USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 968 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 21:sc= 0.179 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 0:sc= -0.276 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.65) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.889 K(o=0.89,f=-4.3!) USER MOD Single : A 33 LYS NZ :NH3+ -124:sc= 0.655 (180deg=-0.00602) USER MOD Single : A 35 SER OG : rot 120:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 149:sc= -0.485 (180deg=-1.77!) USER MOD Single : A 44 ASN : amide:sc= -0.0122 K(o=-0.012,f=-0.75) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 HIS : no HD1:sc= -4.11! C(o=-4.1!,f=-3.9!) USER MOD Single : A 54 LYS NZ :NH3+ -153:sc= 0.173 (180deg=-1.21!) USER MOD Single : A 55 ASN : amide:sc= -0.0954 K(o=-0.095,f=-1.9!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.13) USER MOD Single : A 59 MET CE :methyl 133:sc= -4.92! (180deg=-8.92!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.015 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.189 USER MOD Single : A 63 LYS NZ :NH3+ 173:sc=-0.00439 (180deg=-0.0257) USER MOD Single : A 64 MET CE :methyl -132:sc= -0.819 (180deg=-4.99!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot -51:sc= -1.18 USER MOD Single : A 72 TYR OH : rot -38:sc= 0.0335 USER MOD Single : A 73 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.261) USER MOD Single : A 75 ASN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.516 X(o=-0.52,f=-0.92) USER MOD Single : A 90 MET CE :methyl -173:sc= 0 (180deg=-0.0577) USER MOD Single : A 91 LYS NZ :NH3+ -153:sc= -0.168 (180deg=-0.8) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -155:sc= -0.0257 (180deg=-0.853) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.544 K(o=-0.54,f=-2.2) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -120:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.441 24.702 16.577 1.00 0.00 N ATOM 2 CA GLY A 1 -21.235 24.820 15.145 1.00 0.00 C ATOM 3 C GLY A 1 -19.826 25.257 14.796 1.00 0.00 C ATOM 4 O GLY A 1 -19.446 26.402 15.040 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.419 24.401 16.763 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.782 23.998 16.966 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.270 25.623 17.029 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.442 23.861 14.671 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.946 25.538 14.737 1.00 0.00 H new ATOM 8 N SER A 2 -19.049 24.343 14.226 1.00 0.00 N ATOM 9 CA SER A 2 -17.671 24.638 13.848 1.00 0.00 C ATOM 10 C SER A 2 -16.849 25.043 15.068 1.00 0.00 C ATOM 11 O SER A 2 -16.049 25.977 15.008 1.00 0.00 O ATOM 12 CB SER A 2 -17.635 25.753 12.801 1.00 0.00 C ATOM 13 OG SER A 2 -16.438 25.703 12.044 1.00 0.00 O ATOM 0 H SER A 2 -19.349 23.391 14.015 1.00 0.00 H new ATOM 0 HA SER A 2 -17.235 23.735 13.421 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.494 25.660 12.136 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.717 26.722 13.294 1.00 0.00 H new ATOM 0 HG SER A 2 -16.440 26.425 11.381 1.00 0.00 H new ATOM 19 N SER A 3 -17.051 24.333 16.173 1.00 0.00 N ATOM 20 CA SER A 3 -16.332 24.619 17.408 1.00 0.00 C ATOM 21 C SER A 3 -16.048 23.335 18.182 1.00 0.00 C ATOM 22 O SER A 3 -16.872 22.423 18.217 1.00 0.00 O ATOM 23 CB SER A 3 -17.137 25.586 18.280 1.00 0.00 C ATOM 24 OG SER A 3 -17.488 26.753 17.556 1.00 0.00 O ATOM 0 H SER A 3 -17.707 23.555 16.238 1.00 0.00 H new ATOM 0 HA SER A 3 -15.381 25.083 17.146 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.040 25.092 18.639 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.553 25.861 19.158 1.00 0.00 H new ATOM 0 HG SER A 3 -18.003 27.354 18.134 1.00 0.00 H new ATOM 30 N GLY A 4 -14.873 23.273 18.802 1.00 0.00 N ATOM 31 CA GLY A 4 -14.500 22.098 19.567 1.00 0.00 C ATOM 32 C GLY A 4 -14.271 20.883 18.689 1.00 0.00 C ATOM 33 O GLY A 4 -13.688 20.990 17.610 1.00 0.00 O ATOM 0 H GLY A 4 -14.174 24.015 18.788 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.593 22.310 20.133 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.283 21.876 20.292 1.00 0.00 H new ATOM 37 N SER A 5 -14.728 19.725 19.153 1.00 0.00 N ATOM 38 CA SER A 5 -14.565 18.484 18.405 1.00 0.00 C ATOM 39 C SER A 5 -15.076 18.640 16.976 1.00 0.00 C ATOM 40 O SER A 5 -16.205 19.077 16.753 1.00 0.00 O ATOM 41 CB SER A 5 -15.307 17.342 19.102 1.00 0.00 C ATOM 42 OG SER A 5 -16.710 17.481 18.957 1.00 0.00 O ATOM 0 H SER A 5 -15.214 19.620 20.043 1.00 0.00 H new ATOM 0 HA SER A 5 -13.502 18.248 18.369 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.988 16.388 18.683 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.047 17.328 20.161 1.00 0.00 H new ATOM 0 HG SER A 5 -16.904 18.064 18.194 1.00 0.00 H new ATOM 48 N SER A 6 -14.236 18.279 16.011 1.00 0.00 N ATOM 49 CA SER A 6 -14.600 18.382 14.603 1.00 0.00 C ATOM 50 C SER A 6 -13.765 17.427 13.755 1.00 0.00 C ATOM 51 O SER A 6 -12.607 17.153 14.067 1.00 0.00 O ATOM 52 CB SER A 6 -14.412 19.817 14.109 1.00 0.00 C ATOM 53 OG SER A 6 -13.038 20.159 14.046 1.00 0.00 O ATOM 0 H SER A 6 -13.299 17.913 16.179 1.00 0.00 H new ATOM 0 HA SER A 6 -15.650 18.106 14.504 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.863 19.927 13.123 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.931 20.505 14.776 1.00 0.00 H new ATOM 0 HG SER A 6 -12.945 21.080 13.726 1.00 0.00 H new ATOM 59 N GLY A 7 -14.363 16.923 12.680 1.00 0.00 N ATOM 60 CA GLY A 7 -13.661 16.004 11.803 1.00 0.00 C ATOM 61 C GLY A 7 -14.280 14.620 11.797 1.00 0.00 C ATOM 62 O GLY A 7 -14.405 13.985 12.845 1.00 0.00 O ATOM 0 H GLY A 7 -15.321 17.135 12.401 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.661 16.403 10.789 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.620 15.931 12.117 1.00 0.00 H new ATOM 66 N CYS A 8 -14.669 14.153 10.616 1.00 0.00 N ATOM 67 CA CYS A 8 -15.281 12.836 10.480 1.00 0.00 C ATOM 68 C CYS A 8 -14.375 11.753 11.056 1.00 0.00 C ATOM 69 O CYS A 8 -14.706 11.123 12.061 1.00 0.00 O ATOM 70 CB CYS A 8 -15.579 12.540 9.009 1.00 0.00 C ATOM 71 SG CYS A 8 -16.995 13.448 8.345 1.00 0.00 S ATOM 0 H CYS A 8 -14.572 14.666 9.740 1.00 0.00 H new ATOM 0 HA CYS A 8 -16.216 12.837 11.040 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -14.697 12.780 8.415 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -15.760 11.471 8.894 1.00 0.00 H new ATOM 0 HG CYS A 8 -17.166 13.133 7.095 1.00 0.00 H new ATOM 77 N ARG A 9 -13.233 11.540 10.412 1.00 0.00 N ATOM 78 CA ARG A 9 -12.280 10.530 10.859 1.00 0.00 C ATOM 79 C ARG A 9 -10.879 10.837 10.340 1.00 0.00 C ATOM 80 O ARG A 9 -10.668 10.975 9.134 1.00 0.00 O ATOM 81 CB ARG A 9 -12.718 9.142 10.388 1.00 0.00 C ATOM 82 CG ARG A 9 -13.721 8.473 11.314 1.00 0.00 C ATOM 83 CD ARG A 9 -13.899 7.002 10.972 1.00 0.00 C ATOM 84 NE ARG A 9 -15.137 6.458 11.524 1.00 0.00 N ATOM 85 CZ ARG A 9 -15.287 6.119 12.799 1.00 0.00 C ATOM 86 NH1 ARG A 9 -14.281 6.267 13.650 1.00 0.00 N ATOM 87 NH2 ARG A 9 -16.445 5.631 13.226 1.00 0.00 N ATOM 0 H ARG A 9 -12.944 12.053 9.579 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.256 10.546 11.949 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.155 9.226 9.393 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.839 8.504 10.297 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.385 8.570 12.347 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.681 8.983 11.242 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.900 6.879 9.889 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.051 6.435 11.356 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.930 6.332 10.895 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.390 6.642 13.326 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.399 6.006 14.629 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.221 5.516 12.574 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.559 5.371 14.206 1.00 0.00 H new ATOM 101 N LEU A 10 -9.924 10.944 11.257 1.00 0.00 N ATOM 102 CA LEU A 10 -8.542 11.235 10.892 1.00 0.00 C ATOM 103 C LEU A 10 -8.046 10.269 9.822 1.00 0.00 C ATOM 104 O LEU A 10 -8.794 9.413 9.348 1.00 0.00 O ATOM 105 CB LEU A 10 -7.640 11.155 12.125 1.00 0.00 C ATOM 106 CG LEU A 10 -7.504 12.441 12.942 1.00 0.00 C ATOM 107 CD1 LEU A 10 -7.184 12.120 14.393 1.00 0.00 C ATOM 108 CD2 LEU A 10 -6.433 13.341 12.344 1.00 0.00 C ATOM 0 H LEU A 10 -10.081 10.834 12.259 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.505 12.246 10.487 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.022 10.371 12.779 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.646 10.846 11.803 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.456 12.972 12.910 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.091 13.047 14.959 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.985 11.515 14.817 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.246 11.567 14.445 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.350 14.251 12.938 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.476 12.818 12.345 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.705 13.599 11.320 1.00 0.00 H new ATOM 120 N LEU A 11 -6.779 10.409 9.446 1.00 0.00 N ATOM 121 CA LEU A 11 -6.182 9.546 8.433 1.00 0.00 C ATOM 122 C LEU A 11 -5.624 8.273 9.062 1.00 0.00 C ATOM 123 O LEU A 11 -6.104 7.173 8.790 1.00 0.00 O ATOM 124 CB LEU A 11 -5.070 10.291 7.692 1.00 0.00 C ATOM 125 CG LEU A 11 -3.994 9.420 7.044 1.00 0.00 C ATOM 126 CD1 LEU A 11 -4.569 8.645 5.869 1.00 0.00 C ATOM 127 CD2 LEU A 11 -2.814 10.272 6.598 1.00 0.00 C ATOM 0 H LEU A 11 -6.146 11.112 9.828 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.961 9.268 7.723 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.527 10.906 6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.585 10.970 8.393 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.639 8.704 7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.788 8.031 5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.379 8.004 6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.953 9.343 5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.058 9.635 6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.153 11.012 5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.385 10.780 7.462 1.00 0.00 H new ATOM 139 N TRP A 12 -4.610 8.432 9.905 1.00 0.00 N ATOM 140 CA TRP A 12 -3.988 7.295 10.574 1.00 0.00 C ATOM 141 C TRP A 12 -5.017 6.210 10.873 1.00 0.00 C ATOM 142 O TRP A 12 -4.771 5.027 10.637 1.00 0.00 O ATOM 143 CB TRP A 12 -3.314 7.746 11.871 1.00 0.00 C ATOM 144 CG TRP A 12 -4.247 7.782 13.044 1.00 0.00 C ATOM 145 CD1 TRP A 12 -5.212 8.715 13.296 1.00 0.00 C ATOM 146 CD2 TRP A 12 -4.301 6.844 14.124 1.00 0.00 C ATOM 147 NE1 TRP A 12 -5.862 8.414 14.468 1.00 0.00 N ATOM 148 CE2 TRP A 12 -5.323 7.270 14.995 1.00 0.00 C ATOM 149 CE3 TRP A 12 -3.587 5.685 14.440 1.00 0.00 C ATOM 150 CZ2 TRP A 12 -5.645 6.578 16.159 1.00 0.00 C ATOM 151 CZ3 TRP A 12 -3.908 4.999 15.596 1.00 0.00 C ATOM 152 CH2 TRP A 12 -4.930 5.446 16.444 1.00 0.00 C ATOM 0 H TRP A 12 -4.201 9.336 10.141 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.233 6.880 9.905 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.486 7.073 12.095 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.888 8.738 11.724 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.432 9.565 12.666 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.623 8.955 14.879 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.798 5.332 13.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.431 6.922 16.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -3.362 4.103 15.850 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -5.158 4.887 17.339 1.00 0.00 H new ATOM 163 N ASP A 13 -6.169 6.619 11.392 1.00 0.00 N ATOM 164 CA ASP A 13 -7.236 5.681 11.721 1.00 0.00 C ATOM 165 C ASP A 13 -7.888 5.134 10.455 1.00 0.00 C ATOM 166 O ASP A 13 -8.107 3.929 10.329 1.00 0.00 O ATOM 167 CB ASP A 13 -8.288 6.361 12.599 1.00 0.00 C ATOM 168 CG ASP A 13 -9.485 5.468 12.864 1.00 0.00 C ATOM 169 OD1 ASP A 13 -9.288 4.245 13.028 1.00 0.00 O ATOM 170 OD2 ASP A 13 -10.617 5.992 12.908 1.00 0.00 O ATOM 0 H ASP A 13 -6.388 7.594 11.594 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.798 4.848 12.271 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.835 6.648 13.548 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.623 7.279 12.115 1.00 0.00 H new ATOM 175 N TYR A 14 -8.196 6.027 9.521 1.00 0.00 N ATOM 176 CA TYR A 14 -8.826 5.633 8.266 1.00 0.00 C ATOM 177 C TYR A 14 -8.237 4.326 7.747 1.00 0.00 C ATOM 178 O TYR A 14 -8.889 3.586 7.011 1.00 0.00 O ATOM 179 CB TYR A 14 -8.655 6.735 7.218 1.00 0.00 C ATOM 180 CG TYR A 14 -9.023 6.300 5.818 1.00 0.00 C ATOM 181 CD1 TYR A 14 -10.347 6.075 5.464 1.00 0.00 C ATOM 182 CD2 TYR A 14 -8.045 6.112 4.848 1.00 0.00 C ATOM 183 CE1 TYR A 14 -10.688 5.677 4.186 1.00 0.00 C ATOM 184 CE2 TYR A 14 -8.376 5.716 3.567 1.00 0.00 C ATOM 185 CZ TYR A 14 -9.699 5.499 3.241 1.00 0.00 C ATOM 186 OH TYR A 14 -10.033 5.103 1.966 1.00 0.00 O ATOM 0 H TYR A 14 -8.020 7.028 9.609 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.889 5.481 8.454 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.271 7.590 7.498 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.619 7.073 7.224 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.124 6.214 6.201 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.008 6.279 5.101 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.723 5.506 3.928 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.604 5.577 2.825 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.005 4.993 1.902 1.00 0.00 H new ATOM 196 N VAL A 15 -6.997 4.047 8.137 1.00 0.00 N ATOM 197 CA VAL A 15 -6.318 2.828 7.713 1.00 0.00 C ATOM 198 C VAL A 15 -6.991 1.592 8.298 1.00 0.00 C ATOM 199 O VAL A 15 -7.419 0.700 7.566 1.00 0.00 O ATOM 200 CB VAL A 15 -4.835 2.838 8.130 1.00 0.00 C ATOM 201 CG1 VAL A 15 -4.101 1.654 7.519 1.00 0.00 C ATOM 202 CG2 VAL A 15 -4.177 4.149 7.729 1.00 0.00 C ATOM 0 H VAL A 15 -6.442 4.649 8.746 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.382 2.792 6.625 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.780 2.748 9.215 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.055 1.677 7.824 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.558 0.726 7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.163 1.709 6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.130 4.138 8.032 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.241 4.273 6.648 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.688 4.977 8.220 1.00 0.00 H new ATOM 212 N TYR A 16 -7.083 1.547 9.622 1.00 0.00 N ATOM 213 CA TYR A 16 -7.704 0.419 10.307 1.00 0.00 C ATOM 214 C TYR A 16 -9.097 0.143 9.751 1.00 0.00 C ATOM 215 O TYR A 16 -9.649 -0.940 9.941 1.00 0.00 O ATOM 216 CB TYR A 16 -7.786 0.690 11.810 1.00 0.00 C ATOM 217 CG TYR A 16 -7.761 -0.564 