USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 552 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 6 CYS SG : rot -164:sc= 1.7 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.06 USER MOD Single : A 2 THR OG1 : rot 33:sc= 0.163 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.123 K(o=-0.12,f=-0.68) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= -0.0286 (180deg=-0.217) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.00325 USER MOD Single : A 26 TYR OH : rot -130:sc= -1.67! USER MOD Single : A 27 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.1!) USER MOD Single : A 29 MET CE :methyl 178:sc= -0.936 (180deg=-0.985) USER MOD Single : A 32 THR OG1 : rot -83:sc= 0.456 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -28:sc= 0.347 USER MOD Single : A 35 SER OG : rot 11:sc= 1.05 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= -0.231 (180deg=-0.265) USER MOD Single : A 45 LYS NZ :NH3+ -152:sc= 1.3 (180deg=1.17) USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= 1.14 (180deg=0.432) USER MOD Single : A 49 GLN : amide:sc= -0.49 K(o=-0.49,f=-8.3!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 60 LYS NZ :NH3+ -165:sc= -0.0358 (180deg=-0.282) USER MOD Single : A 61 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0581) USER MOD Single : A 62 SER OG : rot 77:sc= 0.395 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 30:sc= -1.13 USER MOD Single : A 68 GLN : amide:sc= 0.905 K(o=0.9,f=0) USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 2 -6.131 -2.163 -22.582 1.00 14.31 N ATOM 39 CA THR A 2 -6.081 -1.223 -21.503 1.00 41.51 C ATOM 40 C THR A 2 -6.947 -1.775 -20.375 1.00 74.21 C ATOM 41 O THR A 2 -8.148 -1.961 -20.553 1.00 64.50 O ATOM 42 CB THR A 2 -6.655 0.133 -21.953 1.00 71.41 C ATOM 43 OG1 THR A 2 -5.964 0.576 -23.137 1.00 11.45 O ATOM 44 CG2 THR A 2 -6.502 1.183 -20.857 1.00 3.11 C ATOM 0 HA THR A 2 -5.050 -1.078 -21.179 1.00 41.51 H new ATOM 0 HB THR A 2 -7.717 0.005 -22.164 1.00 71.41 H new ATOM 0 HG1 THR A 2 -5.702 -0.201 -23.673 1.00 11.45 H new ATOM 0 HG21 THR A 2 -6.915 2.131 -21.201 1.00 3.11 H new ATOM 0 HG22 THR A 2 -7.035 0.857 -19.964 1.00 3.11 H new ATOM 0 HG23 THR A 2 -5.446 1.312 -20.622 1.00 3.11 H new ATOM 52 N VAL A 3 -6.349 -2.053 -19.246 1.00 13.11 N ATOM 53 CA VAL A 3 -7.102 -2.608 -18.141 1.00 2.31 C ATOM 54 C VAL A 3 -7.243 -1.549 -17.058 1.00 74.31 C ATOM 55 O VAL A 3 -6.294 -0.786 -16.804 1.00 33.12 O ATOM 56 CB VAL A 3 -6.402 -3.847 -17.526 1.00 11.34 C ATOM 57 CG1 VAL A 3 -7.309 -4.556 -16.576 1.00 52.21 C ATOM 58 CG2 VAL A 3 -5.904 -4.815 -18.559 1.00 42.24 C ATOM 0 H VAL A 3 -5.356 -1.908 -19.064 1.00 13.11 H new ATOM 0 HA VAL A 3 -8.075 -2.918 -18.523 1.00 2.31 H new ATOM 0 HB VAL A 3 -5.533 -3.464 -16.990 1.00 11.34 H new ATOM 0 HG11 VAL A 3 -6.794 -5.421 -16.158 1.00 52.21 H new ATOM 0 HG12 VAL A 3 -7.593 -3.879 -15.770 1.00 52.21 H new ATOM 0 HG13 VAL A 3 -8.203 -4.886 -17.105 1.00 52.21 H new ATOM 0 HG21 VAL A 3 -5.424 -5.660 -18.065 1.00 42.24 H new ATOM 0 HG22 VAL A 3 -6.742 -5.173 -19.157 1.00 42.24 H new ATOM 0 HG23 VAL A 3 -5.183 -4.317 -19.207 1.00 42.24 H new ATOM 68 N TYR A 4 -8.409 -1.475 -16.442 1.00 60.24 N ATOM 69 CA TYR A 4 -8.643 -0.533 -15.382 1.00 2.31 C ATOM 70 C TYR A 4 -8.620 -1.256 -14.027 1.00 31.32 C ATOM 71 O TYR A 4 -9.262 -2.303 -13.856 1.00 52.32 O ATOM 72 CB TYR A 4 -9.980 0.153 -15.600 1.00 72.41 C ATOM 73 CG TYR A 4 -10.105 0.853 -16.948 1.00 4.42 C ATOM 74 CD1 TYR A 4 -10.512 0.159 -18.078 1.00 53.53 C ATOM 75 CD2 TYR A 4 -9.831 2.201 -17.081 1.00 3.51 C ATOM 76 CE1 TYR A 4 -10.644 0.786 -19.293 1.00 15.53 C ATOM 77 CE2 TYR A 4 -9.959 2.838 -18.298 1.00 64.45 C ATOM 78 CZ TYR A 4 -10.368 2.124 -19.401 1.00 23.45 C ATOM 79 OH TYR A 4 -10.511 2.762 -20.613 1.00 52.24 O ATOM 0 H TYR A 4 -9.210 -2.065 -16.666 1.00 60.24 H new ATOM 0 HA TYR A 4 -7.857 0.222 -15.383 1.00 2.31 H new ATOM 0 HB2 TYR A 4 -10.775 -0.587 -15.511 1.00 72.41 H new ATOM 0 HB3 TYR A 4 -10.135 0.884 -14.807 1.00 72.41 H new ATOM 0 HD1 TYR A 4 -10.730 -0.896 -18.001 1.00 53.53 H new ATOM 0 HD2 TYR A 4 -9.511 2.765 -16.218 1.00 3.51 H new ATOM 0 HE1 TYR A 4 -10.964 0.227 -20.160 1.00 15.53 H new ATOM 0 HE2 TYR A 4 -9.739 3.892 -18.385 1.00 64.45 H new ATOM 0 HH TYR A 4 -10.276 3.708 -20.514 1.00 52.24 H new ATOM 89 N ILE A 5 -7.877 -0.710 -13.081 1.00 24.24 N ATOM 90 CA ILE A 5 -7.720 -1.308 -11.758 1.00 13.20 C ATOM 91 C ILE A 5 -8.313 -0.385 -10.690 1.00 32.32 C ATOM 92 O ILE A 5 -7.936 0.771 -10.590 1.00 31.23 O ATOM 93 CB ILE A 5 -6.198 -1.487 -11.327 1.00 60.43 C ATOM 94 CG1 ILE A 5 -5.313 -2.339 -12.261 1.00 70.24 C ATOM 95 CG2 ILE A 5 -6.098 -2.069 -9.918 1.00 52.20 C ATOM 96 CD1 ILE A 5 -5.150 -1.864 -13.693 1.00 74.32 C ATOM 0 H ILE A 5 -7.363 0.162 -13.204 1.00 24.24 H new ATOM 0 HA ILE A 5 -8.216 -2.276 -11.825 1.00 13.20 H new ATOM 0 HB ILE A 5 -5.806 -0.472 -11.384 1.00 60.43 H new ATOM 0 HG12 ILE A 5 -4.321 -2.409 -11.814 1.00 70.24 H new ATOM 0 HG13 ILE A 5 -5.723 -3.349 -12.286 1.00 70.24 H new ATOM 0 HG21 ILE A 5 -5.049 -2.183 -9.645 1.00 52.20 H new ATOM 0 HG22 ILE A 5 -6.586 -1.398 -9.212 1.00 52.20 H new ATOM 0 HG23 ILE A 5 -6.587 -3.043 -9.891 1.00 52.20 H new ATOM 0 HD11 ILE A 5 -4.504 -2.556 -14.234 1.00 74.32 H new ATOM 0 HD12 ILE A 5 -6.126 -1.825 -14.177 1.00 74.32 H new ATOM 0 HD13 ILE A 5 -4.702 -0.870 -13.698 1.00 74.32 H new ATOM 108 N CYS A 6 -9.224 -0.879 -9.929 1.00 4.44 N ATOM 109 CA CYS A 6 -9.641 -0.214 -8.737 1.00 12.13 C ATOM 110 C CYS A 6 -9.506 -1.206 -7.611 1.00 3.41 C ATOM 111 O CYS A 6 -10.359 -2.087 -7.455 1.00 21.42 O ATOM 112 CB CYS A 6 -11.054 0.337 -8.789 1.00 32.54 C ATOM 113 SG CYS A 6 -11.515 1.231 -7.288 1.00 21.30 S ATOM 0 H CYS A 6 -9.706 -1.759 -10.113 1.00 4.44 H new ATOM 0 HA CYS A 6 -9.008 0.662 -8.596 1.00 12.13 H new ATOM 0 HB2 CYS A 6 -11.147 1.004 -9.646 1.00 32.54 H new ATOM 0 HB3 CYS A 6 -11.753 -0.484 -8.946 1.00 32.54 H new ATOM 0 HG CYS A 6 -12.807 1.371 -7.246 1.00 21.30 H new ATOM 119 N PRO A 7 -8.437 -1.105 -6.814 1.00 4.12 N ATOM 120 CA PRO A 7 -8.152 -2.069 -5.740 1.00 75.35 C ATOM 121 C PRO A 7 -9.207 -2.074 -4.622 1.00 24.14 C ATOM 122 O PRO A 7 -9.186 -2.931 -3.731 1.00 4.15 O ATOM 123 CB PRO A 7 -6.792 -1.603 -5.198 1.00 74.30 C ATOM 124 CG PRO A 7 -6.694 -0.169 -5.579 1.00 74.42 C ATOM 125 CD PRO A 7 -7.403 -0.045 -6.890 1.00 30.52 C ATOM 0 HA PRO A 7 -8.158 -3.092 -6.115 1.00 75.35 H new ATOM 0 HB2 PRO A 7 -6.735 -1.728 -4.117 1.00 74.30 H new ATOM 0 HB3 PRO A 7 -5.976 -2.182 -5.630 1.00 74.30 H new ATOM 0 HG2 PRO A 7 -7.154 0.468 -4.824 1.00 74.42 H new ATOM 0 HG3 PRO A 7 -5.653 0.142 -5.667 1.00 74.42 H new ATOM 0 HD2 PRO A 7 -7.847 0.943 -7.017 1.00 30.52 H new ATOM 0 HD3 PRO A 7 -6.727 -0.201 -7.730 1.00 30.52 H new ATOM 133 N GLU A 8 -10.136 -1.151 -4.695 1.00 14.05 N ATOM 134 CA GLU A 8 -11.122 -1.000 -3.666 1.00 51.44 C ATOM 135 C GLU A 8 -12.486 -1.440 -4.130 1.00 34.31 C ATOM 136 O GLU A 8 -12.991 -2.490 -3.729 1.00 42.55 O ATOM 137 CB GLU A 8 -11.208 0.450 -3.263 1.00 14.13 C ATOM 138 CG GLU A 8 -9.883 1.039 -2.968 1.00 61.54 C ATOM 139 CD GLU A 8 -9.979 2.460 -2.542 1.00 42.21 C ATOM 140 OE1 GLU A 8 -10.189 2.708 -1.335 1.00 23.14 O ATOM 141 OE2 GLU A 8 -9.868 3.358 -3.404 1.00 2.31 O ATOM 0 H GLU A 8 -10.225 -0.490 -5.467 1.00 14.05 H new ATOM 0 HA GLU A 8 -10.818 -1.625 -2.826 1.00 51.44 H new ATOM 0 HB2 GLU A 8 -11.684 1.018 -4.063 1.00 14.13 H new ATOM 0 HB3 GLU A 8 -11.846 0.542 -2.384 1.00 14.13 H new ATOM 0 HG2 GLU A 8 -9.397 0.459 -2.184 1.00 61.54 H new ATOM 0 HG3 GLU A 8 -9.252 0.970 -3.854 1.00 61.54 H new ATOM 148 N THR A 9 -13.061 -0.651 -5.006 1.00 21.30 N ATOM 149 CA THR A 9 -14.419 -0.821 -5.399 1.00 70.22 C ATOM 150 C THR A 9 -14.573 -1.672 -6.652 1.00 72.51 C ATOM 151 O THR A 9 -15.670 -1.762 -7.224 1.00 24.45 O ATOM 152 CB THR A 9 -15.100 0.554 -5.556 1.00 12.00 C ATOM 153 OG1 THR A 9 -14.393 1.340 -6.532 1.00 31.11 O ATOM 154 CG2 THR A 9 -15.072 1.296 -4.224 1.00 0.11 C ATOM 0 H THR A 9 -12.588 0.129 -5.463 1.00 21.30 H new ATOM 0 HA THR A 9 -14.922 -1.374 -4.605 1.00 70.22 H new ATOM 0 HB THR A 9 -16.130 0.401 -5.878 1.00 12.00 H new ATOM 0 HG1 THR A 9 -14.830 2.212 -6.629 1.00 31.11 H new ATOM 0 HG21 THR A 9 -15.554 2.267 -4.338 1.00 0.11 H new ATOM 0 HG22 THR A 9 -15.604 0.713 -3.472 1.00 0.11 H new ATOM 0 HG23 THR A 9 -14.038 1.439 -3.909 1.00 0.11 H new ATOM 162 N GLY A 10 -13.500 -2.296 -7.089 1.00 42.42 N ATOM 163 CA GLY A 10 -13.633 -3.223 -8.172 1.00 42.22 C ATOM 164 C GLY A 10 -13.287 -4.574 -7.656 1.00 43.55 C ATOM 165 O GLY A 10 -12.964 -4.707 -6.467 1.00 74.50 O ATOM 0 H GLY A 10 -12.557 -2.179 -6.719 1.00 42.42 H new ATOM 0 HA2 GLY A 10 -14.651 -3.212 -8.562 1.00 42.22 H new ATOM 0 HA3 GLY A 10 -12.973 -2.947 -8.995 1.00 42.22 H new ATOM 169 N ASP A 11 -13.329 -5.560 -8.481 1.00 22.24 N ATOM 170 CA ASP A 11 -13.032 -6.908 -8.054 1.00 72.40 C ATOM 171 C ASP A 11 -12.102 -7.540 -9.053 1.00 60.33 C ATOM 172 O ASP A 11 -12.120 -7.184 -10.226 1.00 41.12 O ATOM 173 CB ASP A 11 -14.306 -7.731 -7.877 1.00 31.43 C ATOM 174 CG ASP A 11 -14.013 -9.136 -7.426 1.00 3.32 C ATOM 175 OD1 ASP A 11 -13.838 -9.362 -6.222 1.00 30.11 O ATOM 176 OD2 ASP A 11 -13.928 -10.030 -8.276 1.00 44.33 O ATOM 0 H ASP A 11 -13.567 -5.470 -9.469 1.00 22.24 H new ATOM 0 HA ASP A 11 -12.545 -6.878 -7.079 1.00 72.40 H new ATOM 0 HB2 ASP A 11 -14.953 -7.244 -7.148 1.00 31.43 H new ATOM 0 HB3 ASP A 11 -14.853 -7.760 -8.820 1.00 31.43 H new ATOM 181 N ASP A 12 -11.278 -8.458 -8.603 1.00 73.45 N ATOM 182 CA ASP A 12 -10.258 -9.040 -9.454 1.00 73.54 C ATOM 183 C ASP A 12 -10.817 -10.146 -10.350 1.00 1.14 C ATOM 184 O ASP A 12 -10.107 -10.691 -11.174 1.00 30.33 O ATOM 185 CB ASP A 12 -9.084 -9.573 -8.632 1.00 13.14 C ATOM 186 CG ASP A 12 -9.447 -10.750 -7.769 1.00 52.21 C ATOM 187 OD1 ASP A 12 -10.081 -10.552 -6.725 1.00 14.30 O ATOM 188 OD2 ASP A 12 -9.077 -11.896 -8.120 1.00 61.22 O ATOM 0 H ASP A 12 -11.292 -8.821 -7.650 1.00 73.45 H new ATOM 0 HA ASP A 12 -9.898 -8.238 -10.098 1.00 73.54 H new ATOM 0 HB2 ASP A 12 -8.278 -9.861 -9.307 1.00 13.14 H new ATOM 0 HB3 ASP A 12 -8.699 -8.773 -8.000 1.00 13.14 H new ATOM 193 N GLY A 13 -12.077 -10.476 -10.182 1.00 10.01 N ATOM 194 CA GLY A 13 -12.689 -11.487 -11.012 1.00 1.25 C ATOM 195 C GLY A 13 -13.373 -10.891 -12.214 1.00 33.32 C ATOM 196 O GLY A 13 -13.892 -11.616 -13.070 1.00 62.43 O ATOM 0 H GLY A 13 -12.694 -10.062 -9.483 1.00 10.01 H new ATOM 0 HA2 GLY A 13 -11.928 -12.195 -11.341 1.00 1.25 H new ATOM 0 HA3 GLY A 13 -13.414 -12.049 -10.424 1.00 1.25 H new ATOM 200 N ASN A 14 -13.376 -9.570 -12.284 1.00 20.15 N ATOM 201 CA ASN A 14 -13.992 -8.855 -13.398 1.00 2.43 C ATOM 202 C ASN A 14 -13.112 -8.930 -14.632 1.00 63.24 C ATOM 203 O ASN A 14 -12.035 -9.530 -14.607 1.00 50.31 O ATOM 204 CB ASN A 14 -14.250 -7.378 -13.045 1.00 53.21 C ATOM 205 CG ASN A 14 -15.289 -7.173 -11.959 1.00 22.40 C ATOM 206 OD1 ASN A 14 -16.219 -7.962 -11.807 1.00 44.13 O ATOM 207 ND2 ASN A 14 -15.146 -6.103 -11.209 1.00 12.32 N ATOM 0 H ASN A 14 -12.956 -8.964 -11.579 1.00 20.15 H new ATOM 0 HA ASN A 14 -14.948 -9.336 -13.603 1.00 2.43 H new ATOM 0 HB2 ASN A 14 -13.312 -6.923 -12.726 1.00 53.21 H new ATOM 0 HB3 ASN A 14 -14.571 -6.851 -13.944 1.00 53.21 H new ATOM 0 HD21 ASN A 14 -15.821 -5.904 -10.470 1.00 12.32 H new ATOM 0 HD22 ASN A 14 -14.360 -5.472 -11.366 1.00 12.32 H new ATOM 214 N ASP A 15 -13.562 -8.328 -15.710 1.00 30.22 N ATOM 215 CA ASP A 15 -12.791 -8.303 -16.948 1.00 5.53 C ATOM 216 C ASP A 15 -11.921 -7.068 -17.042 1.00 42.05 C ATOM 217 O ASP A 15 -11.181 -6.889 -18.009 1.00 23.44 O ATOM 218 CB ASP A 15 -13.683 -8.449 -18.188 1.00 41.44 C ATOM 219 CG ASP A 15 -14.325 -9.814 -18.282 1.00 2.22 C ATOM 220 OD1 ASP A 15 -13.670 -10.760 -18.772 1.00 14.31 O ATOM 221 OD2 ASP A 15 -15.497 -9.971 -17.867 1.00 62.51 O ATOM 0 H ASP A 15 -14.459 -7.846 -15.762 1.00 30.22 H new ATOM 0 HA ASP A 15 -12.131 -9.170 -16.922 1.00 5.53 H new ATOM 0 HB2 ASP A 15 -14.461 -7.686 -18.164 1.00 41.44 H new ATOM 0 HB3 ASP A 15 -13.088 -8.269 -19.083 1.00 41.44 H new ATOM 226 N GLY A 16 -12.013 -6.217 -16.037 1.00 22.52 N ATOM 227 CA GLY A 16 -11.167 -5.046 -15.966 1.00 21.02 C ATOM 228 C GLY A 16 -11.587 -3.914 -16.852 1.00 21.22 C ATOM 229 O GLY A 16 -10.744 -3.161 -17.350 1.00 13.21 O ATOM 0 H GLY A 16 -12.666 -6.317 -15.260 1.00 22.52 H new ATOM 0 HA2 GLY A 16 -11.145 -4.693 -14.935 1.00 21.02 H new ATOM 0 HA3 GLY A 16 -10.149 -5.334 -16.226 1.00 21.02 H new ATOM 233 N SER A 17 -12.867 -3.781 -17.043 1.00 71.52 N ATOM 234 CA SER A 17 -13.411 -2.694 -17.807 1.00 63.21 C ATOM 235 C SER A 17 -13.398 -1.447 -16.914 1.00 53.24 C ATOM 236 O SER A 17 -13.146 -1.555 -15.718 1.00 4.54 O ATOM 237 CB SER A 17 -14.846 -3.044 -18.170 1.00 50.34 C ATOM 238 OG SER A 17 -14.919 -4.345 -18.729 1.00 12.01 O ATOM 0 H SER A 17 -13.566 -4.425 -16.673 1.00 71.52 H new ATOM 0 HA SER A 17 -12.835 -2.513 -18.714 1.00 63.21 H new ATOM 0 HB2 SER A 17 -15.475 -2.989 -17.281 1.00 50.34 H new ATOM 0 HB3 SER A 17 -15.235 -2.315 -18.881 1.00 50.34 H new ATOM 0 HG SER A 17 -15.850 -4.552 -18.954 1.00 12.01 H new ATOM 244 N GLU A 18 -13.666 -0.280 -17.464 1.00 52.24 N ATOM 245 CA GLU A 18 -13.724 0.913 -16.653 1.00 73.31 C ATOM 246 C GLU A 18 -14.861 0.791 -15.624 1.00 50.31 C ATOM 247 O GLU A 18 -14.733 1.191 -14.464 1.00 3.05 O ATOM 248 CB GLU A 18 -13.925 2.152 -17.527 1.00 44.04 C ATOM 249 CG GLU A 18 -14.038 3.422 -16.725 1.00 61.40 C ATOM 250 CD GLU A 18 -14.221 4.655 -17.557 1.00 1.45 C ATOM 251 OE1 GLU A 18 -15.304 4.844 -18.123 1.00 23.53 O ATOM 252 OE2 GLU A 18 -13.270 5.460 -17.656 1.00 3.43 O ATOM 0 H GLU A 18 -13.845 -0.135 -18.458 1.00 52.24 H new ATOM 0 HA GLU A 18 -12.777 1.022 -16.124 1.00 73.31 H new ATOM 0 HB2 GLU A 18 -13.090 2.240 -18.222 1.00 44.04 H new ATOM 0 HB3 GLU A 18 -14.826 2.025 -18.127 1.00 44.04 H new ATOM 0 HG2 GLU A 18 -14.879 3.332 -16.038 1.00 61.40 H new ATOM 0 HG3 GLU A 18 -13.141 3.536 -16.117 1.00 61.40 H new ATOM 259 N LEU A 19 -15.958 0.202 -16.069 1.00 41.23 N ATOM 260 CA LEU A 19 -17.123 0.003 -15.242 1.00 34.01 C ATOM 261 C LEU A 19 -16.971 -1.229 -14.350 1.00 3.13 C ATOM 262 O LEU A 19 -17.748 -1.435 -13.426 1.00 30.11 O ATOM 263 CB LEU A 19 -18.387 -0.121 -16.103 1.00 43.20 C ATOM 264 CG LEU A 19 -18.785 1.101 -16.955 1.00 31.21 C ATOM 265 CD1 LEU A 19 -18.911 2.359 -16.115 1.00 42.32 C ATOM 266 CD2 LEU A 19 -17.868 1.313 -18.158 1.00 21.14 C ATOM 0 H LEU A 19 -16.060 -0.151 -17.020 1.00 41.23 H new ATOM 0 HA LEU A 19 -17.220 0.877 -14.599 1.00 34.01 H new ATOM 0 HB2 LEU A 19 -18.257 -0.971 -16.773 1.00 43.20 H new ATOM 0 HB3 LEU A 19 -19.222 -0.359 -15.444 1.00 43.20 H new ATOM 0 HG LEU A 19 -19.772 0.878 -17.360 1.00 31.21 H new ATOM 0 HD11 LEU A 19 -19.193 3.196 -16.754 1.00 42.32 H new ATOM 0 HD12 LEU A 19 -19.675 2.212 -15.352 1.00 42.32 H new ATOM 0 HD13 LEU A 19 -17.956 2.574 -15.636 1.00 42.32 H new ATOM 0 HD21 LEU A 19 -18.199 2.187 -18.718 1.00 21.14 H new ATOM 0 HD22 LEU A 19 -16.846 1.469 -17.813 1.00 21.14 H new ATOM 0 HD23 LEU A 19 -17.904 0.434 -18.802 1.00 21.14 H new ATOM 278 N LYS A 20 -15.955 -2.027 -14.625 1.00 22.42 N ATOM 279 CA LYS A 20 -15.684 -3.252 -13.858 1.00 11.30 C ATOM 280 C LYS A 20 -14.204 -3.340 -13.611 1.00 43.34 C ATOM 281 O LYS A 20 -13.535 -4.212 -14.171 1.00 31.02 O ATOM 282 CB LYS A 20 -16.107 -4.500 -14.642 1.00 4.14 C ATOM 283 CG LYS A 20 -17.554 -4.517 -15.113 1.00 12.51 C ATOM 284 CD LYS A 20 -17.839 -5.778 -15.900 1.00 52.25 C ATOM 285 CE LYS A 20 -19.298 -5.900 -16.298 1.00 65.45 C ATOM 286 NZ LYS A 20 -20.187 -5.997 -15.118 1.00 65.11 N ATOM 0 H LYS A 20 -15.292 -1.855 -15.380 1.00 22.42 H new ATOM 0 HA LYS A 20 -16.247 -3.210 -12.926 1.00 11.30 H new ATOM 0 HB2 LYS A 20 -15.458 -4.598 -15.512 1.00 4.14 H new ATOM 0 HB3 LYS A 20 -15.936 -5.376 -14.017 1.00 4.14 H new ATOM 0 HG2 LYS A 20 -18.223 -4.458 -14.255 1.00 12.51 H new ATOM 0 HG3 LYS A 20 -17.752 -3.642 -15.732 1.00 12.51 H new ATOM 0 HD2 LYS A 20 -17.219 -5.790 -16.797 1.00 52.25 H new ATOM 