A 105 7.476 23.302 9.014 1.00 52.13 H new ATOM 0 HB2 PRO A 105 8.752 24.760 7.022 1.00 11.14 H new ATOM 0 HB3 PRO A 105 7.680 25.550 8.161 1.00 11.14 H new ATOM 0 HG2 PRO A 105 10.688 25.387 8.191 1.00 14.22 H new ATOM 0 HG3 PRO A 105 9.657 26.763 8.530 1.00 14.22 H new ATOM 0 HD2 PRO A 105 10.779 25.295 10.531 1.00 54.21 H new ATOM 0 HD3 PRO A 105 9.218 26.066 10.727 1.00 54.21 H new ATOM 1613 N PHE A 106 8.474 21.601 7.614 1.00 74.20 N ATOM 1614 CA PHE A 106 9.055 20.469 6.902 1.00 45.13 C ATOM 1615 C PHE A 106 8.576 20.433 5.454 1.00 51.14 C ATOM 1616 O PHE A 106 7.601 21.093 5.095 1.00 55.21 O ATOM 1617 CB PHE A 106 8.695 19.158 7.603 1.00 32.10 C ATOM 1618 CG PHE A 106 7.242 18.794 7.484 1.00 3.42 C ATOM 1619 CD1 PHE A 106 6.776 18.102 6.378 1.00 0.31 C ATOM 1620 CD2 PHE A 106 6.343 19.145 8.478 1.00 2.23 C ATOM 1621 CE1 PHE A 106 5.440 17.766 6.266 1.00 61.23 C ATOM 1622 CE2 PHE A 106 5.006 18.811 8.372 1.00 44.14 C ATOM 1623 CZ PHE A 106 4.554 18.122 7.263 1.00 20.35 C ATOM 0 H PHE A 106 7.454 21.603 7.641 1.00 74.20 H new ATOM 0 HA PHE A 106 10.138 20.588 6.905 1.00 45.13 H new ATOM 0 HB2 PHE A 106 9.299 18.353 7.183 1.00 32.10 H new ATOM 0 HB3 PHE A 106 8.957 19.236 8.658 1.00 32.10 H new ATOM 0 HD1 PHE A 106 7.464 17.822 5.594 1.00 0.31 H new ATOM 0 HD2 PHE A 106 6.691 19.686 9.346 1.00 2.23 H new ATOM 0 HE1 PHE A 106 5.090 17.225 5.399 1.00 61.23 H new ATOM 0 HE2 PHE A 106 4.316 19.088 9.155 1.00 44.14 H new ATOM 0 HZ PHE A 106 3.509 17.862 7.176 1.00 20.35 H new ATOM 1633 N ASP A 107 9.269 19.658 4.627 1.00 52.25 N ATOM 1634 CA ASP A 107 8.914 19.535 3.217 1.00 25.23 C ATOM 1635 C ASP A 107 7.951 18.372 2.999 1.00 45.01 C ATOM 1636 O ASP A 107 8.349 17.207 3.044 1.00 11.55 O ATOM 1637 CB ASP A 107 10.172 19.338 2.369 1.00 54.43 C ATOM 1638 CG ASP A 107 10.780 20.653 1.922 1.00 53.34 C ATOM 1639 OD1 ASP A 107 11.032 21.515 2.789 1.00 25.12 O ATOM 1640 OD2 ASP A 107 11.002 20.821 0.704 1.00 11.10 O ATOM 0 H ASP A 107 10.079 19.106 4.908 1.00 52.25 H new ATOM 0 HA ASP A 107 8.418 20.456 2.910 1.00 25.23 H new ATOM 0 HB2 ASP A 107 10.909 18.776 2.943 1.00 54.43 H new ATOM 0 HB3 ASP A 107 9.926 18.738 1.493 1.00 54.43 H new ATOM 1645 N ILE A 108 6.685 18.696 2.763 1.00 53.00 N ATOM 1646 CA ILE A 108 5.666 17.678 2.538 1.00 53.43 C ATOM 1647 C ILE A 108 6.077 16.726 1.420 1.00 42.31 C