12.655 1.00 0.00 C ATOM 218 CD1 TYR A 16 -6.777 -1.528 12.471 1.00 0.00 C ATOM 219 CD2 TYR A 16 -8.720 -0.785 13.635 1.00 0.00 C ATOM 220 CE1 TYR A 16 -6.750 -2.676 13.239 1.00 0.00 C ATOM 221 CE2 TYR A 16 -8.700 -1.929 14.409 1.00 0.00 C ATOM 222 CZ TYR A 16 -7.713 -2.871 14.207 1.00 0.00 C ATOM 223 OH TYR A 16 -7.690 -4.013 14.975 1.00 0.00 O ATOM 0 H TYR A 16 -6.736 2.278 10.243 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.085 -0.462 10.137 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.953 1.330 12.101 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.702 1.242 12.021 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.021 -1.377 11.715 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.495 -0.050 13.795 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.979 -3.416 13.082 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.453 -2.085 15.168 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.436 -3.995 15.610 1.00 0.00 H new ATOM 233 N GLN A 17 -9.659 1.133 9.064 1.00 0.00 N ATOM 234 CA GLN A 17 -10.988 0.998 8.480 1.00 0.00 C ATOM 235 C GLN A 17 -10.941 0.159 7.207 1.00 0.00 C ATOM 236 O GLN A 17 -11.848 -0.630 6.938 1.00 0.00 O ATOM 237 CB GLN A 17 -11.577 2.377 8.176 1.00 0.00 C ATOM 238 CG GLN A 17 -12.441 2.406 6.925 1.00 0.00 C ATOM 239 CD GLN A 17 -13.754 1.669 7.106 1.00 0.00 C ATOM 240 OE1 GLN A 17 -14.419 1.804 8.133 1.00 0.00 O ATOM 241 NE2 GLN A 17 -14.135 0.884 6.105 1.00 0.00 N ATOM 0 H GLN A 17 -9.215 2.036 8.899 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.626 0.490 9.204 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -12.174 2.704 9.028 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.764 3.094 8.063 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.644 3.442 6.652 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.890 1.961 6.097 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -13.553 0.801 5.272 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -15.010 0.364 6.170 1.00 0.00 H new ATOM 250 N LEU A 18 -9.881 0.336 6.428 1.00 0.00 N ATOM 251 CA LEU A 18 -9.715 -0.405 5.182 1.00 0.00 C ATOM 252 C LEU A 18 -9.226 -1.824 5.453 1.00 0.00 C ATOM 253 O LEU A 18 -9.867 -2.799 5.058 1.00 0.00 O ATOM 254 CB LEU A 18 -8.731 0.319 4.262 1.00 0.00 C ATOM 255 CG LEU A 18 -9.149 1.714 3.796 1.00 0.00 C ATOM 256 CD1 LEU A 18 -8.109 2.297 2.853 1.00 0.00 C ATOM 257 CD2 LEU A 18 -10.514 1.665 3.124 1.00 0.00 C ATOM 0 H LEU A 18 -9.123 0.986 6.636 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.686 -0.463 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.775 0.402 4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.564 -0.301 3.381 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.219 2.362 4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.424 3.290 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.151 2.369 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.005 1.650 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.796 2.667 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.471 1.002 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.255 1.292 3.831 1.00 0.00 H new ATOM 269 N LEU A 19 -8.088 -1.933 6.130 1.00 0.00 N ATOM 270 CA LEU A 19 -7.513 -3.233 6.456 1.00 0.00 C ATOM 271 C LEU A 19 -8.606 -4.245 6.782 1.00 0.00 C ATOM 272 O LEU A 19 -8.584 -5.376 6.297 1.00 0.00 O ATOM 273 CB LEU A 19 -6.551 -3.105 7.638 1.00 0.00 C ATOM 274 CG LEU A 19 -5.090 -2.821 7.288 1.00 0.00 C ATOM 275 CD1 LEU A 19 -4.590 -3.808 6.245 1.00 0.00 C ATOM 276 CD2 LEU A 19 -4.929 -1.391 6.792 1.00 0.00 C ATOM 0 H LEU A 19 -7.545 -1.136 6.464 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.963 -3.588 5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.910 -2.307 8.287 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.592 -4.028 8.216 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.490 -2.942 8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.548 -3.591 6.008 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.669 -4.822 6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.194 -3.720 5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.883 -1.206 6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.541 -1.243 5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.247 -0.698 7.571 1.00 0.00 H new ATOM 288 N SER A 20 -9.563 -3.830 7.607 1.00 0.00 N ATOM 289 CA SER A 20 -10.664 -4.701 7.999 1.00 0.00 C ATOM 290 C SER A 20 -11.225 -5.446 6.792 1.00 0.00 C ATOM 291 O SER A 20 -11.156 -6.673 6.717 1.00 0.00 O ATOM 292 CB SER A 20 -11.772 -3.887 8.671 1.00 0.00 C ATOM 293 OG SER A 20 -12.785 -4.733 9.187 1.00 0.00 O ATOM 0 H SER A 20 -9.597 -2.896 8.016 1.00 0.00 H new ATOM 0 HA SER A 20 -10.280 -5.434 8.709 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.349 -3.287 9.477 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.205 -3.193 7.951 1.00 0.00 H new ATOM 0 HG SER A 20 -13.480 -4.189 9.613 1.00 0.00 H new ATOM 299 N ASP A 21 -11.781 -4.694 5.848 1.00 0.00 N ATOM 300 CA ASP A 21 -12.354 -5.281 4.642 1.00 0.00 C ATOM 301 C ASP A 21 -11.284 -5.998 3.825 1.00 0.00 C ATOM 302 O ASP A 21 -10.117 -5.604 3.830 1.00 0.00 O ATOM 303 CB ASP A 21 -13.024 -4.200 3.792 1.00 0.00 C ATOM 304 CG ASP A 21 -13.999 -3.357 4.590 1.00 0.00 C ATOM 305 OD1 ASP A 21 -15.111 -3.848 4.878 1.00 0.00 O ATOM 306 OD2 ASP A 21 -13.649 -2.207 4.927 1.00 0.00 O ATOM 0 H ASP A 21 -11.847 -3.677 5.895 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.104 -6.012 4.944 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.259 -3.555 3.361 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.550 -4.670 2.961 1.00 0.00 H new ATOM 311 N SER A 22 -11.688 -7.053 3.125 1.00 0.00 N ATOM 312 CA SER A 22 -10.762 -7.828 2.307 1.00 0.00 C ATOM 313 C SER A 22 -10.852 -7.411 0.843 1.00 0.00 C ATOM 314 O SER A 22 -9.908 -7.597 0.074 1.00 0.00 O ATOM 315 CB SER A 22 -11.058 -9.323 2.443 1.00 0.00 C ATOM 316 OG SER A 22 -12.358 -9.631 1.970 1.00 0.00 O ATOM 0 H SER A 22 -12.650 -7.391 3.108 1.00 0.00 H new ATOM 0 HA SER A 22 -9.750 -7.632 2.661 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.319 -9.896 1.883 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.968 -9.621 3.488 1.00 0.00 H new ATOM 0 HG SER A 22 -12.522 -10.592 2.066 1.00 0.00 H new ATOM 322 N ARG A 23 -11.993 -6.846 0.463 1.00 0.00 N ATOM 323 CA ARG A 23 -12.208 -6.404 -0.909 1.00 0.00 C ATOM 324 C ARG A 23 -11.301 -5.224 -1.248 1.00 0.00 C ATOM 325 O ARG A 23 -11.247 -4.779 -2.395 1.00 0.00 O ATOM 326 CB ARG A 23 -13.672 -6.012 -1.118 1.00 0.00 C ATOM 327 CG ARG A 23 -14.620 -7.199 -1.160 1.00 0.00 C ATOM 328 CD ARG A 23 -16.064 -6.752 -1.326 1.00 0.00 C ATOM 329 NE ARG A 23 -16.909 -7.818 -1.860 1.00 0.00 N ATOM 330 CZ ARG A 23 -18.110 -7.609 -2.386 1.00 0.00 C ATOM 331 NH1 ARG A 23 -18.606 -6.381 -2.448 1.00 0.00 N ATOM 332 NH2 ARG A 23 -18.819 -8.630 -2.851 1.00 0.00 N ATOM 0 H ARG A 23 -12.783 -6.683 1.087 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.963 -7.232 -1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.978 -5.342 -0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.760 -5.454 -2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.345 -7.857 -1.984 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.520 -7.778 -0.242 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.456 -6.427 -0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.103 -5.890 -1.993 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.557 -8.775 -1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.065 -5.594 -2.091 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.529 -6.224 -2.853 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.441 -9.576 -2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.742 -8.468 -3.255 1.00 0.00 H new ATOM 346 N TYR A 24 -10.592 -4.723 -0.243 1.00 0.00 N ATOM 347 CA TYR A 24 -9.689 -3.593 -0.434 1.00 0.00 C ATOM 348 C TYR A 24 -8.233 -4.049 -0.409 1.00 0.00 C ATOM 349 O TYR A 24 -7.326 -3.279 -0.721 1.00 0.00 O ATOM 350 CB TYR A 24 -9.924 -2.538 0.648 1.00 0.00 C ATOM 351 CG TYR A 24 -11.280 -1.874 0.563 1.00 0.00 C ATOM 352 CD1 TYR A 24 -12.448 -2.623 0.642 1.00 0.00 C ATOM 353 CD2 TYR A 24 -11.393 -0.499 0.403 1.00 0.00 C ATOM 354 CE1 TYR A 24 -13.689 -2.021 0.564 1.00 0.00 C ATOM 355 CE2 TYR A 24 -12.630 0.112 0.325 1.00 0.00 C ATOM 356 CZ TYR A 24 -13.774 -0.653 0.406 1.00 0.00 C ATOM 357 OH TYR A 24 -15.008 -0.049 0.327 1.00 0.00 O ATOM 0 H TYR A 24 -10.625 -5.081 0.712 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.896 -3.155 -1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.818 -3.005 1.627 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.150 -1.774 0.573 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.384 -3.694 0.766 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.499 0.103 0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.587 -2.618 0.626 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.700 1.183 0.201 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.892 0.918 0.218 1.00 0.00 H new ATOM 367 N GLU A 25 -8.020 -5.307 -0.035 1.00 0.00 N ATOM 368 CA GLU A 25 -6.675 -5.865 0.031 1.00 0.00 C ATOM 369 C GLU A 25 -5.782 -5.264 -1.050 1.00 0.00 C ATOM 370 O GLU A 25 -4.652 -4.857 -0.782 1.00 0.00 O ATOM 371 CB GLU A 25 -6.723 -7.387 -0.120 1.00 0.00 C ATOM 372 CG GLU A 25 -5.723 -8.118 0.761 1.00 0.00 C ATOM 373 CD GLU A 25 -4.387 -8.330 0.075 1.00 0.00 C ATOM 374 OE1 GLU A 25 -4.155 -7.701 -0.978 1.00 0.00 O ATOM 375 OE2 GLU A 25 -3.575 -9.126 0.592 1.00 0.00 O ATOM 0 H GLU A 25 -8.761 -5.958 0.226 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.254 -5.616 1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.728 -7.736 0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.534 -7.646 -1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.570 -7.550 1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.137 -9.084 1.049 1.00 0.00 H new ATOM 382 N ASN A 26 -6.298 -5.211 -2.274 1.00 0.00 N ATOM 383 CA ASN A 26 -5.548 -4.660 -3.397 1.00 0.00 C ATOM 384 C ASN A 26 -4.983 -3.286 -3.052 1.00 0.00 C ATOM 385 O ASN A 26 -3.804 -3.012 -3.280 1.00 0.00 O ATOM 386 CB ASN A 26 -6.442 -4.561 -4.635 1.00 0.00 C ATOM 387 CG ASN A 26 -7.306 -5.793 -4.825 1.00 0.00 C ATOM 388 OD1 ASN A 26 -8.107 -6.143 -3.958 1.00 0.00 O ATOM 389 ND2 ASN A 26 -7.145 -6.457 -5.963 1.00 0.00 N ATOM 0 H ASN A 26 -7.232 -5.543 -2.513 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.716 -5.331 -3.611 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.081 -3.682 -4.549 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.820 -4.417 -5.518 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.697 -7.294 -6.147 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.469 -6.130 -6.653 1.00 0.00 H new ATOM 396 N PHE A 27 -5.832 -2.425 -2.501 1.00 0.00 N ATOM 397 CA PHE A 27 -5.418 -1.078 -2.124 1.00 0.00 C ATOM 398 C PHE A 27 -4.477 -1.114 -0.923 1.00 0.00 C ATOM 399 O PHE A 27 -3.450 -0.434 -0.906 1.00 0.00 O ATOM 400 CB PHE A 27 -6.641 -0.217 -1.802 1.00 0.00 C ATOM 401 CG PHE A 27 -7.329 0.328 -3.021 1.00 0.00 C ATOM 402 CD1 PHE A 27 -6.600 0.941 -4.028 1.00 0.00 C ATOM 403 CD2 PHE A 27 -8.704 0.227 -3.160 1.00 0.00 C ATOM 404 CE1 PHE A 27 -7.230 1.443 -5.151 1.00 0.00 C ATOM 405 CE2 PHE A 27 -9.339 0.726 -4.282 1.00 0.00 C ATOM 406 CZ PHE A 27 -8.601 1.336 -5.278 1.00 0.00 C ATOM 0 H PHE A 27 -6.811 -2.636 -2.306 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.885 -0.639 -2.968 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.352 -0.811 -1.228 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.333 0.613 -1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.528 1.027 -3.934 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.286 -0.247 -2.383 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.651 1.919 -5.929 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.411 0.639 -4.380 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.095 1.728 -6.154 1.00 0.00 H new ATOM 416 N ILE A 28 -4.835 -1.911 0.078 1.00 0.00 N ATOM 417 CA ILE A 28 -4.023 -2.036 1.282 1.00 0.00 C ATOM 418 C ILE A 28 -4.321 -3.341 2.012 1.00 0.00 C ATOM 419 O ILE A 28 -5.481 -3.691 2.232 1.00 0.00 O ATOM 420 CB ILE A 28 -4.258 -0.857 2.244 1.00 0.00 C ATOM 421 CG1 ILE A 28 -3.404 -1.021 3.503 1.00 0.00 C ATOM 422 CG2 ILE A 28 -5.732 -0.754 2.606 1.00 0.00 C ATOM 423 CD1 ILE A 28 -3.351 0.223 4.363 1.00 0.00 C ATOM 0 H ILE A 28 -5.682 -2.480 0.079 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.981 -2.031 0.962 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.962 0.066 1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.799 -1.846 4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.390 -1.295 3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.882 0.084 3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.319 -0.596 1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.053 -1.676 3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.729 0.034 5.238 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.928 1.046 3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.359 0.486 4.685 1.00 0.00 H new ATOM 435 N ARG A 29 -3.266 -4.057 2.388 1.00 0.00 N ATOM 436 CA ARG A 29 -3.414 -5.323 3.095 1.00 0.00 C ATOM 437 C ARG A 29 -2.532 -5.358 4.339 1.00 0.00 C ATOM 438 O ARG A 29 -1.681 -4.489 4.533 1.00 0.00 O ATOM 439 CB ARG A 29 -3.059 -6.491 2.172 1.00 0.00 C ATOM 440 CG ARG A 29 -1.613 -6.481 1.706 1.00 0.00 C ATOM 441 CD ARG A 29 -1.466 -7.114 0.331 1.00 0.00 C ATOM 442 NE ARG A 29 -0.176 -6.804 -0.279 1.00 0.00 N ATOM 443 CZ ARG A 29 0.943 -7.467 -0.007 1.00 0.00 C ATOM 444 NH1 ARG A 29 0.929 -8.470 0.859 1.00 0.00 N ATOM 445 NH2 ARG A 29 2.078 -7.126 -0.603 1.00 0.00 N ATOM 0 H ARG A 29 -2.299 -3.781 2.215 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.454 -5.417 3.406 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.258 -7.428 2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.713 -6.466 1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.246 -5.455 1.676 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.995 -7.020 2.424 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.576 -8.195 0.416 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.268 -6.762 -0.318 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.131 -6.037 -0.950 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.058 -8.735 1.319 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.789 -8.977 1.066 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.092 -6.355 -1.270 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.937 -7.635 -0.394 1.00 0.00 H new ATOM 459 N TRP A 30 -2.741 -6.365 5.178 1.00 0.00 N ATOM 460 CA TRP A 30 -1.965 -6.512 6.405 1.00 0.00 C ATOM 461 C TRP A 30 -0.632 -7.198 6.126 1.00 0.00 C ATOM 462 O TRP A 30 -0.591 -8.382 5.794 1.00 0.00 O ATOM 463 CB TRP A 30 -2.757 -7.311 7.441 1.00 0.00 C ATOM 464 CG TRP A 30 -3.637 -6.458 8.303 1.00 0.00 C ATOM 465 CD1 TRP A 30 -4.991 -6.561 8.447 1.00 0.00 C ATOM 466 CD2 TRP A 30 -3.224 -5.370 9.138 1.00 0.00 C ATOM 467 NE1 TRP A 30 -5.445 -5.603 9.321 1.00 0.00 N ATOM 468 CE2 TRP A 30 -4.381 -4.860 9.760 1.00 0.00 C ATOM 469 CE3 TRP A 30 -1.990 -4.779 9.423 1.00 0.00 C ATOM 470 CZ2 TRP A 30 -4.337 -3.788 10.646 1.00 0.00 C ATOM 471 CZ3 TRP A 30 -1.949 -3.715 10.302 1.00 0.00 C ATOM 472 CH2 TRP A 30 -3.116 -3.228 10.907 1.00 0.00 C ATOM 0 H TRP A 30 -3.441 -7.092 5.032 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.765 -5.516 6.801 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.371 -8.051 6.927 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -2.061 -7.860 8.075 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.613 -7.289 7.947 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.417 -5.467 9.598 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.085 -5.148 8.