0 HD3 LYS A 20 -17.555 -6.646 -15.304 1.00 52.25 H new ATOM 0 HE2 LYS A 20 -19.584 -5.036 -16.898 1.00 65.45 H new ATOM 0 HE3 LYS A 20 -19.430 -6.781 -16.926 1.00 65.45 H new ATOM 0 HZ1 LYS A 20 -21.131 -6.313 -15.419 1.00 65.11 H new ATOM 0 HZ2 LYS A 20 -19.792 -6.681 -14.441 1.00 65.11 H new ATOM 0 HZ3 LYS A 20 -20.263 -5.065 -14.663 1.00 65.11 H new ATOM 300 N PRO A 21 -13.655 -2.449 -12.802 1.00 3.35 N ATOM 301 CA PRO A 21 -12.239 -2.405 -12.591 1.00 42.34 C ATOM 302 C PRO A 21 -11.763 -3.579 -11.768 1.00 63.43 C ATOM 303 O PRO A 21 -12.526 -4.154 -10.964 1.00 12.24 O ATOM 304 CB PRO A 21 -12.010 -1.086 -11.868 1.00 23.13 C ATOM 305 CG PRO A 21 -13.305 -0.774 -11.197 1.00 45.02 C ATOM 306 CD PRO A 21 -14.376 -1.429 -12.007 1.00 73.23 C ATOM 0 HA PRO A 21 -11.680 -2.468 -13.524 1.00 42.34 H new ATOM 0 HB2 PRO A 21 -11.201 -1.171 -11.142 1.00 23.13 H new ATOM 0 HB3 PRO A 21 -11.729 -0.298 -12.567 1.00 23.13 H new ATOM 0 HG2 PRO A 21 -13.311 -1.148 -10.173 1.00 45.02 H new ATOM 0 HG3 PRO A 21 -13.464 0.303 -11.144 1.00 45.02 H new ATOM 0 HD2 PRO A 21 -15.135 -1.883 -11.371 1.00 73.23 H new ATOM 0 HD3 PRO A 21 -14.886 -0.711 -12.649 1.00 73.23 H new ATOM 314 N LEU A 22 -10.539 -3.955 -11.982 1.00 33.31 N ATOM 315 CA LEU A 22 -9.957 -5.046 -11.272 1.00 22.24 C ATOM 316 C LEU A 22 -9.449 -4.596 -9.959 1.00 14.54 C ATOM 317 O LEU A 22 -8.916 -3.529 -9.836 1.00 61.31 O ATOM 318 CB LEU A 22 -8.848 -5.687 -12.077 1.00 42.52 C ATOM 319 CG LEU A 22 -9.285 -6.328 -13.370 1.00 32.30 C ATOM 320 CD1 LEU A 22 -8.108 -6.850 -14.118 1.00 41.33 C ATOM 321 CD2 LEU A 22 -10.267 -7.439 -13.100 1.00 63.45 C ATOM 0 H LEU A 22 -9.916 -3.511 -12.657 1.00 33.31 H new ATOM 0 HA LEU A 22 -10.732 -5.795 -11.108 1.00 22.24 H new ATOM 0 HB2 LEU A 22 -8.098 -4.929 -12.301 1.00 42.52 H new ATOM 0 HB3 LEU A 22 -8.363 -6.443 -11.460 1.00 42.52 H new ATOM 0 HG LEU A 22 -9.775 -5.570 -13.981 1.00 32.30 H new ATOM 0 HD11 LEU A 22 -8.443 -7.309 -15.048 1.00 41.33 H new ATOM 0 HD12 LEU A 22 -7.427 -6.029 -14.343 1.00 41.33 H new ATOM 0 HD13 LEU A 22 -7.592 -7.594 -13.511 1.00 41.33 H new ATOM 0 HD21 LEU A 22 -10.573 -7.892 -14.043 1.00 63.45 H new ATOM 0 HD22 LEU A 22 -9.797 -8.195 -12.470 1.00 63.45 H new ATOM 0 HD23 LEU A 22 -11.142 -7.035 -12.591 1.00 63.45 H new ATOM 333 N ARG A 23 -9.628 -5.402 -8.991 1.00 52.32 N ATOM 334 CA ARG A 23 -9.198 -5.100 -7.658 1.00 23.42 C ATOM 335 C ARG A 23 -7.691 -5.356 -7.477 1.00 50.32 C ATOM 336 O ARG A 23 -7.081 -4.908 -6.500 1.00 0.04 O ATOM 337 CB ARG A 23 -10.066 -5.879 -6.678 1.00 31.23 C ATOM 338 CG ARG A 23 -9.630 -5.879 -5.251 1.00 1.34 C ATOM 339 CD ARG A 23 -10.538 -6.733 -4.402 1.00 24.54 C ATOM 340 NE ARG A 23 -11.939 -6.309 -4.477 1.00 30.24 N ATOM 341 CZ ARG A 23 -12.952 -6.909 -3.837 1.00 40.52 C ATOM 342 NH1 ARG A 23 -12.719 -7.934 -3.022 1.00 75.40 N ATOM 343 NH2 ARG A 23 -14.193 -6.475 -4.011 1.00 52.55 N ATOM 0 H ARG A 23 -10.083 -6.310 -9.087 1.00 52.32 H new ATOM 0 HA ARG A 23 -9.329 -4.037 -7.455 1.00 23.42 H new ATOM 0 HB2 ARG A 23 -11.078 -5.476 -6.725 1.00 31.23 H new ATOM 0 HB3 ARG A 23 -10.119 -6.913 -7.018 1.00 31.23 H new ATOM 0 HG2 ARG A 23 -8.607 -6.250 -5.181 1.00 1.34 H new ATOM 0 HG3 ARG A 23 -9.626 -4.858 -4.870 1.00 1.34 H new ATOM 0 HD2 ARG A 23 -10.459 -7.772 -4.722 1.00 24.54 H new ATOM 0 HD3 ARG A 23 -10.205 -6.693 -3.365 1.00 24.54 H new ATOM 0 HE ARG A 23 -12.159 -5.500 -5.058 1.00 30.24 H new ATOM 0 HH11 ARG A 23 -11.765 -8.267 -2.881 1.00 75.40 H new ATOM 0 HH12 ARG A 23 -13.494 -8.387 -2.538 1.00 75.40 H new ATOM 0 HH21 ARG A 23 -14.375 -5.686 -4.631 1.00 52.55 H new ATOM 0 HH22 ARG A 23 -14.965 -6.930 -3.525 1.00 52.55 H new ATOM 357 N THR A 24 -7.093 -6.050 -8.420 1.00 35.14 N ATOM 358 CA THR A 24 -5.678 -6.322 -8.368 1.00 51.31 C ATOM 359 C THR A 24 -5.020 -5.957 -9.694 1.00 52.24 C ATOM 360 O THR A 24 -5.636 -6.098 -10.765 1.00 51.02 O ATOM 361 CB THR A 24 -5.399 -7.818 -8.053 1.00 10.13 C ATOM 362 OG1 THR A 24 -6.063 -8.659 -9.014 1.00 53.42 O ATOM 363 CG2 THR A 24 -5.849 -8.188 -6.644 1.00 54.32 C ATOM 0 H THR A 24 -7.569 -6.437 -9.235 1.00 35.14 H new ATOM 0 HA THR A 24 -5.257 -5.714 -7.568 1.00 51.31 H new ATOM 0 HB THR A 24 -4.322 -7.974 -8.115 1.00 10.13 H new ATOM 0 HG1 THR A 24 -5.880 -9.599 -8.808 1.00 53.42 H new ATOM 0 HG21 THR A 24 -5.638 -9.241 -6.460 1.00 54.32 H new ATOM 0 HG22 THR A 24 -5.311 -7.578 -5.918 1.00 54.32 H new ATOM 0 HG23 THR A 24 -6.920 -8.010 -6.545 1.00 54.32 H new ATOM 371 N LEU A 25 -3.788 -5.480 -9.629 1.00 13.42 N ATOM 372 CA LEU A 25 -3.017 -5.178 -10.824 1.00 42.11 C ATOM 373 C LEU A 25 -2.529 -6.488 -11.426 1.00 45.14 C ATOM 374 O LEU A 25 -2.292 -6.602 -12.635 1.00 54.22 O ATOM 375 CB LEU A 25 -1.848 -4.253 -10.466 1.00 3.42 C ATOM 376 CG LEU A 25 -0.911 -3.826 -11.603 1.00 71.31 C ATOM 377 CD1 LEU A 25 -1.682 -3.170 -12.740 1.00 23.14 C ATOM 378 CD2 LEU A 25 0.133 -2.874 -11.058 1.00 11.12 C ATOM 0 H LEU A 25 -3.297 -5.292 -8.755 1.00 13.42 H new ATOM 0 HA LEU A 25 -3.633 -4.660 -11.559 1.00 42.11 H new ATOM 0 HB2 LEU A 25 -2.259 -3.351 -10.012 1.00 3.42 H new ATOM 0 HB3 LEU A 25 -1.248 -4.749 -9.703 1.00 3.42 H new ATOM 0 HG LEU A 25 -0.424 -4.714 -12.006 1.00 71.31 H new ATOM 0 HD11 LEU A 25 -0.989 -2.879 -13.529 1.00 23.14 H new ATOM 0 HD12 LEU A 25 -2.412 -3.875 -13.139 1.00 23.14 H new ATOM 0 HD13 LEU A 25 -2.198 -2.286 -12.367 1.00 23.14 H new ATOM 0 HD21 LEU A 25 0.801 -2.568 -11.863 1.00 11.12 H new ATOM 0 HD22 LEU A 25 -0.359 -1.995 -10.640 1.00 11.12 H new ATOM 0 HD23 LEU A 25 0.709 -3.373 -10.278 1.00 11.12 H new ATOM 390 N TYR A 26 -2.436 -7.487 -10.562 1.00 22.31 N ATOM 391 CA TYR A 26 -2.072 -8.827 -10.922 1.00 1.43 C ATOM 392 C TYR A 26 -3.018 -9.399 -11.976 1.00 75.20 C ATOM 393 O TYR A 26 -2.561 -9.912 -12.996 1.00 10.44 O ATOM 394 CB TYR A 26 -2.094 -9.691 -9.662 1.00 62.12 C ATOM 395 CG TYR A 26 -1.801 -11.129 -9.895 1.00 30.33 C ATOM 396 CD1 TYR A 26 -0.550 -11.523 -10.270 1.00 2.21 C ATOM 397 CD2 TYR A 26 -2.778 -12.097 -9.728 1.00 25.03 C ATOM 398 CE1 TYR A 26 -0.257 -12.829 -10.486 1.00 25.11 C ATOM 399 CE2 TYR A 26 -2.493 -13.423 -9.940 1.00 20.13 C ATOM 400 CZ TYR A 26 -1.229 -13.783 -10.325 1.00 52.34 C ATOM 401 OH TYR A 26 -0.935 -15.090 -10.558 1.00 64.00 O ATOM 0 H TYR A 26 -2.619 -7.373 -9.565 1.00 22.31 H new ATOM 0 HA TYR A 26 -1.072 -8.820 -11.356 1.00 1.43 H new ATOM 0 HB2 TYR A 26 -1.367 -9.295 -8.953 1.00 62.12 H new ATOM 0 HB3 TYR A 26 -3.075 -9.604 -9.194 1.00 62.12 H new ATOM 0 HD1 TYR A 26 0.223 -10.779 -10.397 1.00 2.21 H new ATOM 0 HD2 TYR A 26 -3.774 -11.805 -9.428 1.00 25.03 H new ATOM 0 HE1 TYR A 26 0.740 -13.118 -10.784 1.00 25.11 H new ATOM 0 HE2 TYR A 26 -3.257 -14.174 -9.805 1.00 20.13 H new ATOM 0 HH TYR A 26 -1.611 -15.477 -11.152 1.00 64.00 H new ATOM 411 N GLN A 27 -4.325 -9.285 -11.749 1.00 42.32 N ATOM 412 CA GLN A 27 -5.299 -9.822 -12.692 1.00 63.15 C ATOM 413 C GLN A 27 -5.180 -9.126 -14.045 1.00 2.22 C ATOM 414 O GLN A 27 -5.263 -9.769 -15.083 1.00 34.00 O ATOM 415 CB GLN A 27 -6.727 -9.708 -12.147 1.00 14.24 C ATOM 416 CG GLN A 27 -7.799 -10.268 -13.084 1.00 70.43 C ATOM 417 CD GLN A 27 -7.635 -11.753 -13.368 1.00 23.10 C ATOM 418 OE1 GLN A 27 -7.138 -12.516 -12.529 1.00 54.11 O ATOM 419 NE2 GLN A 27 -8.049 -12.170 -14.548 1.00 41.15 N ATOM 0 H GLN A 27 -4.729 -8.831 -10.930 1.00 42.32 H new ATOM 0 HA GLN A 27 -5.080 -10.881 -12.828 1.00 63.15 H new ATOM 0 HB2 GLN A 27 -6.783 -10.232 -11.193 1.00 14.24 H new ATOM 0 HB3 GLN A 27 -6.946 -8.659 -11.948 1.00 14.24 H new ATOM 0 HG2 GLN A 27 -8.781 -10.096 -12.645 1.00 70.43 H new ATOM 0 HG3 GLN A 27 -7.771 -9.720 -14.026 1.00 70.43 H new ATOM 0 HE21 GLN A 27 -8.453 -11.508 -15.210 1.00 41.15 H new ATOM 0 HE22 GLN A 27 -7.966 -13.155 -14.799 1.00 41.15 H new ATOM 428 N ALA A 28 -4.954 -7.818 -14.010 1.00 74.40 N ATOM 429 CA ALA A 28 -4.789 -7.015 -15.198 1.00 32.35 C ATOM 430 C ALA A 28 -3.645 -7.548 -16.039 1.00 44.21 C ATOM 431 O ALA A 28 -3.758 -7.701 -17.264 1.00 41.02 O ATOM 432 CB ALA A 28 -4.528 -5.570 -14.793 1.00 22.34 C ATOM 0 H ALA A 28 -4.881 -7.287 -13.142 1.00 74.40 H new ATOM 0 HA ALA A 28 -5.698 -7.061 -15.797 1.00 32.35 H new ATOM 0 HB1 ALA A 28 -4.403 -4.959 -15.687 1.00 22.34 H new ATOM 0 HB2 ALA A 28 -5.372 -5.196 -14.213 1.00 22.34 H new ATOM 0 HB3 ALA A 28 -3.622 -5.519 -14.189 1.00 22.34 H new ATOM 438 N MET A 29 -2.556 -7.851 -15.381 1.00 20.21 N ATOM 439 CA MET A 29 -1.408 -8.369 -16.027 1.00 72.12 C ATOM 440 C MET A 29 -1.613 -9.808 -16.499 1.00 63.13 C ATOM 441 O MET A 29 -1.028 -10.210 -17.488 1.00 54.41 O ATOM 442 CB MET A 29 -0.170 -8.174 -15.180 1.00 61.11 C ATOM 443 CG MET A 29 0.074 -6.699 -14.862 1.00 30.15 C ATOM 444 SD MET A 29 1.597 -6.381 -13.997 1.00 20.42 S ATOM 445 CE MET A 29 2.780 -6.665 -15.298 1.00 3.02 C ATOM 0 H MET A 29 -2.454 -7.739 -14.372 1.00 20.21 H new ATOM 0 HA MET A 29 -1.245 -7.794 -16.938 1.00 72.12 H new ATOM 0 HB2 MET A 29 -0.274 -8.734 -14.251 1.00 61.11 H new ATOM 0 HB3 MET A 29 0.696 -8.581 -15.702 1.00 61.11 H new ATOM 0 HG2 MET A 29 0.073 -6.133 -15.794 1.00 30.15 H new ATOM 0 HG3 MET A 29 -0.756 -6.326 -14.262 1.00 30.15 H new ATOM 0 HE1 MET A 29 3.785 -6.471 -14.924 1.00 3.02 H new ATOM 0 HE2 MET A 29 2.711 -7.700 -15.633 1.00 3.02 H new ATOM 0 HE3 MET A 29 2.569 -5.998 -16.134 1.00 3.02 H new ATOM 455 N ILE A 30 -2.435 -10.584 -15.776 1.00 32.44 N ATOM 456 CA ILE A 30 -2.798 -11.950 -16.220 1.00 5.43 C ATOM 457 C ILE A 30 -3.545 -11.881 -17.545 1.00 21.44 C ATOM 458 O ILE A 30 -3.144 -12.499 -18.531 1.00 35.14 O ATOM 459 CB ILE A 30 -3.743 -12.693 -15.219 1.00 73.03 C ATOM 460 CG1 ILE A 30 -3.104 -12.868 -13.851 1.00 72.23 C ATOM 461 CG2 ILE A 30 -4.166 -14.059 -15.780 1.00 54.32 C ATOM 462 CD1 ILE A 30 -3.998 -13.592 -12.867 1.00 62.11 C ATOM 0 H ILE A 30 -2.859 -10.300 -14.893 1.00 32.44 H new ATOM 0 HA ILE A 30 -1.857 -12.495 -16.297 1.00 5.43 H new ATOM 0 HB ILE A 30 -4.627 -12.068 -15.095 1.00 73.03 H new ATOM 0 HG12 ILE A 30 -2.171 -13.421 -13.960 1.00 72.23 H new ATOM 0 HG13 ILE A 30 -2.848 -11.888 -13.448 1.00 72.23 H new ATOM 0 HG21 ILE A 30 -4.823 -14.558 -15.067 1.00 54.32 H new ATOM 0 HG22 ILE A 30 -4.695 -13.917 -16.723 1.00 54.32 H new ATOM 0 HG23 ILE A 30 -3.281 -14.673 -15.949 1.00 54.32 H new ATOM 0 HD11 ILE A 30 -3.485 -13.685 -11.910 1.00 62.11 H new ATOM 0 HD12 ILE A 30 -4.921 -13.028 -12.731 1.00 62.11 H new ATOM 0 HD13 ILE A 30 -4.233 -14.585 -13.251 1.00 62.11 H new ATOM 474 N ILE A 31 -4.637 -11.113 -17.545 1.00 32.14 N ATOM 475 CA ILE A 31 -5.526 -10.980 -18.693 1.00 35.32 C ATOM 476 C ILE A 31 -4.767 -10.520 -19.934 1.00 13.51 C ATOM 477 O ILE A 31 -5.010 -10.994 -21.047 1.00 32.24 O ATOM 478 CB ILE A 31 -6.664 -9.973 -18.415 1.00 41.45 C ATOM 479 CG1 ILE A 31 -7.411 -10.352 -17.150 1.00 20.34 C ATOM 480 CG2 ILE A 31 -7.635 -9.980 -19.570 1.00 70.20 C ATOM 481 CD1 ILE A 31 -8.533 -9.411 -16.811 1.00 74.24 C ATOM 0 H ILE A 31 -4.929 -10.562 -16.738 1.00 32.14 H new ATOM 0 HA ILE A 31 -5.951 -11.968 -18.869 1.00 35.32 H new ATOM 0 HB ILE A 31 -6.227 -8.982 -18.293 1.00 41.45 H new ATOM 0 HG12 ILE A 31 -7.813 -11.359 -17.263 1.00 20.34 H new ATOM 0 HG13 ILE A 31 -6.708 -10.381 -16.317 1.00 20.34 H new ATOM 0 HG21 ILE A 31 -8.438 -9.270 -19.374 1.00 70.20 H new ATOM 0 HG22 ILE A 31 -7.114 -9.696 -20.485 1.00 70.20 H new ATOM 0 HG23 ILE A 31 -8.055 -10.979 -19.686 1.00 70.20 H new ATOM 0 HD11 ILE A 31 -9.022 -9.743 -15.895 1.00 74.24 H new ATOM 0 HD12 ILE A 31 -8.134 -8.407 -16.666 1.00 74.24 H new ATOM 0 HD13 ILE A 31 -9.257 -9.399 -17.626 1.00 74.24 H new ATOM 493 N THR A 32 -3.846 -9.620 -19.744 1.00 31.11 N ATOM 494 CA THR A 32 -3.097 -9.117 -20.835 1.00 72.13 C ATOM 495 C THR A 32 -1.974 -10.080 -21.193 1.00 44.11 C ATOM 496 O THR A 32 -1.757 -10.374 -22.371 1.00 0.04 O ATOM 497 CB THR A 32 -2.548 -7.717 -20.526 1.00 65.05 C ATOM 498 OG1 THR A 32 -1.797 -7.764 -19.306 1.00 60.01 O ATOM 499 CG2 THR A 32 -3.689 -6.716 -20.375 1.00 20.34 C ATOM 0 H THR A 32 -3.603 -9.224 -18.836 1.00 31.11 H new ATOM 0 HA THR A 32 -3.759 -9.028 -21.696 1.00 72.13 H new ATOM 0 HB THR A 32 -1.908 -7.400 -21.350 1.00 65.05 H new ATOM 0 HG1 THR A 32 -2.408 -7.696 -18.543 1.00 60.01 H new ATOM 0 HG21 THR A 32 -3.281 -5.729 -20.156 1.00 20.34 H new ATOM 0 HG22 THR A 32 -4.262 -6.675 -21.302 1.00 20.34 H new ATOM 0 HG23 THR A 32 -4.341 -7.028 -19.559 1.00 20.34 H new ATOM 507 N LYS A 33 -1.276 -10.592 -20.151 1.00 61.33 N ATOM 508 CA LYS A 33 -0.160 -11.513 -20.258 1.00 74.11 C ATOM 509 C LYS A 33 1.007 -10.854 -21.026 1.00 15.21 C ATOM 510 O LYS A 33 1.992 -11.492 -21.388 1.00 22.42 O ATOM 511 CB LYS A 33 -0.621 -12.820 -20.908 1.00 35.43 C ATOM 512 CG LYS A 33 0.401 -13.915 -20.837 1.00 30.40 C ATOM 513 CD LYS A 33 -0.069 -15.188 -21.523 1.00 51.32 C ATOM 514 CE LYS A 33 -1.307 -15.772 -20.856 1.00 35.34 C ATOM 515 NZ LYS A 33 -1.781 -16.988 -21.544 1.00 52.43 N ATOM 0 H LYS A 33 -1.497 -10.355 -19.184 1.00 61.33 H new ATOM 0 HA LYS A 33 0.210 -11.757 -19.262 1.00 74.11 H new ATOM 0 HB2 LYS A 33 -1.536 -13.156 -20.421 1.00 35.43 H new ATOM 0 HB3 LYS A 33 -0.867 -12.630 -21.953 1.00 35.43 H new ATOM 0 HG2 LYS A 33 1.327 -13.575 -21.301 1.00 30.40 H new ATOM 0 HG3 LYS A 33 0.628 -14.130 -19.793 1.00 30.40 H new ATOM 0 HD2 LYS A 33 -0.287 -14.976 -22.570 1.00 51.32 H new ATOM 0 HD3 LYS A 33 0.733 -15.926 -21.507 1.00 51.32 H new ATOM 0 HE2 LYS A 33 -1.082 -16.008 -19.816 1.00 35.34 H new ATOM 0 HE3 LYS A 33 -2.102 -15.026 -20.849 1.00 35.34 H new ATOM 0 HZ1 LYS A 33 -2.625 -17.354 -21.059 1.00 52.43 H new ATOM 0 HZ2 LYS A 33 -2.020 -16.758 -22.530 1.00 52.43 H new ATOM 0 HZ3 LYS A 33 -1.032 -17.710 -21.529 1.00 52.43 H new ATOM 529 N SER A 34 0.913 -9.554 -21.196 1.00 44.23 N ATOM 530 CA SER A 34 1.866 -8.844 -21.997 1.00 61.43 C ATOM 531 C SER A 34 3.003 -8.288 -21.152 1.00 53.53 C ATOM 532 O SER A 34 3.962 -7.776 -21.697 1.00 55.23 O ATOM 533 CB SER A 34 1.161 -7.713 -22.772 1.00 24.21 C ATOM 534 OG SER A 34 2.041 -7.065 -23.689 1.00 21.43 O ATOM 0 H SER A 34 0.182 -8.972 -20.786 1.00 44.23 H new ATOM 0 HA SER A 34 2.302 -9.546 -22.708 1.00 61.43 H new ATOM 0 HB2 SER A 34 0.309 -8.122 -23.315 1.00 24.21 H new ATOM 0 HB3 SER A 34 0.768 -6.980 -22.067 1.00 24.21 H new ATOM 0 HG SER A 34 2.962 -7.127 -23.359 1.00 21.43 H new ATOM 540 N SER A 35 2.881 -8.393 -19.809 1.00 32.31 N ATOM 541 CA SER A 35 3.887 -7.859 -18.829 1.00 45.23 C ATOM 542 C SER A 35 4.167 -6.351 -19.038 1.00 45.33 C ATOM 543 O SER A 35 5.117 -5.791 -18.483 1.00 13.22 O ATOM 544 CB SER A 35 5.208 -8.692 -18.842 1.00 41.14 C ATOM 545 OG SER A 35 5.832 -8.717 -20.122 1.00 31.15 O ATOM 0 H SER A 35 2.086 -8.849 -19.362 1.00 32.31 H new ATOM 0 HA SER A 35 3.443 -7.965 -17.839 1.00 45.23 H new ATOM 0 HB2 SER A 35 5.902 -8.275 -18.112 1.00 41.14 H new ATOM 0 HB3 SER A 35 4.991 -9.713 -18.528 1.00 41.14 H new ATOM 0 HG SER A 35 5.401 -8.061 -20.709 1.00 31.15 H new ATOM 551 N LYS A 36 3.286 -5.715 -19.785 1.00 24.53 N ATOM 552 CA LYS A 36 3.404 -4.376 -20.202 1.00 14.15 C ATOM 553 C LYS A 36 2.101 -4.044 -20.893 1.00 32.32 C ATOM 554 O LYS A 36 1.403 -4.944 -21.365 1.00 53.44 O ATOM 555 CB LYS A 36 4.565 -4.254 -21.205 1.00 54.33 C ATOM 556 CG LYS A 36 4.780 -2.864 -21.755 1.00 24.44 C ATOM 557 CD LYS A 36 5.882 -2.850 -22.789 1.00 5.32 C ATOM 558 CE LYS A 36 6.051 -1.471 -23.385 1.00 3.10 C ATOM 559 NZ LYS A 36 7.109 -1.434 -24.410 1.00 65.30 N ATOM 0 H LYS A 36 2.433 -6.162 -20.122 1.00 24.53 H new ATOM 0 HA LYS A 36 3.601 -3.705 -19.366 1.00 14.15 H new ATOM 0 HB2 LYS A 36 5.483 -4.584 -20.719 1.00 54.33 H new ATOM 0 HB3 LYS A 36 4.382 -4.935 -22.036 1.00 54.33 H new ATOM 0 HG2 LYS A 36 3.855 -2.499 -22.201 1.00 24.44 H new ATOM 0 HG3 LYS A 36 5.032 -2.183 -20.942 1.00 24.44 H new ATOM 0 HD2 LYS A 36 6.818 -3.169 -22.331 1.00 5.32 H new ATOM 0 HD3 LYS A 36 5.653 -3.565 -23.579 1.00 5.32 H new ATOM 0 HE2 LYS A 36 5.108 -1.150 -23.827 1.00 3.10 H new ATOM 0 HE3 LYS A 36 6.290 -0.761 -22.593 1.00 3.10 H new ATOM 0 HZ1 LYS A 36 7.190 -0.470 -24.791 1.00 65.30 H new ATOM 0 HZ2 LYS A 