USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 935 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 SER OG : rot -92:sc= 0.777 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 80 THR OG1 : rot -170:sc= 0 USER MOD Set 2.2: A 86 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 28 THR OG1 : rot -16:sc= 0.8 USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 30 LYS NZ :NH3+ 165:sc= -0.0582 (180deg=-0.282) USER MOD Set 4.2: A 44 GLN : amide:sc= 0 K(o=-0.058,f=-0.71) USER MOD Set 5.1: A 17 THR OG1 : rot 31:sc= 0.528 USER MOD Set 5.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= -9.17! C(o=-9.2!,f=-4.4!) USER MOD Single : A 1 ASN N :NH3+ 146:sc= 0.0273 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -0.0943 (180deg=-0.432) USER MOD Single : A 25 THR OG1 : rot -91:sc= 0.0529 USER MOD Single : A 27 THR OG1 : rot -150:sc=-0.00548 USER MOD Single : A 31 TYR OH : rot 120:sc= 0.232 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 30:sc= -2.72! USER MOD Single : A 40 SER OG : rot 160:sc= 0.0829 USER MOD Single : A 41 HIS : no HD1:sc= -1.2! K(o=-1.2!,f=-0.086) USER MOD Single : A 42 SER OG : rot -28:sc= 0.324 USER MOD Single : A 43 THR OG1 : rot -26:sc= 0.298 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.896 USER MOD Single : A 49 ASN : amide:sc= -11.2! C(o=-11!,f=-9.8!) USER MOD Single : A 50 SER OG : rot -60:sc= 0.236 USER MOD Single : A 56 TYR OH : rot 20:sc= 0.0366 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00274 USER MOD Single : A 62 TYR OH : rot 76:sc= 0.343 USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= -0.0824 (180deg=-0.598) USER MOD Single : A 67 HIS : no HD1:sc= 0.0977 K(o=0.098,f=-2.7!) USER MOD Single : A 73 ASN : amide:sc= -0.275 X(o=-0.28,f=-0.0067) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -139:sc= -0.479 (180deg=-3.84!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -6.7! K(o=-6.7!,f=-2.2) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc=-0.00833 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -105:sc= 1.29 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.00028) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 32.819 -1.348 -1.008 1.00 0.00 N ATOM 21 CA ASN A 1 31.762 -0.398 -1.335 1.00 0.00 C ATOM 22 C ASN A 1 30.808 -0.971 -2.375 1.00 0.00 C ATOM 23 O ASN A 1 31.214 -1.735 -3.252 1.00 0.00 O ATOM 24 CB ASN A 1 32.363 0.913 -1.848 1.00 0.00 C ATOM 25 CG ASN A 1 32.402 1.987 -0.780 1.00 0.00 C ATOM 26 OD1 ASN A 1 33.306 2.821 -0.751 1.00 0.00 O ATOM 27 ND2 ASN A 1 31.411 1.973 0.104 1.00 0.00 N ATOM 0 H1 ASN A 1 33.699 -0.832 -0.806 1.00 0.00 H new ATOM 0 H2 ASN A 1 32.542 -1.901 -0.172 1.00 0.00 H new ATOM 0 H3 ASN A 1 32.971 -1.989 -1.813 1.00 0.00 H new ATOM 0 HA ASN A 1 31.198 -0.201 -0.423 1.00 0.00 H new ATOM 0 HB2 ASN A 1 33.374 0.729 -2.211 1.00 0.00 H new ATOM 0 HB3 ASN A 1 31.780 1.269 -2.697 1.00 0.00 H new ATOM 0 HD21 ASN A 1 31.379 2.673 0.845 1.00 0.00 H new ATOM 0 HD22 ASN A 1 30.682 1.262 0.042 1.00 0.00 H new ATOM 34 N CYS A 2 29.536 -0.597 -2.274 1.00 0.00 N ATOM 35 CA CYS A 2 28.522 -1.068 -3.208 1.00 0.00 C ATOM 36 C CYS A 2 28.303 -0.051 -4.319 1.00 0.00 C ATOM 37 O CYS A 2 28.799 1.074 -4.250 1.00 0.00 O ATOM 38 CB CYS A 2 27.199 -1.331 -2.482 1.00 0.00 C ATOM 39 SG CYS A 2 27.171 -2.863 -1.496 1.00 0.00 S ATOM 0 H CYS A 2 29.184 0.032 -1.553 1.00 0.00 H new ATOM 0 HA CYS A 2 28.877 -2.001 -3.646 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.985 -0.487 -1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 2 26.397 -1.373 -3.219 1.00 0.00 H new ATOM 44 N GLY A 3 27.558 -0.450 -5.342 1.00 0.00 N ATOM 45 CA GLY A 3 27.274 0.455 -6.439 1.00 0.00 C ATOM 46 C GLY A 3 26.345 1.575 -6.010 1.00 0.00 C ATOM 47 O GLY A 3 25.557 1.395 -5.083 1.00 0.00 O ATOM 0 H GLY A 3 27.147 -1.379 -5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 3 28.206 0.878 -6.814 1.00 0.00 H new ATOM 0 HA3 GLY A 3 26.822 -0.099 -7.261 1.00 0.00 H new ATOM 51 N PRO A 4 26.420 2.751 -6.659 1.00 0.00 N ATOM 52 CA PRO A 4 25.566 3.892 -6.318 1.00 0.00 C ATOM 53 C PRO A 4 24.111 3.478 -6.103 1.00 0.00 C ATOM 54 O PRO A 4 23.522 2.799 -6.943 1.00 0.00 O ATOM 55 CB PRO A 4 25.706 4.801 -7.536 1.00 0.00 C ATOM 56 CG PRO A 4 27.080 4.522 -8.044 1.00 0.00 C ATOM 57 CD PRO A 4 27.335 3.061 -7.776 1.00 0.00 C ATOM 0 HA PRO A 4 25.858 4.369 -5.382 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.950 4.578 -8.289 1.00 0.00 H new ATOM 0 HB3 PRO A 4 25.587 5.850 -7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 4 27.154 4.742 -9.109 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.817 5.146 -7.538 1.00 0.00 H new ATOM 0 HD2 PRO A 4 27.121 2.449 -8.652 1.00 0.00 H new ATOM 0 HD3 PRO A 4 28.375 2.878 -7.506 1.00 0.00 H new ATOM 65 N PRO A 5 23.519 3.886 -4.964 1.00 0.00 N ATOM 66 CA PRO A 5 22.134 3.547 -4.615 1.00 0.00 C ATOM 67 C PRO A 5 21.160 3.679 -5.784 1.00 0.00 C ATOM 68 O PRO A 5 20.813 4.786 -6.195 1.00 0.00 O ATOM 69 CB PRO A 5 21.803 4.558 -3.522 1.00 0.00 C ATOM 70 CG PRO A 5 23.105 4.795 -2.843 1.00 0.00 C ATOM 71 CD PRO A 5 24.153 4.718 -3.921 1.00 0.00 C ATOM 0 HA PRO A 5 22.040 2.505 -4.310 1.00 0.00 H new ATOM 0 HB2 PRO A 5 21.398 5.479 -3.940 1.00 0.00 H new ATOM 0 HB3 PRO A 5 21.057 4.167 -2.830 1.00 0.00 H new ATOM 0 HG2 PRO A 5 23.119 5.769 -2.354 1.00 0.00 H new ATOM 0 HG3 PRO A 5 23.284 4.048 -2.070 1.00 0.00 H new ATOM 0 HD2 PRO A 5 24.412 5.707 -4.300 1.00 0.00 H new ATOM 0 HD3 PRO A 5 25.074 4.266 -3.553 1.00 0.00 H new ATOM 79 N PRO A 6 20.716 2.536 -6.335 1.00 0.00 N ATOM 80 CA PRO A 6 19.762 2.505 -7.449 1.00 0.00 C ATOM 81 C PRO A 6 18.404 3.060 -7.044 1.00 0.00 C ATOM 82 O PRO A 6 18.220 3.630 -5.969 1.00 0.00 O ATOM 83 CB PRO A 6 19.625 1.012 -7.772 1.00 0.00 C ATOM 84 CG PRO A 6 20.089 0.299 -6.550 1.00 0.00 C ATOM 85 CD PRO A 6 21.122 1.183 -5.920 1.00 0.00 C ATOM 0 HA PRO A 6 20.103 3.111 -8.289 1.00 0.00 H new ATOM 0 HB2 PRO A 6 18.593 0.754 -8.009 1.00 0.00 H new ATOM 0 HB3 PRO A 6 20.228 0.740 -8.638 1.00 0.00 H new ATOM 0 HG2 PRO A 6 19.260 0.119 -5.865 1.00 0.00 H new ATOM 0 HG3 PRO A 6 20.510 -0.674 -6.803 1.00 0.00 H new ATOM 0 HD2 PRO A 6 21.129 1.081 -4.835 1.00 0.00 H new ATOM 0 HD3 PRO A 6 22.125 0.940 -6.270 1.00 0.00 H new ATOM 93 N THR A 7 17.463 2.861 -7.962 1.00 0.00 N ATOM 94 CA THR A 7 16.090 3.300 -7.789 1.00 0.00 C ATOM 95 C THR A 7 15.228 2.118 -7.370 1.00 0.00 C ATOM 96 O THR A 7 15.300 1.050 -7.978 1.00 0.00 O ATOM 97 CB THR A 7 15.525 3.903 -9.090 1.00 0.00 C ATOM 98 OG1 THR A 7 16.342 4.998 -9.518 1.00 0.00 O ATOM 99 CG2 THR A 7 14.095 4.382 -8.892 1.00 0.00 C ATOM 0 H THR A 7 17.636 2.388 -8.849 1.00 0.00 H new ATOM 0 HA THR A 7 16.076 4.071 -7.018 1.00 0.00 H new ATOM 0 HB THR A 7 15.528 3.125 -9.853 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.977 5.374 -10.346 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.720 4.803 -9.825 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.468 3.542 -8.595 1.00 0.00 H new ATOM 0 HG23 THR A 7 14.071 5.145 -8.114 1.00 0.00 H new ATOM 107 N LEU A 8 14.417 2.300 -6.340 1.00 0.00 N ATOM 108 CA LEU A 8 13.556 1.224 -5.874 1.00 0.00 C ATOM 109 C LEU A 8 12.095 1.533 -6.158 1.00 0.00 C ATOM 110 O LEU A 8 11.536 2.467 -5.593 1.00 0.00 O ATOM 111 CB LEU A 8 13.752 1.000 -4.376 1.00 0.00 C ATOM 112 CG LEU A 8 15.208 0.914 -3.918 1.00 0.00 C ATOM 113 CD1 LEU A 8 15.281 0.518 -2.453 1.00 0.00 C ATOM 114 CD2 LEU A 8 15.983 -0.068 -4.779 1.00 0.00 C ATOM 0 H LEU A 8 14.337 3.171 -5.816 1.00 0.00 H new ATOM 0 HA LEU A 8 13.830 0.317 -6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.265 1.812 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.243 0.079 -4.093 1.00 0.00 H new ATOM 0 HG LEU A 8 15.664 1.898 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.324 0.461 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.763 1.263 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.808 -0.454 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 8 17.017 -0.115 -4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.530 -1.056 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.959 0.261 -5.818 1.00 0.00 H new ATOM 126 N SER A 9 11.477 0.755 -7.041 1.00 0.00 N ATOM 127 CA SER A 9 10.073 0.954 -7.368 1.00 0.00 C ATOM 128 C SER A 9 9.205 0.632 -6.162 1.00 0.00 C ATOM 129 O SER A 9 8.148 1.231 -5.965 1.00 0.00 O ATOM 130 CB SER A 9 9.670 0.077 -8.555 1.00 0.00 C ATOM 131 OG SER A 9 10.444 0.382 -9.702 1.00 0.00 O ATOM 0 H SER A 9 11.925 -0.014 -7.539 1.00 0.00 H new ATOM 0 HA SER A 9 9.925 1.999 -7.642 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.799 -0.974 -8.295 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.613 0.223 -8.777 1.00 0.00 H new ATOM 0 HG SER A 9 10.168 -0.194 -10.446 1.00 0.00 H new ATOM 137 N PHE A 10 9.662 -0.321 -5.355 1.00 0.00 N ATOM 138 CA PHE A 10 8.934 -0.719 -4.158 1.00 0.00 C ATOM 139 C PHE A 10 9.130 0.298 -3.042 1.00 0.00 C ATOM 140 O PHE A 10 8.516 0.190 -1.984 1.00 0.00 O ATOM 141 CB PHE A 10 9.366 -2.109 -3.682 1.00 0.00 C ATOM 142 CG PHE A 10 10.770 -2.480 -4.064 1.00 0.00 C ATOM 143 CD1 PHE A 10 11.848 -2.021 -3.326 1.00 0.00 C ATOM 144 CD2 PHE A 10 11.008 -3.292 -5.160 1.00 0.00 C ATOM 145 CE1 PHE A 10 13.139 -2.367 -3.674 1.00 0.00 C ATOM 146 CE2 PHE A 10 12.297 -3.642 -5.513 1.00 0.00 C ATOM 147 CZ PHE A 10 13.364 -3.178 -4.770 1.00 0.00 C ATOM 0 H PHE A 10 10.532 -0.830 -5.509 1.00 0.00 H new ATOM 0 HA PHE A 10 7.876 -0.758 -4.416 1.00 0.00 H new ATOM 0 HB2 PHE A 10 9.272 -2.155 -2.597 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.681 -2.851 -4.093 1.00 0.00 H new ATOM 0 HD1 PHE A 10 11.677 -1.386 -2.469 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.177 -3.656 -5.746 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.972 -2.004 -3.090 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.470 -4.278 -6.369 1.00 0.00 H new ATOM 0 HZ PHE A 10 14.373 -3.448 -5.045 1.00 0.00 H new ATOM 157 N ALA A 11 9.997 1.279 -3.278 1.00 0.00 N ATOM 158 CA ALA A 11 10.255 2.318 -2.286 1.00 0.00 C ATOM 159 C ALA A 11 10.618 3.645 -2.948 1.00 0.00 C ATOM 160 O ALA A 11 10.336 3.891 -4.119 1.00 0.00 O ATOM 161 CB ALA A 11 11.369 1.873 -1.351 1.00 0.00 C ATOM 0 H ALA A 11 10.530 1.376 -4.142 1.00 0.00 H new ATOM 0 HA ALA A 11 9.342 2.474 -1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.557 2.652 -0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.073 0.956 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.277 1.692 -1.927 1.00 0.00 H new ATOM 167 N ALA A 12 11.221 4.502 -2.129 1.00 0.00 N ATOM 168 CA ALA A 12 11.631 5.829 -2.567 1.00 0.00 C ATOM 169 C ALA A 12 12.513 6.487 -1.508 1.00 0.00 C ATOM 170 O ALA A 12 12.229 6.395 -0.316 1.00 0.00 O ATOM 171 CB ALA A 12 10.419 6.697 -2.870 1.00 0.00 C ATOM 0 H ALA A 12 11.437 4.298 -1.153 1.00 0.00 H new ATOM 0 HA ALA A 12 12.209 5.725 -3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.750 7.683 -3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.828 6.234 -3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.809 6.797 -1.972 1.00 0.00 H new ATOM 177 N PRO A 13 13.595 7.164 -1.933 1.00 0.00 N ATOM 178 CA PRO A 13 14.527 7.825 -1.012 1.00 0.00 C ATOM 179 C PRO A 13 13.812 8.635 0.065 1.00 0.00 C ATOM 180 O PRO A 13 12.744 9.202 -0.169 1.00 0.00 O ATOM 181 CB PRO A 13 15.327 8.744 -1.935 1.00 0.00 C ATOM 182 CG PRO A 13 15.318 8.048 -3.252 1.00 0.00 C ATOM 183 CD PRO A 13 13.987 7.350 -3.344 1.00 0.00 C ATOM 0 HA PRO A 13 15.136 7.109 -0.460 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.871 9.732 -2.005 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.344 8.888 -1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.443 8.758 -4.069 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.139 7.334 -3.321 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.257 7.949 -3.887 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.069 6.397 -3.866 1.00 0.00 H new ATOM 191 N MET A 14 14.421 8.681 1.250 1.00 0.00 N ATOM 192 CA MET A 14 13.851 9.418 2.372 1.00 0.00 C ATOM 193 C MET A 14 14.949 9.971 3.274 1.00 0.00 C ATOM 194 O MET A 14 14.714 10.871 4.080 1.00 0.00 O ATOM 195 CB MET A 14 12.915 8.513 3.176 1.00 0.00 C ATOM 196 CG MET A 14 12.177 9.232 4.294 1.00 0.00 C ATOM 197 SD MET A 14 11.067 10.514 3.683 1.00 0.00 S ATOM 198 CE MET A 14 10.295 11.046 5.208 1.00 0.00 C ATOM 0 H MET A 14 15.306 8.217 1.455 1.00 0.00 H new ATOM 0 HA MET A 14 13.280 10.257 1.975 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.186 8.068 2.499 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.494 7.695 3.603 1.00 0.00 H new ATOM 0 HG2 MET A 14 11.604 8.506 4.871 1.00 0.00 H new ATOM 0 HG3 MET A 14 12.902 9.679 4.974 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.579 11.840 4.996 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.778 10.204 5.667 1.00 0.00 H new ATOM 0 HE3 MET A 14 11.058 11.419 5.891 1.00 0.00 H new ATOM 208 N ASP A 15 16.149 9.425 3.127 1.00 0.00 N ATOM 209 CA ASP A 15 17.294 9.858 3.919 1.00 0.00 C ATOM 210 C ASP A 15 18.577 9.737 3.098 1.00 0.00 C ATOM 211 O ASP A 15 18.717 10.402 2.072 1.00 0.00 O ATOM 212 CB ASP A 15 17.392 9.036 5.208 1.00 0.00 C ATOM 213 CG ASP A 15 18.386 9.619 6.194 1.00 0.00 C ATOM 214 OD1 ASP A 15 18.038 10.610 6.872 1.00 0.00 O ATOM 215 OD2 ASP A 15 19.512 9.085 6.289 1.00 0.00 O ATOM 0 H ASP A 15 16.356 8.678 2.464 1.00 0.00 H new ATOM 0 HA ASP A 15 17.158 10.904 4.193 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.409 8.982 5.676 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.685 8.015 4.963 1.00 0.00 H new ATOM 220 N ILE A 16 19.502 8.884 3.551 1.00 0.00 N ATOM 221 CA ILE A 16 20.771 8.661 2.861 1.00 0.00 C ATOM 222 C ILE A 16 21.318 9.942 2.262 1.00 0.00 C ATOM 223 O ILE A 16 21.008 10.292 1.125 1.00 0.00 O ATOM 224 CB ILE A 16 20.664 7.588 1.748 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.893 7.641 0.834 1.00 0.00 C ATOM 226 CG2 ILE A 16 19.384 7.757 0.939 1.00 0.00 C ATOM 227 CD1 ILE A 16 21.890 6.592 -0.257 1.00 0.00 C ATOM 0 H ILE A 16 19.390 8.333 4.402 1.00 0.00 H new ATOM 0 HA ILE A 16 21.458 8.297 3.625 1.00 0.00 H new ATOM 0 HB ILE A 16 20.628 6.609 2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.951 8.628 0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.790 7.518 1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 16 19.338 6.990 0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.521 7.660 1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 16 19.376 8.742 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.791 6.694 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.865 5.599 0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 16 21.012 6.727 -0.889 1.00 0.00 H new ATOM 239 N THR A 17 22.116 10.656 3.040 1.00 0.00 N ATOM 240 CA THR A 17 22.724 11.879 2.548 1.00 0.00 C ATOM 