USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 594 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 57 GLN : amide:sc= 1.69 K(o=3.1,f=-7!) USER MOD Set 1.2: A 58 THR OG1 : rot 180:sc= -1.49! USER MOD Set 1.3: A 61 THR OG1 : rot -24:sc= 2.93 USER MOD Set 2.1: A 40 LYS NZ :NH3+ -177:sc= 0.861! (180deg=0.643) USER MOD Set 2.2: A 42 SER OG : rot -161:sc= 1.74 USER MOD Set 3.1: A 28 GLN : amide:sc= -1.09 K(o=-0.32,f=-12!) USER MOD Set 3.2: A 32 LYS NZ :NH3+ 173:sc= 0.766 (180deg=0) USER MOD Set 4.1: A 25 THR OG1 : rot 180:sc= -0.031 USER MOD Set 4.2: A 69 MET CE :methyl -131:sc= -0.446 (180deg=-0.732) USER MOD Set 5.1: A 11 THR OG1 : rot 180:sc= 1.15 USER MOD Set 5.2: A 49 THR OG1 : rot 103:sc= 0.838 USER MOD Set 6.1: A 8 ASN : amide:sc= 1.2 K(o=2.9,f=0.8) USER MOD Set 6.2: A 52 TYR OH : rot -163:sc= 1.74 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.066 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -160:sc= -0.252 (180deg=-0.429) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 93:sc= 0.793 USER MOD Single : A 17 MET CE :methyl 163:sc= -3.21 (180deg=-5.27!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.33) USER MOD Single : A 29 GLN : amide:sc= -0.987! C(o=-0.99!,f=-4.5!) USER MOD Single : A 34 ASN : amide:sc= 0.514 K(o=0.51,f=-4.7!) USER MOD Single : A 37 HIS :FLIP no HD1:sc= 0.174 F(o=-1.3!,f=0.17) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -8.69! C(o=-11!,f=-8.7!) USER MOD Single : A 46 LYS NZ :NH3+ -121:sc= 1.4 (180deg=-2.94!) USER MOD Single : A 47 ASN : amide:sc= -2.03! C(o=-2!,f=-4!) USER MOD Single : A 55 LYS NZ :NH3+ -150:sc= 0.89 (180deg=0.175) USER MOD Single : A 60 LYS NZ :NH3+ -166:sc= 0.751 (180deg=0.259) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= 1.21 K(o=1.2,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.306 -19.895 -13.130 1.00 0.00 N ATOM 2 CA MET A 1 5.058 -19.942 -12.308 1.00 0.00 C ATOM 3 C MET A 1 5.410 -19.869 -10.817 1.00 0.00 C ATOM 4 O MET A 1 6.554 -20.033 -10.444 1.00 0.00 O ATOM 5 CB MET A 1 4.407 -21.288 -12.651 1.00 0.00 C ATOM 6 CG MET A 1 2.902 -21.231 -12.368 1.00 0.00 C ATOM 7 SD MET A 1 2.175 -19.798 -13.204 1.00 0.00 S ATOM 8 CE MET A 1 0.486 -20.011 -12.591 1.00 0.00 C ATOM 0 H1 MET A 1 6.261 -19.087 -13.783 1.00 0.00 H new ATOM 0 H2 MET A 1 7.130 -19.789 -12.504 1.00 0.00 H new ATOM 0 H3 MET A 1 6.396 -20.776 -13.675 1.00 0.00 H new ATOM 0 HA MET A 1 4.389 -19.107 -12.516 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.579 -21.527 -13.700 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.866 -22.083 -12.063 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.423 -22.147 -12.713 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.727 -21.165 -11.294 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.148 -19.219 -12.990 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.102 -20.980 -12.911 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.485 -19.963 -11.502 1.00 0.00 H new ATOM 20 N ASP A 2 4.434 -19.627 -9.970 1.00 0.00 N ATOM 21 CA ASP A 2 4.696 -19.549 -8.492 1.00 0.00 C ATOM 22 C ASP A 2 5.887 -18.629 -8.177 1.00 0.00 C ATOM 23 O ASP A 2 6.783 -19.003 -7.442 1.00 0.00 O ATOM 24 CB ASP A 2 4.979 -20.997 -8.071 1.00 0.00 C ATOM 25 CG ASP A 2 3.847 -21.905 -8.555 1.00 0.00 C ATOM 26 OD1 ASP A 2 2.827 -21.950 -7.890 1.00 0.00 O ATOM 27 OD2 ASP A 2 4.018 -22.529 -9.588 1.00 0.00 O ATOM 0 H ASP A 2 3.462 -19.479 -10.240 1.00 0.00 H new ATOM 0 HA ASP A 2 3.852 -19.122 -7.950 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.929 -21.329 -8.490 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.070 -21.060 -6.987 1.00 0.00 H new ATOM 32 N PRO A 3 5.837 -17.424 -8.707 1.00 0.00 N ATOM 33 CA PRO A 3 6.909 -16.439 -8.428 1.00 0.00 C ATOM 34 C PRO A 3 6.777 -15.953 -6.977 1.00 0.00 C ATOM 35 O PRO A 3 7.671 -15.335 -6.431 1.00 0.00 O ATOM 36 CB PRO A 3 6.627 -15.310 -9.418 1.00 0.00 C ATOM 37 CG PRO A 3 5.168 -15.419 -9.723 1.00 0.00 C ATOM 38 CD PRO A 3 4.799 -16.873 -9.594 1.00 0.00 C ATOM 0 HA PRO A 3 7.918 -16.836 -8.538 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.869 -14.338 -8.988 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.228 -15.417 -10.321 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.583 -14.810 -9.033 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.956 -15.055 -10.728 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.803 -16.996 -9.168 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.795 -17.372 -10.563 1.00 0.00 H new ATOM 46 N SER A 4 5.656 -16.239 -6.352 1.00 0.00 N ATOM 47 CA SER A 4 5.444 -15.808 -4.939 1.00 0.00 C ATOM 48 C SER A 4 4.411 -16.706 -4.243 1.00 0.00 C ATOM 49 O SER A 4 3.716 -16.266 -3.347 1.00 0.00 O ATOM 50 CB SER A 4 4.919 -14.373 -5.022 1.00 0.00 C ATOM 51 OG SER A 4 4.124 -14.215 -6.196 1.00 0.00 O ATOM 0 H SER A 4 4.879 -16.754 -6.766 1.00 0.00 H new ATOM 0 HA SER A 4 6.366 -15.876 -4.361 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.326 -14.141 -4.137 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.753 -13.672 -5.040 1.00 0.00 H new ATOM 0 HG SER A 4 3.789 -13.295 -6.243 1.00 0.00 H new ATOM 57 N MET A 5 4.300 -17.955 -4.648 1.00 0.00 N ATOM 58 CA MET A 5 3.306 -18.883 -4.004 1.00 0.00 C ATOM 59 C MET A 5 3.295 -18.683 -2.477 1.00 0.00 C ATOM 60 O MET A 5 4.221 -19.060 -1.784 1.00 0.00 O ATOM 61 CB MET A 5 3.780 -20.301 -4.358 1.00 0.00 C ATOM 62 CG MET A 5 2.586 -21.177 -4.766 1.00 0.00 C ATOM 63 SD MET A 5 1.064 -20.583 -3.983 1.00 0.00 S ATOM 64 CE MET A 5 0.276 -19.942 -5.483 1.00 0.00 C ATOM 0 H MET A 5 4.854 -18.371 -5.396 1.00 0.00 H new ATOM 0 HA MET A 5 2.291 -18.697 -4.355 1.00 0.00 H new ATOM 0 HB2 MET A 5 4.503 -20.257 -5.173 1.00 0.00 H new ATOM 0 HB3 MET A 5 4.290 -20.745 -3.503 1.00 0.00 H new ATOM 0 HG2 MET A 5 2.473 -21.165 -5.850 1.00 0.00 H new ATOM 0 HG3 MET A 5 2.771 -22.211 -4.476 1.00 0.00 H new ATOM 0 HE1 MET A 5 -0.497 -19.224 -5.209 1.00 0.00 H new ATOM 0 HE2 MET A 5 1.024 -19.451 -6.105 1.00 0.00 H new ATOM 0 HE3 MET A 5 -0.174 -20.765 -6.038 1.00 0.00 H new ATOM 74 N GLY A 6 2.259 -18.072 -1.959 1.00 0.00 N ATOM 75 CA GLY A 6 2.188 -17.822 -0.485 1.00 0.00 C ATOM 76 C GLY A 6 2.125 -16.313 -0.205 1.00 0.00 C ATOM 77 O GLY A 6 1.628 -15.896 0.821 1.00 0.00 O ATOM 0 H GLY A 6 1.458 -17.735 -2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.309 -18.314 -0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.059 -18.254 0.007 1.00 0.00 H new ATOM 81 N VAL A 7 2.619 -15.491 -1.104 1.00 0.00 N ATOM 82 CA VAL A 7 2.581 -14.008 -0.882 1.00 0.00 C ATOM 83 C VAL A 7 1.546 -13.368 -1.825 1.00 0.00 C ATOM 84 O VAL A 7 1.363 -13.809 -2.942 1.00 0.00 O ATOM 85 CB VAL A 7 4.002 -13.532 -1.213 1.00 0.00 C ATOM 86 CG1 VAL A 7 4.120 -12.031 -0.958 1.00 0.00 C ATOM 87 CG2 VAL A 7 5.013 -14.270 -0.327 1.00 0.00 C ATOM 0 H VAL A 7 3.047 -15.784 -1.982 1.00 0.00 H new ATOM 0 HA VAL A 7 2.291 -13.735 0.133 1.00 0.00 H new ATOM 0 HB VAL A 7 4.209 -13.741 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.131 -11.700 -1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.407 -11.498 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.906 -11.822 0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.021 -13.930 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.797 -14.063 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.940 -15.343 -0.507 1.00 0.00 H new ATOM 97 N ASN A 8 0.866 -12.334 -1.387 1.00 0.00 N ATOM 98 CA ASN A 8 -0.160 -11.675 -2.266 1.00 0.00 C ATOM 99 C ASN A 8 0.352 -10.324 -2.791 1.00 0.00 C ATOM 100 O ASN A 8 1.391 -9.839 -2.380 1.00 0.00 O ATOM 101 CB ASN A 8 -1.375 -11.467 -1.361 1.00 0.00 C ATOM 102 CG ASN A 8 -2.615 -12.077 -2.018 1.00 0.00 C ATOM 103 OD1 ASN A 8 -2.681 -13.267 -2.234 1.00 0.00 O ATOM 104 ND2 ASN A 8 -3.607 -11.306 -2.344 1.00 0.00 N ATOM 0 H ASN A 8 0.975 -11.917 -0.462 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.392 -12.280 -3.142 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.201 -11.930 -0.390 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.531 -10.403 -1.184 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.439 -11.703 -2.781 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.554 -10.303 -2.163 1.00 0.00 H new ATOM 111 N SER A 9 -0.380 -9.709 -3.693 1.00 0.00 N ATOM 112 CA SER A 9 0.044 -8.381 -4.252 1.00 0.00 C ATOM 113 C SER A 9 -1.120 -7.384 -4.194 1.00 0.00 C ATOM 114 O SER A 9 -2.232 -7.689 -4.578 1.00 0.00 O ATOM 115 CB SER A 9 0.445 -8.678 -5.699 1.00 0.00 C ATOM 116 OG SER A 9 0.470 -7.469 -6.451 1.00 0.00 O ATOM 0 H SER A 9 -1.257 -10.071 -4.068 1.00 0.00 H new ATOM 0 HA SER A 9 0.862 -7.931 -3.690 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.426 -9.153 -5.724 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.260 -9.380 -6.145 1.00 0.00 H new ATOM 0 HG SER A 9 0.729 -7.664 -7.376 1.00 0.00 H new ATOM 122 N VAL A 10 -0.872 -6.200 -3.684 1.00 0.00 N ATOM 123 CA VAL A 10 -1.964 -5.184 -3.560 1.00 0.00 C ATOM 124 C VAL A 10 -1.576 -3.860 -4.241 1.00 0.00 C ATOM 125 O VAL A 10 -0.497 -3.328 -4.034 1.00 0.00 O ATOM 126 CB VAL A 10 -2.155 -5.007 -2.035 1.00 0.00 C ATOM 127 CG1 VAL A 10 -1.845 -3.570 -1.593 1.00 0.00 C ATOM 128 CG2 VAL A 10 -3.604 -5.331 -1.664 1.00 0.00 C ATOM 0 H VAL A 10 0.041 -5.894 -3.348 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.883 -5.501 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.466 -5.684 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.989 -3.481 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.812 -3.328 -1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.513 -2.879 -2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.741 -5.207 -0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.275 -4.657 -2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.829 -6.361 -1.942 1.00 0.00 H new ATOM 138 N THR A 11 -2.467 -3.317 -5.034 1.00 0.00 N ATOM 139 CA THR A 11 -2.186 -2.018 -5.714 1.00 0.00 C ATOM 140 C THR A 11 -3.046 -0.922 -5.078 1.00 0.00 C ATOM 141 O THR A 11 -4.263 -0.987 -5.087 1.00 0.00 O ATOM 142 CB THR A 11 -2.556 -2.231 -7.187 1.00 0.00 C ATOM 143 OG1 THR A 11 -1.566 -3.045 -7.809 1.00 0.00 O ATOM 144 CG2 THR A 11 -2.609 -0.881 -7.899 1.00 0.00 C ATOM 0 H THR A 11 -3.381 -3.721 -5.239 1.00 0.00 H new ATOM 0 HA THR A 11 -1.145 -1.710 -5.620 1.00 0.00 H new ATOM 0 HB THR A 11 -3.529 -2.718 -7.249 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.801 -3.184 -8.750 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.872 -1.032 -8.946 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.359 -0.248 -7.424 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.634 -0.398 -7.836 1.00 0.00 H new ATOM 152 N ILE A 12 -2.424 0.079 -4.514 1.00 0.00 N ATOM 153 CA ILE A 12 -3.202 1.174 -3.864 1.00 0.00 C ATOM 154 C ILE A 12 -3.077 2.478 -4.657 1.00 0.00 C ATOM 155 O ILE A 12 -1.991 3.004 -4.847 1.00 0.00 O ATOM 156 CB ILE A 12 -2.601 1.371 -2.467 1.00 0.00 C ATOM 157 CG1 ILE A 12 -2.286 0.024 -1.803 1.00 0.00 C ATOM 158 CG2 ILE A 12 -3.613 2.124 -1.603 1.00 0.00 C ATOM 159 CD1 ILE A 12 -1.468 0.269 -0.533 1.00 0.00 C ATOM 0 H ILE A 12 -1.410 0.186 -4.475 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.259 0.912 -3.819 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.672 1.933 -2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.210 -0.500 -1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.730 -0.613 -2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.200 2.272 -0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.828 3.093 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.534 1.545 -1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.241 -0.685 -0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.538 0.776 -0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.041 0.891 0.155 1.00 0.00 H new ATOM 171 N SER A 13 -4.187 3.024 -5.087 1.00 0.00 N ATOM 172 CA SER A 13 -4.151 4.322 -5.831 1.00 0.00 C ATOM 173 C SER A 13 -4.000 5.454 -4.811 1.00 0.00 C ATOM 174 O SER A 13 -4.640 5.441 -3.777 1.00 0.00 O ATOM 175 CB SER A 13 -5.497 4.432 -6.568 1.00 0.00 C ATOM 176 OG SER A 13 -6.011 3.129 -6.849 1.00 0.00 O ATOM 0 H SER A 13 -5.117 2.627 -4.955 1.00 0.00 H new ATOM 0 HA SER A 13 -3.324 4.380 -6.538 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.209 4.989 -5.959 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.368 4.988 -7.496 1.00 0.00 H new ATOM 0 HG SER A 13 -6.607 2.849 -6.124 1.00 0.00 H new ATOM 182 N VAL A 14 -3.152 6.413 -5.069 1.00 0.00 N ATOM 183 CA VAL A 14 -2.958 7.515 -4.083 1.00 0.00 C ATOM 184 C VAL A 14 -3.033 8.882 -4.767 1.00 0.00 C ATOM 185 O VAL A 14 -2.366 9.124 -5.755 1.00 0.00 O ATOM 186 CB VAL A 14 -1.554 7.317 -3.475 1.00 0.00 C ATOM 187 CG1 VAL A 14 -1.604 7.622 -1.977 1.00 0.00 C ATOM 188 CG2 VAL A 14 -1.054 5.878 -3.676 1.00 0.00 C ATOM 0 H VAL A 14 -2.588 6.481 -5.916 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.738 7.487 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.867 7.995 -3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.613 7.483 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.925 8.653 -1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.310 6.948 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.062 5.773 -3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.741 5.183 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.003 5.656 -4.742 1.00 0.00 H new ATOM 198 N GLU A 15 -3.817 9.783 -4.238 1.00 0.00 N ATOM 199 CA GLU A 15 -3.910 11.137 -4.843 1.00 0.00 C ATOM 200 C GLU A 15 -3.468 12.199 -3.831 1.00 0.00 C ATOM 201 O GLU A 15 -3.439 11.962 -2.636 1.00 0.00 O ATOM 202 CB GLU A 15 -5.384 11.316 -5.234 1.00 0.00 C ATOM 203 CG GLU A 15 -5.554 12.608 -6.050 1.00 0.00 C ATOM 204 CD GLU A 15 -4.532 12.651 -7.192 1.00 0.00 C ATOM 205 OE1 GLU A 15 -3.433 13.134 -6.957 1.00 0.00 O ATOM 206 OE2 GLU A 15 -4.861 12.204 -8.277 1.00 0.00 O ATOM 0 H GLU A 15 -4.397 9.637 -3.412 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.260 11.245 -5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.721 10.460 -5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.005 11.356 -4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.565 12.661 -6.455 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.424 13.475 -5.403 1.00 0.00 H new ATOM 213 N GLY A 16 -3.100 13.364 -4.301 1.00 0.00 N ATOM 214 CA GLY A 16 -2.638 14.442 -3.370 1.00 0.00 C ATOM 215 C GLY A 16 -1.104 14.477 -3.325 1.00 0.00 C ATOM 216 O GLY A 16 -0.509 15.520 -3.131 1.00 0.00 O ATOM 0 H GLY A 16 -3.099 13.617 -5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.022 15.407 -3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.035 14.265 -2.370 1.00 0.00 H new ATOM 220 N MET A 17 -0.455 13.344 -3.499 1.00 0.00 N ATOM 221 CA MET A 17 1.044 13.325 -3.466 1.00 0.00 C ATOM 222 C MET A 17 1.614 14.188 -4.605 1.00 0.00 C ATOM 223 O MET A 17 1.304 13.988 -5.764 1.00 0.00 O ATOM 224 CB MET A 17 1.451 11.849 -3.617 1.00 0.00 C ATOM 225 CG MET A 17 0.821 11.228 -4.873 1.00 0.00 C ATOM 226 SD MET A 17 1.525 9.580 -5.142 1.00 0.00 S ATOM 227 CE MET A 17 1.437 8.998 -3.429 1.00 0.00 C ATOM 0 H MET A 17 -0.897 12.439 -3.661 1.00 0.00 H new ATOM 0 HA MET A 17 1.437 13.741 -2.538 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.537 11.772 -3.675 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.138 11.290 -2.735 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.261 11.160 -4.756 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.008 11.862 -5.740 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.536 7.913 -3.408 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.244 9.447 -2.850 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.478 9.284 -2.997 1.00 0.00 H new ATOM 237 N THR A 18 2.419 15.172 -4.275 1.00 0.00 N ATOM 238 CA THR A 18 2.975 16.079 -5.338 1.00 0.00 C ATOM 239 C THR A 18 4.511 16.174 -5.316 1.00 0.00 C ATOM 240 O THR A 18 5.080 16.962 -6.047 1.00 0.00 O ATOM 241 CB THR A 18 2.396 17.455 -5.012 1.00 0.00 C ATOM 242 OG1 THR A 18 2.742 17.799 -3.675 1.00 0.00 O ATOM 243 CG2 THR A 18 0.875 17.431 -5.166 1.00 0.00 C ATOM 0 H THR A 18 2.715 15.387 -3.323 1.00 0.00 H new ATOM 0 HA THR A 18 2.712 15.700 -6.325 1.00 0.00 H new ATOM 0 HB THR A 18 2.805 18.196 -5.699 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.375 18.682 -3.459 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.470 18.416 -4.932 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.617 17.167 -6.192 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.452 16.693 -4.484 1.00 0.00 H new ATOM 251 N CYS A 19 5.204 15.410 -4.503 1.00 0.00 N ATOM 252 CA CYS A 19 6.698 15.524 -4.494 1.00 0.00 C ATOM 253 C CYS A 19 7.320 14.336 -3.769 1.00 0.00 C ATOM 254 O CYS A 19 6.750 13.831 -2.810 1.00 0.00 O ATOM 255 CB CYS A 19 7.005 16.845 -3.768 1.00 0.00 C ATOM 256 SG CYS A 19 7.136 16.572 -1.980 1.00 0.00 S ATOM 0 H CYS A 19 4.809 14.726 -3.858 1.00 0.00 H new ATOM 0 HA CYS A 19 7.115 15.520 -5.501 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.936 17.267 -4.147 1.00 0.00 H new ATOM 0 HB3 CYS A 19 6.219 17.571 -3.974 1.00 0.00 H new ATOM 261 N ASN A 20 8.475 13.900 -4.235 1.00 0.00 N ATOM 262 CA ASN A 20 9.213 12.723 -3.637 1.00 0.00 C ATOM 263 C ASN A 20 8.875 12.500 -2.159 1.00 0.00 C ATOM 264 O ASN A 20 8.698 11.378 -1.728 1.00 0.00 O ATOM 265 CB ASN A 20 10.691 13.067 -3.808 1.00 0.00 C ATOM 266 CG ASN A 20 11.033 13.074 -5.295 1.00 0.00 C ATOM 267 OD1 ASN A 20 11.115 14.117 -5.903 1.00 0.00 O ATOM 268 ND2 ASN A 20 11.219 11.948 -5.917 1.00 0.00 N ATOM 0 H ASN A 20 8.953 14.324 -5.030 1.00 0.00 H new ATOM 0 HA ASN A 20 8.932 11.794 -4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.904 14.042 -3.369 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.310 12.339 -3.283 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.433 11.946 -6.914 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.151 11.067 -5.408 1.00 0.00 H new ATOM 275 N SER A 21 8.759 13.548 -1.383 1.00 0.00 N ATOM 276 CA SER A 21 8.399 13.372 0.061 1.00 0.00 C ATOM 277 C SER A 21 7.135 12.483 0.207 1.00 0.00 C ATOM 278 O SER A 21 6.876 11.889 1.231 1.00 0.00 O ATOM 279 CB SER A 21 8.126 14.788 0.585 1.00 0.00 C ATOM 280 OG SER A 21 6.735 15.100 0.451 1.00 0.00 O ATOM 0 H SER A 21 8.897 14.513 -1.683 1.00 0.00 H new ATOM 0 HA SER A 21 9.194 12.878 0.619 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.425 14.862 1.631 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.724 15.511 0.031 1.00 0.00 H new ATOM 286 N CYS A 22 6.357 12.347 -0.819 1.00 0.00 N ATOM 287 CA CYS A 22 5.151 11.482 -0.711 1.00 0.00 C ATOM 288 C CYS A 22 5.513 10.055 -1.141 1.00 0.00 C ATOM 289 O CYS A 22 4.868 9.098 -0.767 1.00 0.00 O ATOM 290 CB CYS A 22 4.126 12.129 -1.643 1.00 0.00 C ATOM 291 SG CYS A 22 3.953 13.887 -1.218 1.00 0.00 S ATOM 0 H CYS A 22 6.498 12.793 -1.726 1.00 0.00 H new ATOM 0 HA CYS A 22 4.755 11.404 0.302 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.443 12.023 -2.680 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.164 11.624 -1.551 1.00 0.00 H new ATOM 296 N VAL A 23 6.578 9.910 -1.891 1.00 0.00 N ATOM 297 CA VAL A 23 7.021 8.559 -2.327 1.00 0.00 C ATOM 298 C VAL A 23 7.980 8.001 -1.295 1.00 0.00 C ATOM 299 O VAL A 23 7.967 6.823 -1.012 1.00 0.00 O ATOM 300 CB VAL A 23 7.709 8.744 -3.696 1.00 0.00 C ATOM 301 CG1 VAL A 23 9.221 