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.236 -3.411 11.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -1.001 -3.250 10.527 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.050 -2.395 11.592 1.00 0.00 H new ATOM 483 N GLU A 31 0.456 -6.446 6.264 1.00 0.00 N ATOM 484 CA GLU A 31 1.790 -6.984 6.026 1.00 0.00 C ATOM 485 C GLU A 31 2.168 -7.997 7.102 1.00 0.00 C ATOM 486 O GLU A 31 2.412 -9.168 6.809 1.00 0.00 O ATOM 487 CB GLU A 31 2.821 -5.853 5.990 1.00 0.00 C ATOM 488 CG GLU A 31 2.974 -5.213 4.620 1.00 0.00 C ATOM 489 CD GLU A 31 3.257 -6.228 3.530 1.00 0.00 C ATOM 490 OE1 GLU A 31 4.371 -6.792 3.518 1.00 0.00 O ATOM 491 OE2 GLU A 31 2.363 -6.459 2.689 1.00 0.00 O ATOM 0 H GLU A 31 0.440 -5.464 6.539 1.00 0.00 H new ATOM 0 HA GLU A 31 1.783 -7.491 5.061 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.533 -5.087 6.710 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.787 -6.243 6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.063 -4.667 4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.784 -4.484 4.652 1.00 0.00 H new ATOM 498 N ASP A 32 2.216 -7.538 8.348 1.00 0.00 N ATOM 499 CA ASP A 32 2.564 -8.404 9.469 1.00 0.00 C ATOM 500 C ASP A 32 1.614 -8.182 10.642 1.00 0.00 C ATOM 501 O ASP A 32 1.885 -7.372 11.529 1.00 0.00 O ATOM 502 CB ASP A 32 4.006 -8.149 9.909 1.00 0.00 C ATOM 503 CG ASP A 32 4.998 -8.330 8.776 1.00 0.00 C ATOM 504 OD1 ASP A 32 4.713 -7.857 7.656 1.00 0.00 O ATOM 505 OD2 ASP A 32 6.059 -8.945 9.010 1.00 0.00 O ATOM 0 H ASP A 32 2.018 -6.571 8.607 1.00 0.00 H new ATOM 0 HA ASP A 32 2.471 -9.439 9.140 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.089 -7.136 10.302 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.260 -8.828 10.723 1.00 0.00 H new ATOM 510 N LYS A 33 0.500 -8.905 10.639 1.00 0.00 N ATOM 511 CA LYS A 33 -0.491 -8.788 11.702 1.00 0.00 C ATOM 512 C LYS A 33 0.166 -8.909 13.074 1.00 0.00 C ATOM 513 O LYS A 33 -0.234 -8.238 14.024 1.00 0.00 O ATOM 514 CB LYS A 33 -1.568 -9.864 11.544 1.00 0.00 C ATOM 515 CG LYS A 33 -2.753 -9.419 10.705 1.00 0.00 C ATOM 516 CD LYS A 33 -3.840 -8.793 11.562 1.00 0.00 C ATOM 517 CE LYS A 33 -3.503 -7.356 11.928 1.00 0.00 C ATOM 518 NZ LYS A 33 -4.676 -6.638 12.498 1.00 0.00 N ATOM 0 H LYS A 33 0.260 -9.579 9.912 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.955 -7.804 11.626 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.122 -10.748 11.088 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.923 -10.159 12.532 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.420 -8.700 9.956 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.161 -10.275 10.167 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.788 -8.820 11.025 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.971 -9.380 12.471 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.686 -7.347 12.650 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.150 -6.829 11.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.860 -5.778 11.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.511 -7.257 12.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.477 -6.377 13.485 1.00 0.00 H new ATOM 532 N GLU A 34 1.175 -9.769 13.168 1.00 0.00 N ATOM 533 CA GLU A 34 1.887 -9.976 14.423 1.00 0.00 C ATOM 534 C GLU A 34 2.188 -8.644 15.104 1.00 0.00 C ATOM 535 O GLU A 34 1.948 -8.478 16.300 1.00 0.00 O ATOM 536 CB GLU A 34 3.189 -10.741 14.177 1.00 0.00 C ATOM 537 CG GLU A 34 4.046 -10.145 13.073 1.00 0.00 C ATOM 538 CD GLU A 34 5.232 -11.020 12.718 1.00 0.00 C ATOM 539 OE1 GLU A 34 6.119 -11.194 13.581 1.00 0.00 O ATOM 540 OE2 GLU A 34 5.275 -11.531 11.580 1.00 0.00 O ATOM 0 H GLU A 34 1.518 -10.333 12.390 1.00 0.00 H new ATOM 0 HA GLU A 34 1.247 -10.564 15.081 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.767 -10.765 15.101 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.951 -11.774 13.923 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.433 -9.993 12.185 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.404 -9.164 13.386 1.00 0.00 H new ATOM 547 N SER A 35 2.715 -7.698 14.334 1.00 0.00 N ATOM 548 CA SER A 35 3.053 -6.382 14.863 1.00 0.00 C ATOM 549 C SER A 35 2.161 -5.305 14.251 1.00 0.00 C ATOM 550 O SER A 35 2.530 -4.131 14.202 1.00 0.00 O ATOM 551 CB SER A 35 4.523 -6.060 14.586 1.00 0.00 C ATOM 552 OG SER A 35 5.070 -5.252 15.613 1.00 0.00 O ATOM 0 H SER A 35 2.917 -7.818 13.342 1.00 0.00 H new ATOM 0 HA SER A 35 2.888 -6.397 15.940 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.092 -6.986 14.505 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.612 -5.547 13.629 1.00 0.00 H new ATOM 0 HG SER A 35 5.822 -5.721 16.033 1.00 0.00 H new ATOM 558 N LYS A 36 0.986 -5.714 13.787 1.00 0.00 N ATOM 559 CA LYS A 36 0.038 -4.786 13.180 1.00 0.00 C ATOM 560 C LYS A 36 0.722 -3.924 12.124 1.00 0.00 C ATOM 561 O LYS A 36 0.489 -2.717 12.049 1.00 0.00 O ATOM 562 CB LYS A 36 -0.593 -3.895 14.252 1.00 0.00 C ATOM 563 CG LYS A 36 -1.589 -4.621 15.138 1.00 0.00 C ATOM 564 CD LYS A 36 -1.728 -3.945 16.492 1.00 0.00 C ATOM 565 CE LYS A 36 -0.671 -4.434 17.470 1.00 0.00 C ATOM 566 NZ LYS A 36 0.642 -3.769 17.245 1.00 0.00 N ATOM 0 H LYS A 36 0.666 -6.682 13.819 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.745 -5.370 12.696 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.197 -3.476 14.875 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.094 -3.057 13.767 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.560 -4.653 14.645 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.268 -5.653 15.277 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.642 -2.865 16.371 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.720 -4.142 16.898 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.004 -4.244 18.490 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.554 -5.513 17.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.150 -3.690 18.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.207 -4.333 16.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.487 -2.819 16.851 1.00 0.00 H new ATOM 580 N ILE A 37 1.565 -4.550 11.309 1.00 0.00 N ATOM 581 CA ILE A 37 2.279 -3.840 10.256 1.00 0.00 C ATOM 582 C ILE A 37 1.478 -3.827 8.959 1.00 0.00 C ATOM 583 O ILE A 37 1.156 -4.879 8.406 1.00 0.00 O ATOM 584 CB ILE A 37 3.659 -4.470 9.988 1.00 0.00 C ATOM 585 CG1 ILE A 37 4.362 -4.793 11.308 1.00 0.00 C ATOM 586 CG2 ILE A 37 4.512 -3.537 9.142 1.00 0.00 C ATOM 587 CD1 ILE A 37 5.793 -5.251 11.135 1.00 0.00 C ATOM 0 H ILE A 37 1.770 -5.548 11.358 1.00 0.00 H new ATOM 0 HA ILE A 37 2.417 -2.816 10.604 1.00 0.00 H new ATOM 0 HB ILE A 37 3.516 -5.400 9.437 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.347 -3.908 11.944 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.801 -5.569 11.828 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.484 -3.996 8.961 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.015 -3.353 8.190 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.649 -2.592 9.668 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.228 -5.462 12.112 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.815 -6.154 10.525 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.369 -4.467 10.643 1.00 0.00 H new ATOM 599 N PHE A 38 1.159 -2.630 8.478 1.00 0.00 N ATOM 600 CA PHE A 38 0.396 -2.480 7.245 1.00 0.00 C ATOM 601 C PHE A 38 1.235 -1.806 6.164 1.00 0.00 C ATOM 602 O PHE A 38 2.218 -1.125 6.460 1.00 0.00 O ATOM 603 CB PHE A 38 -0.874 -1.666 7.503 1.00 0.00 C ATOM 604 CG PHE A 38 -0.603 -0.258 7.948 1.00 0.00 C ATOM 605 CD1 PHE A 38 -0.343 0.024 9.279 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.609 0.785 7.035 1.00 0.00 C ATOM 607 CE1 PHE A 38 -0.094 1.320 9.691 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.361 2.082 7.441 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.102 2.350 8.771 1.00 0.00 C ATOM 0 H PHE A 38 1.417 -1.750 8.924 1.00 0.00 H new ATOM 0 HA PHE A 38 0.118 -3.474 6.896 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.472 -1.642 6.592 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.471 -2.170 8.263 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.335 -0.777 10.003 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.810 0.581 5.994 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.107 1.527 10.732 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.370 2.885 6.719 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.094 3.363 9.091 1.00 0.00 H new ATOM 619 N ARG A 39 0.841 -2.000 4.910 1.00 0.00 N ATOM 620 CA ARG A 39 1.557 -1.413 3.784 1.00 0.00 C ATOM 621 C ARG A 39 0.590 -1.003 2.678 1.00 0.00 C ATOM 622 O ARG A 39 -0.110 -1.842 2.110 1.00 0.00 O ATOM 623 CB ARG A 39 2.587 -2.402 3.235 1.00 0.00 C ATOM 624 CG ARG A 39 3.417 -1.845 2.090 1.00 0.00 C ATOM 625 CD ARG A 39 4.014 -2.957 1.243 1.00 0.00 C ATOM 626 NE ARG A 39 5.166 -2.499 0.471 1.00 0.00 N ATOM 627 CZ ARG A 39 5.689 -3.179 -0.543 1.00 0.00 C ATOM 628 NH1 ARG A 39 5.166 -4.342 -0.906 1.00 0.00 N ATOM 629 NH2 ARG A 39 6.738 -2.696 -1.197 1.00 0.00 N ATOM 0 H ARG A 39 0.029 -2.559 4.648 1.00 0.00 H new ATOM 0 HA ARG A 39 2.073 -0.521 4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.254 -2.704 4.042 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.071 -3.300 2.895 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.794 -1.205 1.465 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.217 -1.221 2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.315 -3.782 1.888 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.254 -3.344 0.565 1.00 0.00 H new ATOM 0 HE ARG A 39 5.592 -1.608 0.724 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.360 -4.717 -0.406 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.570 -4.862 -1.685 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.143 -1.802 -0.921 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.139 -3.219 -1.976 1.00 0.00 H new ATOM 643 N ILE A 40 0.555 0.291 2.378 1.00 0.00 N ATOM 644 CA ILE A 40 -0.326 0.811 1.340 1.00 0.00 C ATOM 645 C ILE A 40 0.085 0.300 -0.037 1.00 0.00 C ATOM 646 O ILE A 40 0.951 0.878 -0.693 1.00 0.00 O ATOM 647 CB ILE A 40 -0.328 2.351 1.323 1.00 0.00 C ATOM 648 CG1 ILE A 40 -1.088 2.895 2.535 1.00 0.00 C ATOM 649 CG2 ILE A 40 -0.945 2.866 0.031 1.00 0.00 C ATOM 650 CD1 ILE A 40 -0.918 4.384 2.736 1.00 0.00 C ATOM 0 H ILE A 40 1.127 0.999 2.839 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.330 0.456 1.572 1.00 0.00 H new ATOM 0 HB ILE A 40 0.703 2.701 1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.148 2.671 2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.748 2.375 3.430 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.939 3.956 0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.367 2.502 -0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.972 2.509 -0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.484 4.700 3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.137 4.613 2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.285 4.914 1.857 1.00 0.00 H new ATOM 662 N VAL A 41 -0.544 -0.789 -0.470 1.00 0.00 N ATOM 663 CA VAL A 41 -0.247 -1.377 -1.770 1.00 0.00 C ATOM 664 C VAL A 41 -0.017 -0.298 -2.822 1.00 0.00 C ATOM 665 O VAL A 41 0.916 -0.384 -3.621 1.00 0.00 O ATOM 666 CB VAL A 41 -1.384 -2.303 -2.240 1.00 0.00 C ATOM 667 CG1 VAL A 41 -0.978 -3.050 -3.502 1.00 0.00 C ATOM 668 CG2 VAL A 41 -1.770 -3.276 -1.136 1.00 0.00 C ATOM 0 H VAL A 41 -1.262 -1.281 0.061 1.00 0.00 H new ATOM 0 HA VAL A 41 0.664 -1.964 -1.651 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.255 -1.690 -2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.794 -3.699 -3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.756 -2.334 -4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.093 -3.653 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.575 -3.923 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.906 -3.884 -0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.106 -2.719 -0.261 1.00 0.00 H new ATOM 678 N ASP A 42 -0.873 0.718 -2.816 1.00 0.00 N ATOM 679 CA ASP A 42 -0.763 1.816 -3.769 1.00 0.00 C ATOM 680 C ASP A 42 -1.280 3.117 -3.162 1.00 0.00 C ATOM 681 O ASP A 42 -2.459 3.252 -2.834 1.00 0.00 O ATOM 682 CB ASP A 42 -1.539 1.491 -5.046 1.00 0.00 C ATOM 683 CG ASP A 42 -0.735 0.643 -6.012 1.00 0.00 C ATOM 684 OD1 ASP A 42 -0.698 -0.592 -5.828 1.00 0.00 O ATOM 685 OD2 ASP A 42 -0.145 1.214 -6.953 1.00 0.00 O ATOM 0 H ASP A 42 -1.651 0.804 -2.162 1.00 0.00 H new ATOM 0 HA ASP A 42 0.291 1.945 -4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.458 0.967 -4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.830 2.420 -5.537 1.00 0.00 H new ATOM 690 N PRO A 43 -0.378 4.097 -3.006 1.00 0.00 N ATOM 691 CA PRO A 43 -0.719 5.404 -2.436 1.00 0.00 C ATOM 692 C PRO A 43 -1.601 6.229 -3.367 1.00 0.00 C ATOM 693 O PRO A 43 -2.502 6.936 -2.919 1.00 0.00 O ATOM 694 CB PRO A 43 0.643 6.078 -2.253 1.00 0.00 C ATOM 695 CG PRO A 43 1.527 5.425 -3.258 1.00 0.00 C ATOM 696 CD PRO A 43 1.045 4.006 -3.374 1.00 0.00 C ATOM 0 HA PRO A 43 -1.290 5.310 -1.512 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.579 7.153 -2.422 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.022 5.936 -1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.470 5.936 -4.219 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.569 5.458 -2.941 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.175 3.619 -4.385 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.591 3.340 -2.706 1.00 0.00 H new ATOM 704 N ASN A 44 -1.334 6.134 -4.666 1.00 0.00 N ATOM 705 CA ASN A 44 -2.104 6.873 -5.661 1.00 0.00 C ATOM 706 C ASN A 44 -3.559 6.417 -5.670 1.00 0.00 C ATOM 707 O ASN A 44 -4.476 7.233 -5.756 1.00 0.00 O ATOM 708 CB ASN A 44 -1.490 6.689 -7.050 1.00 0.00 C ATOM 709 CG ASN A 44 -1.744 7.878 -7.956 1.00 0.00 C ATOM 710 OD1 ASN A 44 -2.625 8.696 -7.693 1.00 0.00 O ATOM 711 ND2 ASN A 44 -0.971 7.978 -9.031 1.00 0.00 N ATOM 0 H ASN A 44 -0.591 5.553 -5.054 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.075 