36 8.015 -1.715 -23.984 1.00 65.30 H new ATOM 0 HZ3 LYS A 36 6.870 -2.091 -25.180 1.00 65.30 H new ATOM 573 N GLY A 37 1.769 -2.816 -20.917 1.00 54.10 N ATOM 574 CA GLY A 37 0.581 -2.371 -21.568 1.00 20.33 C ATOM 575 C GLY A 37 -0.011 -1.225 -20.837 1.00 2.41 C ATOM 576 O GLY A 37 0.663 -0.625 -19.975 1.00 63.55 O ATOM 0 H GLY A 37 2.314 -2.071 -20.483 1.00 54.10 H new ATOM 0 HA2 GLY A 37 0.808 -2.078 -22.593 1.00 20.33 H new ATOM 0 HA3 GLY A 37 -0.139 -3.187 -21.622 1.00 20.33 H new ATOM 580 N ASP A 38 -1.232 -0.889 -21.138 1.00 30.33 N ATOM 581 CA ASP A 38 -1.864 0.181 -20.422 1.00 1.50 C ATOM 582 C ASP A 38 -2.627 -0.365 -19.261 1.00 23.10 C ATOM 583 O ASP A 38 -3.632 -1.063 -19.418 1.00 43.33 O ATOM 584 CB ASP A 38 -2.769 1.045 -21.304 1.00 44.11 C ATOM 585 CG ASP A 38 -2.020 1.802 -22.368 1.00 74.11 C ATOM 586 OD1 ASP A 38 -1.323 2.787 -22.039 1.00 33.42 O ATOM 587 OD2 ASP A 38 -2.140 1.448 -23.558 1.00 44.42 O ATOM 0 H ASP A 38 -1.801 -1.330 -21.860 1.00 30.33 H new ATOM 0 HA ASP A 38 -1.070 0.838 -20.065 1.00 1.50 H new ATOM 0 HB2 ASP A 38 -3.516 0.409 -21.779 1.00 44.11 H new ATOM 0 HB3 ASP A 38 -3.307 1.754 -20.675 1.00 44.11 H new ATOM 592 N PHE A 39 -2.154 -0.052 -18.106 1.00 62.14 N ATOM 593 CA PHE A 39 -2.761 -0.464 -16.888 1.00 22.10 C ATOM 594 C PHE A 39 -3.059 0.769 -16.106 1.00 63.23 C ATOM 595 O PHE A 39 -2.144 1.449 -15.637 1.00 73.12 O ATOM 596 CB PHE A 39 -1.836 -1.407 -16.102 1.00 44.11 C ATOM 597 CG PHE A 39 -1.476 -2.670 -16.847 1.00 20.23 C ATOM 598 CD1 PHE A 39 -2.432 -3.628 -17.090 1.00 44.21 C ATOM 599 CD2 PHE A 39 -0.182 -2.896 -17.301 1.00 13.14 C ATOM 600 CE1 PHE A 39 -2.118 -4.779 -17.766 1.00 43.33 C ATOM 601 CE2 PHE A 39 0.137 -4.050 -17.976 1.00 51.30 C ATOM 602 CZ PHE A 39 -0.831 -4.992 -18.212 1.00 33.01 C ATOM 0 H PHE A 39 -1.313 0.512 -17.978 1.00 62.14 H new ATOM 0 HA PHE A 39 -3.677 -1.021 -17.086 1.00 22.10 H new ATOM 0 HB2 PHE A 39 -0.920 -0.873 -15.847 1.00 44.11 H new ATOM 0 HB3 PHE A 39 -2.320 -1.676 -15.163 1.00 44.11 H new ATOM 0 HD1 PHE A 39 -3.443 -3.472 -16.744 1.00 44.21 H new ATOM 0 HD2 PHE A 39 0.583 -2.155 -17.121 1.00 13.14 H new ATOM 0 HE1 PHE A 39 -2.881 -5.521 -17.950 1.00 43.33 H new ATOM 0 HE2 PHE A 39 1.148 -4.214 -18.320 1.00 51.30 H new ATOM 0 HZ PHE A 39 -0.586 -5.898 -18.746 1.00 33.01 H new ATOM 612 N LEU A 40 -4.308 1.091 -15.998 1.00 64.32 N ATOM 613 CA LEU A 40 -4.694 2.317 -15.367 1.00 64.12 C ATOM 614 C LEU A 40 -5.369 2.032 -14.057 1.00 53.11 C ATOM 615 O LEU A 40 -6.365 1.322 -14.006 1.00 32.12 O ATOM 616 CB LEU A 40 -5.627 3.107 -16.269 1.00 72.13 C ATOM 617 CG LEU A 40 -5.116 3.454 -17.676 1.00 14.10 C ATOM 618 CD1 LEU A 40 -6.179 4.210 -18.454 1.00 14.22 C ATOM 619 CD2 LEU A 40 -3.836 4.271 -17.605 1.00 4.55 C ATOM 0 H LEU A 40 -5.082 0.521 -16.339 1.00 64.32 H new ATOM 0 HA LEU A 40 -3.798 2.910 -15.185 1.00 64.12 H new ATOM 0 HB2 LEU A 40 -6.553 2.542 -16.376 1.00 72.13 H new ATOM 0 HB3 LEU A 40 -5.879 4.038 -15.762 1.00 72.13 H new ATOM 0 HG LEU A 40 -4.896 2.521 -18.195 1.00 14.10 H new ATOM 0 HD11 LEU A 40 -5.802 4.448 -19.448 1.00 14.22 H new ATOM 0 HD12 LEU A 40 -7.073 3.592 -18.544 1.00 14.22 H new ATOM 0 HD13 LEU A 40 -6.427 5.133 -17.929 1.00 14.22 H new ATOM 0 HD21 LEU A 40 -3.496 4.503 -18.614 1.00 4.55 H new ATOM 0 HD22 LEU A 40 -4.026 5.198 -17.064 1.00 4.55 H new ATOM 0 HD23 LEU A 40 -3.067 3.699 -17.086 1.00 4.55 H new ATOM 631 N ILE A 41 -4.849 2.588 -13.010 1.00 34.43 N ATOM 632 CA ILE A 41 -5.369 2.344 -11.706 1.00 52.12 C ATOM 633 C ILE A 41 -6.090 3.575 -11.185 1.00 50.21 C ATOM 634 O ILE A 41 -5.601 4.696 -11.320 1.00 63.01 O ATOM 635 CB ILE A 41 -4.256 1.891 -10.726 1.00 74.45 C ATOM 636 CG1 ILE A 41 -3.504 0.683 -11.344 1.00 71.35 C ATOM 637 CG2 ILE A 41 -4.852 1.548 -9.360 1.00 5.32 C ATOM 638 CD1 ILE A 41 -2.601 -0.081 -10.413 1.00 11.52 C ATOM 0 H ILE A 41 -4.052 3.224 -13.036 1.00 34.43 H new ATOM 0 HA ILE A 41 -6.088 1.528 -11.777 1.00 52.12 H new ATOM 0 HB ILE A 41 -3.545 2.702 -10.569 1.00 74.45 H new ATOM 0 HG12 ILE A 41 -4.242 -0.009 -11.751 1.00 71.35 H new ATOM 0 HG13 ILE A 41 -2.907 1.043 -12.182 1.00 71.35 H new ATOM 0 HG21 ILE A 41 -4.057 1.232 -8.685 1.00 5.32 H new ATOM 0 HG22 ILE A 41 -5.349 2.427 -8.949 1.00 5.32 H new ATOM 0 HG23 ILE A 41 -5.576 0.740 -9.471 1.00 5.32 H new ATOM 0 HD11 ILE A 41 -2.130 -0.901 -10.955 1.00 11.52 H new ATOM 0 HD12 ILE A 41 -1.832 0.586 -10.024 1.00 11.52 H new ATOM 0 HD13 ILE A 41 -3.187 -0.482 -9.586 1.00 11.52 H new ATOM 650 N ARG A 42 -7.261 3.356 -10.621 1.00 12.24 N ATOM 651 CA ARG A 42 -8.101 4.416 -10.123 1.00 31.35 C ATOM 652 C ARG A 42 -7.460 5.041 -8.914 1.00 10.20 C ATOM 653 O ARG A 42 -7.046 4.348 -7.978 1.00 5.22 O ATOM 654 CB ARG A 42 -9.467 3.868 -9.739 1.00 3.23 C ATOM 655 CG ARG A 42 -10.574 4.911 -9.555 1.00 33.33 C ATOM 656 CD ARG A 42 -10.920 5.602 -10.879 1.00 43.02 C ATOM 657 NE ARG A 42 -12.326 6.011 -10.948 1.00 23.21 N ATOM 658 CZ ARG A 42 -12.915 6.592 -12.013 1.00 41.42 C ATOM 659 NH1 ARG A 42 -12.207 6.885 -13.103 1.00 22.14 N ATOM 660 NH2 ARG A 42 -14.206 6.877 -11.977 1.00 13.44 N ATOM 0 H ARG A 42 -7.657 2.424 -10.496 1.00 12.24 H new ATOM 0 HA ARG A 42 -8.223 5.165 -10.905 1.00 31.35 H new ATOM 0 HB2 ARG A 42 -9.783 3.161 -10.506 1.00 3.23 H new ATOM 0 HB3 ARG A 42 -9.365 3.306 -8.811 1.00 3.23 H new ATOM 0 HG2 ARG A 42 -11.465 4.430 -9.151 1.00 33.33 H new ATOM 0 HG3 ARG A 42 -10.256 5.657 -8.826 1.00 33.33 H new ATOM 0 HD2 ARG A 42 -10.284 6.478 -11.005 1.00 43.02 H new ATOM 0 HD3 ARG A 42 -10.700 4.927 -11.706 1.00 43.02 H new ATOM 0 HE ARG A 42 -12.905 5.843 -10.125 1.00 23.21 H new ATOM 0 HH11 ARG A 42 -11.211 6.670 -13.137 1.00 22.14 H new ATOM 0 HH12 ARG A 42 -12.661 7.324 -13.903 1.00 22.14 H new ATOM 0 HH21 ARG A 42 -14.754 6.657 -11.145 1.00 13.44 H new ATOM 0 HH22 ARG A 42 -14.654 7.316 -12.781 1.00 13.44 H new ATOM 674 N THR A 43 -7.366 6.305 -8.947 1.00 51.11 N ATOM 675 CA THR A 43 -6.802 7.064 -7.899 1.00 20.50 C ATOM 676 C THR A 43 -7.719 8.238 -7.655 1.00 35.21 C ATOM 677 O THR A 43 -8.436 8.657 -8.573 1.00 30.40 O ATOM 678 CB THR A 43 -5.366 7.547 -8.293 1.00 34.51 C ATOM 679 OG1 THR A 43 -4.724 8.218 -7.213 1.00 74.44 O ATOM 680 CG2 THR A 43 -5.391 8.473 -9.494 1.00 12.33 C ATOM 0 H THR A 43 -7.691 6.869 -9.733 1.00 51.11 H new ATOM 0 HA THR A 43 -6.704 6.467 -6.992 1.00 20.50 H new ATOM 0 HB THR A 43 -4.804 6.648 -8.547 1.00 34.51 H new ATOM 0 HG1 THR A 43 -3.829 8.505 -7.492 1.00 74.44 H new ATOM 0 HG21 THR A 43 -4.375 8.785 -9.734 1.00 12.33 H new ATOM 0 HG22 THR A 43 -5.821 7.950 -10.348 1.00 12.33 H new ATOM 0 HG23 THR A 43 -5.995 9.351 -9.264 1.00 12.33 H new ATOM 688 N LYS A 44 -7.747 8.745 -6.470 1.00 62.33 N ATOM 689 CA LYS A 44 -8.554 9.880 -6.214 1.00 74.12 C ATOM 690 C LYS A 44 -7.665 11.059 -6.004 1.00 50.13 C ATOM 691 O LYS A 44 -6.941 11.168 -5.009 1.00 31.51 O ATOM 692 CB LYS A 44 -9.506 9.642 -5.058 1.00 24.42 C ATOM 693 CG LYS A 44 -10.421 10.807 -4.735 1.00 64.13 C ATOM 694 CD LYS A 44 -11.430 10.416 -3.675 1.00 44.41 C ATOM 695 CE LYS A 44 -12.257 11.599 -3.224 1.00 74.00 C ATOM 696 NZ LYS A 44 -11.437 12.609 -2.525 1.00 72.35 N ATOM 0 H LYS A 44 -7.223 8.392 -5.670 1.00 62.33 H new ATOM 0 HA LYS A 44 -9.194 10.080 -7.073 1.00 74.12 H new ATOM 0 HB2 LYS A 44 -10.119 8.769 -5.285 1.00 24.42 H new ATOM 0 HB3 LYS A 44 -8.923 9.400 -4.170 1.00 24.42 H new ATOM 0 HG2 LYS A 44 -9.830 11.654 -4.387 1.00 64.13 H new ATOM 0 HG3 LYS A 44 -10.940 11.129 -5.637 1.00 64.13 H new ATOM 0 HD2 LYS A 44 -12.088 9.641 -4.068 1.00 44.41 H new ATOM 0 HD3 LYS A 44 -10.910 9.988 -2.818 1.00 44.41 H new ATOM 0 HE2 LYS A 44 -12.738 12.057 -4.089 1.00 74.00 H new ATOM 0 HE3 LYS A 44 -13.052 11.255 -2.562 1.00 74.00 H new ATOM 0 HZ1 LYS A 44 -12.049 13.379 -2.187 1.00 72.35 H new ATOM 0 HZ2 LYS A 44 -10.958 12.167 -1.715 1.00 72.35 H new ATOM 0 HZ3 LYS A 44 -10.726 12.993 -3.180 1.00 72.35 H new ATOM 710 N LYS A 45 -7.718 11.914 -6.956 1.00 23.35 N ATOM 711 CA LYS A 45 -6.855 13.044 -7.056 1.00 35.44 C ATOM 712 