8.955 -3.532 1.00 0.00 C ATOM 302 CG2 VAL A 23 7.482 7.491 -4.540 1.00 0.00 C ATOM 0 H VAL A 23 7.161 10.680 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 23 6.192 7.858 -2.420 1.00 0.00 H new ATOM 0 HB VAL A 23 7.282 9.623 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.679 9.082 -4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.401 9.845 -2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.658 8.087 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.965 7.613 -5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.906 6.627 -4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.412 7.338 -4.684 1.00 0.00 H new ATOM 312 N TRP A 24 8.794 8.835 -0.694 1.00 0.00 N ATOM 313 CA TRP A 24 9.716 8.284 0.345 1.00 0.00 C ATOM 314 C TRP A 24 8.931 8.089 1.643 1.00 0.00 C ATOM 315 O TRP A 24 9.281 7.271 2.462 1.00 0.00 O ATOM 316 CB TRP A 24 10.911 9.259 0.458 1.00 0.00 C ATOM 317 CG TRP A 24 11.116 9.730 1.868 1.00 0.00 C ATOM 318 CD1 TRP A 24 12.078 9.320 2.728 1.00 0.00 C ATOM 319 CD2 TRP A 24 10.346 10.722 2.564 1.00 0.00 C ATOM 320 NE1 TRP A 24 11.927 10.018 3.924 1.00 0.00 N ATOM 321 CE2 TRP A 24 10.861 10.901 3.861 1.00 0.00 C ATOM 322 CE3 TRP A 24 9.255 11.468 2.174 1.00 0.00 C ATOM 323 CZ2 TRP A 24 10.284 11.818 4.746 1.00 0.00 C ATOM 324 CZ3 TRP A 24 8.663 12.386 3.034 1.00 0.00 C ATOM 325 CH2 TRP A 24 9.174 12.569 4.329 1.00 0.00 C ATOM 0 H TRP A 24 8.860 9.838 -0.869 1.00 0.00 H new ATOM 0 HA TRP A 24 10.118 7.303 0.090 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.817 8.766 0.104 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.741 10.118 -0.191 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.835 8.577 2.522 1.00 0.00 H new ATOM 0 HE1 TRP A 24 12.525 9.895 4.741 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.852 11.337 1.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.688 11.947 5.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.809 12.959 2.706 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.717 13.282 4.999 1.00 0.00 H new ATOM 336 N THR A 25 7.837 8.790 1.820 1.00 0.00 N ATOM 337 CA THR A 25 7.022 8.572 3.064 1.00 0.00 C ATOM 338 C THR A 25 6.028 7.405 2.859 1.00 0.00 C ATOM 339 O THR A 25 5.669 6.719 3.796 1.00 0.00 O ATOM 340 CB THR A 25 6.292 9.896 3.338 1.00 0.00 C ATOM 341 OG1 THR A 25 6.016 9.995 4.729 1.00 0.00 O ATOM 342 CG2 THR A 25 4.981 9.960 2.551 1.00 0.00 C ATOM 0 H THR A 25 7.476 9.491 1.173 1.00 0.00 H new ATOM 0 HA THR A 25 7.647 8.298 3.914 1.00 0.00 H new ATOM 0 HB THR A 25 6.927 10.724 3.023 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.551 10.838 4.911 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.478 10.905 2.758 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.193 9.888 1.484 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.337 9.133 2.850 1.00 0.00 H new ATOM 350 N ILE A 26 5.606 7.150 1.636 1.00 0.00 N ATOM 351 CA ILE A 26 4.654 6.011 1.379 1.00 0.00 C ATOM 352 C ILE A 26 5.449 4.737 1.072 1.00 0.00 C ATOM 353 O ILE A 26 4.995 3.631 1.311 1.00 0.00 O ATOM 354 CB ILE A 26 3.806 6.442 0.172 1.00 0.00 C ATOM 355 CG1 ILE A 26 2.846 7.562 0.591 1.00 0.00 C ATOM 356 CG2 ILE A 26 2.986 5.256 -0.343 1.00 0.00 C ATOM 357 CD1 ILE A 26 1.963 7.086 1.746 1.00 0.00 C ATOM 0 H ILE A 26 5.878 7.679 0.808 1.00 0.00 H new ATOM 0 HA ILE A 26 4.022 5.794 2.240 1.00 0.00 H new ATOM 0 HB ILE A 26 4.471 6.796 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.412 8.443 0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.225 7.856 -0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.388 5.571 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.658 4.453 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.327 4.898 0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.284 7.887 2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.385 6.218 1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.590 6.814 2.595 1.00 0.00 H new ATOM 369 N GLU A 27 6.650 4.894 0.589 1.00 0.00 N ATOM 370 CA GLU A 27 7.515 3.716 0.312 1.00 0.00 C ATOM 371 C GLU A 27 8.140 3.302 1.633 1.00 0.00 C ATOM 372 O GLU A 27 8.311 2.131 1.917 1.00 0.00 O ATOM 373 CB GLU A 27 8.572 4.213 -0.680 1.00 0.00 C ATOM 374 CG GLU A 27 9.676 3.162 -0.865 1.00 0.00 C ATOM 375 CD GLU A 27 11.041 3.811 -0.612 1.00 0.00 C ATOM 376 OE1 GLU A 27 11.332 4.102 0.539 1.00 0.00 O ATOM 377 OE2 GLU A 27 11.769 4.008 -1.572 1.00 0.00 O ATOM 0 H GLU A 27 7.072 5.797 0.373 1.00 0.00 H new ATOM 0 HA GLU A 27 6.986 2.858 -0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.104 4.430 -1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.007 5.145 -0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.522 2.331 -0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.637 2.751 -1.874 1.00 0.00 H new ATOM 384 N GLN A 28 8.422 4.275 2.465 1.00 0.00 N ATOM 385 CA