7.930 -5.396 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.416 6.533 -6.952 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.901 5.791 -7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.096 8.757 -9.678 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.253 7.276 -9.210 1.00 0.00 H new ATOM 718 N GLY A 45 -3.764 5.106 -5.581 1.00 0.00 N ATOM 719 CA GLY A 45 -5.110 4.564 -5.580 1.00 0.00 C ATOM 720 C GLY A 45 -5.766 4.642 -4.216 1.00 0.00 C ATOM 721 O GLY A 45 -6.971 4.877 -4.111 1.00 0.00 O ATOM 0 H GLY A 45 -3.022 4.410 -5.510 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.718 5.108 -6.303 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.080 3.524 -5.906 1.00 0.00 H new ATOM 725 N LEU A 46 -4.974 4.444 -3.168 1.00 0.00 N ATOM 726 CA LEU A 46 -5.486 4.492 -1.803 1.00 0.00 C ATOM 727 C LEU A 46 -5.878 5.915 -1.418 1.00 0.00 C ATOM 728 O LEU A 46 -6.964 6.149 -0.888 1.00 0.00 O ATOM 729 CB LEU A 46 -4.437 3.958 -0.826 1.00 0.00 C ATOM 730 CG LEU A 46 -4.887 3.815 0.629 1.00 0.00 C ATOM 731 CD1 LEU A 46 -5.203 5.177 1.226 1.00 0.00 C ATOM 732 CD2 LEU A 46 -6.095 2.894 0.726 1.00 0.00 C ATOM 0 H LEU A 46 -3.975 4.249 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.375 3.864 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.103 2.983 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.572 4.621 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.071 3.372 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.521 5.055 2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.313 5.805 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.002 5.649 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.401 2.804 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.916 3.308 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.834 1.909 0.338 1.00 0.00 H new ATOM 744 N ALA A 47 -4.986 6.863 -1.689 1.00 0.00 N ATOM 745 CA ALA A 47 -5.241 8.263 -1.375 1.00 0.00 C ATOM 746 C ALA A 47 -6.593 8.711 -1.920 1.00 0.00 C ATOM 747 O ALA A 47 -7.437 9.213 -1.177 1.00 0.00 O ATOM 748 CB ALA A 47 -4.129 9.140 -1.932 1.00 0.00 C ATOM 0 H ALA A 47 -4.081 6.686 -2.125 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.263 8.368 -0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.333 10.183 -1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.177 8.844 -1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.080 9.022 -3.014 1.00 0.00 H new ATOM 754 N ARG A 48 -6.792 8.528 -3.221 1.00 0.00 N ATOM 755 CA ARG A 48 -8.041 8.915 -3.865 1.00 0.00 C ATOM 756 C ARG A 48 -9.233 8.620 -2.960 1.00 0.00 C ATOM 757 O ARG A 48 -10.153 9.430 -2.843 1.00 0.00 O ATOM 758 CB ARG A 48 -8.202 8.179 -5.196 1.00 0.00 C ATOM 759 CG ARG A 48 -7.460 8.835 -6.349 1.00 0.00 C ATOM 760 CD ARG A 48 -8.012 8.387 -7.694 1.00 0.00 C ATOM 761 NE ARG A 48 -7.474 9.178 -8.797 1.00 0.00 N ATOM 762 CZ ARG A 48 -7.943 10.372 -9.142 1.00 0.00 C ATOM 763 NH1 ARG A 48 -8.953 10.910 -8.473 1.00 0.00 N ATOM 764 NH2 ARG A 48 -7.400 11.031 -10.159 1.00 0.00 N ATOM 0 H ARG A 48 -6.104 8.114 -3.850 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.007 9.988 -4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.845 7.156 -5.081 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.262 8.121 -5.443 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.540 9.919 -6.265 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.400 8.588 -6.289 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.773 7.335 -7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.099 8.469 -7.685 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.696 8.793 -9.332 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.372 10.407 -7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.311 11.827 -8.740 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.622 10.620 -10.676 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.761 11.948 -10.423 1.00 0.00 H new ATOM 778 N LEU A 49 -9.211 7.454 -2.323 1.00 0.00 N ATOM 779 CA LEU A 49 -10.291 7.051 -1.428 1.00 0.00 C ATOM 780 C LEU A 49 -10.342 7.949 -0.196 1.00 0.00 C ATOM 781 O LEU A 49 -11.419 8.330 0.262 1.00 0.00 O ATOM 782 CB LEU A 49 -10.110 5.593 -1.004 1.00 0.00 C ATOM 783 CG LEU A 49 -10.111 4.560 -2.131 1.00 0.00 C ATOM 784 CD1 LEU A 49 -9.259 3.358 -1.755 1.00 0.00 C ATOM 785 CD2 LEU A 49 -11.534 4.127 -2.456 1.00 0.00 C ATOM 0 H LEU A 49 -8.458 6.771 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.233 7.152 -1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.169 5.508 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.906 5.338 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.680 5.020 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.272 2.634 -2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.234 3.681 -1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.659 2.896 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.516 3.392 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.991 3.685 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.115 4.994 -2.770 1.00 0.00 H new ATOM 797 N TRP A 50 -9.171 8.285 0.333 1.00 0.00 N ATOM 798 CA TRP A 50 -9.081 9.140 1.511 1.00 0.00 C ATOM 799 C TRP A 50 -9.471 10.575 1.172 1.00 0.00 C ATOM 800 O TRP A 50 -10.044 11.284 1.998 1.00 0.00 O ATOM 801 CB TRP A 50 -7.664 9.106 2.085 1.00 0.00 C ATOM 802 CG TRP A 50 -7.316 10.327 2.881 1.00 0.00 C ATOM 803 CD1 TRP A 50 -6.598 11.407 2.453 1.00 0.00 C ATOM 804 CD2 TRP A 50 -7.670 10.592 4.243 1.00 0.00 C ATOM 805 NE1 TRP A 50 -6.484 12.327 3.467 1.00 0.00 N ATOM 806 CE2 TRP A 50 -7.133 11.851 4.575 1.00 0.00 C ATOM 807 CE3 TRP A 50 -8.389 9.889 5.213 1.00 0.00 C ATOM 808 CZ2 TRP A 50 -7.293 12.419 5.836 1.00 0.00 C ATOM 809 CZ3 TRP A 50 -8.546 10.454 6.465 1.00 0.00 C ATOM 810 CH2 TRP A 50 -8.001 11.709 6.767 1.00 0.00 C ATOM 0 H TRP A 50 -8.271 7.978 -0.035 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.777 8.760 2.259 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.557 8.225 2.719 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -6.951 8.999 1.268 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.181 11.521 1.463 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.995 13.220 3.405 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.814 8.922 4.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.873 13.386 6.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -9.098 9.919 7.223 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.143 12.124 7.754 1.00 0.00 H new ATOM 821 N GLY A 51 -9.157 10.997 -0.049 1.00 0.00 N ATOM 822 CA GLY A 51 -9.483 12.346 -0.475 1.00 0.00 C ATOM 823 C GLY A 51 -10.899 12.461 -1.001 1.00 0.00 C ATOM 824 O GLY A 51 -11.501 13.534 -0.952 1.00 0.00 O ATOM 0 H GLY A 51 -8.683 10.429 -0.751 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.354 13.030 0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.784 12.658 -1.251 1.00 0.00 H new ATOM 828 N ASN A 52 -11.434 11.355 -1.507 1.00 0.00 N ATOM 829 CA ASN A 52 -12.788 11.337 -2.047 1.00 0.00 C ATOM 830 C ASN A 52 -13.815 11.597 -0.949 1.00 0.00 C ATOM 831 O ASN A 52 -14.517 12.609 -0.967 1.00 0.00 O ATOM 832 CB ASN A 52 -13.074 9.994 -2.720 1.00 0.00 C ATOM 833 CG ASN A 52 -14.414 9.976 -3.430 1.00 0.00 C ATOM 834 OD1 ASN A 52 -14.677 10.801 -4.305 1.00 0.00 O ATOM 835 ND2 ASN A 52 -15.270 9.033 -3.054 1.00 0.00 N ATOM 0 H ASN A 52 -10.950 10.459 -1.554 1.00 0.00 H new ATOM 0 HA ASN A 52 -12.866 12.131 -2.789 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.283 9.775 -3.437 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.053 9.203 -1.970 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.188 8.972 -3.495 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.010 8.370 -2.324 1.00 0.00 H new ATOM 842 N HIS A 53 -13.896 10.677 0.008 1.00 0.00 N ATOM 843 CA HIS A 53 -14.836 10.807 1.115 1.00 0.00 C ATOM 844 C HIS A 53 -14.550 12.067 1.926 1.00 0.00 C ATOM 845 O HIS A 53 -15.370 12.497 2.737 1.00 0.00 O ATOM 846 CB HIS A 53 -14.763 9.577 2.020 1.00 0.00 C ATOM 847 CG HIS A 53 -13.769 9.710 3.133 1.00 0.00 C ATOM 848 ND1 HIS A 53 -12.642 8.923 3.233 1.00 0.00 N ATOM 849 CD2 HIS A 53 -13.738 10.546 4.197 1.00 0.00 C ATOM 850 CE1 HIS A 53 -11.960 9.268 4.311 1.00 0.00 C ATOM 851 NE2 HIS A 53 -12.604 10.252 4.913 1.00 0.00 N ATOM 0 H HIS A 53 -13.322 9.834 0.039 1.00 0.00 H new ATOM 0 HA HIS A 53 -15.841 10.884 0.699 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -15.749 9.390 2.445 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.506 8.707 1.416 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -14.469 11.303 4.438 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.034 8.822 4.643 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -12.307 10.718 5.770 1.00 0.00 H new ATOM 860 N LYS A 54 -13.380 12.656 1.702 1.00 0.00 N ATOM 861 CA LYS A 54 -12.984 13.867 2.410 1.00 0.00 C ATOM 862 C LYS A 54 -13.292 15.109 1.580 1.00 0.00 C ATOM 863 O LYS A 54 -12.738 16.181 1.820 1.00 0.00 O ATOM 864 CB LYS A 54 -11.491 13.823 2.745 1.00 0.00 C ATOM 865 CG LYS A 54 -11.186 13.158 4.077 1.00 0.00 C ATOM 866 CD LYS A 54 -11.653 14.010 5.245 1.00 0.00 C ATOM 867 CE LYS A 54 -10.607 15.043 5.636 1.00 0.00 C ATOM 868 NZ LYS A 54 -9.662 14.515 6.658 1.00 0.00 N ATOM 0 H LYS A 54 -12.689 12.313 1.035 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.557 13.919 3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.965 13.290 1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.100 14.840 2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.673 12.184 4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.114 12.982 4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.582 14.514 4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.870 13.369 6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.050 15.349 4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.103 15.933 6.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.284 15.303 7.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.162 13.851 7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.879 14.021 6.184 1.00 0.00 H new ATOM 882 N ASN A 55 -14.180 14.956 0.603 1.00 0.00 N ATOM 883 CA ASN A 55 -14.563 16.066 -0.263 1.00 0.00 C ATOM 884 C ASN A 55 -13.342 16.886 -0.667 1.00 0.00 C ATOM 885 O ASN A 55 -13.402 18.114 -0.738 1.00 0.00 O ATOM 886 CB ASN A 55 -15.583 16.962 0.443 1.00 0.00 C ATOM 887 CG ASN A 55 -16.445 17.737 -0.535 1.00 0.00 C ATOM 888 OD1 ASN A 55 -16.507 17.410 -1.720 1.00 0.00 O ATOM 889 ND2 ASN A 55 -17.117 18.771 -0.040 1.00 0.00 N ATOM 0 H ASN A 55 -14.648 14.075 0.391 1.00 0.00 H new ATOM 0 HA ASN A 55 -15.015 15.653 -1.164 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -16.221 16.350 1.080 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.059 17.661 1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -17.714 19.330 -0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -17.036 19.006 0.949 1.00 0.00 H new ATOM 896 N ARG A 56 -12.236 16.199 -0.932 1.00 0.00 N ATOM 897 CA ARG A 56 -11.000 16.864 -1.329 1.00 0.00 C ATOM 898 C ARG A 56 -10.739 16.680 -2.821 1.00 0.00 C ATOM 899 O ARG A 56 -11.025 15.624 -3.387 1.00 0.00 O ATOM 900 CB ARG A 56 -9.820 16.318 -0.522 1.00 0.00 C ATOM 901 CG ARG A 56 -8.589 17.207 -0.567 1.00 0.00 C ATOM 902 CD ARG A 56 -8.747 18.423 0.332 1.00 0.00 C ATOM 903 NE ARG A 56 -9.351 19.551 -0.373 1.00 0.00 N ATOM 904 CZ ARG A 56 -9.542 20.745 0.177 1.00 0.00 C ATOM 905 NH1 ARG A 56 -9.178 20.966 1.433 1.00 0.00 N ATOM 906 NH2 ARG A 56 -10.098 21.721 -0.530 1.00 0.00 N ATOM 0 H ARG A 56 -12.170 15.183 -0.879 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.108 17.929 -1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.128 16.191 0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.558 15.330 -0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.714 16.635 -0.257 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.411 17.532 -1.592 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.364 18.161 1.191 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.771 18.717 0.718 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.642 19.414 -1.341 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.750 20.218 1.979 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.326 21.884 1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.379 21.554 -1.496 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.244 22.638 -0.107 1.00 0.00 H new ATOM 920 N THR A 57 -10.193 17.714 -3.453 1.00 0.00 N ATOM 921 CA THR A 57 -9.895 17.668 -4.879 1.00 0.00 C ATOM 922 C THR A 57 -8.422 17.359 -5.123 1.00 0.00 C ATOM 923 O THR A 57 -7.542 17.980 -4.528 1.00 0.00 O ATOM 924 CB THR A 57 -10.251 18.997 -5.571 1.00 0.00 C ATOM 925 OG1 THR A 57 -11.586 19.386 -5.228 1.00 0.00 O ATOM 926 CG2 THR A 57 -10.126 18.870 -7.082 1.00 0.00 C ATOM 0 H THR A 57 -9.948 18.594 -2.999 1.00 0.00 H new ATOM 0 HA THR A 57 -10.506 16.871 -5.304 1.00 0.00 H new ATOM 0 HB THR A 57 -9.552 19.759 -5.227 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.804 20.233 -5.671 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.382 19.821 -7.549 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.102 18.603 -7.341 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.805 18.095 -7.439 1.00 0.00 H new ATOM 934 N ASN A 58 -8.161 16.397 -6.002 1.00 0.00 N ATOM 935 CA ASN A 58 -6.794 16.007 -6.324 1.00 0.00 C ATOM 936 C ASN A 58 -5.992 15.733 -5.055 1.00 0.00 C ATOM 937 O ASN A 58 -4.916 16.295 -4.856 1.00 0.00 O ATOM 938 CB ASN A 58 -6.109 17.101 -7.147 1.00 0.00 C ATOM 939 CG ASN A 58 -6.663 17.196 -8.556 1.00 0.00 C ATOM 940 OD1 ASN A 58 -6.735 16.200 -9.275 1.00 0.00 O ATOM 941 ND2 ASN A 58 -7.057 18.399 -8.956 1.00 0.00 N ATOM 0 H ASN A 58 -8.878 15.873 -6.504 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.834 15.090 -6.912 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.233 18.061 -6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.038 16.901 -7.193 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.438 18.525 -9.894 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.979 19.197 -8.326 1.00 0.00 H new ATOM 948 N MET A 59 -6.526 14.867 -4.200 1.00 0.00 N ATOM 949 CA MET A 59 -5.859 14.517 -2.951 1.00 0.00 C ATOM 950 C MET A 59 -4.608 13.687 -3.217 1.00 0.00 C ATOM 951 O MET A 59 -4.693 12.530 -3.630 1.00 0.00 O ATOM 952 CB MET A 59 -6.814 13.745 -2.038 1.00 0.00 C ATOM 953 CG MET A 59 -6.120 13.068 -0.868 1.00 0.00 C ATOM 954 SD MET A 59 -5.316 14.243 0.239 1.00 0.00 S ATOM 955 CE MET A 59 -6.597 14.481 1.468 1.00 0.00 C ATOM 0 H MET A 59 -7.418 14.395 -4.349 1.00 0.00 H new ATOM 0 HA MET A 59 -5.561 15.441 -2.455 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.570 14.430 -1.655 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.336 12.990 -2.626 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.850 12.486 -0.305 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.377 