C LYS A 45 -7.714 14.242 -7.381 1.00 63.43 C ATOM 713 O LYS A 45 -8.634 14.122 -8.193 1.00 3.43 O ATOM 714 CB LYS A 45 -5.864 12.778 -8.193 1.00 62.12 C ATOM 715 CG LYS A 45 -4.732 13.759 -8.330 1.00 43.53 C ATOM 716 CD LYS A 45 -3.783 13.290 -9.422 1.00 74.14 C ATOM 717 CE LYS A 45 -3.077 11.975 -9.069 1.00 71.12 C ATOM 718 NZ LYS A 45 -2.134 11.555 -10.133 1.00 23.34 N ATOM 0 H LYS A 45 -8.389 11.848 -7.721 1.00 23.35 H new ATOM 0 HA LYS A 45 -6.306 13.224 -6.132 1.00 35.44 H new ATOM 0 HB2 LYS A 45 -5.440 11.783 -8.053 1.00 62.12 H new ATOM 0 HB3 LYS A 45 -6.417 12.759 -9.132 1.00 62.12 H new ATOM 0 HG2 LYS A 45 -5.121 14.748 -8.572 1.00 43.53 H new ATOM 0 HG3 LYS A 45 -4.198 13.849 -7.384 1.00 43.53 H new ATOM 0 HD2 LYS A 45 -4.340 13.161 -10.350 1.00 74.14 H new ATOM 0 HD3 LYS A 45 -3.035 14.062 -9.604 1.00 74.14 H new ATOM 0 HE2 LYS A 45 -2.537 12.093 -8.130 1.00 71.12 H new ATOM 0 HE3 LYS A 45 -3.821 11.193 -8.913 1.00 71.12 H new ATOM 0 HZ1 LYS A 45 -2.041 10.519 -10.126 1.00 23.34 H new ATOM 0 HZ2 LYS A 45 -2.495 11.864 -11.058 1.00 23.34 H new ATOM 0 HZ3 LYS A 45 -1.204 11.987 -9.963 1.00 23.34 H new ATOM 732 N ASP A 46 -7.459 15.366 -6.720 1.00 43.12 N ATOM 733 CA ASP A 46 -8.211 16.624 -6.961 1.00 64.24 C ATOM 734 C ASP A 46 -9.713 16.402 -6.652 1.00 54.34 C ATOM 735 O ASP A 46 -10.606 17.067 -7.187 1.00 61.33 O ATOM 736 CB ASP A 46 -7.974 17.065 -8.446 1.00 3.14 C ATOM 737 CG ASP A 46 -8.651 18.361 -8.854 1.00 73.22 C ATOM 738 OD1 ASP A 46 -8.279 19.425 -8.337 1.00 62.50 O ATOM 739 OD2 ASP A 46 -9.559 18.335 -9.722 1.00 32.31 O ATOM 0 H ASP A 46 -6.735 15.446 -6.006 1.00 43.12 H new ATOM 0 HA ASP A 46 -7.861 17.420 -6.303 1.00 64.24 H new ATOM 0 HB2 ASP A 46 -6.901 17.167 -8.610 1.00 3.14 H new ATOM 0 HB3 ASP A 46 -8.323 16.269 -9.104 1.00 3.14 H new ATOM 744 N GLY A 47 -9.963 15.500 -5.703 1.00 64.15 N ATOM 745 CA GLY A 47 -11.311 15.177 -5.288 1.00 14.44 C ATOM 746 C GLY A 47 -12.057 14.314 -6.287 1.00 34.03 C ATOM 747 O GLY A 47 -13.236 14.030 -6.106 1.00 23.32 O ATOM 0 H GLY A 47 -9.237 14.981 -5.209 1.00 64.15 H new ATOM 0 HA2 GLY A 47 -11.274 14.661 -4.329 1.00 14.44 H new ATOM 0 HA3 GLY A 47 -11.867 16.102 -5.131 1.00 14.44 H new ATOM 751 N LYS A 48 -11.377 13.877 -7.321 1.00 60.33 N ATOM 752 CA LYS A 48 -12.002 13.110 -8.379 1.00 22.33 C ATOM 753 C LYS A 48 -11.302 11.776 -8.532 1.00 33.20 C ATOM 754 O LYS A 48 -10.106 11.667 -8.285 1.00 24.23 O ATOM 755 CB LYS A 48 -11.908 13.898 -9.685 1.00 4.52 C ATOM 756 CG LYS A 48 -12.515 15.285 -9.587 1.00 25.53 C ATOM 757 CD LYS A 48 -12.291 16.097 -10.841 1.00 51.41 C ATOM 758 CE LYS A 48 -12.832 17.508 -10.674 1.00 2.22 C ATOM 759 NZ LYS A 48 -12.184 18.215 -9.538 1.00 14.14 N ATOM 0 H LYS A 48 -10.379 14.041 -7.455 1.00 60.33 H new ATOM 0 HA LYS A 48 -13.048 12.930 -8.132 1.00 22.33 H new ATOM 0 HB2 LYS A 48 -10.861 13.986 -9.975 1.00 4.52 H new ATOM 0 HB3 LYS A 48 -12.412 13.342 -10.475 1.00 4.52 H new ATOM 0 HG2 LYS A 48 -13.585 15.199 -9.399 1.00 25.53 H new ATOM 0 HG3 LYS A 48 -12.083 15.809 -8.735 1.00 25.53 H new ATOM 0 HD2 LYS A 48 -11.226 16.136 -11.069 1.00 51.41 H new ATOM 0 HD3 LYS A 48 -12.781 15.612 -11.686 1.00 51.41 H new ATOM 0 HE2 LYS A 48 -12.670 18.071 -11.593 1.00 2.22 H new ATOM 0 HE3 LYS A 48 -13.909 17.468 -10.511 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 -12.219 19.241 -9.702 1.00 14.14 H new ATOM 0 HZ2 LYS A 48 -12.686 17.988 -8.656 1.00 14.14 H new ATOM 0 HZ3 LYS A 48 -11.193 17.911 -9.460 1.00 14.14 H new ATOM 773 N GLN A 49 -12.037 10.766 -8.901 1.00 64.30 N ATOM 774 CA GLN A 49 -11.476 9.493 -9.121 1.00 12.54 C ATOM 775 C GLN A 49 -11.075 9.422 -10.571 1.00 72.52 C ATOM 776 O GLN A 49 -11.906 9.591 -11.462 1.00 35.21 O ATOM 777 CB GLN A 49 -12.458 8.345 -8.767 1.00 73.54 C ATOM 778 CG GLN A 49 -12.939 8.267 -7.298 1.00 41.30 C ATOM 779 CD GLN A 49 -14.044 9.261 -6.894 1.00 5.22 C ATOM 780 OE1 GLN A 49 -14.173 10.363 -7.421 1.00 45.33 O ATOM 781 NE2 GLN A 49 -14.845 8.869 -5.950 1.00 72.12 N ATOM 0 H GLN A 49 -13.044 10.818 -9.054 1.00 64.30 H new ATOM 0 HA GLN A 49 -10.613 9.361 -8.468 1.00 12.54 H new ATOM 0 HB2 GLN A 49 -13.335 8.439 -9.407 1.00 73.54 H new ATOM 0 HB3 GLN A 49 -11.979 7.399 -9.019 1.00 73.54 H new ATOM 0 HG2 GLN A 49 -13.300 7.256 -7.108 1.00 41.30 H new ATOM 0 HG3 GLN A 49 -12.080 8.426 -6.647 1.00 41.30 H new ATOM 0 HE21 GLN A 49 -14.721 7.950 -5.525 1.00 72.12 H new ATOM 0 HE22 GLN A 49 -15.598 9.480 -5.634 1.00 72.12 H new ATOM 790 N VAL A 50 -9.825 9.197 -10.806 1.00 13.31 N ATOM 791 CA VAL A 50 -9.280 9.198 -12.142 1.00 42.44 C ATOM 792 C VAL A 50 -8.427 7.970 -12.353 1.00 52.22 C ATOM 793 O VAL A 50 -8.175 7.219 -11.415 1.00 61.15 O ATOM 794 CB VAL A 50 -8.435 10.483 -12.428 1.00 14.32 C ATOM 795 CG1 VAL A 50 -9.308 11.730 -12.410 1.00 53.31 C ATOM 796 CG2 VAL A 50 -7.320 10.627 -11.405 1.00 0.31 C ATOM 0 H VAL A 50 -9.139 9.005 -10.076 1.00 13.31 H new ATOM 0 HA VAL A 50 -10.119 9.189 -12.838 1.00 42.44 H new ATOM 0 HB VAL A 50 -8.000 10.377 -13.422 1.00 14.32 H new ATOM 0 HG11 VAL A 50 -8.693 12.607 -12.612 1.00 53.31 H new ATOM 0 HG12 VAL A 50 -10.080 11.644 -13.174 1.00 53.31 H new ATOM 0 HG13 VAL A 50 -9.776 11.832 -11.431 1.00 53.31 H new ATOM 0 HG21 VAL A 50 -6.743 11.526 -11.620 1.00 0.31 H new ATOM 0 HG22 VAL A 50 -7.750 10.702 -10.406 1.00 0.31 H new ATOM 0 HG23 VAL A 50 -6.666 9.756 -11.454 1.00 0.31 H new ATOM 806 N TRP A 51 -8.007 7.759 -13.562 1.00 75.44 N ATOM 807 CA TRP A 51 -7.177 6.634 -13.900 1.00 2.10 C ATOM 808 C TRP A 51 -5.716 7.070 -14.028 1.00 21.31 C ATOM 809 O TRP A 51 -5.397 7.962 -14.815 1.00 33.40 O ATOM 810 CB TRP A 51 -7.662 6.013 -15.209 1.00 11.54 C ATOM 811 CG TRP A 51 -9.043 5.473 -15.161 1.00 55.52 C ATOM 812 CD1 TRP A 51 -10.087 5.923 -15.867 1.00 72.02 C ATOM 813 CD2 TRP A 51 -9.530 4.388 -14.360 1.00 62.43 C ATOM 814 NE1 TRP A 51 -11.210 5.202 -15.576 1.00 72.43 N ATOM 815 CE2 TRP A 51 -10.896 4.248 -14.647 1.00 64.15 C ATOM 816 CE3 TRP A 51 -8.946 3.523 -13.436 1.00 1.13 C ATOM 817 CZ2 TRP A 51 -11.695 3.282 -14.039 1.00 63.40 C ATOM 818 CZ3 TRP A 51 -9.740 2.563 -12.836 1.00 41.10 C ATOM 819 CH2 TRP A 51 -11.098 2.453 -13.139 1.00 42.12 C ATOM 0 H TRP A 51 -8.230 8.365 -14.352 1.00 75.44 H new ATOM 0 HA TRP A 51 -7.245 5.890 -13.106 1.00 2.10 H new ATOM 0 HB2 TRP A 51 -7.607 6.766 -15.995 1.00 11.54 H new ATOM 0 HB3 TRP A 51 -6.981 5.209 -15.489 1.00 11.54 H new ATOM 0 HD1 TRP A 51 -10.047 6.742 -16.569 1.00 72.02 H new ATOM 0 HE1 TRP A 51 -12.133 5.351 -15.985 1.00 72.43 H new ATOM 0 HE3 TRP A 51 -7.896 3.601 -13.194 1.00 1.13 H new ATOM 0 HZ2 TRP A 51 -12.746 3.194 -14.272 1.00 63.40 H new ATOM 0 HZ3 TRP A 51 -9.301 1.885 -12.119 1.00 41.10 H new ATOM 0 HH2 TRP A 51 -11.688 1.693 -12.649 1.00 42.12 H new ATOM 830 N GLU A 52 -4.851 6.458 -13.265 1.00 11.22 N ATOM 831 CA GLU A 52 -3.439 6.775 -13.303 1.00 11.11 C ATOM 832 C GLU A 52 -2.678 5.558 -13.803 1.00 4.12 C ATOM 833 O GLU A 52 -2.966 4.439 -13.397 1.00 24.35 O ATOM 834 CB GLU A 52 -2.951 7.162 -11.903 1.00 13.42 C ATOM 835 CG GLU A 52 -1.499 7.605 -11.841 1.00 72.10 C ATOM 836 CD GLU A 52 -1.064 7.943 -10.440 1.00 5.43 C ATOM 837 OE1 GLU A 52 -1.360 9.046 -9.964 1.00 24.33 O ATOM 838 OE2 GLU A 52 -0.422 7.093 -9.780 1.00 63.04 O ATOM 0 H GLU A 52 -5.099 5.726 -12.599 1.00 11.22 H new ATOM 0 HA GLU A 52 -3.268 7.617 -13.974 1.00 11.11 H new ATOM 0 HB2 GLU A 52 -3.580 7.967 -11.523 1.00 13.42 H new ATOM 0 HB3 GLU A 52 -3.086 6.310 -11.237 1.00 13.42 H new ATOM 0 HG2 GLU A 52 -0.863 6.813 -12.235 1.00 72.10 H new ATOM 0 HG3 GLU A 52 -1.359 8.475 -12.482 1.00 72.10 H new ATOM 845 N ALA A 53 -1.733 5.775 -14.681 1.00 53.14 N ATOM 846 CA ALA A 53 -0.963 4.694 -15.262 1.00 72.43 C ATOM 847 C ALA A 53 -0.073 4.029 -14.224 1.00 44.34 C ATOM 848 O ALA A 53 0.576 4.709 -13.407 1.00 33.10 O ATOM 849 CB ALA A 53 -0.129 5.204 -16.430 1.00 22.32 C ATOM 0 H ALA A 53 -1.472 6.702 -15.016 1.00 53.14 H new ATOM 0 HA ALA A 53 -1.663 3.945 -15.631 1.00 72.43 H new ATOM 0 HB1 ALA A 53 0.444 