241 C THR A 17 23.393 11.604 1.212 1.00 0.00 C ATOM 242 O THR A 17 24.331 10.810 1.130 1.00 0.00 O ATOM 243 CB THR A 17 23.768 12.442 3.526 1.00 0.00 C ATOM 244 OG1 THR A 17 24.753 11.445 3.822 1.00 0.00 O ATOM 245 CG2 THR A 17 23.107 12.911 4.813 1.00 0.00 C ATOM 0 H THR A 17 22.355 10.413 4.002 1.00 0.00 H new ATOM 0 HA THR A 17 21.933 12.621 2.440 1.00 0.00 H new ATOM 0 HB THR A 17 24.251 13.297 3.053 1.00 0.00 H new ATOM 0 HG1 THR A 17 24.871 10.860 3.044 1.00 0.00 H new ATOM 0 HG21 THR A 17 23.866 13.305 5.489 1.00 0.00 H new ATOM 0 HG22 THR A 17 22.382 13.693 4.586 1.00 0.00 H new ATOM 0 HG23 THR A 17 22.599 12.072 5.288 1.00 0.00 H new ATOM 253 N LEU A 18 22.903 12.252 0.163 1.00 0.00 N ATOM 254 CA LEU A 18 23.440 12.053 -1.167 1.00 0.00 C ATOM 255 C LEU A 18 24.769 12.780 -1.342 1.00 0.00 C ATOM 256 O LEU A 18 25.060 13.319 -2.411 1.00 0.00 O ATOM 257 CB LEU A 18 22.439 12.544 -2.215 1.00 0.00 C ATOM 258 CG LEU A 18 21.451 11.492 -2.724 1.00 0.00 C ATOM 259 CD1 LEU A 18 22.192 10.274 -3.251 1.00 0.00 C ATOM 260 CD2 LEU A 18 20.478 11.093 -1.627 1.00 0.00 C ATOM 0 H LEU A 18 22.134 12.920 0.213 1.00 0.00 H new ATOM 0 HA LEU A 18 23.615 10.986 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 18 21.873 13.374 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 18 22.994 12.938 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 18 20.880 11.928 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.473 9.537 -3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 18 22.844 10.572 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 18 22.791 9.838 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.785 10.344 -2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 18 21.030 10.678 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.920 11.970 -1.299 1.00 0.00 H new ATOM 272 N THR A 19 25.575 12.779 -0.292 1.00 0.00 N ATOM 273 CA THR A 19 26.871 13.440 -0.318 1.00 0.00 C ATOM 274 C THR A 19 27.969 12.470 -0.740 1.00 0.00 C ATOM 275 O THR A 19 29.145 12.830 -0.796 1.00 0.00 O ATOM 276 CB THR A 19 27.215 14.030 1.061 1.00 0.00 C ATOM 277 OG1 THR A 19 27.473 12.976 1.995 1.00 0.00 O ATOM 278 CG2 THR A 19 26.070 14.893 1.571 1.00 0.00 C ATOM 0 H THR A 19 25.353 12.325 0.594 1.00 0.00 H new ATOM 0 HA THR A 19 26.810 14.248 -1.047 1.00 0.00 H new ATOM 0 HB THR A 19 28.106 14.649 0.959 1.00 0.00 H new ATOM 0 HG1 THR A 19 27.693 13.360 2.869 1.00 0.00 H new ATOM 0 HG21 THR A 19 26.330 15.302 2.547 1.00 0.00 H new ATOM 0 HG22 THR A 19 25.890 15.709 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 19 25.169 14.286 1.660 1.00 0.00 H new ATOM 286 N GLU A 20 27.570 11.238 -1.037 1.00 0.00 N ATOM 287 CA GLU A 20 28.509 10.204 -1.457 1.00 0.00 C ATOM 288 C GLU A 20 27.866 9.267 -2.473 1.00 0.00 C ATOM 289 O GLU A 20 26.655 9.045 -2.447 1.00 0.00 O ATOM 290 CB GLU A 20 28.992 9.403 -0.245 1.00 0.00 C ATOM 291 CG GLU A 20 30.054 10.117 0.577 1.00 0.00 C ATOM 292 CD GLU A 20 31.379 10.224 -0.153 1.00 0.00 C ATOM 293 OE1 GLU A 20 31.566 11.203 -0.905 1.00 0.00 O ATOM 294 OE2 GLU A 20 32.231 9.329 0.030 1.00 0.00 O ATOM 0 H GLU A 20 26.598 10.930 -0.994 1.00 0.00 H new ATOM 0 HA GLU A 20 29.363 10.692 -1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 20 28.139 9.180 0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 20 29.391 8.448 -0.587 1.00 0.00 H new ATOM 0 HG2 GLU A 20 29.701 11.117 0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 20 30.202 9.583 1.516 1.00 0.00 H new ATOM 301 N THR A 21 28.681 8.723 -3.369 1.00 0.00 N ATOM 302 CA THR A 21 28.191 7.802 -4.387 1.00 0.00 C ATOM 303 C THR A 21 28.463 6.363 -3.971 1.00 0.00 C ATOM 304 O THR A 21 27.978 5.417 -4.592 1.00 0.00 O ATOM 305 CB THR A 21 28.854 8.066 -5.751 1.00 0.00 C ATOM 306 OG1 THR A 21 29.143 9.463 -5.892 1.00 0.00 O ATOM 307 CG2 THR A 21 27.949 7.619 -6.888 1.00 0.00 C ATOM 0 H THR A 21 29.684 8.904 -3.411 1.00 0.00 H new ATOM 0 HA THR A 21 27.117 7.963 -4.484 1.00 0.00 H new ATOM 0 HB THR A 21 29.781 7.494 -5.796 1.00 0.00 H new ATOM 0 HG1 THR A 21 29.566 9.623 -6.761 1.00 0.00 H new ATOM 0 HG21 THR A 21 28.439 7.816 -7.842 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.749 6.551 -6.796 1.00 0.00 H new ATOM 0 HG23 THR A 21 27.009 8.169 -6.843 1.00 0.00 H new ATOM 315 N ARG A 22 29.246 6.215 -2.909 1.00 0.00 N ATOM 316 CA ARG A 22 29.600 4.905 -2.378 1.00 0.00 C ATOM 317 C ARG A 22 29.182 4.810 -0.918 1.00 0.00 C ATOM 318 O ARG A 22 29.099 5.826 -0.227 1.00 0.00 O ATOM 319 CB ARG A 22 31.100 4.669 -2.493 1.00 0.00 C ATOM 320 CG ARG A 22 31.620 4.679 -3.921 1.00 0.00 C ATOM 321 CD ARG A 22 33.124 4.461 -3.961 1.00 0.00 C ATOM 322 NE ARG A 22 33.635 4.409 -5.329 1.00 0.00 N ATOM 323 CZ ARG A 22 34.918 4.226 -5.628 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.814 4.081 -4.661 1.00 0.00 N ATOM 325 NH2 ARG A 22 35.306 4.187 -6.896 1.00 0.00 N ATOM 0 H ARG A 22 29.652 6.996 -2.394 1.00 0.00 H new ATOM 0 HA ARG A 22 29.078 4.144 -2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.623 5.436 -1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 22 31.343 3.710 -2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 22 31.122 3.900 -4.498 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.375 5.631 -4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 22 33.621 5.265 -3.419 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.369 3.531 -3.447 1.00 0.00 H new ATOM 0 HE ARG A 22 32.972 4.519 -6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 22 35.520 4.110 -3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.797 3.941 -4.894 1.00 0.00 H new ATOM 0 HH21 ARG A 22 34.620 4.297 -7.643 1.00 0.00 H new ATOM 0 HH22 ARG A 22 36.290 4.047 -7.124 1.00 0.00 H new ATOM 339 N PHE A 23 28.929 3.595 -0.441 1.00 0.00 N ATOM 340 CA PHE A 23 28.510 3.373 0.939 1.00 0.00 C ATOM 341 C PHE A 23 28.997 2.006 1.412 1.00 0.00 C ATOM 342 O PHE A 23 28.540 0.973 0.923 1.00 0.00 O ATOM 343 CB PHE A 23 26.986 3.469 1.050 1.00 0.00 C ATOM 344 CG PHE A 23 26.432 4.774 0.554 1.00 0.00 C ATOM 345 CD1 PHE A 23 26.231 4.982 -0.800 1.00 0.00 C ATOM 346 CD2 PHE A 23 26.129 5.796 1.438 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.741 6.182 -1.265 1.00 0.00 C ATOM 348 CE2 PHE A 23 25.636 7.002 0.979 1.00 0.00 C ATOM 349 CZ PHE A 23 25.443 7.196 -0.376 1.00 0.00 C ATOM 0 H PHE A 23 29.008 2.742 -0.995 1.00 0.00 H new ATOM 0 HA PHE A 23 28.949 4.142 1.575 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.536 2.653 0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.696 3.332 2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.461 4.193 -1.501 1.00 0.00 H new ATOM 0 HD2 PHE A 23 26.280 5.649 2.497 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.590 6.330 -2.324 1.00 0.00 H new ATOM 0 HE2 PHE A 23 25.402 7.792 1.677 1.00 0.00 H new ATOM 0 HZ PHE A 23 25.060 8.138 -0.739 1.00 0.00 H new ATOM 359 N LYS A 24 29.935 2.013 2.358 1.00 0.00 N ATOM 360 CA LYS A 24 30.520 0.779 2.881 1.00 0.00 C ATOM 361 C LYS A 24 29.471 -0.266 3.237 1.00 0.00 C ATOM 362 O LYS A 24 28.285 0.037 3.353 1.00 0.00 O ATOM 363 CB LYS A 24 31.384 1.066 4.106 1.00 0.00 C ATOM 364 CG LYS A 24 30.774 2.083 5.058 1.00 0.00 C ATOM 365 CD LYS A 24 31.664 2.328 6.265 1.00 0.00 C ATOM 366 CE LYS A 24 31.012 3.282 7.253 1.00 0.00 C ATOM 367 NZ LYS A 24 29.682 2.789 7.705 1.00 0.00 N ATOM 0 H LYS A 24 30.308 2.864 2.780 1.00 0.00 H new ATOM 0 HA LYS A 24 31.137 0.371 2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 24 31.556 0.134 4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.358 1.428 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.610 3.023 4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.798 1.730 5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 24 31.878 1.380 6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 24 32.619 2.739 5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 24 31.664 3.412 8.117 1.00 0.00 H new ATOM 0 HE3 LYS A 24 30.898 4.262 6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.408 3.281 8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.974 2.974 6.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 29.734 1.766 7.886 1.00 0.00 H new ATOM 381 N THR A 25 29.933 -1.497 3.421 1.00 0.00 N ATOM 382 CA THR A 25 29.055 -2.607 3.748 1.00 0.00 C ATOM 383 C THR A 25 28.433 -2.461 5.129 1.00 0.00 C ATOM 384 O THR A 25 27.644 -3.305 5.557 1.00 0.00 O ATOM 385 CB THR A 25 29.798 -3.942 3.694 1.00 0.00 C ATOM 386 OG1 THR A 25 31.160 -3.768 4.103 1.00 0.00 O ATOM 387 CG2 THR A 25 29.747 -4.553 2.296 1.00 0.00 C ATOM 0 H THR A 25 30.918 -1.750 3.348 1.00 0.00 H new ATOM 0 HA THR A 25 28.265 -2.592 2.998 1.00 0.00 H new ATOM 0 HB THR A 25 29.301 -4.628 4.380 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.715 -3.576 3.319 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.285 -5.501 2.293 1.00 0.00 H new ATOM 0 HG22 THR A 25 28.709 -4.724 2.011 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.211 -3.871 1.584 1.00 0.00 H new ATOM 395 N GLY A 26 28.785 -1.392 5.821 1.00 0.00 N ATOM 396 CA GLY A 26 28.247 -1.164 7.147 1.00 0.00 C ATOM 397 C GLY A 26 27.173 -0.102 7.139 1.00 0.00 C ATOM 398 O GLY A 26 26.444 0.068 8.116 1.00 0.00 O ATOM 0 H GLY A 26 29.433 -0.677 5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 26 27.836 -2.095 7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 26 29.051 -0.864 7.819 1.00 0.00 H new ATOM 402 N THR A 27 27.082 0.614 6.026 1.00 0.00 N ATOM 403 CA THR A 27 26.101 1.682 5.862 1.00 0.00 C ATOM 404 C THR A 27 24.677 1.137 5.893 1.00 0.00 C ATOM 405 O THR A 27 24.468 -0.074 5.885 1.00 0.00 O ATOM 406 CB THR A 27 26.304 2.428 4.532 1.00 0.00 C ATOM 407 OG1 THR A 27 25.685 3.720 4.594 1.00 0.00 O ATOM 408 CG2 THR A 27 25.707 1.636 3.379 1.00 0.00 C ATOM 0 H THR A 27 27.683 0.473 5.214 1.00 0.00 H new ATOM 0 HA THR A 27 26.248 2.370 6.695 1.00 0.00 H new ATOM 0 HB THR A 27 27.375 2.545 4.364 1.00 0.00 H new ATOM 0 HG1 THR A 27 25.390 3.985 3.698 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.860 2.179 2.447 1.00 0.00 H new ATOM 0 HG22 THR A 27 26.193 0.663 3.316 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.639 1.498 3.547 1.00 0.00 H new ATOM 416 N THR A 28 23.704 2.043 5.916 1.00 0.00 N ATOM 417 CA THR A 28 22.295 1.662 5.929 1.00 0.00 C ATOM 418 C THR A 28 21.410 2.856 5.586 1.00 0.00 C ATOM 419 O THR A 28 21.490 3.904 6.227 1.00 0.00 O ATOM 420 CB THR A 28 21.862 1.094 7.297 1.00 0.00 C ATOM 421 OG1 THR A 28 22.685 -0.021 7.656 1.00 0.00 O ATOM 422 CG2 THR A 28 20.404 0.659 7.266 1.00 0.00 C ATOM 0 H THR A 28 23.866 3.050 5.926 1.00 0.00 H new ATOM 0 HA THR A 28 22.175 0.883 5.176 1.00 0.00 H new ATOM 0 HB THR A 28 21.978 1.883 8.040 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.163 -0.343 6.864 1.00 0.00 H new ATOM 0 HG21 THR A 28 20.122 0.262 8.241 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.774 1.516 7.027 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.271 -0.113 6.508 1.00 0.00 H new ATOM 430 N LEU A 29 20.565 2.692 4.571 1.00 0.00 N ATOM 431 CA LEU A 29 19.689 3.771 4.128 1.00 0.00 C ATOM 432 C LEU A 29 18.295 3.637 4.729 1.00 0.00 C ATOM 433 O LEU A 29 17.942 2.593 5.279 1.00 0.00 O ATOM 434 CB LEU A 29 19.585 3.786 2.600 1.00 0.00 C ATOM 435 CG LEU A 29 20.813 3.267 1.845 1.00 0.00 C ATOM 436 CD1 LEU A 29 20.660 3.509 0.351 1.00 0.00 C ATOM 437 CD2 LEU A 29 22.085 3.914 2.363 1.00 0.00 C ATOM 0 H LEU A 29 20.469 1.825 4.042 1.00 0.00 H new ATOM 0 HA LEU A 29 20.127 4.708 4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.722 3.188 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 29 19.389 4.809 2.278 1.00 0.00 H new ATOM 0 HG LEU A 29 20.888 2.193 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 29 21.541 3.134 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 29 19.774 2.988 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.555 4.578 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.941 3.528 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 29 22.024 4.994 2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 29 22.204 3.685 3.422 1.00 0.00 H new ATOM 449 N LYS A 30 17.504 4.701 4.616 1.00 0.00 N ATOM 450 CA LYS A 30 16.142 4.700 5.134 1.00 0.00 C ATOM 451 C LYS A 30 15.186 4.121 4.100 1.00 0.00 C ATOM 452 O LYS A 30 14.761 2.971 4.209 1.00 0.00 O ATOM 453 CB LYS A 30 15.705 6.117 5.513 1.00 0.00 C ATOM 454 CG LYS A 30 14.381 6.166 6.260 1.00 0.00 C ATOM 455 CD LYS A 30 14.460 5.427 7.586 1.00 0.00 C ATOM 456 CE LYS A 30 13.128 5.451 8.318 1.00 0.00 C ATOM 457 NZ LYS A 30 12.045 4.809 7.524 1.00 0.00 N ATOM 0 H LYS A 30 17.785 5.574 4.170 1.00 0.00 H new ATOM 0 HA LYS A 30 16.118 4.079 6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.478 6.574 6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.624 6.718 4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.101 7.204 6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.598 5.725 5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.761 4.394 7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.228 5.881 8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.230 4.937 9.274 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.854 6.483 8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.230 4.616 8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.754 5.446 6.