12.366 -1.248 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.163 14.406 2.465 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.045 15.466 1.340 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.363 13.715 1.348 1.00 0.00 H new ATOM 965 N THR A 60 -3.445 14.284 -2.977 1.00 0.00 N ATOM 966 CA THR A 60 -2.176 13.601 -3.191 1.00 0.00 C ATOM 967 C THR A 60 -1.630 13.032 -1.886 1.00 0.00 C ATOM 968 O THR A 60 -1.892 13.565 -0.808 1.00 0.00 O ATOM 969 CB THR A 60 -1.125 14.545 -3.805 1.00 0.00 C ATOM 970 OG1 THR A 60 0.131 13.869 -3.926 1.00 0.00 O ATOM 971 CG2 THR A 60 -0.955 15.793 -2.952 1.00 0.00 C ATOM 0 H THR A 60 -3.356 15.240 -2.634 1.00 0.00 H new ATOM 0 HA THR A 60 -2.371 12.785 -3.887 1.00 0.00 H new ATOM 0 HB THR A 60 -1.472 14.844 -4.794 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.793 14.476 -4.319 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.208 16.445 -3.405 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.906 16.322 -2.887 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.629 15.508 -1.952 1.00 0.00 H new ATOM 979 N TYR A 61 -0.869 11.948 -1.991 1.00 0.00 N ATOM 980 CA TYR A 61 -0.287 11.307 -0.818 1.00 0.00 C ATOM 981 C TYR A 61 0.570 12.290 -0.028 1.00 0.00 C ATOM 982 O TYR A 61 0.695 12.181 1.191 1.00 0.00 O ATOM 983 CB TYR A 61 0.554 10.100 -1.236 1.00 0.00 C ATOM 984 CG TYR A 61 1.276 9.437 -0.084 1.00 0.00 C ATOM 985 CD1 TYR A 61 0.656 8.450 0.674 1.00 0.00 C ATOM 986 CD2 TYR A 61 2.576 9.797 0.247 1.00 0.00 C ATOM 987 CE1 TYR A 61 1.311 7.842 1.727 1.00 0.00 C ATOM 988 CE2 TYR A 61 3.239 9.194 1.298 1.00 0.00 C ATOM 989 CZ TYR A 61 2.602 8.217 2.035 1.00 0.00 C ATOM 990 OH TYR A 61 3.258 7.614 3.084 1.00 0.00 O ATOM 0 H TYR A 61 -0.641 11.495 -2.876 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.102 10.969 -0.178 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.092 9.367 -1.719 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.286 10.417 -1.978 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.355 8.154 0.435 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.077 10.562 -0.328 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.815 7.077 2.306 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.250 9.486 1.541 1.00 0.00 H new ATOM 0 HH TYR A 61 4.159 7.991 3.167 1.00 0.00 H new ATOM 1000 N GLU A 62 1.158 13.252 -0.733 1.00 0.00 N ATOM 1001 CA GLU A 62 2.005 14.255 -0.098 1.00 0.00 C ATOM 1002 C GLU A 62 1.292 14.896 1.089 1.00 0.00 C ATOM 1003 O GLU A 62 1.858 15.019 2.176 1.00 0.00 O ATOM 1004 CB GLU A 62 2.403 15.332 -1.109 1.00 0.00 C ATOM 1005 CG GLU A 62 3.708 16.033 -0.770 1.00 0.00 C ATOM 1006 CD GLU A 62 4.877 15.074 -0.671 1.00 0.00 C ATOM 1007 OE1 GLU A 62 5.338 14.590 -1.727 1.00 0.00 O ATOM 1008 OE2 GLU A 62 5.332 14.806 0.460 1.00 0.00 O ATOM 0 H GLU A 62 1.063 13.358 -1.743 1.00 0.00 H new ATOM 0 HA GLU A 62 2.904 13.757 0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.490 14.877 -2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.607 16.074 -1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.922 16.783 -1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.596 16.563 0.176 1.00 0.00 H new ATOM 1015 N LYS A 63 0.045 15.303 0.874 1.00 0.00 N ATOM 1016 CA LYS A 63 -0.747 15.930 1.925 1.00 0.00 C ATOM 1017 C LYS A 63 -1.338 14.881 2.861 1.00 0.00 C ATOM 1018 O LYS A 63 -1.830 15.206 3.942 1.00 0.00 O ATOM 1019 CB LYS A 63 -1.870 16.771 1.312 1.00 0.00 C ATOM 1020 CG LYS A 63 -1.383 17.781 0.287 1.00 0.00 C ATOM 1021 CD LYS A 63 -2.473 18.130 -0.712 1.00 0.00 C ATOM 1022 CE LYS A 63 -2.154 19.418 -1.456 1.00 0.00 C ATOM 1023 NZ LYS A 63 -0.891 19.310 -2.237 1.00 0.00 N ATOM 0 H LYS A 63 -0.439 15.210 -0.019 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.089 16.578 2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.594 16.107 0.840 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.394 17.298 2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.051 18.686 0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.519 17.377 -0.241 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.588 17.315 -1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.425 18.235 -0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.977 19.662 -2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.071 20.238 -0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.770 20.162 -2.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.086 19.221 -1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.933 18.472 -2.851 1.00 0.00 H new ATOM 1037 N MET A 64 -1.284 13.621 2.441 1.00 0.00 N ATOM 1038 CA MET A 64 -1.811 12.524 3.244 1.00 0.00 C ATOM 1039 C MET A 64 -0.817 12.117 4.327 1.00 0.00 C ATOM 1040 O MET A 64 -1.077 12.289 5.518 1.00 0.00 O ATOM 1041 CB MET A 64 -2.135 11.322 2.355 1.00 0.00 C ATOM 1042 CG MET A 64 -3.222 10.423 2.921 1.00 0.00 C ATOM 1043 SD MET A 64 -3.748 9.152 1.756 1.00 0.00 S ATOM 1044 CE MET A 64 -3.062 7.685 2.522 1.00 0.00 C ATOM 0 H MET A 64 -0.881 13.335 1.549 1.00 0.00 H new ATOM 0 HA MET A 64 -2.727 12.867 3.726 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.445 11.680 1.373 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.229 10.734 2.208 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.857 9.947 3.831 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.082 11.031 3.202 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.532 7.097 1.773 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.369 7.977 3.311 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.867 7.087 2.949 1.00 0.00 H new ATOM 1054 N SER A 65 0.322 11.576 3.906 1.00 0.00 N ATOM 1055 CA SER A 65 1.354 11.141 4.840 1.00 0.00 C ATOM 1056 C SER A 65 1.541 12.163 5.957 1.00 0.00 C ATOM 1057 O SER A 65 1.905 11.812 7.080 1.00 0.00 O ATOM 1058 CB SER A 65 2.678 10.922 4.106 1.00 0.00 C ATOM 1059 OG SER A 65 3.243 12.156 3.697 1.00 0.00 O ATOM 0 H SER A 65 0.553 11.428 2.924 1.00 0.00 H new ATOM 0 HA SER A 65 1.034 10.198 5.283 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.376 10.397 4.757 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.514 10.287 3.236 1.00 0.00 H new ATOM 0 HG SER A 65 4.089 11.990 3.232 1.00 0.00 H new ATOM 1065 N ARG A 66 1.289 13.429 5.641 1.00 0.00 N ATOM 1066 CA ARG A 66 1.431 14.503 6.616 1.00 0.00 C ATOM 1067 C ARG A 66 1.015 14.033 8.007 1.00 0.00 C ATOM 1068 O ARG A 66 1.699 14.300 8.994 1.00 0.00 O ATOM 1069 CB ARG A 66 0.590 15.711 6.202 1.00 0.00 C ATOM 1070 CG ARG A 66 1.341 16.707 5.333 1.00 0.00 C ATOM 1071 CD ARG A 66 2.102 17.719 6.175 1.00 0.00 C ATOM 1072 NE ARG A 66 1.222 18.748 6.722 1.00 0.00 N ATOM 1073 CZ ARG A 66 1.521 19.479 7.791 1.00 0.00 C ATOM 1074 NH1 ARG A 66 2.671 19.294 8.423 1.00 0.00 N ATOM 1075 NH2 ARG A 66 0.668 20.397 8.228 1.00 0.00 N ATOM 0 H ARG A 66 0.985 13.736 4.717 1.00 0.00 H new ATOM 0 HA ARG A 66 2.481 14.794 6.648 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.290 15.362 5.662 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.234 16.219 7.098 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.037 16.174 4.686 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.637 17.228 4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.608 17.204 6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.875 18.189 5.567 1.00 0.00 H new ATOM 0 HE ARG A 66 0.329 18.915 6.258 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.329 18.589 8.089 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.898 19.856 9.243 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.218 20.542 7.743 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.898 20.958 9.048 1.00 0.00 H new ATOM 1089 N ALA A 67 -0.112 13.331 8.076 1.00 0.00 N ATOM 1090 CA ALA A 67 -0.619 12.823 9.345 1.00 0.00 C ATOM 1091 C ALA A 67 0.325 11.780 9.935 1.00 0.00 C ATOM 1092 O ALA A 67 0.979 12.024 10.950 1.00 0.00 O ATOM 1093 CB ALA A 67 -2.009 12.233 9.160 1.00 0.00 C ATOM 0 H ALA A 67 -0.691 13.101 7.268 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.680 13.658 10.044 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.375 11.858 10.116 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.685 13.004 8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.964 11.414 8.442 1.00 0.00 H new ATOM 1099 N LEU A 68 0.392 10.619 9.293 1.00 0.00 N ATOM 1100 CA LEU A 68 1.257 9.538 9.755 1.00 0.00 C ATOM 1101 C LEU A 68 2.539 10.091 10.369 1.00 0.00 C ATOM 1102 O LEU A 68 3.002 9.608 11.403 1.00 0.00 O ATOM 1103 CB LEU A 68 1.596 8.600 8.596 1.00 0.00 C ATOM 1104 CG LEU A 68 0.493 7.629 8.173 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.244 7.095 9.391 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.476 8.308 7.216 1.00 0.00 C ATOM 0 H LEU A 68 -0.142 10.402 8.451 1.00 0.00 H new ATOM 0 HA LEU A 68 0.721 8.979 10.522 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.869 9.206 7.732 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.477 8.020 8.870 1.00 0.00 H new ATOM 0 HG LEU A 68 0.954 6.788 7.656 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.025 6.406 9.070 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.458 6.571 10.040 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.694 7.924 9.937 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.254 7.603 6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.931 9.168 7.708 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.062 8.641 6.328 1.00 0.00 H new ATOM 1118 N ARG A 69 3.106 11.108 9.728 1.00 0.00 N ATOM 1119 CA ARG A 69 4.334 11.727 10.211 1.00 0.00 C ATOM 1120 C ARG A 69 4.161 12.232 11.641 1.00 0.00 C ATOM 1121 O ARG A 69 4.796 11.730 12.569 1.00 0.00 O ATOM 1122 CB ARG A 69 4.741 12.883 9.297 1.00 0.00 C ATOM 1123 CG ARG A 69 6.153 13.388 9.545 1.00 0.00 C ATOM 1124 CD ARG A 69 7.192 12.466 8.926 1.00 0.00 C ATOM 1125 NE ARG A 69 8.510 13.091 8.863 1.00 0.00 N ATOM 1126 CZ ARG A 69 8.915 13.855 7.854 1.00 0.00 C ATOM 1127 NH1 ARG A 69 8.106 14.087 6.829 1.00 0.00 N ATOM 1128 NH2 ARG A 69 10.130 14.388 7.870 1.00 0.00 N ATOM 0 H ARG A 69 2.734 11.521 8.873 1.00 0.00 H new ATOM 0 HA ARG A 69 5.120 10.972 10.202 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.656 12.561 8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.040 13.707 9.433 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.260 14.390 9.129 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.329 13.468 10.618 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.254 11.547 9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.875 12.186 7.921 1.00 0.00 H new ATOM 0 HE ARG A 69 9.156 12.932 9.636 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.171 13.679 6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.418 14.674 6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.754 14.211 8.657 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.440 14.974 7.095 1.00 0.00 H new ATOM 1142 N HIS A 70 3.298 13.229 11.811 1.00 0.00 N ATOM 1143 CA HIS A 70 3.042 13.802 13.128 1.00 0.00 C ATOM 1144 C HIS A 70 2.894 12.705 14.178 1.00 0.00 C ATOM 1145 O HIS A 70 3.343 12.856 15.315 1.00 0.00 O ATOM 1146 CB HIS A 70 1.781 14.666 13.095 1.00 0.00 C ATOM 1147 CG HIS A 70 2.046 16.100 12.757 1.00 0.00 C ATOM 1148 ND1 HIS A 70 2.661 16.977 13.627 1.00 0.00 N ATOM 1149 CD2 HIS A 70 1.778 16.811 11.637 1.00 0.00 C ATOM 1150 CE1 HIS A 70 2.758 18.164 13.056 1.00 0.00 C ATOM 1151 NE2 HIS A 70 2.230 18.090 11.848 1.00 0.00 N ATOM 0 H HIS A 70 2.765 13.656 11.054 1.00 0.00 H new ATOM 0 HA HIS A 70 3.894 14.426 13.398 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.086 14.252 12.365 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.290 14.615 14.067 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.298 16.441 10.743 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.195 19.045 13.501 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.168 18.858 11.180 1.00 0.00 H new ATOM 1160 N TYR A 71 2.262 11.603 13.791 1.00 0.00 N ATOM 1161 CA TYR A 71 2.053 10.483 14.700 1.00 0.00 C ATOM 1162 C TYR A 71 3.379 9.825 15.070 1.00 0.00 C ATOM 1163 O TYR A 71 3.555 9.342 16.188 1.00 0.00 O ATOM 1164 CB TYR A 71 1.119 9.451 14.065 1.00 0.00 C ATOM 1165 CG TYR A 71 -0.297 9.948 13.882 1.00 0.00 C ATOM 1166 CD1 TYR A 71 -1.174 10.020 14.958 1.00 0.00 C ATOM 1167 CD2 TYR A 71 -0.759 10.344 12.633 1.00 0.00 C ATOM 1168 CE1 TYR A 71 -2.469 10.473 14.795 1.00 0.00 C ATOM 1169 CE2 TYR A 71 -2.052 10.799 12.461 1.00 0.00 C ATOM 1170 CZ TYR A 71 -2.903 10.862 13.545 1.00 0.00 C ATOM 1171 OH TYR A 71 -4.192 11.313 13.378 1.00 0.00 O ATOM 0 H TYR A 71 1.885 11.461 12.854 1.00 0.00 H new ATOM 0 HA TYR A 71 1.594 10.869 15.610 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.521 9.158 13.095 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.104 8.556 14.687 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.837 9.717 15.938 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.096 10.295 11.782 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.138 10.522 15.642 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.395 11.104 11.483 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.817 10.672 13.777 1.00 0.00 H new ATOM 1181 N TYR A 72 4.309 9.812 14.122 1.00 0.00 N ATOM 1182 CA TYR A 72 5.620 9.213 14.345 1.00 0.00 C ATOM 1183 C TYR A 72 6.228 9.707 15.654 1.00 0.00 C ATOM 1184 O TYR A 72 6.880 8.950 16.374 1.00 0.00 O ATOM 1185 CB TYR A 72 6.557 9.537 13.180 1.00 0.00 C ATOM 1186 CG TYR A 72 6.103 8.958 11.859 1.00 0.00 C ATOM 1187 CD1 TYR A 72 5.017 8.093 11.793 1.00 0.00 C ATOM 1188 CD2 TYR A 72 6.760 9.275 10.677 1.00 0.00 C ATOM 1189 CE1 TYR A 72 4.599 7.562 10.589 1.00 0.00 C ATOM 1190 CE2 TYR A 72 6.348 8.749 9.467 1.00 0.00 C ATOM 1191 CZ TYR A 72 5.267 7.893 9.429 1.00 0.00 C ATOM 1192 OH TYR A 72 4.854 7.366 8.226 1.00 0.00 O ATOM 0 H TYR A 72 4.180 10.209 13.192 1.00 0.00 H new ATOM 0 HA TYR A 72 5.492 8.132 14.409 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.642 10.619 13.083 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.553 9.159 13.410 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.491 7.832 12.699 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.607 9.944 10.704 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.753 6.891 10.556 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.869 9.007 8.557 1.00 0.00 H new ATOM 0 HH TYR A 72 4.571 6.437 8.356 1.00 0.00 H new ATOM 1202 N LYS A 73 6.009 10.982 15.957 1.00 0.00 N ATOM 1203 CA LYS A 73 6.533 11.579 17.180 1.00 0.00 C ATOM 1204 C LYS A 73 5.737 11.116 18.395 1.00 0.00 C ATOM 1205 O LYS A 73 6.270 11.026 19.502 1.00 0.00 O ATOM 1206 CB LYS A 73 6.495 13.106 17.083 1.00 0.00 C ATOM 1207 CG LYS A 73 7.619 13.690 16.245 1.00 0.00 C ATOM 1208 CD LYS A 73 7.308 13.611 14.760 1.00 0.00 C ATOM 1209 CE LYS A 73 8.498 14.044 13.917 1.00 0.00 C ATOM 1210 NZ LYS A 73 8.099 14.364 12.518 1.00 0.00 N ATOM 0 H LYS A 73 5.472 11.622 15.372 1.00 0.00 H new ATOM 0 HA LYS A 73 7.567 11.254 17.300 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.539 13.411 16.657 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.545 13.527 18.087 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.783 14.730 16.528 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.545 13.154 16.453 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.029 12.590 14.500 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.450 14.244 14.533 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.966 14.918 14.370 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.246 13.251 13.