ATOM 1648 O ILE A 108 5.643 15.575 1.380 1.00 23.11 O ATOM 1649 CB ILE A 108 4.307 18.311 2.184 1.00 52.03 C ATOM 1650 CG1 ILE A 108 4.336 18.872 0.760 1.00 21.24 C ATOM 1651 CG2 ILE A 108 3.955 19.404 3.182 1.00 21.43 C ATOM 1652 CD1 ILE A 108 5.216 20.093 0.610 1.00 11.01 C ATOM 0 H ILE A 108 6.340 19.655 2.723 1.00 53.00 H new ATOM 0 HA ILE A 108 5.567 17.120 3.469 1.00 53.43 H new ATOM 0 HB ILE A 108 3.539 17.539 2.235 1.00 52.03 H new ATOM 0 HG12 ILE A 108 4.686 18.096 0.079 1.00 21.24 H new ATOM 0 HG13 ILE A 108 3.320 19.127 0.458 1.00 21.24 H new ATOM 0 HG21 ILE A 108 2.992 19.841 2.918 1.00 21.43 H new ATOM 0 HG22 ILE A 108 3.898 18.978 4.183 1.00 21.43 H new ATOM 0 HG23 ILE A 108 4.723 20.177 3.161 1.00 21.43 H new ATOM 0 HD11 ILE A 108 5.189 20.436 -0.424 1.00 11.01 H new ATOM 0 HD12 ILE A 108 4.854 20.885 1.265 1.00 11.01 H new ATOM 0 HD13 ILE A 108 6.241 19.838 0.881 1.00 11.01 H new ATOM 1664 N ASP A 109 6.918 17.214 0.515 1.00 50.25 N ATOM 1665 CA ASP A 109 7.391 16.406 -0.603 1.00 63.03 C ATOM 1666 C ASP A 109 8.185 15.202 -0.106 1.00 0.04 C ATOM 1667 O ASP A 109 8.082 14.108 -0.659 1.00 21.22 O ATOM 1668 CB ASP A 109 8.256 17.250 -1.541 1.00 11.33 C ATOM 1669 CG ASP A 109 7.445 18.274 -2.311 1.00 2.23 C ATOM 1670 OD1 ASP A 109 6.238 18.037 -2.523 1.00 60.51 O ATOM 1671 OD2 ASP A 109 8.018 19.313 -2.702 1.00 22.12 O ATOM 0 H ASP A 109 7.286 18.165 0.534 1.00 50.25 H new ATOM 0 HA ASP A 109 6.521 16.044 -1.151 1.00 63.03 H new ATOM 0 HB2 ASP A 109 9.024 17.761 -0.961 1.00 11.33 H new ATOM 0 HB3 ASP A 109 8.770 16.595 -2.244 1.00 11.33 H new ATOM 1676 N GLU A 110 8.977 15.413 0.941 1.00 11.21 N ATOM 1677 CA GLU A 110 9.789 14.345 1.511 1.00 24.03 C ATOM 1678 C GLU A 110 8.995 13.549 2.543 1.00 61.33 C ATOM 1679 O GLU A 110 9.318 12.398 2.837 1.00 54.14 O ATOM 1680 CB GLU A 110 11.050 14.923 2.158 1.00 63.45 C ATOM 1681 CG GLU A 110 11.925 13.876 2.828 1.00 14.31 C ATOM 1682 CD GLU A 110 12.444 12.838 1.853 1.00 71.14 C ATOM 1683 OE1 GLU A 110 11.641 11.995 1.401 1.00 55.34 O ATOM 1684 OE2 GLU A 110 13.653 12.868 1.542 1.00 72.54 O ATOM 0 H GLU A 110 9.073 16.313 1.411 1.00 11.21 H new ATOM 0 HA GLU A 110 10.078 13.673 0.703 1.00 24.03 H new ATOM 0 HB2 GLU A 110 11.635 15.440 1.397 1.00 63.45 H new ATOM 0 HB3 GLU A 110 10.759 15.669 2.898 1.00 63.45 H new ATOM 0 HG2 GLU A 110 12.769 