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.393 3.916 7.121 1.00 0.00 H new ATOM 471 N TYR A 31 14.861 4.929 3.094 1.00 0.00 N ATOM 472 CA TYR A 31 13.965 4.509 2.023 1.00 0.00 C ATOM 473 C TYR A 31 12.562 4.201 2.547 1.00 0.00 C ATOM 474 O TYR A 31 12.394 3.535 3.568 1.00 0.00 O ATOM 475 CB TYR A 31 14.547 3.294 1.296 1.00 0.00 C ATOM 476 CG TYR A 31 15.336 3.656 0.058 1.00 0.00 C ATOM 477 CD1 TYR A 31 16.698 3.921 0.131 1.00 0.00 C ATOM 478 CD2 TYR A 31 14.718 3.732 -1.184 1.00 0.00 C ATOM 479 CE1 TYR A 31 17.422 4.254 -0.999 1.00 0.00 C ATOM 480 CE2 TYR A 31 15.436 4.064 -2.319 1.00 0.00 C ATOM 481 CZ TYR A 31 16.786 4.325 -2.221 1.00 0.00 C ATOM 482 OH TYR A 31 17.500 4.656 -3.348 1.00 0.00 O ATOM 0 H TYR A 31 15.208 5.884 2.999 1.00 0.00 H new ATOM 0 HA TYR A 31 13.875 5.336 1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 31 15.192 2.745 1.981 1.00 0.00 H new ATOM 0 HB3 TYR A 31 13.734 2.623 1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 31 17.199 3.866 1.086 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.660 3.529 -1.265 1.00 0.00 H new ATOM 0 HE1 TYR A 31 18.480 4.457 -0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.941 4.118 -3.277 1.00 0.00 H new ATOM 0 HH TYR A 31 17.448 3.922 -3.996 1.00 0.00 H new ATOM 492 N THR A 32 11.559 4.701 1.833 1.00 0.00 N ATOM 493 CA THR A 32 10.160 4.497 2.187 1.00 0.00 C ATOM 494 C THR A 32 9.374 4.054 0.960 1.00 0.00 C ATOM 495 O THR A 32 9.684 4.468 -0.156 1.00 0.00 O ATOM 496 CB THR A 32 9.534 5.788 2.741 1.00 0.00 C ATOM 497 OG1 THR A 32 8.110 5.657 2.807 1.00 0.00 O ATOM 498 CG2 THR A 32 9.906 6.973 1.864 1.00 0.00 C ATOM 0 H THR A 32 11.694 5.260 0.991 1.00 0.00 H new ATOM 0 HA THR A 32 10.119 3.727 2.957 1.00 0.00 H new ATOM 0 HB THR A 32 9.921 5.959 3.746 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.722 6.484 3.163 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.456 7.880 2.268 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.990 7.084 1.843 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.539 6.806 0.851 1.00 0.00 H new ATOM 506 N CYS A 33 8.352 3.228 1.153 1.00 0.00 N ATOM 507 CA CYS A 33 7.569 2.741 0.024 1.00 0.00 C ATOM 508 C CYS A 33 6.330 3.594 -0.247 1.00 0.00 C ATOM 509 O CYS A 33 5.541 3.906 0.644 1.00 0.00 O ATOM 510 CB CYS A 33 7.174 1.274 0.224 1.00 0.00 C ATOM 511 SG CYS A 33 6.488 0.873 1.861 1.00 0.00 S ATOM 0 H CYS A 33 8.050 2.886 2.065 1.00 0.00 H new ATOM 0 HA CYS A 33 8.210 2.820 -0.854 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.440 1.005 -0.536 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.052 0.651 0.053 1.00 0.00 H new ATOM 516 N LEU A 34 6.237 3.974 -1.525 1.00 0.00 N ATOM 517 CA LEU A 34 5.162 4.812 -2.067 1.00 0.00 C ATOM 518 C LEU A 34 3.804 4.534 -1.413 1.00 0.00 C ATOM 519 O LEU A 34 3.625 3.535 -0.727 1.00 0.00 O ATOM 520 CB LEU A 34 5.078 4.604 -3.580 1.00 0.00 C ATOM 521 CG LEU A 34 6.382 4.875 -4.338 1.00 0.00 C ATOM 522 CD1 LEU A 34 6.243 4.489 -5.803 1.00 0.00 C ATOM 523 CD2 LEU A 34 6.781 6.337 -4.207 1.00 0.00 C ATOM 0 H LEU A 34 6.923 3.701 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 34 5.405 5.850 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.767 3.578 -3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.300 5.254 -3.980 1.00 0.00 H new ATOM 0 HG LEU A 34 7.168 4.262 -3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.180 4.690 -6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.006 3.428 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.443 5.073 -6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.709 6.511 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.994 6.967 -4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.926 6.582 -3.155 1.00 0.00 H new ATOM 535 N PRO A 35 2.822 5.430 -1.610 1.00 0.00 N ATOM 536 CA PRO A 35 1.488 5.261 -1.029 1.00 0.00 C ATOM 537 C PRO A 35 0.703 4.118 -1.668 1.00 0.00 C ATOM 538 O PRO A 35 0.278 4.211 -2.819 1.00 0.00 O ATOM 539 CB PRO A 35 0.802 6.600 -1.310 1.00 0.00 C ATOM 540 CG PRO A 35 1.509 7.149 -2.500 1.00 0.00 C ATOM 541 CD PRO A 35 2.933 6.676 -2.393 1.00 0.00 C ATOM 0 HA PRO A 35 1.543 5.005 0.029 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.261 6.465 -1.509 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.884 7.273 -0.456 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.049 6.797 -3.423 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.460 8.238 -2.515 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.371 6.496 -3.375 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.564 7.410 -1.892 1.00 0.00 H new ATOM 549 N GLY A 36 0.513 3.043 -0.907 1.00 0.00 N ATOM 550 CA GLY A 36 -0.246 1.916 -1.425 1.00 0.00 C ATOM 551 C GLY A 36 0.255 0.561 -0.955 1.00 0.00 C ATOM 552 O GLY A 36 -0.345 -0.465 -1.277 1.00 0.00 O ATOM 0 H GLY A 36 0.864 2.932 0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.289 2.028 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.219 1.943 -2.514 1.00 0.00 H new ATOM 556 N TYR A 37 1.342 0.541 -0.191 1.00 0.00 N ATOM 557 CA TYR A 37 1.878 -0.718 0.317 1.00 0.00 C ATOM 558 C TYR A 37 1.199 -1.054 1.635 1.00 0.00 C ATOM 559 O TYR A 37 0.729 -0.156 2.334 1.00 0.00 O ATOM 560 CB TYR A 37 3.394 -0.638 0.519 1.00 0.00 C ATOM 561 CG TYR A 37 4.177 -0.316 -0.735 1.00 0.00 C ATOM 562 CD1 TYR A 37 4.151 0.956 -1.280 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.960 -1.278 -1.361 1.00 0.00 C ATOM 564 CE1 TYR A 37 4.879 1.267 -2.410 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.694 -0.976 -2.493 1.00 0.00 C ATOM 566 CZ TYR A 37 5.649 0.299 -3.013 1.00 0.00 C ATOM 567 OH TYR A 37 6.371 0.607 -4.141 1.00 0.00 O ATOM 0 H TYR A 37 1.864 1.371 0.088 1.00 0.00 H new ATOM 0 HA TYR A 37 1.680 -1.500 -0.416 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.608 0.121 1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.746 -1.590 0.918 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.549 1.720 -0.811 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.996 -2.279 -0.956 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.845 2.266 -2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.299 -1.735 -2.967 1.00 0.00 H new ATOM 0 HH TYR A 37 6.626 1.553 -4.118 1.00 0.00 H new ATOM 577 N VAL A 38 1.139 -2.335 1.986 1.00 0.00 N ATOM 578 CA VAL A 38 0.512 -2.799 3.213 1.00 0.00 C ATOM 579 C VAL A 38 1.320 -3.966 3.784 1.00 0.00 C ATOM 580 O VAL A 38 2.547 -3.990 3.700 1.00 0.00 O ATOM 581 CB VAL A 38 -0.946 -3.239 2.950 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.741 -2.115 2.303 1.00 0.00 C ATOM 583 CG2 VAL A 38 -0.982 -4.473 2.071 1.00 0.00 C ATOM 0 H VAL A 38 1.530 -3.087 1.418 1.00 0.00 H new ATOM 0 HA VAL A 38 0.494 -1.981 3.933 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.402 -3.480 3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.764 -2.447 2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.750 -1.248 2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.280 -1.843 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.017 -4.766 1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.502 -4.254 1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.452 -5.287 2.565 1.00 0.00 H new ATOM 593 N ARG A 39 0.607 -4.917 4.376 1.00 0.00 N ATOM 594 CA ARG A 39 1.209 -6.105 4.984 1.00 0.00 C ATOM 595 C ARG A 39 2.366 -6.686 4.169 1.00 0.00 C ATOM 596 O ARG A 39 2.160 -7.287 3.114 1.00 0.00 O ATOM 597 CB ARG A 39 0.145 -7.182 5.198 1.00 0.00 C ATOM 598 CG ARG A 39 -0.427 -7.204 6.608 1.00 0.00 C ATOM 599 CD ARG A 39 0.626 -7.608 7.628 1.00 0.00 C ATOM 600 NE ARG A 39 0.086 -7.675 8.982 1.00 0.00 N ATOM 601 CZ ARG A 39 0.746 -8.192 10.014 1.00 0.00 C ATOM 602 NH1 ARG A 39 1.966 -8.687 9.845 1.00 0.00 N ATOM 603 NH2 ARG A 39 0.188 -8.218 11.216 1.00 0.00 N ATOM 0 H ARG A 39 -0.410 -4.889 4.450 1.00 0.00 H new ATOM 0 HA ARG A 39 1.624 -5.783 5.939 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.667 -7.024 4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.578 -8.157 4.976 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.819 -6.218 6.859 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.264 -7.901 6.652 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.040 -8.579 7.355 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.448 -6.893 7.602 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.850 -7.305 9.146 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.399 -8.671 8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.470 -9.083 10.638 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.750 -7.841 11.351 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.697 -8.615 12.006 1.00 0.00 H new ATOM 617 N SER A 40 3.581 -6.501 4.687 1.00 0.00 N ATOM 618 CA SER A 40 4.800 -7.016 4.065 1.00 0.00 C ATOM 619 C SER A 40 6.038 -6.502 4.797 1.00 0.00 C ATOM 620 O SER A 40 7.128 -7.053 4.650 1.00 0.00 O ATOM 621 CB SER A 40 4.880 -6.613 2.596 1.00 0.00 C ATOM 622 OG SER A 40 6.063 -7.108 1.994 1.00 0.00 O ATOM 0 H SER A 40 3.747 -5.988 5.553 1.00 0.00 H new ATOM 0 HA SER A 40 4.767 -8.103 4.132 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.010 -6.996 2.063 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.853 -5.527 2.512 1.00 0.00 H new ATOM 0 HG SER A 40 5.952 -7.125 1.020 1.00 0.00 H new ATOM 628 N HIS A 41 5.854 -5.445 5.588 1.00 0.00 N ATOM 629 CA HIS A 41 6.954 -4.835 6.336 1.00 0.00 C ATOM 630 C HIS A 41 7.788 -5.885 7.062 1.00 0.00 C ATOM 631 O HIS A 41 7.274 -6.921 7.482 1.00 0.00 O ATOM 632 CB HIS A 41 6.419 -3.820 7.347 1.00 0.00 C ATOM 633 CG HIS A 41 5.374 -2.903 6.792 1.00 0.00 C ATOM 634 ND1 HIS A 41 5.649 -1.623 6.358 1.00 0.00 N ATOM 635 CD2 HIS A 41 4.045 -3.084 6.603 1.00 0.00 C ATOM 636 CE1 HIS A 41 4.534 -1.058 5.928 1.00 0.00 C ATOM 637 NE2 HIS A 41 3.548 -1.923 6.065 1.00 0.00 N ATOM 0 H HIS A 41 4.951 -4.992 5.728 1.00 0.00 H new ATOM 0 HA HIS A 41 7.593 -4.326 5.614 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.002 -4.356 8.199 1.00 0.00 H new ATOM 0 HB3 HIS A 41 7.250 -3.223 7.722 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.481 -3.976 6.833 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.445 -0.057 5.532 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.574 -1.756 5.812 1.00 0.00 H new ATOM 646 N SER A 42 9.081 -5.601 7.209 1.00 0.00 N ATOM 647 CA SER A 42 9.995 -6.513 7.886 1.00 0.00 C ATOM 648 C SER A 42 11.389 -5.904 8.006 1.00 0.00 C ATOM 649 O SER A 42 12.237 -6.417 8.737 1.00 0.00 O ATOM 650 CB SER A 42 10.075 -7.843 7.132 1.00 0.00 C ATOM 651 OG SER A 42 10.992 -8.729 7.752 1.00 0.00 O ATOM 0 H SER A 42 9.518 -4.745 6.867 1.00 0.00 H new ATOM 0 HA SER A 42 9.608 -6.691 8.889 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.088 -8.304 7.096 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.380 -7.662 6.101 1.00 0.00 H new ATOM 0 HG SER A 42 11.679 -8.212 8.223 1.00 0.00 H new ATOM 657 N THR A 43 11.619 -4.805 7.291 1.00 0.00 N ATOM 658 CA THR A 43 12.919 -4.135 7.318 1.00 0.00 C ATOM 659 C THR A 43 12.821 -2.692 6.823 1.00 0.00 C ATOM 660 O THR A 43 12.598 -1.772 7.611 1.00 0.00 O ATOM 661 CB THR A 43 13.959 -4.891 6.466 1.00 0.00 C ATOM 662 OG1 THR A 43 13.956 -6.283 6.803 1.00 0.00 O ATOM 663 CG2 THR A 43 15.353 -4.321 6.684 1.00 0.00 C ATOM 0 H THR A 43 10.926 -4.361 6.688 1.00 0.00 H new ATOM 0 HA THR A 43 13.243 -4.130 8.359 1.00 0.00 H new ATOM 0 HB THR A 43 13.689 -4.770 5.417 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.642 -6.396 7.724 1.00 0.00 H new ATOM 0 HG21 THR A 43 16.070 -4.870 6.073 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.364 -3.269 6.400 1.00 0.00 H new ATOM 0 HG23 THR A 43 15.625 -4.416 7.735 1.00 0.00 H new ATOM 671 N GLN A 44 13.006 -2.512 5.514 1.00 0.00 N ATOM 672 CA GLN A 44 12.942 -1.197 4.875 1.00 0.00 C ATOM 673 C GLN A 44 14.239 -0.421 5.091 1.00 0.00 C ATOM 674 O GLN A 44 14.230 0.699 5.603 1.00 0.00 O ATOM 675 CB GLN A 44 11.745 -0.391 5.393 1.00 0.00 C ATOM 676 CG GLN A 44 11.477 0.879 4.602 1.00 0.00 C ATOM 677 CD GLN A 44 10.360 1.712 5.197 1.00 0.00 C ATOM 678 OE1 GLN A 44 10.601 2.587 6.029 1.00 0.00 O ATOM 679 NE2 GLN A 44 9.131 1.442 4.776 1.00 0.00 N ATOM 0 H GLN A 44 13.205 -3.275 4.867 1.00 0.00 H new ATOM 0 HA GLN A 44 12.810 -1.355 3.805 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.855 -1.020 5.366 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.919 -0.129 6.437 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.388 1.476 4.561 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.222 0.616 3.575 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.979 0.708 4.085 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.339 1.969 5.144 1.00 0.00 H new ATOM 688 N THR A 45 15.353 -1.029 4.688 1.00 0.00 N ATOM 689 CA THR A 45 16.667 -0.408 4.826 1.00 0.00 C ATOM 690 C THR A 45 17.637 -0.969 3.789 1.00 0.00 C ATOM 691 O THR A 45 17.639 -2.169 3.522 1.00 0.00 O ATOM 692 CB THR A 45 17.264 -0.622 6.232 1.00 0.00 C ATOM 693 OG1 THR A 45 17.237 -2.013 6.571 1.00 0.00 O ATOM 694 CG2 THR A 45 16.504 0.176 7.282 1.00 0.00 C ATOM 0 H THR A 45 15.371 -1.955 4.261 1.00 0.00 H new ATOM 0 HA THR A 45 16.527 0.661 4.668 1.00 0.00 H new ATOM 0 HB THR A 45 18.296 -0.271 6.215 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.619 -2.139 7.464 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.949 0.004 8.262 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.557 1.238 7.041 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.461 -0.141 7.296 1.00 0.00 H new ATOM 702 N LEU A 46 18.468 -0.101 3.218 1.00 0.00 N ATOM 703 CA LEU A 46 19.433 -0.524 2.204 1.00 0.00 C ATOM 704 C LEU A 46 20.842 -0.573 2.788 1.00 0.00 C ATOM 705 O LEU A 46 21.459 0.459 3.049 1.00 0.00 O ATOM 706 CB LEU A 46 19.387 0.404 0.986 1.00 0.00 C ATOM 707 CG LEU A 46 18.496 -0.078 -0.165 1.00 0.00 C ATOM 708 CD1 LEU A 46 17.078 -0.328 0.325 1.00 0.00 C ATOM 709 CD2 LEU A 46 18.498 0.928 -1.309 1.00 0.00 C ATOM 0 H LEU A 46 18.494 0.895 3.438 1.00 0.00 H new ATOM 0 HA LEU A 46 19.162 -1.528 1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 46 19.038 1.385 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 46 20.402 0.535 0.610 1.00 0.00 H new ATOM 0 HG LEU A 46 18.902 -1.018 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.461 -0.669 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 46 17.091 -1.090 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.664 0.596 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.859 0.565 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.122 1.886 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.515 1.054 -1.681 1.00 0.00 H new ATOM 721 N THR A 47 21.341 -1.791 2.990 1.00 0.00 N ATOM 722 CA THR A 47 22.680 -2.003 3.529 1.00 0.00 C ATOM 723 C THR A 47 23.592 -2.572 2.453 1.00 0.00 C ATOM 724 O THR A 47 23.134 -3.304 1.575 1.00 0.00 O ATOM 725 CB THR A 47 22.662 -2.988 4.715 1.00 0.00 C ATOM 726 OG1 THR A 47 21.598 -2.658 5.615 1.00 0.00 O ATOM 727 CG2 THR A 47 23.987 -2.962 5.462 1.00 0.00 C ATOM 0 H THR A 47 20.832 -2.651 2.786 1.00 0.00 H new ATOM 0 HA THR A 47 23.048 -1.036 3.872 1.00 0.00 H new ATOM 0 HB THR A 47 22.504 -3.991 4.319 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.595 -3.291 6.363 1.00 0.00 H new ATOM 0 HG21 THR A 47 23.949 -3.665 6.294 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.792 -3.245 4.784 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.170 -1.958 5.844 1.00 0.00 H new ATOM 735 N CYS A 48 24.880 -2.245 2.510 1.00 0.00 N ATOM 736 CA CYS A 48 25.812 -2.762 1.524 1.00 0.00 C ATOM 737 C CYS A 48 26.258 -4.148 1.965 1.00 0.00 C ATOM 738 O CYS A 48 26.859 -4.313 3.025 1.00 0.00 O ATOM 739 CB CYS A 48 27.006 -1.821 1.353 1.00 0.00 C ATOM 740 SG CYS A 48 28.256 -2.395 0.156 1.00 0.00 S ATOM 0 H CYS A 48 25.293 -1.636 3.216 1.00 0.00 H new ATOM 0 HA CYS A 48 25.323 -2.830 0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.640 -0.844 1.037 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.486 -1.683 2.322 1.00 0.00 H new ATOM 745 N ASN A 49 25.940 -5.143 1.154 1.00 0.00 N ATOM 746 CA ASN A 49 26.338 -6.511 1.443 1.00 0.00 C ATOM 747 C ASN A 49 27.592 -6.860 0.645 1.00 0.00 C ATOM 748 O ASN A 49 28.085 -6.043 -0.134 1.00 0.00 O ATOM 749 CB ASN A 49 25.203 -7.477 1.106 1.00 0.00 C ATOM 750 CG ASN A 49 24.653 -7.250 -0.285 1.00 0.00 C ATOM 751 OD1 ASN A 49 25.093 -7.873 -1.247 1.00 0.00 O ATOM 752 ND2 ASN A 49 23.689 -6.349 -0.396 1.00 0.00 N ATOM 0 H ASN A 49 25.408 -5.030 0.291 1.00 0.00 H new ATOM 0 HA ASN A 49 26.558 -6.602 2.507 1.00 0.00 H new ATOM 0 HB2 ASN A 49 25.564 -8.502 1.189 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.401 -7.361 1.835 1.00 0.00 H new ATOM 0 HD21 ASN A 49 23.281 -6.149 -1.309 1.00 0.00 H new ATOM 0 HD22 ASN A 49 23.355 -5.855 0.432 1.00 0.00 H new ATOM 759 N SER A 50 28.109 -8.068 0.835 1.00 0.00 N ATOM 760 CA SER A 50 29.305 -8.498 0.116 1.00 0.00 C ATOM 761 C SER A 50 28.908 -9.193 -1.185 1.00 0.00 C ATOM 762 O SER A 50 29.196 -10.371 -1.397 1.00 0.00 O ATOM 763 CB SER A 50 30.145 -9.439 0.983 1.00 0.00 C ATOM 764 OG SER A 50 31.314 -9.855 0.299 1.00 0.00 O ATOM 0 H SER A 50 27.724 -8.763 1.475 1.00 0.00 H new ATOM 0 HA SER A 50 29.906 -7.619 -0.119 1.00 0.00 H new ATOM 0 HB2 SER A 50 30.422 -8.935 1.909 1.00 0.00 H new ATOM 0 HB3 SER A 50 29.552 -10.311 1.259 1.00 0.00 H new ATOM 0 HG SER A 50 31.062 -10.327 -0.522 1.00 0.00 H new ATOM 770 N ASP A 51 28.237 -8.436 -2.046 1.00 0.00 N ATOM 771 CA ASP A 51 27.778 -8.920 -3.344 1.00 0.00 C ATOM 772 C ASP A 51 27.819 -7.786 -4.359 1.00 0.00 C ATOM 773 O ASP A 51 27.421 -7.948 -5.513 1.00 0.00 O ATOM 774 CB ASP A 51 26.345 -9.433 -3.235 1.00 0.00 C ATOM 775 CG ASP A 51 25.969 -10.349 -4.384 1.00 0.00 C ATOM 776 OD1 ASP A 51 25.568 -9.834 -5.448 1.00 0.00 O ATOM 777 OD2 ASP A 51 26.076 -11.583 -4.218 1.00 0.00 O ATOM 0 H ASP A 51 27.994 -7.462 -1.862 1.00 0.00 H new ATOM 0 HA ASP A 51 28.432 -9.730 -3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 51 26.224 -9.968 -2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 51 25.660 -8.586 -3.210 1.00 0.00 H new ATOM 782 N GLY A 52 28.310 -6.638 -3.910 1.00 0.00 N ATOM 783 CA GLY A 52 28.378 -5.474 -4.774 1.00 0.00 C ATOM 784 C GLY A 52 27.008 -4.924 -5.111 1.00 0.00 C ATOM 785 O GLY A 52 26.838 -4.131 -6.036 1.00 0.00 O ATOM 0 H GLY A 52 28.662 -6.492 -2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.968 -4.698 -4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 52 28.897 -5.739 -5.695 1.00 0.00 H new ATOM 789 N GLU A 53 26.038 -5.371 -4.324 1.00 0.00 N ATOM 790 CA GLU A 53 24.660 -4.933 -4.493 1.00 0.00 C ATOM 791 C GLU A 53 24.028 -4.560 -3.159 1.00 0.00 C ATOM 792 O GLU A 53 24.638 -4.712 -2.102 1.00 0.00 O ATOM 793 CB GLU A 53 23.830 -6.033 -5.163 1.00 0.00 C ATOM 794 CG GLU A 53 23.313 -7.085 -4.193 1.00 0.00 C ATOM 795 CD GLU A 53 22.489 -8.158 -4.880 1.00 0.00 C ATOM 796 OE1 GLU A 53 23.084 -9.028 -5.550 1.00 0.00 O ATOM 797 OE2 GLU A 53 21.247 -8.125 -4.751 1.00 0.00 O ATOM 0 H GLU A 53 26.180 -6.036 -3.564 1.00 0.00 H new ATOM 0 HA GLU A 53 24.672 -4.047 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 53 22.983 -5.576 -5.675 1.00 0.00 H new ATOM 0 HB3 GLU A 53 24.438 -6.521 -5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 53 24.157 -7.551 -3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 53 22.707 -6.601 -3.427 1.00 0.00 H new ATOM 804 N TRP A 54 22.804 -4.058 -3.230 1.00 0.00 N ATOM 805 CA TRP A 54 22.052 -3.673 -2.058 1.00 0.00 C ATOM 806 C TRP A 54 21.044 -4.751 -1.705 1.00 0.00 C ATOM 807 O TRP A 54 20.104 -5.020 -2.452 1.00 0.00 O ATOM 808 CB TRP A 54 21.333 -2.358 -2.329 1.00 0.00 C ATOM 809 CG TRP A 54 22.267 -1.204 -2.502 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.636 -0.612 -3.674 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.961 -0.509 -1.467 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.511 0.419 -3.427 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.727 0.500 -2.077 1.00 0.00 C ATOM 814 CE3 TRP A 54 23.001 -0.643 -0.083 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.527 1.372 -1.344 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.795 0.220 0.648 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.548 1.218 0.016 1.00 0.00 C ATOM 0 H TRP A 54 22.308 -3.908 -4.108 1.00 0.00 H new ATOM 0 HA TRP A 54 22.736 -3.547 -1.218 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.724 -2.462 -3.227 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.652 -2.146 -1.504 1.00 0.00 H new ATOM 0 HD1 TRP A 54 22.291 -0.910 -4.653 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.930 1.024 -4.133 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.421 -1.408 0.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 25.109 2.141 -1.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.836 0.124 1.723 1.00 0.00 H new ATOM 0 HH2 TRP A 54 25.157 1.879 0.614 1.00 0.00 H new ATOM 828 N VAL A 55 21.262 -5.361 -0.548 1.00 0.00 N ATOM 829 CA VAL A 55 20.404 -6.421 -0.056 1.00 0.00 C ATOM 830 C VAL A 55 19.409 -5.813 0.924 1.00 0.00 C ATOM 831 O VAL A 55 19.752 -4.856 1.620 1.00 0.00 O ATOM 832 CB VAL A 55 21.236 -7.521 0.637 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.513 -8.080 1.849 1.00 0.00 C ATOM 834 CG2 VAL A 55 21.578 -8.630 -0.344 1.00 0.00 C ATOM 0 H VAL A 55 22.039 -5.133 0.073 1.00 0.00 H new ATOM 0 HA VAL A 55 19.875 -6.883 -0.890 1.00 0.00 H new ATOM 0 HB VAL A 55 22.164 -7.068 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.126 -8.852 2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.332 -7.279 2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.561 -8.510 1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 55 22.165 -9.396 0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 55 20.659 -9.072 -0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 55 22.156 -8.218 -1.171 1.00 0.00 H new ATOM 844 N TYR A 56 18.196 -6.357 1.006 1.00 0.00 N ATOM 845 CA TYR A 56 17.224 -5.812 1.954 1.00 0.00 C ATOM 846 C TYR A 56 15.856 -6.476 1.856 1.00 0.00 C ATOM 847 O TYR A 56 14.907 -6.056 2.520 1.00 0.00 O ATOM 848 CB TYR A 56 17.062 -4.307 1.726 1.00 0.00 C ATOM 849 CG TYR A 56 16.861 -3.938 0.271 1.00 0.00 C ATOM 850 CD1 TYR A 56 15.617 -4.058 -0.331 1.00 0.00 C ATOM 851 CD2 TYR A 56 17.919 -3.474 -0.502 1.00 0.00 C ATOM 852 CE1 TYR A 56 15.430 -3.729 -1.660 1.00 0.00 C ATOM 853 CE2 TYR A 56 17.742 -3.141 -1.831 1.00 0.00 C ATOM 854 CZ TYR A 56 16.496 -3.271 -2.406 1.00 0.00 C ATOM 855 OH TYR A 56 16.315 -2.944 -3.730 1.00 0.00 O ATOM 0 H TYR A 56 17.869 -7.147 0.449 1.00 0.00 H new ATOM 0 HA TYR A 56 17.617 -6.014 2.951 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.211 -3.949 2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.945 -3.792 2.105 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.779 -4.415 0.250 1.00 0.00 H new ATOM 0 HD2 TYR A 56 18.897 -3.372 -0.056 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.454 -3.830 -2.112 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.575 -2.781 -2.416 1.00 0.00 H new ATOM 0 HH TYR A 56 15.363 -2.784 -3.900 1.00 0.00 H new ATOM 865 N ASN A 57 15.764 -7.522 1.042 1.00 0.00 N ATOM 866 CA ASN A 57 14.510 -8.246 0.849 1.00 0.00 C ATOM 867 C ASN A 57 13.380 -7.292 0.466 1.00 0.00 C ATOM 868 O ASN A 57 13.565 -6.076 0.428 1.00 0.00 O ATOM 869 CB ASN A 57 14.136 -9.007 2.123 1.00 0.00 C ATOM 870 CG ASN A 57 15.199 -10.005 2.535 1.00 0.00 C ATOM 871 OD1 ASN A 57 16.128 -9.671 3.270 1.00 0.00 O ATOM 872 ND2 ASN A 57 15.068 -11.238 2.063 1.00 0.00 N ATOM 0 H ASN A 57 16.547 -7.890 0.502 1.00 0.00 H new ATOM 0 HA ASN A 57 14.653 -8.956 0.035 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.976 -8.296 2.933 1.00 0.00 H new ATOM 0 HB3 ASN A 57 13.192 -9.530 1.967 1.00 0.00 H new ATOM 0 HD21 ASN A 57 15.753 -11.953 2.307 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.282 -11.471 1.456 1.00 0.00 H new ATOM 879 N THR A 58 12.212 -7.845 0.166 1.00 0.00 N ATOM 880 CA THR A 58 11.066 -7.020 -0.192 1.00 0.00 C ATOM 881 C THR A 58 10.348 -6.558 1.070 1.00 0.00 C ATOM 882 O THR A 58 9.411 -7.202 1.542 1.00 0.00 O ATOM 883 CB THR A 58 10.080 -7.771 -1.103 1.00 0.00 C ATOM 884 OG1 THR A 58 10.733 -8.888 -1.719 1.00 0.00 O ATOM 885 CG2 THR A 58 9.539 -6.841 -2.180 1.00 0.00 C ATOM 0 H THR A 58 12.034 -8.849 0.163 1.00 0.00 H new ATOM 0 HA THR A 58 11.439 -6.158 -0.745 1.00 0.00 H new ATOM 0 HB THR A 58 9.250 -8.129 -0.493 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.097 -9.361 -2.296 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.843 -7.387 -2.816 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.022 -6.004 -1.711 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.365 -6.465 -2.784 1.00 0.00 H new ATOM 893 N PHE A 59 10.811 -5.437 1.615 1.00 0.00 N ATOM 894 CA PHE A 59 10.254 -4.885 2.843 1.00 0.00 C ATOM 895 C PHE A 59 8.769 -4.543 2.716 1.00 0.00 C ATOM 896 O PHE A 59 7.982 -4.886 3.594 1.00 0.00 O ATOM 897 CB PHE A 59 11.056 -3.658 3.281 1.00 0.00 C ATOM 898 CG PHE A 59 11.446 -2.750 2.149 1.00 0.00 C ATOM 899 CD1 PHE A 59 10.553 -1.821 1.642 1.00 0.00 C ATOM 900 CD2 PHE A 59 12.714 -2.824 1.596 1.00 0.00 C ATOM 901 CE1 PHE A 59 10.916 -0.984 0.606 1.00 0.00 C ATOM 902 CE2 PHE A 59 13.083 -1.991 0.559 1.00 0.00 C ATOM 903 CZ PHE A 59 12.183 -1.070 0.063 1.00 0.00 C ATOM 0 H PHE A 59 11.577 -4.890 1.221 1.00 0.00 H new ATOM 0 HA PHE A 59 10.331 -5.658 3.607 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.468 -3.091 4.003 1.00 0.00 H new ATOM 0 HB3 PHE A 59 11.958 -3.990 3.795 1.00 0.00 H new ATOM 0 HD1 PHE A 59 9.561 -1.750 2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 59 13.423 -3.542 1.981 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.210 -0.263 0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 59 14.075 -2.060 0.136 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.469 -0.417 -0.749 1.00 0.00 H new ATOM 913 N CYS A 60 8.380 -3.869 1.639 1.00 0.00 N ATOM 914 CA CYS A 60 6.976 -3.511 1.450 1.00 0.00 C ATOM 915 C CYS A 60 6.313 -4.438 0.427 1.00 0.00 C ATOM 916 O CYS A 60 6.930 -5.402 -0.027 1.00 0.00 O ATOM 917 CB CYS A 60 6.846 -2.040 1.050 1.00 0.00 C ATOM 918 SG CYS A 60 7.398 -0.877 2.348 1.00 0.00 S ATOM 0 H CYS A 60 9.005 -3.563 0.893 1.00 0.00 H new ATOM 0 HA CYS A 60 6.452 -3.643 2.397 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.429 -1.865 0.146 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.805 -1.830 0.804 1.00 0.00 H new ATOM 923 N ILE A 61 5.061 -4.152 0.062 1.00 0.00 N ATOM 924 CA ILE A 61 4.333 -5.015 -0.873 1.00 0.00 C ATOM 925 C ILE A 61 3.594 -4.244 -1.964 1.00 0.00 C ATOM 926 O ILE A 61 3.902 -4.383 -3.147 1.00 0.00 O ATOM 927 CB ILE A 61 3.325 -5.895 -0.107 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.342 -6.570 -1.056 1.00 0.00 C ATOM 929 CG2 ILE A 61 2.571 -5.072 0.926 1.00 0.00 C ATOM 930 CD1 ILE A 61 1.773 -7.850 -0.487 1.00 0.00 C ATOM 0 H ILE A 61 4.536 -3.343 0.393 1.00 0.00 H new ATOM 0 HA ILE A 61 5.086 -5.629 -1.366 1.00 0.00 H new ATOM 0 HB ILE A 61 3.891 -6.673 0.405 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.527 -5.882 -1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.843 -6.787 -1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.865 -5.711 1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.278 -4.645 1.637 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.029 -4.269 0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.079 -8.290 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.583 -8.552 -0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.246 -7.633 0.442 1.00 0.00 H new ATOM 942 N TYR A 62 2.609 -3.460 -1.545 1.00 0.00 N ATOM 943 CA TYR A 62 1.773 -2.668 -2.449 1.00 0.00 C ATOM 944 C TYR A 62 0.607 -3.491 -2.978 1.00 0.00 C ATOM 945 O TYR A 62 0.776 -4.350 -3.844 1.00 0.00 O ATOM 946 CB TYR A 62 2.573 -2.092 -3.623 1.00 0.00 C ATOM 947 CG TYR A 62 2.054 -0.756 -4.116 1.00 0.00 C ATOM 948 CD1 TYR A 62 0.705 -0.431 -4.040 1.00 0.00 C ATOM 949 CD2 TYR A 62 2.925 0.191 -4.632 1.00 0.00 C ATOM 950 CE1 TYR A 62 0.242 0.797 -4.469 1.00 0.00 C ATOM 951 CE2 TYR A 62 2.475 1.423 -5.056 1.00 0.00 C ATOM 952 CZ TYR A 62 1.133 1.723 -4.975 1.00 0.00 C ATOM 953 OH TYR A 62 0.684 2.954 -5.385 1.00 0.00 O ATOM 0 H TYR A 62 2.363 -3.352 -0.561 1.00 0.00 H new ATOM 0 HA TYR A 62 1.387 -1.834 -1.863 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.614 -1.978 -3.321 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.556 -2.805 -4.447 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.007 -1.151 -3.639 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.977 -0.041 -4.703 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.810 1.032 -4.409 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.171 2.149 -5.450 1.00 0.00 H new ATOM 0 HH TYR A 62 0.496 3.512 -4.601 1.00 0.00 H new ATOM 963 N LYS A 63 -0.578 -3.216 -2.446 1.00 0.00 N ATOM 964 CA LYS A 63 -1.793 -3.899 -2.860 1.00 0.00 C ATOM 965 C LYS A 63 -3.016 -3.190 -2.303 1.00 0.00 C ATOM 966 O LYS A 63 -3.493 -3.510 -1.215 1.00 0.00 O ATOM 967 CB LYS A 63 -1.788 -5.369 -2.424 1.00 0.00 C ATOM 968 CG LYS A 63 -1.531 -5.596 -0.941 1.00 0.00 C ATOM 969 CD LYS A 63 -1.737 -7.060 -0.572 1.00 0.00 C ATOM 970 CE LYS A 63 -1.404 -7.347 0.881 1.00 0.00 C ATOM 971 NZ LYS A 63 -1.030 -8.773 1.094 1.00 0.00 N ATOM 0 H LYS A 63 -0.721 -2.516 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.833 -3.873 -3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.749 -5.813 -2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.027 -5.900 -2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.513 -5.294 -0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.201 -4.970 -0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.773 -7.337 -0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.115 -7.684 -1.214 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.583 -6.705 1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.262 -7.100 1.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.398 -8.847 1.