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.828 14.961 12.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.998 13.482 11.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.192 14.873 12.523 1.00 0.00 H new ATOM 1224 N LEU A 74 4.459 10.823 18.183 1.00 0.00 N ATOM 1225 CA LEU A 74 3.589 10.367 19.262 1.00 0.00 C ATOM 1226 C LEU A 74 3.879 8.913 19.619 1.00 0.00 C ATOM 1227 O LEU A 74 3.214 8.328 20.472 1.00 0.00 O ATOM 1228 CB LEU A 74 2.121 10.522 18.860 1.00 0.00 C ATOM 1229 CG LEU A 74 1.523 11.920 19.025 1.00 0.00 C ATOM 1230 CD1 LEU A 74 0.434 12.160 17.991 1.00 0.00 C ATOM 1231 CD2 LEU A 74 0.975 12.103 20.433 1.00 0.00 C ATOM 0 H LEU A 74 4.002 10.893 17.274 1.00 0.00 H new ATOM 0 HA LEU A 74 3.787 10.983 20.139 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.018 10.226 17.816 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.528 9.823 19.450 1.00 0.00 H new ATOM 0 HG LEU A 74 2.313 12.654 18.867 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.020 13.160 18.124 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.857 12.072 16.990 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.357 11.420 18.117 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.554 13.103 20.532 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.198 11.362 20.620 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.780 11.975 21.156 1.00 0.00 H new ATOM 1243 N ASN A 75 4.879 8.336 18.960 1.00 0.00 N ATOM 1244 CA ASN A 75 5.260 6.950 19.209 1.00 0.00 C ATOM 1245 C ASN A 75 4.077 6.013 18.986 1.00 0.00 C ATOM 1246 O ASN A 75 3.858 5.079 19.758 1.00 0.00 O ATOM 1247 CB ASN A 75 5.787 6.793 20.637 1.00 0.00 C ATOM 1248 CG ASN A 75 7.284 7.018 20.729 1.00 0.00 C ATOM 1249 OD1 ASN A 75 8.022 6.165 21.223 1.00 0.00 O ATOM 1250 ND2 ASN A 75 7.739 8.170 20.252 1.00 0.00 N ATOM 0 H ASN A 75 5.440 8.806 18.250 1.00 0.00 H new ATOM 0 HA ASN A 75 6.049 6.684 18.506 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.275 7.500 21.290 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.550 5.793 21.001 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.737 8.377 20.286 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.091 8.848 19.851 1.00 0.00 H new ATOM 1257 N ILE A 76 3.318 6.269 17.925 1.00 0.00 N ATOM 1258 CA ILE A 76 2.159 5.447 17.600 1.00 0.00 C ATOM 1259 C ILE A 76 2.389 4.656 16.316 1.00 0.00 C ATOM 1260 O ILE A 76 2.001 3.492 16.215 1.00 0.00 O ATOM 1261 CB ILE A 76 0.889 6.303 17.441 1.00 0.00 C ATOM 1262 CG1 ILE A 76 0.587 7.052 18.741 1.00 0.00 C ATOM 1263 CG2 ILE A 76 -0.291 5.431 17.039 1.00 0.00 C ATOM 1264 CD1 ILE A 76 -0.520 8.074 18.606 1.00 0.00 C ATOM 0 H ILE A 76 3.485 7.039 17.277 1.00 0.00 H new ATOM 0 HA ILE A 76 2.020 4.755 18.431 1.00 0.00 H new ATOM 0 HB ILE A 76 1.059 7.036 16.652 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.313 6.331 19.511 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.493 7.553 19.081 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.181 6.051 16.931 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.074 4.939 16.091 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.465 4.677 17.807 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.680 8.566 19.565 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.240 8.817 17.859 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.439 7.576 18.296 1.00 0.00 H new ATOM 1276 N ILE A 77 3.024 5.295 15.340 1.00 0.00 N ATOM 1277 CA ILE A 77 3.309 4.650 14.064 1.00 0.00 C ATOM 1278 C ILE A 77 4.734 4.940 13.607 1.00 0.00 C ATOM 1279 O ILE A 77 5.243 6.046 13.790 1.00 0.00 O ATOM 1280 CB ILE A 77 2.328 5.111 12.969 1.00 0.00 C ATOM 1281 CG1 ILE A 77 0.895 5.112 13.506 1.00 0.00 C ATOM 1282 CG2 ILE A 77 2.440 4.213 11.746 1.00 0.00 C ATOM 1283 CD1 ILE A 77 -0.004 6.123 12.828 1.00 0.00 C ATOM 0 H ILE A 77 3.351 6.259 15.408 1.00 0.00 H new ATOM 0 HA ILE A 77 3.191 3.578 14.220 1.00 0.00 H new ATOM 0 HB ILE A 77 2.587 6.128 12.674 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.468 4.117 13.381 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.917 5.317 14.576 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.741 4.551 10.981 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.456 4.257 11.354 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.203 3.186 12.026 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.004 6.068 13.259 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.399 7.125 12.975 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.056 5.906 11.761 1.00 0.00 H new ATOM 1295 N ARG A 78 5.374 3.939 13.011 1.00 0.00 N ATOM 1296 CA ARG A 78 6.741 4.086 12.528 1.00 0.00 C ATOM 1297 C ARG A 78 6.830 3.759 11.040 1.00 0.00 C ATOM 1298 O ARG A 78 6.066 2.942 10.526 1.00 0.00 O ATOM 1299 CB ARG A 78 7.685 3.178 13.318 1.00 0.00 C ATOM 1300 CG ARG A 78 8.358 3.871 14.491 1.00 0.00 C ATOM 1301 CD ARG A 78 9.702 4.461 14.093 1.00 0.00 C ATOM 1302 NE ARG A 78 10.665 3.428 13.722 1.00 0.00 N ATOM 1303 CZ ARG A 78 11.884 3.690 13.264 1.00 0.00 C ATOM 1304 NH1 ARG A 78 12.287 4.945 13.123 1.00 0.00 N ATOM 1305 NH2 ARG A 78 12.703 2.695 12.948 1.00 0.00 N ATOM 0 H ARG A 78 4.967 3.017 12.851 1.00 0.00 H new ATOM 0 HA ARG A 78 7.041 5.124 12.673 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.125 2.319 13.687 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.452 2.793 12.646 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.710 4.662 14.869 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.498 3.159 15.304 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.564 5.145 13.256 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.100 5.047 14.921 1.00 0.00 H new ATOM 0 HE ARG A 78 10.386 2.452 13.820 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.661 5.712 13.366 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.224 5.143 12.771 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.397 1.728 13.057 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.639 2.897 12.596 1.00 0.00 H new ATOM 1319 N LYS A 79 7.767 4.402 10.353 1.00 0.00 N ATOM 1320 CA LYS A 79 7.958 4.180 8.924 1.00 0.00 C ATOM 1321 C LYS A 79 9.211 3.350 8.665 1.00 0.00 C ATOM 1322 O LYS A 79 10.328 3.863 8.723 1.00 0.00 O ATOM 1323 CB LYS A 79 8.058 5.518 8.188 1.00 0.00 C ATOM 1324 CG LYS A 79 8.281 5.375 6.693 1.00 0.00 C ATOM 1325 CD LYS A 79 8.183 6.714 5.983 1.00 0.00 C ATOM 1326 CE LYS A 79 7.835 6.542 4.512 1.00 0.00 C ATOM 1327 NZ LYS A 79 8.001 7.811 3.750 1.00 0.00 N ATOM 0 H LYS A 79 8.407 5.082 10.763 1.00 0.00 H new ATOM 0 HA LYS A 79 7.095 3.630 8.549 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.143 6.086 8.358 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.876 6.098 8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.262 4.937 6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.543 4.688 6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.425 7.329 6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.130 7.245 6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.471 5.771 4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.806 6.196 4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.754 7.652 2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.376 8.540 4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.989 8.129 3.816 1.00 0.00 H new ATOM 1341 N GLU A 80 9.016 2.067 8.377 1.00 0.00 N ATOM 1342 CA GLU A 80 10.132 1.168 8.109 1.00 0.00 C ATOM 1343 C GLU A 80 10.939 1.646 6.905 1.00 0.00 C ATOM 1344 O GLU A 80 10.392 2.003 5.861 1.00 0.00 O ATOM 1345 CB GLU A 80 9.622 -0.254 7.862 1.00 0.00 C ATOM 1346 CG GLU A 80 9.283 -1.008 9.137 1.00 0.00 C ATOM 1347 CD GLU A 80 9.415 -2.510 8.979 1.00 0.00 C ATOM 1348 OE1 GLU A 80 10.471 -2.965 8.492 1.00 0.00 O ATOM 1349 OE2 GLU A 80 8.462 -3.231 9.343 1.00 0.00 O ATOM 0 H GLU A 80 8.097 1.628 8.323 1.00 0.00 H new ATOM 0 HA GLU A 80 10.782 1.167 8.984 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.735 -0.208 7.230 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.379 -0.812 7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.940 -0.672 9.939 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.264 -0.766 9.437 1.00 0.00 H new ATOM 1356 N PRO A 81 12.272 1.654 7.052 1.00 0.00 N ATOM 1357 CA PRO A 81 13.183 2.086 5.988 1.00 0.00 C ATOM 1358 C PRO A 81 13.219 1.104 4.821 1.00 0.00 C ATOM 1359 O PRO A 81 12.581 0.054 4.862 1.00 0.00 O ATOM 1360 CB PRO A 81 14.544 2.138 6.686 1.00 0.00 C ATOM 1361 CG PRO A 81 14.426 1.177 7.818 1.00 0.00 C ATOM 1362 CD PRO A 81 12.993 1.241 8.268 1.00 0.00 C ATOM 0 HA PRO A 81 12.877 3.036 5.550 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.348 1.853 6.007 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.768 3.144 7.042 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.691 0.168 7.502 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.102 1.445 8.630 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.643 0.276 8.634 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.858 1.957 9.078 1.00 0.00 H new ATOM 1370 N GLY A 82 13.972 1.454 3.782 1.00 0.00 N ATOM 1371 CA GLY A 82 14.077 0.592 2.619 1.00 0.00 C ATOM 1372 C GLY A 82 12.801 0.563 1.802 1.00 0.00 C ATOM 1373 O GLY A 82 12.765 1.068 0.680 1.00 0.00 O ATOM 0 H GLY A 82 14.511 2.318 3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.899 0.934 1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.321 -0.420 2.942 1.00 0.00 H new ATOM 1377 N GLN A 83 11.754 -0.031 2.364 1.00 0.00 N ATOM 1378 CA GLN A 83 10.471 -0.126 1.677 1.00 0.00 C ATOM 1379 C GLN A 83 9.998 1.249 1.214 1.00 0.00 C ATOM 1380 O GLN A 83 10.694 2.248 1.394 1.00 0.00 O ATOM 1381 CB GLN A 83 9.422 -0.755 2.596 1.00 0.00 C ATOM 1382 CG GLN A 83 9.693 -2.216 2.917 1.00 0.00 C ATOM 1383 CD GLN A 83 9.775 -3.081 1.675 1.00 0.00 C ATOM 1384 OE1 GLN A 83 10.813 -3.146 1.016 1.00 0.00 O ATOM 1385 NE2 GLN A 83 8.677 -3.753 1.348 1.00 0.00 N ATOM 0 H GLN A 83 11.768 -0.453 3.292 1.00 0.00 H new ATOM 0 HA GLN A 83 10.603 -0.760 0.800 1.00 0.00 H new ATOM 0 HB2 GLN A 83 9.380 -0.189 3.526 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.442 -0.670 2.127 1.00 0.00 H new ATOM 0 HG2 GLN A 83 10.628 -2.295 3.472 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.904 -2.594 3.567 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.838 -3.670 1.923 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.673 -4.352 0.522 1.00 0.00 H new ATOM 1394 N ARG A 84 8.812 1.291 0.616 1.00 0.00 N ATOM 1395 CA ARG A 84 8.248 2.542 0.125 1.00 0.00 C ATOM 1396 C ARG A 84 7.093 3.002 1.010 1.00 0.00 C ATOM 1397 O ARG A 84 7.181 4.033 1.677 1.00 0.00 O ATOM 1398 CB ARG A 84 7.765 2.377 -1.318 1.00 0.00 C ATOM 1399 CG ARG A 84 7.590 3.695 -2.055 1.00 0.00 C ATOM 1400 CD ARG A 84 7.409 3.477 -3.549 1.00 0.00 C ATOM 1401 NE ARG A 84 6.158 2.788 -3.855 1.00 0.00 N ATOM 1402 CZ ARG A 84 5.938 2.133 -4.989 1.00 0.00 C ATOM 1403 NH1 ARG A 84 6.880 2.077 -5.920 1.00 0.00 N ATOM 1404 NH2 ARG A 84 4.773 1.531 -5.194 1.00 0.00 N ATOM 0 H ARG A 84 8.223 0.473 0.460 1.00 0.00 H new ATOM 0 HA ARG A 84 9.030 3.301 0.155 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.478 1.758 -1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.815 1.843 -1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.725 4.224 -1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.460 4.329 -1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.427 4.439 -4.060 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.247 2.896 -3.934 1.00 0.00 H new ATOM 0 HE ARG A 84 5.412 2.811 -3.159 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.777 2.538 -5.766 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.708 1.573 -6.790 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.046 1.571 -4.480 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.605 1.028 -6.065 1.00 0.00 H new ATOM 1418 N LEU A 85 6.012 2.230 1.010 1.00 0.00 N ATOM 1419 CA LEU A 85 4.838 2.558 1.812 1.00 0.00 C ATOM 1420 C LEU A 85 4.645 1.543 2.934 1.00 0.00 C ATOM 1421 O LEU A 85 3.585 0.926 3.051 1.00 0.00 O ATOM 1422 CB LEU A 85 3.590 2.605 0.930 1.00 0.00 C ATOM 1423 CG LEU A 85 3.298 3.943 0.250 1.00 0.00 C ATOM 1424 CD1 LEU A 85 3.248 5.064 1.276 1.00 0.00 C ATOM 1425 CD2 LEU A 85 4.345 4.239 -0.815 1.00 0.00 C ATOM 0 H LEU A 85 5.924 1.373 0.464 1.00 0.00 H new ATOM 0 HA LEU A 85 4.996 3.540 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.686 1.841 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.728 2.335 1.540 1.00 0.00 H new ATOM 0 HG LEU A 85 2.324 3.878 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.039 6.008 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.462 4.858 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.207 5.131 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.122 5.195 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.331 4.284 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.333 3.450 -1.567 1.00 0.00 H new ATOM 1437 N LEU A 86 5.674 1.375 3.757 1.00 0.00 N ATOM 1438 CA LEU A 86 5.616 0.436 4.872 1.00 0.00 C ATOM 1439 C LEU A 86 5.462 1.173 6.198 1.00 0.00 C ATOM 1440 O LEU A 86 6.227 2.088 6.505 1.00 0.00 O ATOM 1441 CB LEU A 86 6.877 -0.430 4.901 1.00 0.00 C ATOM 1442 CG LEU A 86 6.711 -1.840 5.468 1.00 0.00 C ATOM 1443 CD1 LEU A 86 5.732 -1.835 6.632 1.00 0.00 C ATOM 1444 CD2 LEU A 86 6.247 -2.800 4.382 1.00 0.00 C ATOM 0 H LEU A 86 6.558 1.876 3.673 1.00 0.00 H new ATOM 0 HA LEU A 86 4.745 -0.204 4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.260 -0.512 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.636 0.088 5.487 1.00 0.00 H new ATOM 0 HG LEU A 86 7.679 -2.180 5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.626 -2.847 7.023 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.105 -1.179 7.419 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.762 -1.475 6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.134 -3.799 4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.290 -2.464 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.985 -2.826 3.580 1.00 0.00 H new ATOM 1456 N PHE A 87 4.468 0.768 6.982 1.00 0.00 N ATOM 1457 CA PHE A 87 4.214 1.390 8.277 1.00 0.00 C ATOM 1458 C PHE A 87 4.045 0.333 9.364 1.00 0.00 C ATOM 1459 O PHE A 87 3.581 -0.777 9.099 1.00 0.00 O ATOM 1460 CB PHE A 87 2.964 2.270 8.207 1.00 0.00 C ATOM 