GLN A 28 8.983 3.966 3.807 1.00 0.00 C ATOM 386 C GLN A 28 7.869 3.377 4.675 1.00 0.00 C ATOM 387 O GLN A 28 8.103 2.517 5.508 1.00 0.00 O ATOM 388 CB GLN A 28 9.447 5.316 4.357 1.00 0.00 C ATOM 389 CG GLN A 28 10.352 5.107 5.573 1.00 0.00 C ATOM 390 CD GLN A 28 11.796 4.813 5.135 1.00 0.00 C ATOM 391 OE1 GLN A 28 12.666 4.659 5.975 1.00 0.00 O ATOM 392 NE2 GLN A 28 12.105 4.707 3.869 1.00 0.00 N ATOM 0 H GLN A 28 8.286 5.267 2.269 1.00 0.00 H new ATOM 0 HA GLN A 28 9.801 3.246 3.782 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.984 5.867 3.585 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.583 5.920 4.636 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.332 5.996 6.204 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.974 4.281 6.175 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.386 4.834 3.156 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.065 4.498 3.594 1.00 0.00 H new ATOM 401 N GLN A 29 6.649 3.823 4.464 1.00 0.00 N ATOM 402 CA GLN A 29 5.510 3.291 5.267 1.00 0.00 C ATOM 403 C GLN A 29 5.199 1.843 4.866 1.00 0.00 C ATOM 404 O GLN A 29 5.380 0.922 5.642 1.00 0.00 O ATOM 405 CB GLN A 29 4.327 4.213 4.942 1.00 0.00 C ATOM 406 CG GLN A 29 3.043 3.651 5.571 1.00 0.00 C ATOM 407 CD GLN A 29 2.875 4.191 6.995 1.00 0.00 C ATOM 408 OE1 GLN A 29 3.836 4.348 7.720 1.00 0.00 O ATOM 409 NE2 GLN A 29 1.684 4.477 7.429 1.00 0.00 N ATOM 0 H GLN A 29 6.399 4.530 3.772 1.00 0.00 H new ATOM 0 HA GLN A 29 5.732 3.277 6.334 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.520 5.216 5.322 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.207 4.299 3.862 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.180 3.927 4.965 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.084 2.562 5.589 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.875 4.346 6.822 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.558 4.832 8.377 1.00 0.00 H new ATOM 418 N ILE A 30 4.733 1.634 3.662 1.00 0.00 N ATOM 419 CA ILE A 30 4.401 0.239 3.227 1.00 0.00 C ATOM 420 C ILE A 30 5.668 -0.623 3.188 1.00 0.00 C ATOM 421 O ILE A 30 5.675 -1.735 3.681 1.00 0.00 O ATOM 422 CB ILE A 30 3.773 0.372 1.833 1.00 0.00 C ATOM 423 CG1 ILE A 30 2.449 1.141 1.941 1.00 0.00 C ATOM 424 CG2 ILE A 30 3.499 -1.025 1.266 1.00 0.00 C ATOM 425 CD1 ILE A 30 1.870 1.377 0.543 1.00 0.00 C ATOM 0 H ILE A 30 4.568 2.360 2.965 1.00 0.00 H new ATOM 0 HA ILE A 30 3.715 -0.250 3.918 1.00 0.00 H new ATOM 0 HB ILE A 30 4.456 0.909 1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.740 0.578 2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.612 2.095 2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.053 -0.935 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.435 -1.578 1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.814 -1.557 1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.930 1.923 0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.576 1.958 -0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.691 0.418 0.057 1.00 0.00 H new ATOM 437 N GLY A 31 6.737 -0.112 2.623 1.00 0.00 N ATOM 438 CA GLY A 31 8.013 -0.892 2.564 1.00 0.00 C ATOM 439 C GLY A 31 8.369 -1.432 3.952 1.00 0.00 C ATOM 440 O GLY A 31 8.923 -2.507 4.077 1.00 0.00 O ATOM 0 H GLY A 31 6.780 0.815 2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.910 -1.718 1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.819 -0.257 2.195 1.00 0.00 H new ATOM 444 N LYS A 32 8.067 -0.699 5.002 1.00 0.00 N ATOM 445 CA LYS A 32 8.408 -1.197 6.371 1.00 0.00 C ATOM 446 C LYS A 32 7.179 -1.196 7.306 1.00 0.00 C ATOM 447 O LYS A 32 7.314 -1.037 8.506 1.00 0.00 O ATOM 448 CB LYS A 32 9.481 -0.227 6.873 1.00 0.00 C ATOM 449 CG LYS A 32 10.786 -0.463 6.106 1.00 0.00 C ATOM 450 CD LYS A 32 11.918 0.326 6.772 1.00 0.00 C ATOM 451 CE LYS A 32 11.765 1.813 6.444 1.00 0.00 C ATOM 452 NZ LYS A 32 12.991 2.463 6.996 1.00 0.00 N ATOM 0 H LYS A 32 7.605 0.210 4.969 1.00 0.00 H new ATOM 0 HA LYS A 32 8.753 -2.231 6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.148 0.802 6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.644 -0.370 7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.027 -1.526 6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.672 -0.151 5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.894 0.176 7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.884 -0.037 6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.684 1.973 5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.863 2.225 6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.015 3.462 6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.978 2.404 8.