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.888 -9.335 1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.542 -9.134 0.249 1.00 0.00 H new ATOM 985 N ARG A 64 -3.521 -2.217 -3.052 1.00 0.00 N ATOM 986 CA ARG A 64 -4.684 -1.450 -2.642 1.00 0.00 C ATOM 987 C ARG A 64 -5.959 -2.267 -2.838 1.00 0.00 C ATOM 988 O ARG A 64 -6.040 -3.407 -2.387 1.00 0.00 O ATOM 989 CB ARG A 64 -4.747 -0.139 -3.429 1.00 0.00 C ATOM 990 CG ARG A 64 -4.320 -0.276 -4.879 1.00 0.00 C ATOM 991 CD ARG A 64 -3.270 0.761 -5.242 1.00 0.00 C ATOM 992 NE ARG A 64 -3.802 2.119 -5.191 1.00 0.00 N ATOM 993 CZ ARG A 64 -3.150 3.184 -5.649 1.00 0.00 C ATOM 994 NH1 ARG A 64 -1.950 3.047 -6.195 1.00 0.00 N ATOM 995 NH2 ARG A 64 -3.700 4.388 -5.562 1.00 0.00 N ATOM 0 H ARG A 64 -3.136 -1.941 -3.955 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.598 -1.213 -1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.766 0.246 -3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.111 0.599 -2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.922 -1.276 -5.051 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.188 -0.162 -5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.426 0.677 -4.558 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.891 0.558 -6.243 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.725 2.259 -4.781 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.524 2.123 -6.265 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.453 3.866 -6.545 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.624 4.498 -5.144 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.199 5.204 -5.914 1.00 0.00 H new ATOM 1009 N CYS A 65 -6.961 -1.681 -3.492 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.224 -2.370 -3.744 1.00 0.00 C ATOM 1011 C CYS A 65 -8.958 -1.707 -4.898 1.00 0.00 C ATOM 1012 O CYS A 65 -8.918 -0.485 -5.041 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.121 -2.344 -2.503 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.237 -2.097 -0.932 1.00 0.00 S ATOM 0 H CYS A 65 -6.922 -0.729 -3.857 1.00 0.00 H new ATOM 0 HA CYS A 65 -7.996 -3.406 -3.994 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -9.857 -1.548 -2.620 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.673 -3.283 -2.450 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.628 -2.504 -5.725 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.364 -1.942 -6.844 1.00 0.00 C ATOM 1021 C ARG A 66 -11.574 -1.180 -6.324 1.00 0.00 C ATOM 1022 O ARG A 66 -12.201 -1.579 -5.347 1.00 0.00 O ATOM 1023 CB ARG A 66 -10.787 -3.031 -7.834 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.629 -2.514 -8.992 1.00 0.00 C ATOM 1025 CD ARG A 66 -10.918 -1.402 -9.752 1.00 0.00 C ATOM 1026 NE ARG A 66 -11.689 -0.945 -10.904 1.00 0.00 N ATOM 1027 CZ ARG A 66 -11.261 -0.020 -11.760 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -10.073 0.548 -11.592 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -12.020 0.340 -12.787 1.00 0.00 N ATOM 0 H ARG A 66 -9.675 -3.520 -5.642 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.712 -1.253 -7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.894 -3.513 -8.233 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.351 -3.796 -7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.854 -3.335 -9.673 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.582 -2.144 -8.613 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.738 -0.562 -9.081 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.943 -1.758 -10.086 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.608 -1.358 -11.062 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.484 0.276 -10.805 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.749 1.256 -12.250 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.934 -0.092 -12.922 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.690 1.049 -13.441 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.889 -0.083 -6.991 1.00 0.00 N ATOM 1044 CA HIS A 67 -13.021 0.746 -6.597 1.00 0.00 C ATOM 1045 C HIS A 67 -14.285 -0.092 -6.393 1.00 0.00 C ATOM 1046 O HIS A 67 -14.663 -0.879 -7.260 1.00 0.00 O ATOM 1047 CB HIS A 67 -13.275 1.821 -7.654 1.00 0.00 C ATOM 1048 CG HIS A 67 -14.266 2.857 -7.228 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -15.559 2.906 -7.704 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -14.145 3.892 -6.365 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -16.191 3.928 -7.152 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -15.354 4.542 -6.335 1.00 0.00 N ATOM 0 H HIS A 67 -11.379 0.256 -7.807 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.774 1.220 -5.647 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.332 2.310 -7.896 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.630 1.344 -8.567 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -13.261 4.158 -5.804 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -17.216 4.212 -7.337 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -15.571 5.365 -5.773 1.00 0.00 H new ATOM 1061 N PRO A 68 -14.953 0.070 -5.231 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.195 -0.649 -4.912 1.00 0.00 C ATOM 1063 C PRO A 68 -17.223 -0.510 -6.022 1.00 0.00 C ATOM 1064 O PRO A 68 -17.992 -1.431 -6.298 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.707 0.053 -3.643 1.00 0.00 C ATOM 1066 CG PRO A 68 -15.890 1.292 -3.505 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.571 0.987 -4.150 1.00 0.00 C ATOM 0 HA PRO A 68 -16.025 -1.718 -4.786 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.767 0.292 -3.729 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.595 -0.589 -2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.377 2.137 -3.991 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.760 1.559 -2.456 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.088 1.886 -4.532 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.875 0.523 -3.451 1.00 0.00 H new ATOM 1075 N GLY A 69 -17.226 0.658 -6.651 1.00 0.00 N ATOM 1076 CA GLY A 69 -18.181 0.937 -7.702 1.00 0.00 C ATOM 1077 C GLY A 69 -19.123 2.048 -7.295 1.00 0.00 C ATOM 1078 O GLY A 69 -19.024 2.598 -6.197 1.00 0.00 O ATOM 0 H GLY A 69 -16.579 1.421 -6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.653 1.218 -8.613 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.751 0.036 -7.929 1.00 0.00 H new ATOM 1082 N GLU A 70 -20.030 2.379 -8.201 1.00 0.00 N ATOM 1083 CA GLU A 70 -21.009 3.422 -7.951 1.00 0.00 C ATOM 1084 C GLU A 70 -22.197 2.873 -7.185 1.00 0.00 C ATOM 1085 O GLU A 70 -22.801 1.872 -7.570 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.457 4.085 -9.254 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.454 5.214 -9.053 1.00 0.00 C ATOM 1088 CD GLU A 70 -22.840 5.891 -10.355 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -23.672 5.325 -11.095 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -22.308 6.986 -10.636 1.00 0.00 O ATOM 0 H GLU A 70 -20.107 1.938 -9.118 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.533 4.187 -7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.581 4.474 -9.773 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.902 3.330 -9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -23.350 4.821 -8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -22.028 5.954 -8.376 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.541 3.567 -6.114 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.683 3.215 -5.300 1.00 0.00 C ATOM 1099 C LEU A 71 -24.731 4.297 -5.521 1.00 0.00 C ATOM 1100 O LEU A 71 -24.650 5.390 -4.968 1.00 0.00 O ATOM 1101 CB LEU A 71 -23.280 3.092 -3.829 1.00 0.00 C ATOM 1102 CG LEU A 71 -24.420 2.788 -2.870 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -25.061 1.447 -3.188 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -23.943 2.828 -1.427 1.00 0.00 C ATOM 0 H LEU A 71 -22.034 4.390 -5.787 1.00 0.00 H new ATOM 0 HA LEU A 71 -24.089 2.243 -5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -22.531 2.306 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -22.804 4.023 -3.520 1.00 0.00 H new ATOM 0 HG LEU A 71 -25.177 3.562 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -25.873 1.256 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -25.456 1.464 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -24.314 0.657 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -24.778 2.607 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -23.158 2.086 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -23.551 3.820 -1.201 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.695 3.972 -6.368 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.740 4.925 -6.734 1.00 0.00 C ATOM 1118 C ARG A 72 -27.588 5.308 -5.530 1.00 0.00 C ATOM 1119 O ARG A 72 -27.328 6.311 -4.864 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.612 4.357 -7.855 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.753 5.271 -8.270 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.421 4.787 -9.547 1.00 0.00 C ATOM 1123 NE ARG A 72 -28.559 4.952 -10.714 1.00 0.00 N ATOM 1124 CZ ARG A 72 -28.983 4.828 -11.969 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.252 4.533 -12.217 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -28.138 5.001 -12.976 1.00 0.00 N ATOM 0 H ARG A 72 -25.779 3.059 -6.816 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.256 5.832 -7.097 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.985 4.157 -8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -28.024 3.401 -7.533 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.491 5.320 -7.469 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.375 6.283 -8.417 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -29.688 3.736 -9.440 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -30.349 5.338 -9.701 1.00 0.00 H new ATOM 0 HE ARG A 72 -27.576 5.175 -10.558 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -30.905 4.401 -11.445 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.575 4.438 -13.180 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.162 5.229 -12.789 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -28.464 4.906 -13.938 1.00 0.00 H new ATOM 1140 N ASN A 73 -28.620 4.523 -5.301 1.00 0.00 N ATOM 1141 CA ASN A 73 -29.510 4.752 -4.165 1.00 0.00 C ATOM 1142 C ASN A 73 -28.689 4.790 -2.878 1.00 0.00 C ATOM 1143 O ASN A 73 -29.258 4.814 -1.786 1.00 0.00 O ATOM 1144 CB ASN A 73 -30.628 3.711 -4.101 1.00 0.00 C ATOM 1145 CG ASN A 73 -31.429 3.643 -5.386 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -32.421 4.352 -5.551 1.00 0.00 O ATOM 1147 ND2 ASN A 73 -31.000 2.785 -6.306 1.00 0.00 N ATOM 0 H ASN A 73 -28.869 3.721 -5.880 1.00 0.00 H new ATOM 0 HA ASN A 73 -30.003 5.716 -4.292 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -30.197 2.732 -3.892 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -31.295 3.949 -3.272 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.498 2.695 -7.191 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -30.172 2.217 -6.127 1.00 0.00 H new ATOM 1154 N GLY A 74 -27.364 4.809 -2.989 1.00 0.00 N ATOM 1155 CA GLY A 74 -26.558 4.896 -1.801 1.00 0.00 C ATOM 1156 C GLY A 74 -25.350 5.805 -1.975 1.00 0.00 C ATOM 1157 O GLY A 74 -25.247 6.527 -2.965 1.00 0.00 O ATOM 0 H GLY A 74 -26.848 4.766 -3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -27.170 5.266 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -26.219 3.898 -1.523 1.00 0.00 H new ATOM 1161 N GLN A 75 -24.452 5.795 -0.992 1.00 0.00 N ATOM 1162 CA GLN A 75 -23.244 6.616 -1.053 1.00 0.00 C ATOM 1163 C GLN A 75 -22.012 5.816 -0.635 1.00 0.00 C ATOM 1164 O GLN A 75 -22.045 5.086 0.353 1.00 0.00 O ATOM 1165 CB GLN A 75 -23.391 7.848 -0.157 1.00 0.00 C ATOM 1166 CG GLN A 75 -24.457 8.823 -0.631 1.00 0.00 C ATOM 1167 CD GLN A 75 -24.570 10.043 0.262 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -23.885 11.045 0.054 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -25.440 9.965 1.263 1.00 0.00 N ATOM 0 H GLN A 75 -24.537 5.230 -0.147 1.00 0.00 H new ATOM 0 HA GLN A 75 -23.111 6.938 -2.086 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -23.632 7.524 0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -22.433 8.366 -0.106 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -24.226 9.142 -1.648 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -25.420 8.313 -0.667 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -25.987 9.115 1.398 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -25.561 10.755 1.896 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.927 5.956 -1.394 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.689 5.241 -1.088 1.00 0.00 C ATOM 1180 C VAL A 76 -18.638 6.181 -0.508 1.00 0.00 C ATOM 1181 O VAL A 76 -18.078 7.014 -1.222 1.00 0.00 O ATOM 1182 CB VAL A 76 -19.096 4.552 -2.331 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -18.015 3.564 -1.917 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -20.182 3.854 -3.131 1.00 0.00 C ATOM 0 H VAL A 76 -20.879 6.553 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.952 4.480 -0.353 1.00 0.00 H new ATOM 0 HB VAL A 76 -18.647 5.314 -2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -17.603 3.083 -2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.221 4.093 -1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -18.445 2.808 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -19.739 3.375 -4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.665 3.100 -2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.922 4.585 -3.455 1.00 0.00 H new ATOM 1194 N GLU A 77 -18.373 6.047 0.786 1.00 0.00 N ATOM 1195 CA GLU A 77 -17.376 6.882 1.445 1.00 0.00 C ATOM 1196 C GLU A 77 -15.966 6.484 1.011 1.00 0.00 C ATOM 1197 O GLU A 77 -15.288 5.714 1.691 1.00 0.00 O ATOM 1198 CB GLU A 77 -17.514 6.783 2.968 1.00 0.00 C ATOM 1199 CG GLU A 77 -16.379 7.449 3.734 1.00 0.00 C ATOM 1200 CD GLU A 77 -16.696 7.628 5.206 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -17.407 8.597 5.547 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -16.232 6.800 6.018 1.00 0.00 O ATOM 0 H GLU A 77 -18.832 5.372 1.397 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.548 7.917 1.148 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -18.458 7.238 3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.563 5.732 3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.475 6.849 3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.168 8.422 3.290 1.00 0.00 H new ATOM 1209 N ILE A 78 -15.539 7.002 -0.137 1.00 0.00 N ATOM 1210 CA ILE A 78 -14.210 6.713 -0.661 1.00 0.00 C ATOM 1211 C ILE A 78 -13.298 7.919 -0.481 1.00 0.00 C ATOM 1212 O ILE A 78 -13.723 9.061 -0.657 1.00 0.00 O ATOM 1213 CB ILE A 78 -14.255 6.322 -2.153 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -14.986 4.988 -2.331 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -12.850 6.243 -2.734 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -14.310 3.820 -1.641 1.00 0.00 C ATOM 0 H ILE A 78 -16.096 7.625 -0.722 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.817 5.866 -0.099 1.00 0.00 H new ATOM 0 HB ILE A 78 -14.802 7.094 -2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -16.001 5.087 -1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -15.069 4.770 -3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.907 5.966 -3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.362 7.213 -2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -12.274 5.493 -2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.887 2.912 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.305 3.693 -2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -14.251 4.015 -0.570 1.00 0.00 H new ATOM 1228 N LYS A 79 -12.045 7.659 -0.131 1.00 0.00 N ATOM 1229 CA LYS A 79 -11.084 8.729 0.090 1.00 0.00 C ATOM 1230 C LYS A 79 -9.667 8.189 0.161 1.00 0.00 C ATOM 1231 O LYS A 79 -8.740 8.764 -0.408 1.00 0.00 O ATOM 1232 CB LYS A 79 -11.411 9.471 1.392 1.00 0.00 C ATOM 1233 CG LYS A 79 -11.334 8.607 2.648 1.00 0.00 C ATOM 1234 CD LYS A 79 -12.350 7.474 2.631 1.00 0.00 C ATOM 1235 CE LYS A 79 -12.533 6.871 4.013 1.00 0.00 C ATOM 1236 NZ LYS A 79 -13.422 5.676 3.985 1.00 0.00 N ATOM 0 H LYS A 79 -11.672 6.719 0.005 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.152 9.417 -0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.723 10.310 1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -12.414 9.890 1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.331 8.191 2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.502 9.230 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.307 7.847 2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.023 6.701 1.936 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.561 6.591 4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.954 7.621 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.059 5.698 4.