14.369 3.311 1.00 14.31 H new ATOM 0 HG3 GLU A 110 11.354 13.379 3.612 1.00 14.31 H new ATOM 1691 N ALA A 111 7.955 14.171 3.089 1.00 64.31 N ATOM 1692 CA ALA A 111 7.114 13.521 4.086 1.00 20.30 C ATOM 1693 C ALA A 111 6.176 12.508 3.437 1.00 4.13 C ATOM 1694 O ALA A 111 5.934 11.432 3.984 1.00 64.10 O ATOM 1695 CB ALA A 111 6.317 14.559 4.862 1.00 23.00 C ATOM 0 H ALA A 111 7.675 15.124 2.857 1.00 64.31 H new ATOM 0 HA ALA A 111 7.763 12.985 4.779 1.00 20.30 H new ATOM 0 HB1 ALA A 111 5.693 14.059 5.603 1.00 23.00 H new ATOM 0 HB2 ALA A 111 7.002 15.242 5.365 1.00 23.00 H new ATOM 0 HB3 ALA A 111 5.684 15.120 4.175 1.00 23.00 H new ATOM 1701 N VAL A 112 5.650 12.860 2.268 1.00 23.23 N ATOM 1702 CA VAL A 112 4.739 11.981 1.545 1.00 41.23 C ATOM 1703 C VAL A 112 5.330 10.584 1.390 1.00 51.34 C ATOM 1704 O VAL A 112 4.621 9.584 1.495 1.00 54.21 O ATOM 1705 CB VAL A 112 4.406 12.544 0.150 1.00 63.30 C ATOM 1706 CG1 VAL A 112 3.639 11.518 -0.670 1.00 53.23 C ATOM 1707 CG2 VAL A 112 3.618 13.839 0.273 1.00 72.24 C ATOM 0 H VAL A 112 5.839 13.747 1.802 1.00 23.23 H new ATOM 0 HA VAL A 112 3.823 11.921 2.133 1.00 41.23 H new ATOM 0 HB VAL A 112 5.340 12.762 -0.368 1.00 63.30 H new ATOM 0 HG11 VAL A 112 3.412 11.933 -1.652 1.00 53.23 H new ATOM 0 HG12 VAL A 112 4.245 10.619 -0.787 1.00 53.23 H new ATOM 0 HG13 VAL A 112 2.710 11.265 -0.160 1.00 53.23 H new ATOM 0 HG21 VAL A 112 3.391 14.223 -0.722 1.00 72.24 H new ATOM 0 HG22 VAL A 112 2.688 13.650 0.809 1.00 72.24 H new ATOM 0 HG23 VAL A 112 4.209 14.574 0.819 1.00 72.24 H new ATOM 1717 N ALA A 113 6.634 10.524 1.139 1.00 34.31 N ATOM 1718 CA ALA A 113 7.321 9.249 0.972 1.00 50.20 C ATOM 1719 C ALA A 113 7.720 8.659 2.321 1.00 54.54 C ATOM 1720 O ALA A 113 7.878 7.446 2.457 1.00 72.55 O ATOM 1721 CB ALA A 113 8.546 9.422 0.087 1.00 42.54 C ATOM 0 H ALA A 113 7.235 11.343 1.047 1.00 34.31 H new ATOM 0 HA ALA A 113 6.633 8.554 0.490 1.00 50.20 H new ATOM 0 HB1 ALA A 113 9.049 8.462 -0.029 1.00 42.54 H new ATOM 0 HB2 ALA A 113 8.239 9.791 -0.891 1.00 42.54 H new ATOM 0 HB3 ALA A 113 9.229 10.137 0.547 1.00 42.54 H new ATOM 1727 N LEU A 114 7.881 9.525 3.315 1.00 43.30 N ATOM 1728 CA LEU A 114 8.262 9.090 4.654 1.00 25.01 C ATOM 1729 C LEU A 114 7.076 8.466 5.382 1.00 1.33 C ATOM 1730 O LEU A 114 7.247 7.603 6.244 1.00 54.44 O ATOM 1731 CB LEU A 114 8.807 