4.380 -16.855 1.00 22.32 H new ATOM 0 HB2 ALA A 53 -0.787 5.620 -17.193 1.00 22.32 H new ATOM 0 HB3 ALA A 53 0.554 5.977 -16.079 1.00 22.32 H new ATOM 855 N ALA A 54 -0.069 2.712 -14.231 1.00 33.03 N ATOM 856 CA ALA A 54 0.777 1.937 -13.359 1.00 41.34 C ATOM 857 C ALA A 54 2.233 2.067 -13.792 1.00 23.13 C ATOM 858 O ALA A 54 2.524 2.395 -14.949 1.00 14.42 O ATOM 859 CB ALA A 54 0.344 0.481 -13.349 1.00 62.45 C ATOM 0 H ALA A 54 -0.657 2.150 -14.846 1.00 33.03 H new ATOM 0 HA ALA A 54 0.682 2.323 -12.344 1.00 41.34 H new ATOM 0 HB1 ALA A 54 0.995 -0.088 -12.685 1.00 62.45 H new ATOM 0 HB2 ALA A 54 -0.685 0.410 -12.997 1.00 62.45 H new ATOM 0 HB3 ALA A 54 0.411 0.075 -14.358 1.00 62.45 H new ATOM 865 N SER A 55 3.127 1.793 -12.898 1.00 34.44 N ATOM 866 CA SER A 55 4.520 1.971 -13.149 1.00 11.05 C ATOM 867 C SER A 55 5.160 0.604 -13.262 1.00 24.51 C ATOM 868 O SER A 55 4.651 -0.352 -12.670 1.00 41.35 O ATOM 869 CB SER A 55 5.125 2.764 -11.991 1.00 74.31 C ATOM 870 OG SER A 55 4.381 3.968 -11.768 1.00 42.12 O ATOM 0 H SER A 55 2.910 1.437 -11.967 1.00 34.44 H new ATOM 0 HA SER A 55 4.690 2.520 -14.075 1.00 11.05 H new ATOM 0 HB2 SER A 55 5.125 2.156 -11.086 1.00 74.31 H new ATOM 0 HB3 SER A 55 6.164 3.007 -12.212 1.00 74.31 H new ATOM 0 HG SER A 55 4.779 4.465 -11.023 1.00 42.12 H new ATOM 876 N LYS A 56 6.262 0.502 -14.003 1.00 34.41 N ATOM 877 CA LYS A 56 6.942 -0.771 -14.224 1.00 50.42 C ATOM 878 C LYS A 56 7.314 -1.455 -12.912 1.00 1.53 C ATOM 879 O LYS A 56 7.287 -2.664 -12.815 1.00 24.20 O ATOM 880 CB LYS A 56 8.172 -0.596 -15.101 1.00 63.42 C ATOM 881 CG LYS A 56 8.836 -1.920 -15.433 1.00 70.03 C ATOM 882 CD LYS A 56 10.008 -1.761 -16.356 1.00 15.34 C ATOM 883 CE LYS A 56 9.595 -1.199 -17.708 1.00 13.33 C ATOM 884 NZ LYS A 56 10.729 -1.144 -18.645 1.00 4.33 N ATOM 0 H LYS A 56 6.706 1.296 -14.465 1.00 34.41 H new ATOM 0 HA LYS A 56 6.237 -1.418 -14.746 1.00 50.42 H new ATOM 0 HB2 LYS A 56 7.888 -0.093 -16.025 1.00 63.42 H new ATOM 0 HB3 LYS A 56 8.888 0.050 -14.594 1.00 63.42 H new ATOM 0 HG2 LYS A 56 9.166 -2.398 -14.511 1.00 70.03 H new ATOM 0 HG3 LYS A 56 8.104 -2.585 -15.892 1.00 70.03 H new ATOM 0 HD2 LYS A 56 10.744 -1.100 -15.898 1.00 15.34 H new ATOM 0 HD3 LYS A 56 10.492 -2.727 -16.497 1.00 15.34 H new ATOM 0 HE2 LYS A 56 8.803 -1.816 -18.132 1.00 13.33 H new ATOM 0 HE3 LYS A 56 9.184 -0.198 -17.576 1.00 13.33 H new ATOM 0 HZ1 LYS A 56 10.409 -0.756 -19.555 1.00 4.33 H new ATOM 0 HZ2 LYS A 56 11.475 -0.535 -18.252 1.00 4.33 H new ATOM 0 HZ3 LYS A 56 11.106 -2.102 -18.791 1.00 4.33 H new ATOM 898 N THR A 57 7.632 -0.674 -11.909 1.00 34.31 N ATOM 899 CA THR A 57 7.943 -1.196 -10.597 1.00 12.14 C ATOM 900 C THR A 57 6.724 -1.894 -9.947 1.00 70.11 C ATOM 901 O THR A 57 6.845 -2.979 -9.367 1.00 31.34 O ATOM 902 CB THR A 57 8.488 -0.081 -9.696 1.00 60.31 C ATOM 903 OG1 THR A 57 7.661 1.098 -9.839 1.00 15.23 O ATOM 904 CG2 THR A 57 9.922 0.250 -10.065 1.00 24.40 C ATOM 0 H THR A 57 7.683 0.342 -11.977 1.00 34.31 H new ATOM 0 HA THR A 57 8.715 -1.956 -10.716 1.00 12.14 H new ATOM 0 HB THR A 57 8.468 -0.422 -8.661 1.00 60.31 H new ATOM 0 HG1 THR A 57 8.006 1.812 -9.263 1.00 15.23 H new ATOM 0 HG21 THR A 57 10.291 1.043 -9.415 1.00 24.40 H new ATOM 0 HG22 THR A 57 10.543 -0.637 -9.943 1.00 24.40 H new ATOM 0 HG23 THR A 57 9.963 0.582 -11.102 1.00 24.40 H new ATOM 912 N ALA A 58 5.557 -1.281 -10.072 1.00 1.33 N ATOM 913 CA ALA A 58 4.325 -1.852 -9.529 1.00 11.22 C ATOM 914 C ALA A 58 3.873 -3.020 -10.394 1.00 42.23 C ATOM 915 O ALA A 58 3.324 -4.012 -9.904 1.00 23.54 O ATOM 916 CB ALA A 58 3.236 -0.792 -9.438 1.00 34.31 C ATOM 0 H ALA A 58 5.433 -0.386 -10.545 1.00 1.33 H new ATOM 0 HA ALA A 58 4.520 -2.218 -8.521 1.00 11.22 H new ATOM 0 HB1 ALA A 58 2.328 -1.237 -9.032 1.00 34.31 H new ATOM 0 HB2 ALA A 58 3.568 0.015 -8.785 1.00 34.31 H new ATOM 0 HB3 ALA A 58 3.032 -0.394 -10.432 1.00 34.31 H new ATOM 922 N LEU A 59 4.118 -2.893 -11.678 1.00 3.42 N ATOM 923 CA LEU A 59 3.822 -3.927 -12.631 1.00 64.20 C ATOM 924 C LEU A 59 4.710 -5.147 -12.386 1.00 44.21 C ATOM 925 O LEU A 59 4.243 -6.274 -12.412 1.00 12.44 O ATOM 926 CB LEU A 59 3.998 -3.387 -14.056 1.00 31.14 C ATOM 927 CG LEU A 59 3.011 -2.315 -14.508 1.00 11.52 C ATOM 928 CD1 LEU A 59 3.376 -1.815 -15.895 1.00 62.23 C ATOM 929 CD2 LEU A 59 1.610 -2.873 -14.518 1.00 22.22 C ATOM 0 H LEU A 59 4.533 -2.058 -12.090 1.00 3.42 H new ATOM 0 HA LEU A 59 2.785 -4.241 -12.510 1.00 64.20 H new ATOM 0 HB2 LEU A 59 5.006 -2.981 -14.144 1.00 31.14 H new ATOM 0 HB3 LEU A 59 3.931 -4.226 -14.749 1.00 31.14 H new ATOM 0 HG LEU A 59 3.058 -1.481 -13.808 1.00 11.52 H new ATOM 0 HD11 LEU A 59 2.664 -1.051 -16.205 1.00 62.23 H new ATOM 0 HD12 LEU A 59 4.379 -1.390 -15.876 1.00 62.23 H new ATOM 0 HD13 LEU A 59 3.347 -2.645 -16.600 1.00 62.23 H new ATOM 0 HD21 LEU A 59 0.913 -2.100 -14.842 1.00 22.22 H new ATOM 0 HD22 LEU A 59 1.560 -3.718 -15.205 1.00 22.22 H new ATOM 0 HD23 LEU A 59 1.343 -3.205 -13.515 1.00 22.22 H new ATOM 941 N LYS A 60 5.980 -4.909 -12.104 1.00 72.23 N ATOM 942 CA LYS A 60 6.915 -5.987 -11.821 1.00 51.24 C ATOM 943 C LYS A 60 6.478 -6.745 -10.570 1.00 13.44 C ATOM 944 O LYS A 60 6.627 -7.949 -10.491 1.00 32.34 O ATOM 945 CB LYS A 60 8.348 -5.449 -11.663 1.00 40.03 C ATOM 946 CG LYS A 60 9.396 -6.506 -11.459 1.00 42.13 C ATOM 947 CD LYS A 60 9.475 -7.417 -12.663 1.00 63.12 C ATOM 948 CE LYS A 60 10.517 -8.474 -12.466 1.00 44.44 C ATOM 949 NZ LYS A 60 11.875 -7.906 -12.309 1.00 4.03 N ATOM 0 H LYS A 60 6.389 -3.975 -12.065 1.00 72.23 H new ATOM 0 HA LYS A 60 6.912 -6.676 -12.665 1.00 51.24 H new ATOM 0 HB2 LYS A 60 8.604 -4.869 -12.550 1.00 40.03 H new ATOM 0 HB3 LYS A 60 8.373 -4.763 -10.816 1.00 40.03 H new ATOM 0 HG2 LYS A 60 10.365 -6.037 -11.287 1.00 42.13 H new ATOM 0 HG3 LYS A 60 9.162 -7.090 -10.569 1.00 42.13 H new ATOM 0 HD2 LYS A 60 8.505 -7.884 -12.835 1.00 63.12 H new ATOM 0 HD3 LYS A 60 9.709 -6.832 -13.552 1.00 63.12 H new ATOM 0 HE2 LYS A 60 10.269 -9.065 -11.584 1.00 44.44 H new ATOM 0 HE3 LYS A 60 10.507 -9.154 -13.318 1.00 44.44 H new ATOM 0 HZ1 LYS A 60 12.582 -8.659 -12.430 1.00 4.03 H new ATOM 0 HZ2 LYS A 60 12.028 -7.169 -13.026 1.00 4.03 H new ATOM 0 HZ3 LYS A 60 11.970 -7.491 -11.360 1.00 4.03 H new ATOM 963 N LYS A 61 5.904 -6.020 -9.621 1.00 61.23 N ATOM 964 CA LYS A 61 5.378 -6.590 -8.398 1.00 2.23 C ATOM 965 C LYS A 61 4.236 -7.565 -8.712 1.00 42.42 C ATOM 966 O LYS A 61 4.144 -8.652 -8.125 1.00 63.41 O ATOM 967 CB LYS A 61 4.957 -5.413 -7.442 1.00 33.42 C ATOM 968 CG LYS A 61 4.142 -5.747 -6.172 1.00 10.45 C ATOM 969 CD LYS A 61 2.684 -6.083 -6.499 1.00 35.23 C ATOM 970 CE LYS A 61 1.847 -6.374 -5.256 1.00 11.12 C ATOM 971 NZ LYS A 61 1.728 -5.200 -4.360 1.00 71.30 N ATOM 0 H LYS A 61 5.791 -5.008 -9.683 1.00 61.23 H new ATOM 0 HA LYS A 61 6.135 -7.181 -7.882 1.00 2.23 H new ATOM 0 HB2 LYS A 61 5.866 -4.901 -7.127 1.00 33.42 H new ATOM 0 HB3 LYS A 61 4.378 -4.701 -8.029 1.00 33.42 H new ATOM 0 HG2 LYS A 61 4.602 -6.591 -5.657 1.00 10.45 H new ATOM 0 HG3 LYS A 61 4.174 -4.900 -5.487 1.00 10.45 H new ATOM 0 HD2 LYS A 61 2.238 -5.251 -7.044 1.00 35.23 H new ATOM 0 HD3 LYS A 61 2.656 -6.949 -7.160 1.00 35.23 H new ATOM 0 HE2 LYS A 61 0.851 -6.696 -5.561 1.00 11.12 H new ATOM 0 HE3 LYS A 61 2.295 -7.202 -4.706 1.00 11.12 H new ATOM 0 HZ1 LYS A 61 1.043 -5.407 -3.605 1.00 71.30 H new ATOM 0 HZ2 LYS A 61 2.655 -4.990 -3.938 1.00 71.30 H new ATOM 0 HZ3 LYS A 61 1.402 -4.378 -4.907 1.00 71.30 H new ATOM 985 N SER A 62 3.413 -7.193 -9.655 1.00 22.34 N ATOM 986 CA SER A 62 2.269 -7.974 -10.023 1.00 64.32 C ATOM 987 C SER A 62 2.701 -9.158 -10.906 1.00 11.20 C ATOM 988 O SER A 62 2.220 -10.283 -10.745 1.00 30.43 O ATOM 989 CB SER A 62 1.289 -7.059 -10.733 1.00 0.52 C ATOM 990 OG SER A 62 0.986 -5.946 -9.901 1.00 34.12 O ATOM 0 H SER A 62 3.521 -6.332 -10.192 1.00 22.34 H new ATOM 0 HA SER A 62 1.784 -8.398 -9.144 1.00 64.32 H new ATOM 0 HB2 SER A 62 1.714 -6.716 -11.676 1.00 0.52 H new ATOM 0 HB3 SER A 62 0.377 -7.604 -10.975 1.00 