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.985 5.683 3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.844 4.812 4.018 1.00 0.00 H new ATOM 1250 N THR A 80 -9.509 7.080 0.865 1.00 0.00 N ATOM 1251 CA THR A 80 -8.206 6.464 1.040 1.00 0.00 C ATOM 1252 C THR A 80 -7.727 5.753 -0.220 1.00 0.00 C ATOM 1253 O THR A 80 -6.738 5.020 -0.180 1.00 0.00 O ATOM 1254 CB THR A 80 -8.238 5.471 2.212 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.965 4.294 1.841 1.00 0.00 O ATOM 1256 CG2 THR A 80 -8.890 6.116 3.427 1.00 0.00 C ATOM 0 H THR A 80 -10.273 6.586 1.327 1.00 0.00 H new ATOM 0 HA THR A 80 -7.501 7.267 1.255 1.00 0.00 H new ATOM 0 HB THR A 80 -7.214 5.193 2.462 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.116 3.739 2.635 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.907 5.404 4.252 1.00 0.00 H new ATOM 0 HG22 THR A 80 -8.320 6.997 3.721 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.910 6.410 3.180 1.00 0.00 H new ATOM 1264 N ASP A 81 -8.425 5.966 -1.338 1.00 0.00 N ATOM 1265 CA ASP A 81 -8.031 5.345 -2.603 1.00 0.00 C ATOM 1266 C ASP A 81 -8.068 3.825 -2.516 1.00 0.00 C ATOM 1267 O ASP A 81 -7.615 3.128 -3.425 1.00 0.00 O ATOM 1268 CB ASP A 81 -6.618 5.781 -2.958 1.00 0.00 C ATOM 1269 CG ASP A 81 -6.506 7.277 -3.180 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -6.781 7.730 -4.311 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -6.145 7.995 -2.224 1.00 0.00 O ATOM 0 H ASP A 81 -9.255 6.556 -1.393 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.738 5.664 -3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.939 5.485 -2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.297 5.259 -3.859 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.606 3.325 -1.414 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.705 1.890 -1.180 1.00 0.00 C ATOM 1278 C LEU A 82 -7.308 1.283 -1.086 1.00 0.00 C ATOM 1279 O LEU A 82 -6.985 0.346 -1.808 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.499 1.216 -2.303 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.978 1.608 -2.408 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -11.632 1.620 -1.034 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -11.129 2.962 -3.084 1.00 0.00 C ATOM 0 H LEU A 82 -8.985 3.898 -0.660 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.230 1.724 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.014 1.445 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.438 0.136 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.484 0.861 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.681 1.901 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.562 0.627 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.122 2.341 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.186 3.221 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.605 3.720 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.705 2.917 -4.087 1.00 0.00 H new ATOM 1295 N SER A 83 -6.492 1.814 -0.185 1.00 0.00 N ATOM 1296 CA SER A 83 -5.127 1.320 -0.014 1.00 0.00 C ATOM 1297 C SER A 83 -5.070 0.101 0.907 1.00 0.00 C ATOM 1298 O SER A 83 -4.116 -0.055 1.670 1.00 0.00 O ATOM 1299 CB SER A 83 -4.229 2.430 0.536 1.00 0.00 C ATOM 1300 OG SER A 83 -4.689 2.882 1.799 1.00 0.00 O ATOM 0 H SER A 83 -6.747 2.582 0.436 1.00 0.00 H new ATOM 0 HA SER A 83 -4.767 1.011 -0.995 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.207 2.063 0.628 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.206 3.264 -0.165 1.00 0.00 H new ATOM 0 HG SER A 83 -4.097 3.590 2.129 1.00 0.00 H new ATOM 1306 N PHE A 84 -6.072 -0.777 0.807 1.00 0.00 N ATOM 1307 CA PHE A 84 -6.143 -1.991 1.626 1.00 0.00 C ATOM 1308 C PHE A 84 -6.095 -1.670 3.116 1.00 0.00 C ATOM 1309 O PHE A 84 -5.320 -0.822 3.554 1.00 0.00 O ATOM 1310 CB PHE A 84 -5.004 -2.949 1.269 1.00 0.00 C ATOM 1311 CG PHE A 84 -5.011 -4.221 2.073 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.733 -5.323 1.644 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -4.298 -4.314 3.258 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -5.744 -6.493 2.382 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -4.305 -5.480 3.999 1.00 0.00 C ATOM 1316 CZ PHE A 84 -5.029 -6.571 3.560 1.00 0.00 C ATOM 0 H PHE A 84 -6.853 -0.668 0.160 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.099 -2.469 1.411 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.069 -3.198 0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.052 -2.440 1.419 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.294 -5.268 0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.730 -3.464 3.606 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.312 -7.345 2.037 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.745 -5.538 4.921 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.036 -7.484 4.137 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.924 -2.352 3.900 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.938 -2.124 5.328 1.00 0.00 C ATOM 1328 C GLY A 85 -7.800 -0.939 5.702 1.00 0.00 C ATOM 1329 O GLY A 85 -7.478 -0.201 6.634 1.00 0.00 O ATOM 0 H GLY A 85 -7.584 -3.056 3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.308 -3.016 5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.920 -1.957 5.679 1.00 0.00 H new ATOM 1333 N SER A 86 -8.901 -0.751 4.976 1.00 0.00 N ATOM 1334 CA SER A 86 -9.792 0.366 5.249 1.00 0.00 C ATOM 1335 C SER A 86 -11.259 -0.030 5.215 1.00 0.00 C ATOM 1336 O SER A 86 -11.650 -1.038 4.626 1.00 0.00 O ATOM 1337 CB SER A 86 -9.553 1.507 4.261 1.00 0.00 C ATOM 1338 OG SER A 86 -9.625 1.051 2.921 1.00 0.00 O ATOM 0 H SER A 86 -9.192 -1.352 4.204 1.00 0.00 H new ATOM 0 HA SER A 86 -9.560 0.699 6.261 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.294 2.291 4.421 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.574 1.951 4.444 1.00 0.00 H new ATOM 0 HG SER A 86 -9.470 1.802 2.311 1.00 0.00 H new ATOM 1344 N GLN A 87 -12.050 0.804 5.868 1.00 0.00 N ATOM 1345 CA GLN A 87 -13.485 0.610 5.949 1.00 0.00 C ATOM 1346 C GLN A 87 -14.193 1.757 5.236 1.00 0.00 C ATOM 1347 O GLN A 87 -13.842 2.923 5.422 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.919 0.515 7.419 1.00 0.00 C ATOM 1349 CG GLN A 87 -15.364 0.914 7.681 1.00 0.00 C ATOM 1350 CD GLN A 87 -15.508 2.395 7.972 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -15.366 2.833 9.114 1.00 0.00 O ATOM 1352 NE2 GLN A 87 -15.807 3.172 6.940 1.00 0.00 N ATOM 0 H GLN A 87 -11.714 1.634 6.356 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.760 -0.323 5.458 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.771 -0.509 7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.266 1.150 8.018 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.973 0.655 6.815 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.750 0.341 8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.915 2.766 6.011 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.929 4.176 7.076 1.00 0.00 H new ATOM 1361 N ILE A 88 -15.171 1.425 4.400 1.00 0.00 N ATOM 1362 CA ILE A 88 -15.921 2.438 3.664 1.00 0.00 C ATOM 1363 C ILE A 88 -17.413 2.303 3.932 1.00 0.00 C ATOM 1364 O ILE A 88 -18.084 1.435 3.373 1.00 0.00 O ATOM 1365 CB ILE A 88 -15.659 2.360 2.145 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -15.855 0.932 1.633 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -14.254 2.852 1.827 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.945 0.835 0.126 1.00 0.00 C ATOM 0 H ILE A 88 -15.463 0.465 4.215 1.00 0.00 H new ATOM 0 HA ILE A 88 -15.575 3.409 4.018 1.00 0.00 H new ATOM 0 HB ILE A 88 -16.378 3.004 1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -15.027 0.314 1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -16.765 0.520 2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -14.082 2.792 0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.148 3.886 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.525 2.231 2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -16.084 -0.207 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -16.791 1.425 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -15.026 1.216 -0.319 1.00 0.00 H new ATOM 1380 N GLU A 89 -17.930 3.164 4.800 1.00 0.00 N ATOM 1381 CA GLU A 89 -19.338 3.135 5.151 1.00 0.00 C ATOM 1382 C GLU A 89 -20.203 3.682 4.023 1.00 0.00 C ATOM 1383 O GLU A 89 -19.927 4.748 3.471 1.00 0.00 O ATOM 1384 CB GLU A 89 -19.575 3.931 6.434 1.00 0.00 C ATOM 1385 CG GLU A 89 -19.524 3.080 7.691 1.00 0.00 C ATOM 1386 CD GLU A 89 -19.736 3.889 8.955 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -20.905 4.189 9.280 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -18.734 4.220 9.622 1.00 0.00 O ATOM 0 H GLU A 89 -17.392 3.890 5.272 1.00 0.00 H new ATOM 0 HA GLU A 89 -19.623 2.096 5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.826 4.719 6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -20.547 4.420 6.375 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -20.286 2.303 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -18.559 2.576 7.745 1.00 0.00 H new ATOM 1395 N PHE A 90 -21.249 2.937 3.687 1.00 0.00 N ATOM 1396 CA PHE A 90 -22.167 3.331 2.627 1.00 0.00 C ATOM 1397 C PHE A 90 -23.381 4.043 3.211 1.00 0.00 C ATOM 1398 O PHE A 90 -23.749 3.806 4.361 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.613 2.097 1.841 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.470 1.237 1.382 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.919 0.290 2.230 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.946 1.375 0.104 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.870 -0.504 1.814 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.895 0.582 -0.316 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.356 -0.358 0.541 1.00 0.00 C ATOM 0 H PHE A 90 -21.483 2.052 4.137 1.00 0.00 H new ATOM 0 HA PHE A 90 -21.652 4.017 1.955 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -23.280 1.500 2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -23.189 2.417 0.973 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -21.315 0.172 3.228 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -21.364 2.109 -0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.451 -1.240 2.484 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.496 0.697 -1.313 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.534 -0.978 0.216 1.00 0.00 H new ATOM 1415 N SER A 91 -23.992 4.930 2.431 1.00 0.00 N ATOM 1416 CA SER A 91 -25.164 5.665 2.887 1.00 0.00 C ATOM 1417 C SER A 91 -26.270 5.662 1.836 1.00 0.00 C ATOM 1418 O SER A 91 -26.149 6.279 0.781 1.00 0.00 O ATOM 1419 CB SER A 91 -24.789 7.103 3.239 1.00 0.00 C ATOM 1420 OG SER A 91 -23.819 7.141 4.272 1.00 0.00 O ATOM 0 H SER A 91 -23.694 5.156 1.482 1.00 0.00 H new ATOM 0 HA SER A 91 -25.540 5.162 3.778 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.402 7.608 2.354 1.00 0.00 H new ATOM 0 HB3 SER A 91 -25.680 7.648 3.552 1.00 0.00 H new ATOM 0 HG SER A 91 -23.596 8.073 4.477 1.00 0.00 H new ATOM 1426 N CYS A 92 -27.357 4.978 2.160 1.00 0.00 N ATOM 1427 CA CYS A 92 -28.484 4.913 1.237 1.00 0.00 C ATOM 1428 C CYS A 92 -29.292 6.202 1.349 1.00 0.00 C ATOM 1429 O CYS A 92 -29.752 6.566 2.432 1.00 0.00 O ATOM 1430 CB CYS A 92 -29.360 3.687 1.510 1.00 0.00 C ATOM 1431 SG CYS A 92 -28.568 2.096 1.093 1.00 0.00 S ATOM 0 H CYS A 92 -27.484 4.470 3.035 1.00 0.00 H new ATOM 0 HA CYS A 92 -28.106 4.811 0.220 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -29.635 3.678 2.565 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -30.285 3.780 0.940 1.00 0.00 H new ATOM 1436 N SER A 93 -29.449 6.892 0.220 1.00 0.00 N ATOM 1437 CA SER A 93 -30.174 8.166 0.183 1.00 0.00 C ATOM 1438 C SER A 93 -31.512 8.098 0.910 1.00 0.00 C ATOM 1439 O SER A 93 -32.000 7.020 1.247 1.00 0.00 O ATOM 1440 CB SER A 93 -30.408 8.606 -1.262 1.00 0.00 C ATOM 1441 OG SER A 93 -30.932 7.545 -2.042 1.00 0.00 O ATOM 0 H SER A 93 -29.084 6.591 -0.684 1.00 0.00 H new ATOM 0 HA SER A 93 -29.549 8.895 0.699 1.00 0.00 H new ATOM 0 HB2 SER A 93 -31.098 9.450 -1.281 1.00 0.00 H new ATOM 0 HB3 SER A 93 -29.470 8.951 -1.696 1.00 0.00 H new ATOM 0 HG SER A 93 -31.074 7.854 -2.961 1.00 0.00 H new ATOM 1447 N GLU A 94 -32.100 9.271 1.136 1.00 0.00 N ATOM 1448 CA GLU A 94 -33.384 9.382 1.818 1.00 0.00 C ATOM 1449 C GLU A 94 -34.389 8.369 1.275 1.00 0.00 C ATOM 1450 O GLU A 94 -34.325 7.975 0.110 1.00 0.00 O ATOM 1451 CB GLU A 94 -33.927 10.808 1.665 1.00 0.00 C ATOM 1452 CG GLU A 94 -35.423 10.925 1.896 1.00 0.00 C ATOM 1453 CD GLU A 94 -35.921 12.353 1.793 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -36.109 12.837 0.657 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -36.126 12.988 2.850 1.00 0.00 O ATOM 0 H GLU A 94 -31.701 10.166 0.853 1.00 0.00 H new ATOM 0 HA GLU A 94 -33.233 9.164 2.875 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -33.409 11.461 2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -33.695 11.169 0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -35.948 10.308 1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -35.666 10.530 2.882 1.00 0.00 H new ATOM 1462 N GLY A 95 -35.324 7.964 2.132 1.00 0.00 N ATOM 1463 CA GLY A 95 -36.338 6.999 1.743 1.00 0.00 C ATOM 1464 C GLY A 95 -35.795 5.589 1.602 1.00 0.00 C ATOM 1465 O GLY A 95 -36.503 4.621 1.879 1.00 0.00 O ATOM 0 H GLY A 95 -35.397 8.290 3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -37.137 7.002 2.484 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -36.781 7.308 0.796 1.00 0.00 H new ATOM 1469 N PHE A 96 -34.544 5.464 1.175 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.938 4.152 0.987 1.00 0.00 C ATOM 1471 C PHE A 96 -32.868 3.920 2.049 1.00 0.00 C ATOM 1472 O PHE A 96 -31.958 4.731 2.206 