10.271 5.460 1.00 33.30 C ATOM 1732 CG LEU A 114 8.900 10.065 6.972 1.00 13.24 C ATOM 1733 CD1 LEU A 114 10.032 9.109 7.313 1.00 43.15 C ATOM 1734 CD2 LEU A 114 9.093 11.398 7.681 1.00 64.02 C ATOM 0 H LEU A 114 7.754 10.532 3.219 1.00 43.30 H new ATOM 0 HA LEU A 114 9.042 8.335 4.556 1.00 25.01 H new ATOM 0 HB2 LEU A 114 9.801 10.513 5.085 1.00 33.30 H new ATOM 0 HB3 LEU A 114 8.174 11.138 5.270 1.00 33.30 H new ATOM 0 HG LEU A 114 7.965 9.624 7.317 1.00 13.24 H new ATOM 0 HD11 LEU A 114 10.082 8.975 8.394 1.00 43.15 H new ATOM 0 HD12 LEU A 114 9.851 8.146 6.836 1.00 43.15 H new ATOM 0 HD13 LEU A 114 10.976 9.520 6.954 1.00 43.15 H new ATOM 0 HD21 LEU A 114 9.157 11.232 8.756 1.00 64.02 H new ATOM 0 HD22 LEU A 114 10.013 11.867 7.331 1.00 64.02 H new ATOM 0 HD23 LEU A 114 8.248 12.051 7.464 1.00 64.02 H new ATOM 1746 N VAL A 115 5.873 8.908 5.029 1.00 70.50 N ATOM 1747 CA VAL A 115 4.657 8.391 5.646 1.00 24.52 C ATOM 1748 C VAL A 115 4.492 6.900 5.370 1.00 52.41 C ATOM 1749 O VAL A 115 4.152 6.128 6.265 1.00 24.42 O ATOM 1750 CB VAL A 115 3.409 9.137 5.139 1.00 3.34 C ATOM 1751 CG1 VAL A 115 2.150 8.562 5.770 1.00 41.03 C ATOM 1752 CG2 VAL A 115 3.527 10.626 5.427 1.00 53.54 C ATOM 0 H VAL A 115 5.714 9.623 4.319 1.00 70.50 H new ATOM 0 HA VAL A 115 4.755 8.550 6.720 1.00 24.52 H new ATOM 0 HB VAL A 115 3.339 9.002 4.060 1.00 3.34 H new ATOM 0 HG11 VAL A 115 1.278 9.102 5.400 1.00 41.03 H new ATOM 0 HG12 VAL A 115 2.061 7.507 5.509 1.00 41.03 H new ATOM 0 HG13 VAL A 115 2.207 8.664 6.854 1.00 41.03 H new ATOM 0 HG21 VAL A 115 2.637 11.139 5.062 1.00 53.54 H new ATOM 0 HG22 VAL A 115 3.621 10.782 6.502 1.00 53.54 H new ATOM 0 HG23 VAL A 115 4.407 11.025 4.924 1.00 53.54 H new ATOM 1762 N GLU A 116 4.734 6.504 4.124 1.00 3.52 N ATOM 1763 CA GLU A 116 4.611 5.106 3.730 1.00 24.13 C ATOM 1764 C GLU A 116 5.883 4.332 4.067 1.00 33.04 C ATOM 1765 O GLU A 116 5.869 3.104 4.159 1.00 51.35 O ATOM 1766 CB GLU A 116 4.318 4.999 2.232 1.00 21.24 C ATOM 1767 CG GLU A 116 5.308 5.755 1.363 1.00 40.34 C ATOM 1768 CD GLU A 116 5.628 5.025 0.073 1.00 65.01 C ATOM 1769 OE1 GLU A 116 4.813 4.176 -0.346 1.00 3.51 O ATOM 1770 OE2 GLU A 116 6.694 5.301 -0.517 1.00 54.42 O ATOM 0 H GLU A 116 5.016 7.131 3.371 1.00 3.52 H new ATOM 0 HA GLU A 116 3.782 4.670 4.287 1.00 24.13 H new ATOM 0 HB2 GLU A 116 4.323 3.948 1.944 