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.835 1.977 6.632 1.00 0.00 H new ATOM 466 N VAL A 33 5.986 -1.373 6.784 1.00 0.00 N ATOM 467 CA VAL A 33 4.774 -1.375 7.673 1.00 0.00 C ATOM 468 C VAL A 33 4.660 -2.693 8.475 1.00 0.00 C ATOM 469 O VAL A 33 4.486 -2.666 9.682 1.00 0.00 O ATOM 470 CB VAL A 33 3.570 -1.163 6.734 1.00 0.00 C ATOM 471 CG1 VAL A 33 3.422 -2.329 5.752 1.00 0.00 C ATOM 472 CG2 VAL A 33 2.291 -1.043 7.563 1.00 0.00 C ATOM 0 H VAL A 33 5.799 -1.515 5.791 1.00 0.00 H new ATOM 0 HA VAL A 33 4.827 -0.588 8.426 1.00 0.00 H new ATOM 0 HB VAL A 33 3.740 -0.249 6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.565 -2.151 5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.325 -2.412 5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.271 -3.255 6.307 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.440 -0.893 6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.145 -1.956 8.140 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.376 -0.194 8.242 1.00 0.00 H new ATOM 482 N ASN A 34 4.760 -3.840 7.831 1.00 0.00 N ATOM 483 CA ASN A 34 4.658 -5.137 8.587 1.00 0.00 C ATOM 484 C ASN A 34 4.838 -6.351 7.659 1.00 0.00 C ATOM 485 O ASN A 34 5.733 -7.152 7.852 1.00 0.00 O ATOM 486 CB ASN A 34 3.251 -5.147 9.201 1.00 0.00 C ATOM 487 CG ASN A 34 3.352 -5.477 10.689 1.00 0.00 C ATOM 488 OD1 ASN A 34 3.061 -6.579 11.102 1.00 0.00 O ATOM 489 ND2 ASN A 34 3.761 -4.562 11.517 1.00 0.00 N ATOM 0 H ASN A 34 4.906 -3.933 6.826 1.00 0.00 H new ATOM 0 HA ASN A 34 5.441 -5.208 9.342 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.775 -4.176 9.064 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.626 -5.883 8.695 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.837 -4.772 12.512 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.006 -3.634 11.171 1.00 0.00 H new ATOM 496 N GLY A 35 3.988 -6.507 6.671 1.00 0.00 N ATOM 497 CA GLY A 35 4.105 -7.684 5.757 1.00 0.00 C ATOM 498 C GLY A 35 4.251 -7.228 4.309 1.00 0.00 C ATOM 499 O GLY A 35 3.387 -7.451 3.491 1.00 0.00 O ATOM 0 H GLY A 35 3.220 -5.870 6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.966 -8.288 6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.224 -8.318 5.857 1.00 0.00 H new ATOM 503 N VAL A 36 5.355 -6.611 3.984 1.00 0.00 N ATOM 504 CA VAL A 36 5.593 -6.162 2.586 1.00 0.00 C ATOM 505 C VAL A 36 7.027 -6.499 2.206 1.00 0.00 C ATOM 506 O VAL A 36 7.944 -5.739 2.438 1.00 0.00 O ATOM 507 CB VAL A 36 5.371 -4.650 2.564 1.00 0.00 C ATOM 508 CG1 VAL A 36 5.873 -4.079 1.226 1.00 0.00 C ATOM 509 CG2 VAL A 36 3.881 -4.362 2.708 1.00 0.00 C ATOM 0 H VAL A 36 6.109 -6.398 4.637 1.00 0.00 H new ATOM 0 HA VAL A 36 4.924 -6.651 1.877 1.00 0.00 H new ATOM 0 HB VAL A 36 5.917 -4.186 3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.715 -3.001 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.936 -4.292 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.323 -4.539 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.716 -3.285 2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.340 -4.824 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.521 -4.771 3.652 1.00 0.00 H new ATOM 519 N HIS A 37 7.214 -7.640 1.628 1.00 0.00 N ATOM 520 CA HIS A 37 8.606 -8.062 1.214 1.00 0.00 C ATOM 521 C HIS A 37 9.263 -6.941 0.375 1.00 0.00 C ATOM 522 O HIS A 37 10.467 -6.762 0.382 1.00 0.00 O ATOM 523 CB HIS A 37 8.434 -9.342 0.374 1.00 0.00 C ATOM 524 CG HIS A 37 7.744 -10.413 1.181 1.00 0.00 C ATOM 525 ND1 HIS A 37 6.429 -10.589 1.550 1.00 0.00 N flip ATOM 526 CD2 HIS A 37 8.429 -11.495 1.707 1.00 0.00 C flip ATOM 527 CE1 HIS A 37 6.303 -11.759 2.291 1.00 0.00 C flip ATOM 528 NE2 HIS A 37 7.537 -12.267 2.356 1.00 0.00 N flip ATOM 0 H HIS A 37 6.476 -8.312 1.416 1.00 0.00 H new ATOM 0 HA HIS A 37 9.249 -8.245 2.075 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.853 -9.121 -0.521 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.408 -9.700 0.041 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.488 -11.685 1.614 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.401 -12.169 2.721 1.00 0.00 H new ATOM 0 HE2 HIS A 37 7.774 -13.134 2.838 1.00 0.00 H new ATOM 536 N HIS A 38 8.450 -6.182 -0.322 1.00 0.00 N ATOM 537 CA HIS A 38 8.923 -5.041 -1.157 1.00 0.00 C ATOM 538 C HIS A 38 7.685 -4.259 -1.645 1.00 0.00 C ATOM 539 O HIS A 38 6.624 -4.830 -1.882 1.00 0.00 O ATOM 540 CB HIS A 38 9.744 -5.624 -2.332 1.00 0.00 C ATOM 541 CG HIS A 38 9.164 -6.925 -2.797 1.00 0.00 C ATOM 542 ND1 HIS A 38 7.877 -7.343 -2.906 1.00 0.00 N flip ATOM 543 CD2 HIS A 38 9.947 -7.986 -3.214 1.00 0.00 C flip ATOM 544 CE1 HIS A 38 7.837 -8.649 -3.386 1.00 0.00 C flip ATOM 545 NE2 HIS A 38 9.117 -8.990 -3.554 1.00 0.00 N flip ATOM 0 H HIS A 38 7.439 -6.316 -0.343 1.00 0.00 H new ATOM 0 HA HIS A 38 9.560 -4.354 -0.600 1.00 0.00 H new ATOM 0 HB2 HIS A 38 9.760 -4.913 -3.158 1.00 0.00 H new ATOM 0 HB3 HIS A 38 10.778 -5.773 -2.020 1.00 0.00 H new ATOM 0 HD2 HIS A 38 11.026 -8.006 -3.259 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.963 -9.253 -3.580 