1461 CG PHE A 87 2.950 3.198 7.026 1.00 0.00 C ATOM 1462 CD1 PHE A 87 3.768 4.316 6.996 1.00 0.00 C ATOM 1463 CD2 PHE A 87 2.119 2.952 5.945 1.00 0.00 C ATOM 1464 CE1 PHE A 87 3.756 5.172 5.911 1.00 0.00 C ATOM 1465 CE2 PHE A 87 2.103 3.804 4.857 1.00 0.00 C ATOM 1466 CZ PHE A 87 2.924 4.915 4.840 1.00 0.00 C ATOM 0 H PHE A 87 3.826 0.012 6.744 1.00 0.00 H new ATOM 0 HA PHE A 87 5.074 2.011 8.529 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.082 1.631 8.168 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.892 2.858 9.122 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.423 4.521 7.830 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.476 2.084 5.953 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.397 6.041 5.901 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.450 3.602 4.021 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.915 5.581 3.990 1.00 0.00 H new ATOM 1476 N ARG A 88 4.425 0.685 10.588 1.00 0.00 N ATOM 1477 CA ARG A 88 4.318 -0.234 11.715 1.00 0.00 C ATOM 1478 C ARG A 88 3.526 0.397 12.857 1.00 0.00 C ATOM 1479 O ARG A 88 3.927 1.420 13.413 1.00 0.00 O ATOM 1480 CB ARG A 88 5.710 -0.636 12.207 1.00 0.00 C ATOM 1481 CG ARG A 88 5.687 -1.517 13.445 1.00 0.00 C ATOM 1482 CD ARG A 88 7.043 -1.548 14.132 1.00 0.00 C ATOM 1483 NE ARG A 88 7.248 -2.783 14.884 1.00 0.00 N ATOM 1484 CZ ARG A 88 8.446 -3.270 15.186 1.00 0.00 C ATOM 1485 NH1 ARG A 88 9.542 -2.629 14.802 1.00 0.00 N ATOM 1486 NH2 ARG A 88 8.551 -4.400 15.874 1.00 0.00 N ATOM 0 H ARG A 88 4.810 1.600 10.824 1.00 0.00 H new ATOM 0 HA ARG A 88 3.789 -1.125 11.376 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.231 -1.162 11.407 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.284 0.265 12.423 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.934 -1.148 14.141 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.396 -2.530 13.167 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.830 -1.444 13.385 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.128 -0.695 14.806 1.00 0.00 H new ATOM 0 HE ARG A 88 6.425 -3.300 15.194 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.466 -1.760 14.274 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.461 -3.005 15.035 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.711 -4.896 16.172 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.472 -4.773 16.105 1.00 0.00 H new ATOM 1500 N PHE A 89 2.400 -0.219 13.200 1.00 0.00 N ATOM 1501 CA PHE A 89 1.551 0.283 14.274 1.00 0.00 C ATOM 1502 C PHE A 89 2.061 -0.184 15.634 1.00 0.00 C ATOM 1503 O PHE A 89 1.493 -1.090 16.244 1.00 0.00 O ATOM 1504 CB PHE A 89 0.107 -0.182 14.071 1.00 0.00 C ATOM 1505 CG PHE A 89 -0.711 0.754 13.228 1.00 0.00 C ATOM 1506 CD1 PHE A 89 -0.739 2.111 13.505 1.00 0.00 C ATOM 1507 CD2 PHE A 89 -1.453 0.276 12.160 1.00 0.00 C ATOM 1508 CE1 PHE A 89 -1.491 2.976 12.732 1.00 0.00 C ATOM 1509 CE2 PHE A 89 -2.206 1.136 11.383 1.00 0.00 C ATOM 1510 CZ PHE A 89 -2.227 2.487 11.670 1.00 0.00 C ATOM 0 H PHE A 89 2.054 -1.066 12.750 1.00 0.00 H new ATOM 0 HA PHE A 89 1.582 1.372 14.249 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.113 -1.167 13.605 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.371 -0.293 15.044 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.166 2.498 14.335 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.443 -0.780 11.932 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.503 4.032 12.958 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.778 0.752 10.551 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.817 3.160 11.066 1.00 0.00 H new ATOM 1520 N MET A 90 3.136 0.441 16.102 1.00 0.00 N ATOM 1521 CA MET A 90 3.723 0.090 17.391 1.00 0.00 C ATOM 1522 C MET A 90 2.659 0.063 18.483 1.00 0.00 C ATOM 1523 O MET A 90 2.237 -1.005 18.927 1.00 0.00 O ATOM 1524 CB MET A 90 4.826 1.083 17.760 1.00 0.00 C ATOM 1525 CG MET A 90 5.979 1.107 16.770 1.00 0.00 C ATOM 1526 SD MET A 90 7.540 1.587 17.533 1.00 0.00 S ATOM 1527 CE MET A 90 7.136 3.227 18.129 1.00 0.00 C ATOM 0 H MET A 90 3.618 1.192 15.609 1.00 0.00 H new ATOM 0 HA MET A 90 4.156 -0.907 17.306 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.396 2.082 17.828 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.212 0.834 18.748 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.087 0.120 16.320 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.745 1.801 15.963 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.036 3.706 18.515 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.731 3.822 17.310 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.395 3.153 18.924 1.00 0.00 H new ATOM 1537 N LYS A 91 2.230 1.245 18.914 1.00 0.00 N ATOM 1538 CA LYS A 91 1.214 1.358 19.954 1.00 0.00 C ATOM 1539 C LYS A 91 -0.160 0.972 19.417 1.00 0.00 C ATOM 1540 O LYS A 91 -0.443 1.137 18.230 1.00 0.00 O ATOM 1541 CB LYS A 91 1.176 2.785 20.505 1.00 0.00 C ATOM 1542 CG LYS A 91 0.542 2.889 21.881 1.00 0.00 C ATOM 1543 CD LYS A 91 1.589 2.855 22.982 1.00 0.00 C ATOM 1544 CE LYS A 91 1.913 1.429 23.400 1.00 0.00 C ATOM 1545 NZ LYS A 91 0.716 0.722 23.933 1.00 0.00 N ATOM 0 H LYS A 91 2.571 2.138 18.559 1.00 0.00 H new ATOM 0 HA LYS A 91 1.476 0.671 20.759 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.193 3.174 20.552 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.624 3.419 19.811 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.030 3.814 21.950 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.162 2.068 22.021 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.497 3.349 22.637 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.229 3.415 23.845 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.308 0.881 22.545 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.695 1.442 24.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.018 -0.016 24.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.101 1.402 24.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.192 0.286 23.148 1.00 0.00 H new ATOM 1559 N THR A 92 -1.013 0.460 20.299 1.00 0.00 N ATOM 1560 CA THR A 92 -2.358 0.052 19.914 1.00 0.00 C ATOM 1561 C THR A 92 -3.216 1.258 19.550 1.00 0.00 C ATOM 1562 O THR A 92 -3.195 2.290 20.221 1.00 0.00 O ATOM 1563 CB THR A 92 -3.051 -0.735 21.042 1.00 0.00 C ATOM 1564 OG1 THR A 92 -2.319 -1.933 21.325 1.00 0.00 O ATOM 1565 CG2 THR A 92 -4.480 -1.087 20.657 1.00 0.00 C ATOM 0 H THR A 92 -0.796 0.318 21.285 1.00 0.00 H new ATOM 0 HA THR A 92 -2.254 -0.593 19.041 1.00 0.00 H new ATOM 0 HB THR A 92 -3.076 -0.106 21.932 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.765 -2.427 22.044 1.00 0.00 H new ATOM 0 HG21 THR A 92 -4.949 -1.643 21.469 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.042 -0.172 20.471 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.474 -1.699 19.755 1.00 0.00 H new ATOM 1573 N PRO A 93 -3.990 1.128 18.462 1.00 0.00 N ATOM 1574 CA PRO A 93 -4.871 2.198 17.985 1.00 0.00 C ATOM 1575 C PRO A 93 -6.053 2.435 18.919 1.00 0.00 C ATOM 1576 O PRO A 93 -6.369 3.575 19.260 1.00 0.00 O ATOM 1577 CB PRO A 93 -5.356 1.680 16.629 1.00 0.00 C ATOM 1578 CG PRO A 93 -5.251 0.198 16.730 1.00 0.00 C ATOM 1579 CD PRO A 93 -4.065 -0.074 17.615 1.00 0.00 C ATOM 0 HA PRO A 93 -4.355 3.157 17.931 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.381 1.992 16.430 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.742 2.066 15.815 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.160 -0.230 17.153 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.115 -0.252 15.746 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.206 -0.977 18.210 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.153 -0.214 17.034 1.00 0.00 H new ATOM 1587 N ASP A 94 -6.703 1.352 19.330 1.00 0.00 N ATOM 1588 CA ASP A 94 -7.850 1.442 20.226 1.00 0.00 C ATOM 1589 C ASP A 94 -7.471 2.147 21.524 1.00 0.00 C ATOM 1590 O ASP A 94 -8.319 2.742 22.188 1.00 0.00 O ATOM 1591 CB ASP A 94 -8.397 0.047 20.530 1.00 0.00 C ATOM 1592 CG ASP A 94 -9.416 -0.412 19.505 1.00 0.00 C ATOM 1593 OD1 ASP A 94 -10.104 0.454 18.925 1.00 0.00 O ATOM 1594 OD2 ASP A 94 -9.525 -1.636 19.283 1.00 0.00 O ATOM 0 H ASP A 94 -6.455 0.401 19.057 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.624 2.027 19.728 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.572 -0.665 20.561 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.856 0.047 21.519 1.00 0.00 H new ATOM 1599 N GLU A 95 -6.192 2.075 21.880 1.00 0.00 N ATOM 1600 CA GLU A 95 -5.702 2.705 23.100 1.00 0.00 C ATOM 1601 C GLU A 95 -6.107 4.175 23.153 1.00 0.00 C ATOM 1602 O GLU A 95 -6.667 4.640 24.146 1.00 0.00 O ATOM 1603 CB GLU A 95 -4.180 2.580 23.189 1.00 0.00 C ATOM 1604 CG GLU A 95 -3.657 2.518 24.615 1.00 0.00 C ATOM 1605 CD GLU A 95 -3.897 3.805 25.380 1.00 0.00 C ATOM 1606 OE1 GLU A 95 -3.781 4.889 24.772 1.00 0.00 O ATOM 1607 OE2 GLU A 95 -4.202 3.727 26.589 1.00 0.00 O ATOM 0 H GLU A 95 -5.477 1.587 21.341 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.151 2.191 23.950 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.866 1.682 22.656 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.724 3.429 22.680 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.139 1.693 25.139 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.588 2.304 24.597 1.00 0.00 H new ATOM 1614 N ILE A 96 -5.819 4.901 22.078 1.00 0.00 N ATOM 1615 CA ILE A 96 -6.153 6.318 22.002 1.00 0.00 C ATOM 1616 C ILE A 96 -7.663 6.529 22.025 1.00 0.00 C ATOM 1617 O ILE A 96 -8.182 7.279 22.851 1.00 0.00 O ATOM 1618 CB ILE A 96 -5.575 6.965 20.729 1.00 0.00 C ATOM 1619 CG1 ILE A 96 -4.054 6.802 20.693 1.00 0.00 C ATOM 1620 CG2 ILE A 96 -5.957 8.436 20.662 1.00 0.00 C ATOM 1621 CD1 ILE A 96 -3.601 5.481 20.112 1.00 0.00 C ATOM 0 H ILE A 96 -5.355 4.532 21.248 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.709 6.794 22.876 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.996 6.460 19.860 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.624 7.614 20.107 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.662 6.898 21.706 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.541 8.879 19.757 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.043 8.530 20.646 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.561 8.955 21.535 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.512 5.435 20.118 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.002 4.663 20.711 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.962 5.391 19.088 1.00 0.00 H new ATOM 1633 N MET A 97 -8.362 5.861 21.114 1.00 0.00 N ATOM 1634 CA MET A 97 -9.814 5.973 21.032 1.00 0.00 C ATOM 1635 C MET A 97 -10.425 6.148 22.419 1.00 0.00 C ATOM 1636 O MET A 97 -11.189 7.082 22.657 1.00 0.00 O ATOM 1637 CB MET A 97 -10.405 4.735 20.354 1.00 0.00 C ATOM 1638 CG MET A 97 -9.898 4.517 18.938 1.00 0.00 C ATOM 1639 SD MET A 97 -10.162 5.952 17.878 1.00 0.00 S ATOM 1640 CE MET A 97 -8.932 5.665 16.608 1.00 0.00 C ATOM 0 H MET A 97 -7.947 5.237 20.422 1.00 0.00 H new ATOM 0 HA MET A 97 -10.052 6.854 20.436 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.171 3.856 20.954 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.491 4.826 20.332 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.834 4.284 18.969 1.00 0.00 H new ATOM 0 HG3 MET A 97 -10.401 3.653 18.505 1.00 0.00 H new ATOM 0 HE1 MET A 97 -8.653 6.614 16.151 1.00 0.00 H new ATOM 0 HE2 MET A 97 -8.051 5.203 17.053 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.343 5.003 15.846 1.00 0.00 H new ATOM 1650 N SER A 98 -10.082 5.243 23.330 1.00 0.00 N ATOM 1651 CA SER A 98 -10.600 5.296 24.692 1.00 0.00 C ATOM 1652 C SER A 98 -10.635 6.732 25.205 1.00 0.00 C ATOM 1653 O SER A 98 -11.699 7.343 25.302 1.00 0.00 O ATOM 1654 CB SER A 98 -9.744 4.431 25.620 1.00 0.00 C ATOM 1655 OG SER A 98 -10.202 3.090 25.634 1.00 0.00 O ATOM 0 H SER A 98 -9.448 4.465 23.150 1.00 0.00 H new ATOM 0 HA SER A 98 -11.618 4.908 24.682 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.705 4.460 25.293 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.772 4.839 26.631 1.00 0.00 H new ATOM 0 HG SER A 98 -9.638 2.558 26.233 1.00 0.00 H new ATOM 1661 N GLY A 99 -9.462 7.266 25.532 1.00 0.00 N ATOM 1662 CA GLY A 99 -9.379 8.626 26.031 1.00 0.00 C ATOM 1663 C GLY A 99 -8.506 8.739 27.264 1.00 0.00 C ATOM 1664 O GLY A 99 -9.009 8.807 28.386 1.00 0.00 O ATOM 0 H GLY A 99 -8.568 6.781 25.460 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.983 9.273 25.249 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.381 8.986 26.265 1.00 0.00 H new ATOM 1668 N ARG A 100 -7.193 8.757 27.058 1.00 0.00 N ATOM 1669 CA ARG A 100 -6.247 8.859 28.163 1.00 0.00 C ATOM 1670 C ARG A 100 -5.385 10.110 28.027 1.00 0.00 C ATOM 1671 O ARG A 100 -5.521 11.059 28.801 1.00 0.00 O ATOM 1672 CB ARG A 100 -5.357 7.616 28.217 1.00 0.00 C ATOM 1673 CG ARG A 100 -4.867 7.278 29.615 1.00 0.00 C ATOM 1674 CD ARG A 100 -4.555 5.796 29.753 1.00 0.00 C ATOM 1675 NE ARG A 100 -3.268 5.450 29.155 1.00 0.00 N ATOM 1676 CZ ARG A 100 -2.738 4.233 29.205 1.00 0.00 C ATOM 1677 NH1 ARG A 100 -3.381 3.251 29.821 1.00 0.00 N ATOM 1678 NH2 ARG A 100 -1.562 3.996 28.638 1.00 0.00 N ATOM 0 H ARG A 100 -6.760 8.702 26.136 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.816 8.930 29.090 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.911 6.765 27.820 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.496 7.768 27.566 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -3.974 7.861 29.840 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.625 7.561 30.346 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.549 5.523 30.808 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.344 5.214 29.277 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.748 6.183 28.673 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.285 3.429 30.258 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.972 2.318 29.858 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.064 4.749 28.163 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.156 3.061 28.677 1.00 0.00 H new ATOM 1692 N THR A 101 -4.497 10.106 27.038 1.00 0.00 N ATOM 1693 CA THR A 101 -3.612 11.240 26.801 1.00 0.00 C ATOM 1694 C THR A 101 -4.306 12.317 25.976 1.00 0.00 C ATOM 1695 O THR A 101 -5.351 12.073 25.373 1.00 0.00 O ATOM 1696 CB THR A 101 -2.324 10.804 26.076 1.00 0.00 C ATOM 1697 OG1 THR A 101 -1.997 9.455 26.425 1.00 0.00 O ATOM 1698 CG2 THR A 101 -1.165 11.721 26.435 1.00 0.00 C ATOM 0 H THR A 101 -4.371 9.330 26.388 1.00 0.00 H new ATOM 0 HA THR A 101 -3.351 11.647 27.778 1.00 0.00 H new ATOM 0 HB THR A 101 -2.499 10.868 25.002 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.178 9.186 25.959 1.00 0.00 H new ATOM 0 HG21 THR A 101 -0.267 11.394 25.912 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.405 12.743 26.141 1.00 0.00 H new ATOM 0 HG23 THR A 101 -0.992 11.684 27.511 1.00 0.00 H new ATOM 1706 N ASP A 102 -3.719 13.508 25.953 