1.00 21.24 H new ATOM 0 HB3 GLU A 116 3.314 5.378 2.039 1.00 21.24 H new ATOM 0 HG2 GLU A 116 4.902 6.739 1.128 1.00 40.34 H new ATOM 0 HG3 GLU A 116 6.229 5.916 1.923 1.00 40.34 H new ATOM 1777 N ARG A 117 6.980 5.059 4.251 1.00 51.13 N ATOM 1778 CA ARG A 117 8.260 4.442 4.576 1.00 61.23 C ATOM 1779 C ARG A 117 8.099 3.408 5.686 1.00 34.23 C ATOM 1780 O ARG A 117 8.713 2.342 5.650 1.00 41.32 O ATOM 1781 CB ARG A 117 9.271 5.508 5.000 1.00 5.12 C ATOM 1782 CG ARG A 117 10.459 5.630 4.060 1.00 63.33 C ATOM 1783 CD ARG A 117 11.777 5.569 4.816 1.00 42.40 C ATOM 1784 NE ARG A 117 12.822 4.903 4.043 1.00 51.21 N ATOM 1785 CZ ARG A 117 12.828 3.600 3.786 1.00 51.03 C ATOM 1786 NH1 ARG A 117 11.850 2.827 4.237 1.00 13.33 N ATOM 1787 NH2 ARG A 117 13.814 3.067 3.075 1.00 54.31 N ATOM 0 H ARG A 117 7.008 6.076 4.181 1.00 51.13 H new ATOM 0 HA ARG A 117 8.628 3.937 3.683 1.00 61.23 H new ATOM 0 HB2 ARG A 117 8.766 6.472 5.060 1.00 5.12 H new ATOM 0 HB3 ARG A 117 9.633 5.275 6.001 1.00 5.12 H new ATOM 0 HG2 ARG A 117 10.424 4.828 3.322 1.00 63.33 H new ATOM 0 HG3 ARG A 117 10.396 6.570 3.512 1.00 63.33 H new ATOM 0 HD2 ARG A 117 12.099 6.580 5.065 1.00 42.40 H new ATOM 0 HD3 ARG A 117 11.630 5.040 5.758 1.00 42.40 H new ATOM 0 HE ARG A 117 13.589 5.469 3.681 1.00 51.21 H new ATOM 0 HH11 ARG A 117 11.090 3.233 4.783 1.00 13.33 H new ATOM 0 HH12 ARG A 117 11.858 1.827 4.038 1.00 13.33 H new ATOM 0 HH21 ARG A 117 14.568 3.658 2.725 1.00 54.31 H new ATOM 0 HH22 ARG A 117 13.818 2.066 2.878 1.00 54.31 H new ATOM 1801 N ALA A 118 7.268 3.731 6.672 1.00 23.14 N ATOM 1802 CA ALA A 118 7.025 2.830 7.792 1.00 1.12 C ATOM 1803 C ALA A 118 5.943 1.811 7.452 1.00 13.31 C ATOM 1804 O ALA A 118 6.011 0.656 7.873 1.00 73.14 O ATOM 1805 CB ALA A 118 6.636 3.622 9.032 1.00 43.22 C ATOM 0 H ALA A 118 6.752 4.610 6.718 1.00 23.14 H new ATOM 0 HA ALA A 118 7.948 2.287 7.996 1.00 1.12 H new ATOM 0 HB1 ALA A 118 6.458 2.936 9.860 1.00 43.22 H new ATOM 0 HB2 ALA A 118 7.443 4.306 9.295 1.00 43.22 H new ATOM 0 HB3 ALA A 118 5.729 4.191 8.830 1.00 43.22 H new ATOM 1811 N ILE A 119 4.945 2.247 6.690 1.00 64.34 N ATOM 1812 CA ILE A 119 3.849 1.372 6.293 1.00 21.44 C ATOM 1813 C ILE A 119 4.369 0.126 5.584 1.00 70.11 C ATOM 1814 O ILE A 119 3.853 -0.974 5.781 1.00 22.13 O ATOM 1815 CB ILE A 119 2.855 2.098 5.368 1.00 11.24 C ATOM 