1.00 0.00 O ATOM 1473 CB PHE A 96 -33.318 4.042 -0.409 1.00 0.00 C ATOM 1474 CG PHE A 96 -34.155 4.661 -1.494 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -35.257 3.994 -2.005 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -33.840 5.911 -2.002 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -36.029 4.562 -3.000 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -34.609 6.485 -2.997 1.00 0.00 C ATOM 1479 CZ PHE A 96 -35.704 5.810 -3.497 1.00 0.00 C ATOM 0 H PHE A 96 -33.933 6.250 0.954 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.714 3.392 1.084 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -32.339 4.521 -0.400 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -33.156 2.990 -0.643 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -35.515 3.018 -1.621 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -32.983 6.443 -1.616 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -36.885 4.031 -3.389 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -34.353 7.461 -3.383 1.00 0.00 H new ATOM 0 HZ PHE A 96 -36.306 6.256 -4.275 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.984 2.821 2.788 1.00 0.00 N ATOM 1490 CA PHE A 97 -32.013 2.513 3.830 1.00 0.00 C ATOM 1491 C PHE A 97 -30.959 1.536 3.330 1.00 0.00 C ATOM 1492 O PHE A 97 -31.083 0.937 2.262 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.708 1.973 5.084 1.00 0.00 C ATOM 1494 CG PHE A 97 -33.325 0.612 4.925 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -34.537 0.456 4.273 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.704 -0.509 5.455 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -35.117 -0.792 4.146 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.283 -1.759 5.336 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.489 -1.900 4.679 1.00 0.00 C ATOM 0 H PHE A 97 -33.733 2.136 2.686 1.00 0.00 H new ATOM 0 HA PHE A 97 -31.507 3.441 4.097 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -31.983 1.935 5.897 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -33.485 2.676 5.383 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -35.035 1.320 3.859 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -31.758 -0.405 5.966 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -36.060 -0.900 3.631 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -32.792 -2.624 5.757 1.00 0.00 H new ATOM 0 HZ PHE A 97 -34.941 -2.876 4.582 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.920 1.394 4.145 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.801 0.521 3.827 1.00 0.00 C ATOM 1511 C LEU A 98 -29.042 -0.911 4.286 1.00 0.00 C ATOM 1512 O LEU A 98 -29.578 -1.153 5.367 1.00 0.00 O ATOM 1513 CB LEU A 98 -27.526 1.068 4.462 1.00 0.00 C ATOM 1514 CG LEU A 98 -26.242 0.309 4.118 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -26.285 -0.221 2.695 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -25.043 1.213 4.303 1.00 0.00 C ATOM 0 H LEU A 98 -29.831 1.878 5.038 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.694 0.500 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -27.406 2.108 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -27.650 1.066 5.545 1.00 0.00 H new ATOM 0 HG LEU A 98 -26.157 -0.543 4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -25.360 -0.756 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -27.131 -0.899 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -26.395 0.611 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -24.133 0.666 4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -25.135 2.078 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -24.996 1.547 5.339 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.630 -1.854 3.443 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.752 -3.284 3.706 1.00 0.00 C ATOM 1530 C ILE A 99 -27.750 -4.031 2.848 1.00 0.00 C ATOM 1531 O ILE A 99 -27.917 -4.180 1.638 1.00 0.00 O ATOM 1532 CB ILE A 99 -30.149 -3.818 3.353 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -31.104 -2.662 3.094 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -30.668 -4.715 4.464 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.345 -3.050 2.323 1.00 0.00 C ATOM 0 H ILE A 99 -28.196 -1.642 2.545 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.573 -3.436 4.770 1.00 0.00 H new ATOM 0 HB ILE A 99 -30.080 -4.413 2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -31.403 -2.230 4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -30.575 -1.884 2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -31.658 -5.086 4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -29.989 -5.557 4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -30.729 -4.147 5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.974 -2.171 2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -32.059 -3.454 1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -32.899 -3.805 2.881 1.00 0.00 H new ATOM 1547 N GLY A 100 -26.707 -4.496 3.513 1.00 0.00 N ATOM 1548 CA GLY A 100 -25.637 -5.212 2.852 1.00 0.00 C ATOM 1549 C GLY A 100 -24.303 -4.888 3.477 1.00 0.00 C ATOM 1550 O GLY A 100 -23.307 -4.696 2.778 1.00 0.00 O ATOM 0 H GLY A 100 -26.581 -4.388 4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -25.820 -6.285 2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.620 -4.951 1.794 1.00 0.00 H new ATOM 1554 N SER A 101 -24.297 -4.820 4.802 1.00 0.00 N ATOM 1555 CA SER A 101 -23.096 -4.491 5.558 1.00 0.00 C ATOM 1556 C SER A 101 -22.703 -3.043 5.293 1.00 0.00 C ATOM 1557 O SER A 101 -22.136 -2.727 4.248 1.00 0.00 O ATOM 1558 CB SER A 101 -21.943 -5.429 5.188 1.00 0.00 C ATOM 1559 OG SER A 101 -20.830 -5.231 6.041 1.00 0.00 O ATOM 0 H SER A 101 -25.120 -4.990 5.380 1.00 0.00 H new ATOM 0 HA SER A 101 -23.308 -4.618 6.620 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.277 -6.464 5.255 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.647 -5.256 4.153 1.00 0.00 H new ATOM 0 HG SER A 101 -20.228 -4.567 5.645 1.00 0.00 H new ATOM 1565 N THR A 102 -23.009 -2.163 6.243 1.00 0.00 N ATOM 1566 CA THR A 102 -22.701 -0.747 6.094 1.00 0.00 C ATOM 1567 C THR A 102 -21.203 -0.518 6.075 1.00 0.00 C ATOM 1568 O THR A 102 -20.737 0.594 5.837 1.00 0.00 O ATOM 1569 CB THR A 102 -23.329 0.093 7.223 1.00 0.00 C ATOM 1570 OG1 THR A 102 -22.684 -0.200 8.468 1.00 0.00 O ATOM 1571 CG2 THR A 102 -24.819 -0.189 7.342 1.00 0.00 C ATOM 0 H THR A 102 -23.468 -2.406 7.121 1.00 0.00 H new ATOM 0 HA THR A 102 -23.128 -0.428 5.143 1.00 0.00 H new ATOM 0 HB THR A 102 -23.192 1.147 6.981 1.00 0.00 H new ATOM 0 HG1 THR A 102 -23.087 0.339 9.180 1.00 0.00 H new ATOM 0 HG21 THR A 102 -25.241 0.415 8.145 1.00 0.00 H new ATOM 0 HG22 THR A 102 -25.313 0.061 6.403 1.00 0.00 H new ATOM 0 HG23 THR A 102 -24.973 -1.245 7.563 1.00 0.00 H new ATOM 1579 N THR A 103 -20.452 -1.574 6.327 1.00 0.00 N ATOM 1580 CA THR A 103 -19.010 -1.488 6.314 1.00 0.00 C ATOM 1581 C THR A 103 -18.463 -2.343 5.188 1.00 0.00 C ATOM 1582 O THR A 103 -19.112 -3.295 4.755 1.00 0.00 O ATOM 1583 CB THR A 103 -18.412 -1.937 7.649 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.702 -3.320 7.884 1.00 0.00 O ATOM 1585 CG2 THR A 103 -18.961 -1.093 8.787 1.00 0.00 C ATOM 0 H THR A 103 -20.820 -2.500 6.543 1.00 0.00 H new ATOM 0 HA THR A 103 -18.730 -0.446 6.156 1.00 0.00 H new ATOM 0 HB THR A 103 -17.331 -1.805 7.603 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.312 -3.595 8.740 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.526 -1.425 9.729 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.707 -0.046 8.619 1.00 0.00 H new ATOM 0 HG23 THR A 103 -20.045 -1.201 8.830 1.00 0.00 H new ATOM 1593 N SER A 104 -17.274 -2.009 4.709 1.00 0.00 N ATOM 1594 CA SER A 104 -16.642 -2.780 3.656 1.00 0.00 C ATOM 1595 C SER A 104 -15.134 -2.778 3.873 1.00 0.00 C ATOM 1596 O SER A 104 -14.485 -1.736 3.772 1.00 0.00 O ATOM 1597 CB SER A 104 -16.986 -2.207 2.281 1.00 0.00 C ATOM 1598 OG SER A 104 -16.828 -3.183 1.267 1.00 0.00 O ATOM 0 H SER A 104 -16.730 -1.210 5.034 1.00 0.00 H new ATOM 0 HA SER A 104 -17.013 -3.804 3.691 1.00 0.00 H new ATOM 0 HB2 SER A 104 -18.013 -1.843 2.282 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.345 -1.351 2.069 1.00 0.00 H new ATOM 0 HG SER A 104 -16.013 -2.995 0.756 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.584 -3.946 4.170 1.00 0.00 N ATOM 1605 CA ARG A 105 -13.152 -4.088 4.421 1.00 0.00 C ATOM 1606 C ARG A 105 -12.430 -4.614 3.188 1.00 0.00 C ATOM 1607 O ARG A 105 -12.999 -5.360 2.392 1.00 0.00 O ATOM 1608 CB ARG A 105 -12.915 -5.027 5.605 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.644 -4.604 6.870 1.00 0.00 C ATOM 1610 CD ARG A 105 -13.326 -5.524 8.037 1.00 0.00 C ATOM 1611 NE ARG A 105 -13.699 -6.910 7.761 1.00 0.00 N ATOM 1612 CZ ARG A 105 -13.604 -7.892 8.654 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -13.150 -7.642 9.875 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -13.964 -9.125 8.325 1.00 0.00 N ATOM 0 H ARG A 105 -15.110 -4.817 4.244 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.751 -3.103 4.658 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.234 -6.033 5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.846 -5.077 5.811 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.365 -3.582 7.126 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.719 -4.605 6.688 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.260 -5.473 8.258 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.853 -5.177 8.926 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.052 -7.137 6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.872 -6.695 10.132 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.078 -8.397 10.557 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.314 -9.321 7.387 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.891 -9.877 9.010 1.00 0.00 H new ATOM 1628 N CYS A 106 -11.169 -4.231 3.049 1.00 0.00 N ATOM 1629 CA CYS A 106 -10.358 -4.643 1.915 1.00 0.00 C ATOM 1630 C CYS A 106 -9.496 -5.838 2.284 1.00 0.00 C ATOM 1631 O CYS A 106 -8.637 -5.749 3.161 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.476 -3.487 1.454 1.00 0.00 C ATOM 1633 SG CYS A 106 -8.433 -3.880 0.018 1.00 0.00 S ATOM 0 H CYS A 106 -10.683 -3.630 3.715 1.00 0.00 H new ATOM 0 HA CYS A 106 -11.022 -4.931 1.100 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -10.110 -2.636 1.207 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.837 -3.179 2.281 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.731 -6.956 1.613 1.00 0.00 N ATOM 1639 CA GLU A 107 -9.007 -8.183 1.894 1.00 0.00 C ATOM 1640 C GLU A 107 -8.215 -8.643 0.673 1.00 0.00 C ATOM 1641 O GLU A 107 -8.375 -8.107 -0.419 1.00 0.00 O ATOM 1642 CB GLU A 107 -10.003 -9.254 2.337 1.00 0.00 C ATOM 1643 CG GLU A 107 -9.361 -10.525 2.864 1.00 0.00 C ATOM 1644 CD GLU A 107 -10.379 -11.528 3.367 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -10.892 -11.341 4.490 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -10.664 -12.501 2.638 1.00 0.00 O ATOM 0 H GLU A 107 -10.422 -7.037 0.867 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.289 -8.004 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.646 -8.837 3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.645 -9.508 1.493 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.767 -10.982 2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.675 -10.273 3.673 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.360 -9.638 0.876 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.538 -10.162 -0.210 1.00 0.00 C ATOM 1655 C VAL A 108 -6.436 -11.685 -0.184 1.00 0.00 C ATOM 1656 O VAL A 108 -6.162 -12.292 0.852 1.00 0.00 O ATOM 1657 CB VAL A 108 -5.122 -9.548 -0.188 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -4.179 -10.310 -1.108 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -5.171 -8.083 -0.588 1.00 0.00 C ATOM 0 H VAL A 108 -7.217 -10.096 1.776 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.040 -9.875 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.741 -9.624 0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.189 -9.855 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.113 -11.348 -0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.558 -10.273 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.164 -7.666 -0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.580 -7.994 -1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.805 -7.536 0.110 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.660 -12.281 -1.351 1.00 0.00 N ATOM 1670 CA GLN A 109 -6.596 -13.733 -1.484 1.00 0.00 C ATOM 1671 C GLN A 109 -6.095 -14.158 -2.863 1.00 0.00 C ATOM 1672 O GLN A 109 -6.669 -15.049 -3.492 1.00 0.00 O ATOM 1673 CB GLN A 109 -7.979 -14.332 -1.222 1.00 0.00 C ATOM 1674 CG GLN A 109 -9.065 -13.757 -2.118 1.00 0.00 C ATOM 1675 CD GLN A 109 -10.456 -14.221 -1.731 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -10.918 -15.270 -2.180 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -11.136 -13.435 -0.903 1.00 0.00 N ATOM 0 H GLN A 109 -6.886 -11.785 -2.213 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.884 -14.106 -0.748 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -7.933 -15.411 -1.366 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.250 -14.161 -0.180 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.026 -12.669 -2.076 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -8.866 -14.043 -3.151 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.714 -12.574 -0.555 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.080 -13.693 -0.615 1.00 0.00 H new ATOM 1686 N ASP A 110 -5.016 -13.530 -3.321 1.00 0.00 N ATOM 1687 CA ASP A 110 -4.438 -13.850 -4.621 1.00 0.00 C ATOM 1688 C ASP A 110 -3.185 -13.019 -4.878 1.00 0.00 C ATOM 1689 O ASP A 110 -2.085 -13.390 -4.467 1.00 0.00 O ATOM 1690 CB ASP A 110 -5.463 -13.618 -5.736 1.00 0.00 C ATOM 1691 CG ASP A 110 -4.926 -13.979 -7.106 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -4.745 -15.186 -7.374 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -4.685 -13.056 -7.911 1.00 0.00 O ATOM 0 H ASP A 110 -4.525 -12.796 -2.810 1.00 0.00 H new ATOM 0 HA ASP A 110 -4.157 -14.903 -4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -6.356 -14.209 -5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -5.767 -12.571 -5.733 1.00 0.00 H new ATOM 1698 N ARG A 111 -3.364 -11.897 -5.557 1.00 0.00 N ATOM 1699 CA ARG A 111 -2.267 -10.998 -5.873 1.00 0.00 C ATOM 1700 C ARG A 111 -2.804 -9.688 -6.429 1.00 0.00 C ATOM 1701 O ARG A 111 -2.041 -8.810 -6.839 1.00 0.00 O ATOM 1702 CB ARG A 111 -1.313 -11.650 -6.875 1.00 0.00 C ATOM 1703 CG ARG A 111 -1.902 -11.813 -8.266 1.00 0.00 C ATOM 1704 CD ARG A 111 -0.898 -12.429 -9.227 1.00 0.00 C ATOM 1705 NE ARG A 111 -0.492 -13.770 -8.813 1.00 