1.00 0.00 N ATOM 1707 CA ASP A 102 -4.281 14.624 25.200 1.00 0.00 C ATOM 1708 C ASP A 102 -4.972 14.130 23.933 1.00 0.00 C ATOM 1709 O ASP A 102 -4.316 13.775 22.954 1.00 0.00 O ATOM 1710 CB ASP A 102 -3.185 15.628 24.840 1.00 0.00 C ATOM 1711 CG ASP A 102 -3.747 16.946 24.345 1.00 0.00 C ATOM 1712 OD1 ASP A 102 -4.501 17.591 25.103 1.00 0.00 O ATOM 1713 OD2 ASP A 102 -3.434 17.332 23.200 1.00 0.00 O ATOM 0 H ASP A 102 -2.854 13.726 26.447 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.022 15.118 25.828 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -2.560 15.808 25.715 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -2.542 15.199 24.072 1.00 0.00 H new ATOM 1718 N ARG A 103 -6.301 14.110 23.959 1.00 0.00 N ATOM 1719 CA ARG A 103 -7.081 13.658 22.814 1.00 0.00 C ATOM 1720 C ARG A 103 -6.387 14.023 21.505 1.00 0.00 C ATOM 1721 O ARG A 103 -6.367 15.188 21.105 1.00 0.00 O ATOM 1722 CB ARG A 103 -8.482 14.271 22.849 1.00 0.00 C ATOM 1723 CG ARG A 103 -9.397 13.639 23.885 1.00 0.00 C ATOM 1724 CD ARG A 103 -10.743 14.346 23.944 1.00 0.00 C ATOM 1725 NE ARG A 103 -11.624 13.937 22.853 1.00 0.00 N ATOM 1726 CZ ARG A 103 -12.915 14.245 22.796 1.00 0.00 C ATOM 1727 NH1 ARG A 103 -13.472 14.960 23.763 1.00 0.00 N ATOM 1728 NH2 ARG A 103 -13.651 13.837 21.771 1.00 0.00 N ATOM 0 H ARG A 103 -6.860 14.402 24.761 1.00 0.00 H new ATOM 0 HA ARG A 103 -7.166 12.573 22.870 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.397 15.338 23.054 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.938 14.171 21.864 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -9.548 12.586 23.645 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -8.921 13.678 24.865 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.224 14.131 24.898 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -10.588 15.424 23.901 1.00 0.00 H new ATOM 0 HE ARG A 103 -11.226 13.385 22.093 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -12.909 15.275 24.553 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -14.463 15.195 23.717 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -13.226 13.286 21.025 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -14.642 14.074 21.728 1.00 0.00 H new ATOM 1742 N LEU A 104 -5.818 13.022 20.843 1.00 0.00 N ATOM 1743 CA LEU A 104 -5.122 13.237 19.579 1.00 0.00 C ATOM 1744 C LEU A 104 -6.036 13.914 18.563 1.00 0.00 C ATOM 1745 O LEU A 104 -5.580 14.689 17.723 1.00 0.00 O ATOM 1746 CB LEU A 104 -4.616 11.907 19.020 1.00 0.00 C ATOM 1747 CG LEU A 104 -3.338 11.974 18.182 1.00 0.00 C ATOM 1748 CD1 LEU A 104 -2.722 10.591 18.037 1.00 0.00 C ATOM 1749 CD2 LEU A 104 -3.628 12.577 16.815 1.00 0.00 C ATOM 0 H LEU A 104 -5.825 12.053 21.161 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.271 13.892 19.768 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.444 11.227 19.854 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.405 11.469 18.409 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.622 12.616 18.696 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.814 10.658 17.438 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.478 10.196 19.023 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.432 9.926 17.546 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.708 12.617 16.232 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.361 11.961 16.294 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.023 13.585 16.939 1.00 0.00 H new ATOM 1761 N GLU A 105 -7.329 13.616 18.647 1.00 0.00 N ATOM 1762 CA GLU A 105 -8.307 14.197 17.734 1.00 0.00 C ATOM 1763 C GLU A 105 -7.999 15.669 17.472 1.00 0.00 C ATOM 1764 O GLU A 105 -8.272 16.188 16.389 1.00 0.00 O ATOM 1765 CB GLU A 105 -9.719 14.055 18.306 1.00 0.00 C ATOM 1766 CG GLU A 105 -10.156 12.612 18.495 1.00 0.00 C ATOM 1767 CD GLU A 105 -10.671 11.986 17.213 1.00 0.00 C ATOM 1768 OE1 GLU A 105 -10.172 12.355 16.130 1.00 0.00 O ATOM 1769 OE2 GLU A 105 -11.573 11.125 17.294 1.00 0.00 O ATOM 0 H GLU A 105 -7.723 12.977 19.337 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.249 13.657 16.789 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.767 14.569 19.266 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.423 14.555 17.641 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.315 12.027 18.868 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.936 12.569 19.255 1.00 0.00 H new ATOM 1776 N HIS A 106 -7.430 16.335 18.471 1.00 0.00 N ATOM 1777 CA HIS A 106 -7.084 17.747 18.350 1.00 0.00 C ATOM 1778 C HIS A 106 -6.361 18.018 17.034 1.00 0.00 C ATOM 1779 O HIS A 106 -6.657 18.991 16.339 1.00 0.00 O ATOM 1780 CB HIS A 106 -6.210 18.183 19.526 1.00 0.00 C ATOM 1781 CG HIS A 106 -6.378 19.625 19.895 1.00 0.00 C ATOM 1782 ND1 HIS A 106 -5.957 20.662 19.091 1.00 0.00 N ATOM 1783 CD2 HIS A 106 -6.928 20.199 20.991 1.00 0.00 C ATOM 1784 CE1 HIS A 106 -6.239 21.813 19.676 1.00 0.00 C ATOM 1785 NE2 HIS A 106 -6.829 21.559 20.830 1.00 0.00 N ATOM 0 H HIS A 106 -7.199 15.920 19.374 1.00 0.00 H new ATOM 0 HA HIS A 106 -8.008 18.325 18.362 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -6.446 17.565 20.392 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.164 17.999 19.279 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -7.363 19.683 21.834 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -6.024 22.794 19.278 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -7.158 22.260 21.494 1.00 0.00 H new ATOM 1794 N LEU A 107 -5.411 17.152 16.698 1.00 0.00 N ATOM 1795 CA LEU A 107 -4.643 17.298 15.466 1.00 0.00 C ATOM 1796 C LEU A 107 -5.415 16.741 14.275 1.00 0.00 C ATOM 1797 O LEU A 107 -4.839 16.106 13.392 1.00 0.00 O ATOM 1798 CB LEU A 107 -3.296 16.586 15.594 1.00 0.00 C ATOM 1799 CG LEU A 107 -2.308 17.192 16.591 1.00 0.00 C ATOM 1800 CD1 LEU A 107 -1.364 16.125 17.123 1.00 0.00 C ATOM 1801 CD2 LEU A 107 -1.525 18.325 15.945 1.00 0.00 C ATOM 0 H LEU A 107 -5.154 16.341 17.261 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.470 18.361 15.298 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.481 15.551 15.880 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.824 16.566 14.612 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.872 17.600 17.430 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.668 16.575 17.831 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.940 15.347 17.625 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -0.806 15.687 16.295 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -0.827 18.744 16.670 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.972 17.942 15.087 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.215 19.102 15.614 1.00 0.00 H new ATOM 1813 N GLU A 108 -6.722 16.984 14.256 1.00 0.00 N ATOM 1814 CA GLU A 108 -7.572 16.507 13.172 1.00 0.00 C ATOM 1815 C GLU A 108 -7.323 17.303 11.894 1.00 0.00 C ATOM 1816 O GLU A 108 -7.136 16.731 10.820 1.00 0.00 O ATOM 1817 CB GLU A 108 -9.047 16.607 13.568 1.00 0.00 C ATOM 1818 CG GLU A 108 -10.005 16.335 12.421 1.00 0.00 C ATOM 1819 CD GLU A 108 -10.335 14.863 12.273 1.00 0.00 C ATOM 1820 OE1 GLU A 108 -10.682 14.228 13.292 1.00 0.00 O ATOM 1821 OE2 GLU A 108 -10.248 14.345 11.140 1.00 0.00 O ATOM 0 H GLU A 108 -7.215 17.508 14.979 1.00 0.00 H new ATOM 0 HA GLU A 108 -7.324 15.463 12.984 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.247 15.900 14.373 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.241 17.604 13.964 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -10.926 16.896 12.581 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.567 16.700 11.492 1.00 0.00 H new ATOM 1828 N SER A 109 -7.322 18.627 12.019 1.00 0.00 N ATOM 1829 CA SER A 109 -7.100 19.502 10.875 1.00 0.00 C ATOM 1830 C SER A 109 -5.635 19.920 10.786 1.00 0.00 C ATOM 1831 O SER A 109 -5.052 19.949 9.703 1.00 0.00 O ATOM 1832 CB SER A 109 -7.990 20.743 10.975 1.00 0.00 C ATOM 1833 OG SER A 109 -9.349 20.415 10.744 1.00 0.00 O ATOM 0 H SER A 109 -7.473 19.116 12.901 1.00 0.00 H new ATOM 0 HA SER A 109 -7.358 18.949 9.972 1.00 0.00 H new ATOM 0 HB2 SER A 109 -7.884 21.192 11.962 1.00 0.00 H new ATOM 0 HB3 SER A 109 -7.664 21.488 10.249 1.00 0.00 H new ATOM 0 HG SER A 109 -9.897 21.224 10.815 1.00 0.00 H new ATOM 1839 N GLN A 110 -5.047 20.242 11.934 1.00 0.00 N ATOM 1840 CA GLN A 110 -3.651 20.658 11.986 1.00 0.00 C ATOM 1841 C GLN A 110 -2.824 19.923 10.937 1.00 0.00 C ATOM 1842 O GLN A 110 -2.017 20.530 10.233 1.00 0.00 O ATOM 1843 CB GLN A 110 -3.073 20.403 13.379 1.00 0.00 C ATOM 1844 CG GLN A 110 -1.718 21.056 13.605 1.00 0.00 C ATOM 1845 CD GLN A 110 -1.762 22.562 13.438 1.00 0.00 C ATOM 1846 OE1 GLN A 110 -2.835 23.166 13.423 1.00 0.00 O ATOM 1847 NE2 GLN A 110 -0.592 23.178 13.313 1.00 0.00 N ATOM 0 H GLN A 110 -5.516 20.223 12.840 1.00 0.00 H new ATOM 0 HA GLN A 110 -3.608 21.726 11.772 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.774 20.772 14.127 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -2.979 19.328 13.533 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -1.366 20.815 14.608 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -0.996 20.637 12.904 1.00 0.00 H new ATOM 0 HE21 GLN A 110 0.273 22.638 13.331 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -0.559 24.191 13.199 1.00 0.00 H new ATOM 1856 N GLU A 111 -3.031 18.614 10.838 1.00 0.00 N ATOM 1857 CA GLU A 111 -2.302 17.797 9.874 1.00 0.00 C ATOM 1858 C GLU A 111 -2.537 18.295 8.451 1.00 0.00 C ATOM 1859 O GLU A 111 -1.594 18.642 7.739 1.00 0.00 O ATOM 1860 CB GLU A 111 -2.727 16.332 9.990 1.00 0.00 C ATOM 1861 CG GLU A 111 -2.379 15.701 11.328 1.00 0.00 C ATOM 1862 CD GLU A 111 -3.163 14.430 11.595 1.00 0.00 C ATOM 1863 OE1 GLU A 111 -4.284 14.300 11.061 1.00 0.00 O ATOM 1864 OE2 GLU A 111 -2.653 13.565 12.338 1.00 0.00 O ATOM 0 H GLU A 111 -3.696 18.097 11.412 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.238 17.878 10.098 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.803 16.261 9.834 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.251 15.760 9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.312 15.478 11.354 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.574 16.418 12.125 1.00 0.00 H new ATOM 1871 N LEU A 112 -3.801 18.327 8.043 1.00 0.00 N ATOM 1872 CA LEU A 112 -4.161 18.782 6.704 1.00 0.00 C ATOM 1873 C LEU A 112 -3.883 20.273 6.543 1.00 0.00 C ATOM 1874 O LEU A 112 -3.820 21.013 7.524 1.00 0.00 O ATOM 1875 CB LEU A 112 -5.638 18.494 6.427 1.00 0.00 C ATOM 1876 CG LEU A 112 -5.989 17.042 6.100 1.00 0.00 C ATOM 1877 CD1 LEU A 112 -7.497 16.847 6.092 1.00 0.00 C ATOM 1878 CD2 LEU A 112 -5.390 16.637 4.762 1.00 0.00 C ATOM 0 H LEU A 112 -4.593 18.044 8.619 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.549 18.237 5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.217 18.799 7.299 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.960 19.121 5.595 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.564 16.402 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.728 15.808 5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.901 17.096 7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.944 17.497 5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.650 15.601 4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.785 17.282 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.305 16.738 4.803 1.00 0.00 H new ATOM 1890 N SER A 113 -3.718 20.707 5.297 1.00 0.00 N ATOM 1891 CA SER A 113 -3.445 22.109 5.007 1.00 0.00 C ATOM 1892 C SER A 113 -4.736 22.863 4.700 1.00 0.00 C ATOM 1893 O SER A 113 -5.310 22.720 3.622 1.00 0.00 O ATOM 1894 CB SER A 113 -2.479 22.229 3.826 1.00 0.00 C ATOM 1895 OG SER A 113 -1.305 21.467 4.049 1.00 0.00 O ATOM 0 H SER A 113 -3.769 20.108 4.473 1.00 0.00 H new ATOM 0 HA SER A 113 -2.986 22.554 5.890 1.00 0.00 H new ATOM 0 HB2 SER A 113 -2.970 21.888 2.914 1.00 0.00 H new ATOM 0 HB3 SER A 113 -2.214 23.275 3.674 1.00 0.00 H new ATOM 0 HG SER A 113 -0.705 21.559 3.280 1.00 0.00 H new ATOM 1901 N GLY A 114 -5.186 23.666 5.659 1.00 0.00 N ATOM 1902 CA GLY A 114 -6.406 24.430 5.474 1.00 0.00 C ATOM 1903 C GLY A 114 -6.489 25.625 6.403 1.00 0.00 C ATOM 1904 O GLY A 114 -5.477 26.129 6.892 1.00 0.00 O ATOM 0 H GLY A 114 -4.728 23.801 6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.463 24.772 4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.266 23.782 5.643 1.00 0.00 H new ATOM 1908 N PRO A 115 -7.718 26.097 6.658 1.00 0.00 N ATOM 1909 CA PRO A 115 -7.957 27.247 7.536 1.00 0.00 C ATOM 1910 C PRO A 115 -7.670 26.929 8.999 1.00 0.00 C ATOM 1911 O PRO A 115 -7.869 27.769 9.877 1.00 0.00 O ATOM 1912 CB PRO A 115 -9.446 27.542 7.335 1.00 0.00 C ATOM 1913 CG PRO A 115 -10.036 26.242 6.908 1.00 0.00 C ATOM 1914 CD PRO A 115 -8.968 25.546 6.110 1.00 0.00 C ATOM 0 HA PRO A 115 -7.305 28.087 7.295 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -9.906 27.902 8.255 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -9.598 28.313 6.580 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -10.330 25.645 7.771 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -10.932 26.398 6.308 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.017 24.464 6.231 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.065 25.752 5.044 1.00 0.00 H new ATOM 1922 N SER A 116 -7.199 25.713 9.254 1.00 0.00 N ATOM 1923 CA SER A 116 -6.887 25.283 10.612 1.00 0.00 C ATOM 1924 C SER A 116 -6.353 26.447 11.441 1.00 0.00 C ATOM 1925 O SER A 116 -5.512 27.219 10.979 1.00 0.00 O ATOM 1926 CB SER A 116 -5.862 24.147 10.588 1.00 0.00 C ATOM 1927 OG SER A 116 -6.018 23.296 11.710 1.00 0.00 O ATOM 0 H SER A 116 -7.025 25.008 8.538 1.00 0.00 H new ATOM 0 HA SER A 116 -7.807 24.923 11.073 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.976 23.569 9.671 1.00 0.00 H new ATOM 0 HB3 SER A 116 -4.854 24.562 10.580 1.00 0.00 H new ATOM 0 HG SER A 116 -5.190 23.291 12.234 1.00 0.00 H new ATOM 1933 N SER A 117 -6.847 26.568 12.669 1.00 0.00 N ATOM 1934 CA SER A 117 -6.423 27.640 13.562 1.00 0.00 C ATOM 1935 C SER A 117 -4.903 27.769 13.573 1.00 0.00 C ATOM 1936 O SER A 117 -4.186 26.783 13.737 1.00 0.00 O ATOM 1937 CB SER A 117 -6.934 27.382 14.981 1.00 0.00 C ATOM 1938 OG SER A 117 -6.370 26.199 15.519 1.00 0.00 O ATOM 0 H SER A 117 -7.541 25.937 13.068 1.00 0.00 H new ATOM 0 HA SER A 117 -6.847 28.574 13.194 1.00 0.00 H new ATOM 0 HB2 SER A 117 -6.686 28.230 15.620 1.00 0.00 H new ATOM 0 HB3 SER A 117 -8.021 27.298 14.970 1.00 0.00 H new ATOM 0 HG SER A 117 -6.711 26.057 16.427 1.00 0.00 H new ATOM 1944 N GLY A 118 -4.418 28.994 13.395 1.00 0.00 N ATOM 1945 CA GLY A 118 -2.987 29.232 13.387 1.00 0.00 C ATOM 1946 C GLY A 118 -2.393 29.146 11.995 1.00 0.00 C ATOM 1947 O GLY A 118 -1.293 28.623 11.813 1.00 0.00 O ATOM 0 H GLY A 118 -4.991 29.826 13.256 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.783 30.218 13.805 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -2.497 28.504 14.033 1.00 0.00 H new TER 1951 GLY A 118