1816 CG1 ILE A 119 2.362 3.388 6.027 1.00 51.54 C ATOM 1817 CG2 ILE A 119 1.683 1.188 5.031 1.00 44.22 C ATOM 1818 CD1 ILE A 119 1.366 4.154 5.184 1.00 13.12 C ATOM 0 H ILE A 119 4.873 3.201 6.335 1.00 64.34 H new ATOM 0 HA ILE A 119 3.333 1.078 7.207 1.00 21.44 H new ATOM 0 HB ILE A 119 3.366 2.357 4.441 1.00 11.24 H new ATOM 0 HG12 ILE A 119 1.904 3.145 6.986 1.00 51.54 H new ATOM 0 HG13 ILE A 119 3.218 4.030 6.237 1.00 51.54 H new ATOM 0 HG21 ILE A 119 0.989 1.716 4.376 1.00 44.22 H new ATOM 0 HG22 ILE A 119 2.050 0.294 4.526 1.00 44.22 H new ATOM 0 HG23 ILE A 119 1.169 0.901 5.949 1.00 44.22 H new ATOM 0 HD11 ILE A 119 1.060 5.057 5.713 1.00 13.12 H new ATOM 0 HD12 ILE A 119 1.827 4.428 4.235 1.00 13.12 H new ATOM 0 HD13 ILE A 119 0.493 3.530 4.996 1.00 13.12 H new ATOM 1830 N SER A 120 5.395 0.307 4.758 1.00 30.54 N ATOM 1831 CA SER A 120 5.984 -0.803 4.017 1.00 4.55 C ATOM 1832 C SER A 120 6.804 -1.698 4.941 1.00 20.33 C ATOM 1833 O SER A 120 7.052 -2.865 4.634 1.00 0.15 O ATOM 1834 CB SER A 120 6.867 -0.275 2.885 1.00 42.02 C ATOM 1835 OG SER A 120 8.225 -0.207 3.286 1.00 73.03 O ATOM 0 H SER A 120 5.835 1.211 4.585 1.00 30.54 H new ATOM 0 HA SER A 120 5.174 -1.395 3.591 1.00 4.55 H new ATOM 0 HB2 SER A 120 6.774 -0.924 2.014 1.00 42.02 H new ATOM 0 HB3 SER A 120 6.524 0.715 2.583 1.00 42.02 H new ATOM 0 HG SER A 120 8.769 0.132 2.544 1.00 73.03 H new ATOM 1841 N HIS A 121 7.222 -1.144 6.075 1.00 43.03 N ATOM 1842 CA HIS A 121 8.014 -1.892 7.045 1.00 11.10 C ATOM 1843 C HIS A 121 7.271 -3.143 7.504 1.00 15.31 C ATOM 1844 O HIS A 121 7.876 -4.192 7.721 1.00 63.54 O ATOM 1845 CB HIS A 121 8.347 -1.012 8.250 1.00 44.42 C ATOM 1846 CG HIS A 121 9.427 -1.574 9.122 1.00 32.34 C ATOM 1847 ND1 HIS A 121 10.769 -1.461 8.827 1.00 11.31 N ATOM 1848 CD2 HIS A 121 9.356 -2.257 10.289 1.00 2.32 C ATOM 1849 CE1 HIS A 121 11.477 -2.050 9.774 1.00 61.43 C ATOM 1850 NE2 HIS A 121 10.644 -2.541 10.673 1.00 34.21 N ATOM 0 H HIS A 121 7.025 -0.180 6.345 1.00 43.03 H new ATOM 0 HA HIS A 121 8.941 -2.198 6.561 1.00 11.10 H new ATOM 0 HB2 HIS A 121 8.652 -0.027 7.897 1.00 44.42 H new ATOM 0 HB3 HIS A 121 7.446 -0.871 8.847 1.00 44.42 H new ATOM 0 HD2 HIS A 121 8.455 -2.528 10.819 1.00 2.32 H new ATOM 0 HE1 HIS A 121 12.554 -2.118 9.807 1.00 61.43 H new ATOM 0 HE2 HIS A 121 10.913 -3.049 11.516 1.00 34.21 H new