0.00 N ATOM 1706 CZ ARG A 111 0.471 -14.467 -9.409 1.00 0.00 C ATOM 1707 NH1 ARG A 111 1.124 -13.954 -10.442 1.00 0.00 N ATOM 1708 NH2 ARG A 111 0.780 -15.680 -8.971 1.00 0.00 N ATOM 0 H ARG A 111 -4.271 -11.585 -5.903 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.715 -10.788 -4.957 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -0.406 -11.049 -6.943 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -1.019 -12.630 -6.498 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -2.791 -12.442 -8.215 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -2.220 -10.841 -8.644 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -1.333 -12.475 -10.225 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -0.019 -11.788 -9.292 1.00 0.00 H new ATOM 0 HE ARG A 111 -0.975 -14.196 -8.022 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.888 -13.022 -10.782 1.00 0.00 H new ATOM 0 HH12 ARG A 111 1.862 -14.491 -10.897 1.00 0.00 H new ATOM 0 HH21 ARG A 111 0.279 -16.078 -8.177 1.00 0.00 H new ATOM 0 HH22 ARG A 111 1.519 -16.215 -9.428 1.00 0.00 H new ATOM 1722 N GLY A 112 -4.126 -9.566 -6.437 1.00 0.00 N ATOM 1723 CA GLY A 112 -4.762 -8.364 -6.935 1.00 0.00 C ATOM 1724 C GLY A 112 -5.859 -7.882 -6.018 1.00 0.00 C ATOM 1725 O GLY A 112 -6.752 -7.145 -6.437 1.00 0.00 O ATOM 0 H GLY A 112 -4.771 -10.283 -6.105 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -4.014 -7.579 -7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.176 -8.557 -7.925 1.00 0.00 H new ATOM 1729 N VAL A 113 -5.781 -8.301 -4.759 1.00 0.00 N ATOM 1730 CA VAL A 113 -6.761 -7.912 -3.750 1.00 0.00 C ATOM 1731 C VAL A 113 -8.151 -8.439 -4.088 1.00 0.00 C ATOM 1732 O VAL A 113 -8.534 -8.540 -5.255 1.00 0.00 O ATOM 1733 CB VAL A 113 -6.807 -6.387 -3.570 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -7.223 -6.034 -2.155 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -5.448 -5.779 -3.893 1.00 0.00 C ATOM 0 H VAL A 113 -5.044 -8.914 -4.411 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.442 -8.361 -2.810 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.545 -5.976 -4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -7.251 -4.950 -2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -8.212 -6.445 -1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.505 -6.453 -1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.493 -4.698 -3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.695 -6.195 -3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.183 -6.009 -4.925 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.895 -8.775 -3.044 1.00 0.00 N ATOM 1746 CA GLY A 114 -10.214 -9.329 -3.289 1.00 0.00 C ATOM 1747 C GLY A 114 -11.330 -8.802 -2.407 1.00 0.00 C ATOM 1748 O GLY A 114 -11.623 -9.415 -1.381 1.00 0.00 O ATOM 0 H GLY A 114 -8.624 -8.680 -2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.479 -9.139 -4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.161 -10.411 -3.166 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.957 -7.683 -2.765 1.00 0.00 N ATOM 1753 CA TRP A 115 -13.058 -7.120 -1.978 1.00 0.00 C ATOM 1754 C TRP A 115 -14.003 -8.204 -1.475 1.00 0.00 C ATOM 1755 O TRP A 115 -14.335 -9.141 -2.200 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.853 -6.101 -2.802 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.398 -4.685 -2.621 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -12.798 -3.889 -3.554 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.512 -3.891 -1.433 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.537 -2.650 -3.019 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -12.962 -2.628 -1.720 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -14.025 -4.125 -0.157 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -12.912 -1.604 -0.779 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -13.974 -3.108 0.778 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.421 -1.861 0.462 1.00 0.00 C ATOM 0 H TRP A 115 -11.722 -7.144 -3.599 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.610 -6.622 -1.118 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.778 -6.364 -3.857 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.906 -6.171 -2.530 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -12.563 -4.189 -4.565 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.097 -1.873 -3.512 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -14.454 -5.083 0.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.486 -0.641 -1.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -14.367 -3.278 1.769 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.396 -1.087 1.215 1.00 0.00 H new ATOM 1776 N SER A 116 -14.431 -8.067 -0.224 1.00 0.00 N ATOM 1777 CA SER A 116 -15.346 -9.026 0.380 1.00 0.00 C ATOM 1778 C SER A 116 -16.762 -8.820 -0.155 1.00 0.00 C ATOM 1779 O SER A 116 -17.455 -9.779 -0.496 1.00 0.00 O ATOM 1780 CB SER A 116 -15.337 -8.883 1.903 1.00 0.00 C ATOM 1781 OG SER A 116 -16.186 -9.843 2.511 1.00 0.00 O ATOM 0 H SER A 116 -14.158 -7.300 0.391 1.00 0.00 H new ATOM 0 HA SER A 116 -15.014 -10.031 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 116 -14.320 -9.004 2.277 1.00 0.00 H new ATOM 0 HB3 SER A 116 -15.661 -7.880 2.179 1.00 0.00 H new ATOM 0 HG SER A 116 -16.161 -9.732 3.484 1.00 0.00 H new ATOM 1787 N HIS A 117 -17.181 -7.555 -0.225 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.511 -7.201 -0.718 1.00 0.00 C ATOM 1789 C HIS A 117 -18.675 -5.682 -0.789 1.00 0.00 C ATOM 1790 O HIS A 117 -18.676 -5.007 0.241 1.00 0.00 O ATOM 1791 CB HIS A 117 -19.592 -7.792 0.186 1.00 0.00 C ATOM 1792 CG HIS A 117 -20.980 -7.623 -0.351 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -21.900 -6.757 0.200 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -21.604 -8.217 -1.397 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -23.030 -6.825 -0.483 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -22.876 -7.703 -1.457 1.00 0.00 N ATOM 0 H HIS A 117 -16.614 -6.755 0.056 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.619 -7.615 -1.721 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -19.394 -8.854 0.329 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -19.531 -7.321 1.167 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -21.180 -8.957 -2.060 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -23.927 -6.259 -0.279 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -23.587 -7.958 -2.143 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.817 -5.123 -2.004 1.00 0.00 N ATOM 1806 CA PRO A 118 -18.976 -3.692 -2.211 1.00 0.00 C ATOM 1807 C PRO A 118 -20.440 -3.261 -2.244 1.00 0.00 C ATOM 1808 O PRO A 118 -21.310 -3.954 -1.717 1.00 0.00 O ATOM 1809 CB PRO A 118 -18.321 -3.470 -3.585 1.00 0.00 C ATOM 1810 CG PRO A 118 -18.132 -4.835 -4.191 1.00 0.00 C ATOM 1811 CD PRO A 118 -18.821 -5.822 -3.286 1.00 0.00 C ATOM 0 HA PRO A 118 -18.533 -3.110 -1.403 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -18.951 -2.847 -4.220 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -17.366 -2.955 -3.481 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -18.555 -4.873 -5.195 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -17.072 -5.072 -4.283 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -19.833 -6.046 -3.624 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -18.285 -6.770 -3.234 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.683 -2.102 -2.864 1.00 0.00 N ATOM 1820 CA LEU A 119 -22.018 -1.518 -3.010 1.00 0.00 C ATOM 1821 C LEU A 119 -23.135 -2.461 -2.558 1.00 0.00 C ATOM 1822 O LEU A 119 -23.518 -3.377 -3.286 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.231 -1.134 -4.471 1.00 0.00 C ATOM 1824 CG LEU A 119 -20.965 -0.695 -5.211 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -21.274 -0.402 -6.667 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.351 0.519 -4.535 1.00 0.00 C ATOM 0 H LEU A 119 -19.946 -1.536 -3.284 1.00 0.00 H new ATOM 0 HA LEU A 119 -22.066 -0.641 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -22.665 -1.985 -4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -22.960 -0.325 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 119 -20.242 -1.510 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -20.362 -0.091 -7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -21.668 -1.300 -7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -22.014 0.396 -6.728 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -19.452 0.819 -5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -21.068 1.340 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -20.092 0.270 -3.506 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.666 -2.247 -1.340 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.749 -3.069 -0.789 1.00 0.00 C ATOM 1840 C PRO A 120 -26.055 -2.862 -1.547 1.00 0.00 C ATOM 1841 O PRO A 120 -26.047 -2.487 -2.719 1.00 0.00 O ATOM 1842 CB PRO A 120 -24.886 -2.578 0.660 1.00 0.00 C ATOM 1843 CG PRO A 120 -23.663 -1.765 0.926 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.249 -1.200 -0.399 1.00 0.00 C ATOM 0 HA PRO A 120 -24.531 -4.134 -0.863 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -25.789 -1.981 0.788 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.958 -3.416 1.353 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -23.871 -0.970 1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -22.871 -2.380 1.353 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.742 -0.250 -0.606 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.175 -1.019 -0.444 1.00 0.00 H new ATOM 1852 N GLN A 121 -27.178 -3.108 -0.879 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.483 -2.950 -1.500 1.00 0.00 C ATOM 1854 C GLN A 121 -29.278 -1.813 -0.863 1.00 0.00 C ATOM 1855 O GLN A 121 -29.662 -1.888 0.305 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.271 -4.254 -1.392 1.00 0.00 C ATOM 1857 CG GLN A 121 -29.212 -5.110 -2.647 1.00 0.00 C ATOM 1858 CD GLN A 121 -30.076 -6.352 -2.547 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -31.252 -6.336 -2.911 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -29.495 -7.440 -2.052 1.00 0.00 N ATOM 0 H GLN A 121 -27.207 -3.417 0.092 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.324 -2.701 -2.549 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.887 -4.831 -0.551 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -30.313 -4.021 -1.170 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -29.533 -4.516 -3.503 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -28.179 -5.404 -2.833 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -28.517 -7.409 -1.762 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -30.027 -8.306 -1.962 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.519 -0.760 -1.640 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.296 0.366 -1.134 1.00 0.00 C ATOM 1871 C CYS A 122 -31.761 0.186 -1.522 1.00 0.00 C ATOM 1872 O CYS A 122 -32.116 0.268 -2.697 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.759 1.692 -1.671 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.200 2.235 -0.898 1.00 0.00 S ATOM 0 H CYS A 122 -29.195 -0.663 -2.602 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.210 0.391 -0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.606 1.600 -2.746 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.514 2.464 -1.521 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.606 -0.063 -0.525 1.00 0.00 N ATOM 1880 CA GLU A 123 -34.029 -0.280 -0.765 1.00 0.00 C ATOM 1881 C GLU A 123 -34.874 0.670 0.075 1.00 0.00 C ATOM 1882 O GLU A 123 -34.517 1.028 1.197 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.401 -1.731 -0.452 1.00 0.00 C ATOM 1884 CG GLU A 123 -35.885 -2.027 -0.601 1.00 0.00 C ATOM 1885 CD GLU A 123 -36.219 -3.481 -0.334 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -36.489 -3.822 0.837 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -36.214 -4.278 -1.295 1.00 0.00 O ATOM 0 H GLU A 123 -32.330 -0.119 0.455 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.232 -0.079 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -33.840 -2.391 -1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -34.094 -1.964 0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -36.448 -1.396 0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -36.205 -1.764 -1.609 1.00 0.00 H new ATOM 1894 N ILE A 124 -36.007 1.064 -0.500 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.920 1.990 0.157 1.00 0.00 C ATOM 1896 C ILE A 124 -37.486 1.388 1.441 1.00 0.00 C ATOM 1897 O ILE A 124 -37.554 0.169 1.591 1.00 0.00 O ATOM 1898 CB ILE A 124 -38.083 2.380 -0.779 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.944 3.472 -0.137 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.926 1.158 -1.115 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -40.028 4.007 -1.049 1.00 0.00 C ATOM 0 H ILE A 124 -36.314 0.754 -1.422 1.00 0.00 H new ATOM 0 HA ILE A 124 -36.348 2.884 0.406 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.666 2.774 -1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -39.405 3.074 0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -38.300 4.296 0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.742 1.450 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -38.305 0.413 -1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.335 0.735 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -40.596 4.776 -0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -39.573 4.436 -1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -40.696 3.195 -1.336 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.891 2.256 2.363 1.00 0.00 N ATOM 1914 CA LEU A 125 -38.451 1.821 3.637 1.00 0.00 C ATOM 1915 C LEU A 125 -39.876 1.303 3.460 1.00 0.00 C ATOM 1916 O LEU A 125 -40.480 0.787 4.401 1.00 0.00 O ATOM 1917 CB LEU A 125 -38.438 2.980 4.635 1.00 0.00 C ATOM 1918 CG LEU A 125 -37.050 3.523 4.983 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -37.154 4.942 5.519 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -36.363 2.621 5.996 1.00 0.00 C ATOM 0 H LEU A 125 -37.841 3.269 2.250 1.00 0.00 H new ATOM 0 HA LEU A 125 -37.836 1.006 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -39.038 3.794 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -38.924 2.653 5.554 1.00 0.00 H new ATOM 0 HG LEU A 125 -36.449 3.540 4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -36.158 5.313 5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -37.606 5.584 4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -37.772 4.947 6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -35.377 3.023 6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -36.962 2.573 6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -36.256 1.620 5.578 1.00 0.00 H new