0.52 H new ATOM 0 HG SER A 62 1.729 -5.307 -9.926 1.00 34.12 H new ATOM 996 N TRP A 63 3.652 -8.907 -11.791 1.00 11.32 N ATOM 997 CA TRP A 63 4.174 -9.921 -12.679 1.00 72.25 C ATOM 998 C TRP A 63 5.015 -10.945 -11.897 1.00 3.03 C ATOM 999 O TRP A 63 5.065 -12.111 -12.246 1.00 55.41 O ATOM 1000 CB TRP A 63 4.984 -9.250 -13.799 1.00 13.52 C ATOM 1001 CG TRP A 63 5.596 -10.193 -14.779 1.00 22.34 C ATOM 1002 CD1 TRP A 63 6.894 -10.588 -14.807 1.00 32.14 C ATOM 1003 CD2 TRP A 63 4.944 -10.871 -15.865 1.00 43.10 C ATOM 1004 NE1 TRP A 63 7.100 -11.456 -15.844 1.00 63.21 N ATOM 1005 CE2 TRP A 63 5.922 -11.652 -16.507 1.00 21.24 C ATOM 1006 CE3 TRP A 63 3.630 -10.893 -16.362 1.00 14.40 C ATOM 1007 CZ2 TRP A 63 5.637 -12.446 -17.614 1.00 5.52 C ATOM 1008 CZ3 TRP A 63 3.353 -11.690 -17.465 1.00 32.04 C ATOM 1009 CH2 TRP A 63 4.353 -12.455 -18.074 1.00 22.31 C ATOM 0 H TRP A 63 4.082 -7.990 -11.910 1.00 11.32 H new ATOM 0 HA TRP A 63 3.349 -10.468 -13.135 1.00 72.25 H new ATOM 0 HB2 TRP A 63 4.332 -8.561 -14.337 1.00 13.52 H new ATOM 0 HB3 TRP A 63 5.776 -8.653 -13.348 1.00 13.52 H new ATOM 0 HD1 TRP A 63 7.654 -10.264 -14.111 1.00 32.14 H new ATOM 0 HE1 TRP A 63 7.992 -11.888 -16.084 1.00 63.21 H new ATOM 0 HE3 TRP A 63 2.853 -10.304 -15.897 1.00 14.40 H new ATOM 0 HZ2 TRP A 63 6.406 -13.035 -18.092 1.00 5.52 H new ATOM 0 HZ3 TRP A 63 2.348 -11.720 -17.859 1.00 32.04 H new ATOM 0 HH2 TRP A 63 4.103 -13.067 -18.928 1.00 22.31 H new ATOM 1020 N LYS A 64 5.635 -10.500 -10.820 1.00 30.10 N ATOM 1021 CA LYS A 64 6.441 -11.368 -9.970 1.00 60.53 C ATOM 1022 C LYS A 64 5.571 -12.461 -9.333 1.00 64.04 C ATOM 1023 O LYS A 64 6.023 -13.593 -9.101 1.00 32.14 O ATOM 1024 CB LYS A 64 7.126 -10.524 -8.903 1.00 31.43 C ATOM 1025 CG LYS A 64 8.041 -11.285 -7.971 1.00 32.42 C ATOM 1026 CD LYS A 64 8.748 -10.340 -7.020 1.00 12.50 C ATOM 1027 CE LYS A 64 7.769 -9.560 -6.149 1.00 35.20 C ATOM 1028 NZ LYS A 64 8.467 -8.642 -5.225 1.00 54.01 N ATOM 0 H LYS A 64 5.597 -9.530 -10.507 1.00 30.10 H new ATOM 0 HA LYS A 64 7.201 -11.864 -10.574 1.00 60.53 H new ATOM 0 HB2 LYS A 64 7.704 -9.743 -9.396 1.00 31.43 H new ATOM 0 HB3 LYS A 64 6.360 -10.027 -8.308 1.00 31.43 H new ATOM 0 HG2 LYS A 64 7.464 -12.015 -7.403 1.00 32.42 H new ATOM 0 HG3 LYS A 64 8.777 -11.842 -8.551 1.00 32.42 H new ATOM 0 HD2 LYS A 64 9.425 -10.908 -6.383 1.00 12.50 H new ATOM 0 HD3 LYS A 64 9.359 -9.642 -7.592 1.00 12.50 H new ATOM 0 HE2 LYS A 64 7.092 -8.990 -6.785 1.00 35.20 H new ATOM 0 HE3 LYS A 64 7.158 -10.257 -5.576 1.00 35.20 H new ATOM 0 HZ1 LYS A 64 7.768 -8.130 -4.650 1.00 54.01 H new ATOM 0 HZ2 LYS A 64 9.095 -9.188 -4.601 1.00 54.01 H new ATOM 0 HZ3 LYS A 64 9.031 -7.961 -5.772 1.00 54.01 H new ATOM 1042 N ARG A 65 4.322 -12.120 -9.069 1.00 15.42 N ATOM 1043 CA ARG A 65 3.372 -13.068 -8.521 1.00 35.25 C ATOM 1044 C ARG A 65 2.989 -14.063 -9.611 1.00 74.32 C ATOM 1045 O ARG A 65 2.861 -15.250 -9.368 1.00 23.20 O ATOM 1046 CB ARG A 65 2.129 -12.327 -8.035 1.00 5.45 C ATOM 1047 CG ARG A 65 1.102 -13.192 -7.319 1.00 33.12 C ATOM 1048 CD ARG A 65 -0.059 -12.350 -6.820 1.00 53.25 C ATOM 1049 NE ARG A 65 -1.110 -13.159 -6.212 1.00 23.05 N ATOM 1050 CZ ARG A 65 -2.244 -12.685 -5.683 1.00 63.04 C ATOM 1051 NH1 ARG A 65 -2.481 -11.369 -5.644 1.00 61.22 N ATOM 1052 NH2 ARG A 65 -3.142 -13.526 -5.189 1.00 51.31 N ATOM 0 H ARG A 65 3.942 -11.187 -9.227 1.00 15.42 H new ATOM 0 HA ARG A 65 3.818 -13.597 -7.679 1.00 35.25 H new ATOM 0 HB2 ARG A 65 2.441 -11.528 -7.362 1.00 5.45 H new ATOM 0 HB3 ARG A 65 1.649 -11.853 -8.891 1.00 5.45 H new ATOM 0 HG2 ARG A 65 0.734 -13.963 -7.996 1.00 33.12 H new ATOM 0 HG3 ARG A 65 1.573 -13.704 -6.480 1.00 33.12 H new ATOM 0 HD2 ARG A 65 0.307 -11.627 -6.091 1.00 53.25 H new ATOM 0 HD3 ARG A 65 -0.476 -11.782 -7.651 1.00 53.25 H new ATOM 0 HE ARG A 65 -0.969 -14.169 -6.188 1.00 23.05 H new ATOM 0 HH11 ARG A 65 -1.794 -10.716 -6.020 1.00 61.22 H new ATOM 0 HH12 ARG A 65 -3.349 -11.019 -5.238 1.00 61.22 H new ATOM 0 HH21 ARG A 65 -2.967 -14.531 -5.213 1.00 51.31 H new ATOM 0 HH22 ARG A 65 -4.008 -13.168 -4.785 1.00 51.31 H new ATOM 1066 N TYR A 66 2.855 -13.543 -10.821 1.00 11.41 N ATOM 1067 CA TYR A 66 2.477 -14.308 -12.000 1.00 25.23 C ATOM 1068 C TYR A 66 3.527 -15.409 -12.248 1.00 23.33 C ATOM 1069 O TYR A 66 3.184 -16.567 -12.539 1.00 2.24 O ATOM 1070 CB TYR A 66 2.404 -13.327 -13.176 1.00 31.24 C ATOM 1071 CG TYR A 66 1.768 -13.852 -14.424 1.00 21.21 C ATOM 1072 CD1 TYR A 66 0.396 -13.908 -14.531 1.00 75.45 C ATOM 1073 CD2 TYR A 66 2.525 -14.258 -15.499 1.00 2.11 C ATOM 1074 CE1 TYR A 66 -0.212 -14.365 -15.674 1.00 23.34 C ATOM 1075 CE2 TYR A 66 1.932 -14.716 -16.652 1.00 63.32 C ATOM 1076 CZ TYR A 66 0.560 -14.768 -16.736 1.00 3.32 C ATOM 1077 OH TYR A 66 -0.038 -15.234 -17.883 1.00 23.24 O ATOM 0 H TYR A 66 3.010 -12.554 -11.016 1.00 11.41 H new ATOM 0 HA TYR A 66 1.511 -14.796 -11.873 1.00 25.23 H new ATOM 0 HB2 TYR A 66 1.853 -12.444 -12.854 1.00 31.24 H new ATOM 0 HB3 TYR A 66 3.416 -13.001 -13.416 1.00 31.24 H new ATOM 0 HD1 TYR A 66 -0.213 -13.586 -13.700 1.00 75.45 H new ATOM 0 HD2 TYR A 66 3.602 -14.216 -15.436 1.00 2.11 H new ATOM 0 HE1 TYR A 66 -1.289 -14.407 -15.738 1.00 23.34 H new ATOM 0 HE2 TYR A 66 2.540 -15.033 -17.487 1.00 63.32 H new ATOM 0 HH TYR A 66 -0.910 -14.802 -17.996 1.00 23.24 H new ATOM 1087 N GLU A 67 4.798 -15.026 -12.099 1.00 54.40 N ATOM 1088 CA GLU A 67 5.953 -15.941 -12.193 1.00 33.12 C ATOM 1089 C GLU A 67 5.805 -17.038 -11.197 1.00 33.14 C ATOM 1090 O GLU A 67 5.863 -18.202 -11.540 1.00 45.11 O ATOM 1091 CB GLU A 67 7.215 -15.181 -11.832 1.00 11.55 C ATOM 1092 CG GLU A 67 7.494 -14.005 -12.699 1.00 12.32 C ATOM 1093 CD GLU A 67 7.874 -14.398 -14.095 1.00 3.24 C ATOM 1094 OE1 GLU A 67 7.002 -14.624 -14.923 1.00 3.25 O ATOM 1095 OE2 GLU A 67 9.099 -14.501 -14.371 1.00 35.40 O ATOM 0 H GLU A 67 5.064 -14.060 -11.907 1.00 54.40 H new ATOM 0 HA GLU A 67 6.005 -16.342 -13.205 1.00 33.12 H new ATOM 0 HB2 GLU A 67 7.139 -14.845 -10.798 1.00 11.55 H new ATOM 0 HB3 GLU A 67 8.063 -15.864 -11.883 1.00 11.55 H new ATOM 0 HG2 GLU A 67 6.612 -13.365 -12.732 1.00 12.32 H new ATOM 0 HG3 GLU A 67 8.299 -13.416 -12.259 1.00 12.32 H new ATOM 1102 N GLN A 68 5.559 -16.646 -9.969 1.00 34.43 N ATOM 1103 CA GLN A 68 5.430 -17.522 -8.871 1.00 65.20 C ATOM 1104 C GLN A 68 4.307 -18.544 -9.085 1.00 71.43 C ATOM 1105 O GLN A 68 4.452 -19.718 -8.744 1.00 35.20 O ATOM 1106 CB GLN A 68 5.169 -16.661 -7.660 1.00 55.05 C ATOM 1107 CG GLN A 68 4.795 -17.391 -6.433 1.00 1.41 C ATOM 1108 CD GLN A 68 5.877 -18.319 -5.897 1.00 55.42 C ATOM 1109 OE1 GLN A 68 6.700 -17.921 -5.075 1.00 54.43 O ATOM 1110 NE2 GLN A 68 5.880 -19.553 -6.341 1.00 54.31 N ATOM 0 H GLN A 68 5.442 -15.665 -9.717 1.00 34.43 H new ATOM 0 HA GLN A 68 6.339 -18.109 -8.742 1.00 65.20 H new ATOM 0 HB2 GLN A 68 6.063 -16.073 -7.454 1.00 55.05 H new ATOM 0 HB3 GLN A 68 4.372 -15.957 -7.901 1.00 55.05 H new ATOM 0 HG2 GLN A 68 4.538 -16.668 -5.659 1.00 1.41 H new ATOM 0 HG3 GLN A 68 3.898 -17.977 -6.633 1.00 1.41 H new ATOM 0 HE21 GLN A 68 5.183 -19.851 -7.023 1.00 54.31 H new ATOM 0 HE22 GLN A 68 6.579 -20.215 -6.004 1.00 54.31 H new ATOM 1119 N GLU A 69 3.220 -18.106 -9.661 1.00 14.10 N ATOM 1120 CA GLU A 69 2.093 -18.972 -9.890 1.00 42.55 C ATOM 1121 C GLU A 69 2.360 -19.967 -11.020 1.00 51.11 C ATOM 1122 O GLU A 69 1.882 -21.097 -10.989 1.00 5.32 O ATOM 1123 CB GLU A 69 0.841 -18.160 -10.130 1.00 34.03 C ATOM 1124 CG GLU A 69 0.494 -17.249 -8.961 1.00 4.11 C ATOM 1125 CD GLU A 69 0.214 -17.996 -7.685 1.00 4.11 C ATOM 1126 OE1 GLU A 69 1.151 -18.301 -6.931 1.00 54.03 O ATOM 1127 OE2 GLU A 69 -0.975 -18.294 -7.417 1.00 15.43 O ATOM 0 H GLU A 69 3.090 -17.147 -9.983 1.00 14.10 H new ATOM 0 HA GLU A 69 1.936 -19.567 -8.990 1.00 42.55 H new ATOM 0 HB2 GLU A 69 0.972 -17.557 -11.028 1.00 34.03 H new ATOM 0 HB3 GLU A 69 0.006 -18.835 -10.318 1.00 34.03 H new ATOM 0 HG2 GLU A 69 1.318 -16.555 -8.794 1.00 4.11 H new ATOM 0 HG3 GLU A 69 -0.379 -16.651 -9.222 1.00 4.11 H new