1.00 0.00 H new ATOM 0 HE2 HIS A 38 9.428 -9.899 -3.897 1.00 0.00 H new ATOM 553 N ILE A 39 7.796 -2.963 -1.764 1.00 0.00 N ATOM 554 CA ILE A 39 6.628 -2.135 -2.204 1.00 0.00 C ATOM 555 C ILE A 39 6.983 -1.363 -3.494 1.00 0.00 C ATOM 556 O ILE A 39 8.106 -0.931 -3.671 1.00 0.00 O ATOM 557 CB ILE A 39 6.359 -1.165 -1.027 1.00 0.00 C ATOM 558 CG1 ILE A 39 5.568 0.061 -1.519 1.00 0.00 C ATOM 559 CG2 ILE A 39 7.677 -0.701 -0.395 1.00 0.00 C ATOM 560 CD1 ILE A 39 6.525 1.159 -1.977 1.00 0.00 C ATOM 0 H ILE A 39 8.649 -2.437 -1.575 1.00 0.00 H new ATOM 0 HA ILE A 39 5.749 -2.738 -2.434 1.00 0.00 H new ATOM 0 HB ILE A 39 5.775 -1.697 -0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.913 -0.226 -2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.930 0.436 -0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.465 -0.020 0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.225 -1.566 -0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.279 -0.187 -1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.953 2.020 -2.322 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.162 1.457 -1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.145 0.785 -2.792 1.00 0.00 H new ATOM 572 N LYS A 40 6.043 -1.172 -4.395 1.00 0.00 N ATOM 573 CA LYS A 40 6.349 -0.414 -5.648 1.00 0.00 C ATOM 574 C LYS A 40 5.407 0.794 -5.760 1.00 0.00 C ATOM 575 O LYS A 40 4.260 0.680 -6.162 1.00 0.00 O ATOM 576 CB LYS A 40 6.149 -1.425 -6.797 1.00 0.00 C ATOM 577 CG LYS A 40 5.782 -0.716 -8.119 1.00 0.00 C ATOM 578 CD LYS A 40 6.770 0.425 -8.430 1.00 0.00 C ATOM 579 CE LYS A 40 6.023 1.545 -9.167 1.00 0.00 C ATOM 580 NZ LYS A 40 6.935 2.728 -9.146 1.00 0.00 N ATOM 0 H LYS A 40 5.083 -1.508 -4.314 1.00 0.00 H new ATOM 0 HA LYS A 40 7.362 -0.013 -5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.061 -2.005 -6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.361 -2.129 -6.530 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.787 -1.438 -8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.770 -0.317 -8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.206 0.807 -7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.592 0.055 -9.042 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.789 1.251 -10.190 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.077 1.772 -8.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.460 3.540 -9.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.176 2.963 -8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.804 2.506 -9.672 1.00 0.00 H new ATOM 594 N VAL A 41 5.896 1.951 -5.407 1.00 0.00 N ATOM 595 CA VAL A 41 5.063 3.180 -5.486 1.00 0.00 C ATOM 596 C VAL A 41 5.561 4.064 -6.626 1.00 0.00 C ATOM 597 O VAL A 41 6.716 3.996 -7.022 1.00 0.00 O ATOM 598 CB VAL A 41 5.219 3.882 -4.127 1.00 0.00 C ATOM 599 CG1 VAL A 41 6.683 4.268 -3.894 1.00 0.00 C ATOM 600 CG2 VAL A 41 4.363 5.152 -4.110 1.00 0.00 C ATOM 0 H VAL A 41 6.846 2.097 -5.064 1.00 0.00 H new ATOM 0 HA VAL A 41 4.015 2.958 -5.688 1.00 0.00 H new ATOM 0 HB VAL A 41 4.897 3.200 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.779 4.764 -2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.302 3.371 -3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.011 4.944 -4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.472 5.651 -3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.690 5.822 -4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.317 4.888 -4.265 1.00 0.00 H new ATOM 610 N SER A 42 4.699 4.883 -7.163 1.00 0.00 N ATOM 611 CA SER A 42 5.092 5.776 -8.277 1.00 0.00 C ATOM 612 C SER A 42 4.449 7.148 -8.088 1.00 0.00 C ATOM 613 O SER A 42 3.446 7.466 -8.697 1.00 0.00 O ATOM 614 CB SER A 42 4.576 5.097 -9.544 1.00 0.00 C ATOM 615 OG SER A 42 5.650 4.398 -10.174 1.00 0.00 O ATOM 0 H SER A 42 3.726 4.969 -6.869 1.00 0.00 H new ATOM 0 HA SER A 42 6.170 5.933 -8.326 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.771 4.405 -9.298 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.161 5.840 -10.225 1.00 0.00 H new ATOM 0 HG SER A 42 5.421 4.222 -11.110 1.00 0.00 H new ATOM 621 N LEU A 43 5.018 7.959 -7.233 1.00 0.00 N ATOM 622 CA LEU A 43 4.454 9.328 -6.981 1.00 0.00 C ATOM 623 C LEU A 43 4.094 10.029 -8.305 1.00 0.00 C ATOM 624 O LEU A 43 3.147 10.801 -8.378 1.00 0.00 O ATOM 625 CB LEU A 43 5.569 10.092 -6.257 1.00 0.00 C ATOM 626 CG LEU A 43 4.992 10.818 -5.038 1.00 0.00 C ATOM 627 CD1 LEU A 43 4.562 9.799 -3.982 1.00 0.00 C ATOM 628 CD2 LEU A 43 6.058 11.735 -4.439 1.00 0.00 C ATOM 0 H LEU A 43 5.854 7.734 -6.694 1.00 0.00 H new ATOM 0 HA LEU A 43 3.536 9.284 -6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.352 9.401 -5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.030 10.810 -6.935 1.00 0.00 H new ATOM 0 HG LEU A 43 4.129 11.406 -5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.153 10.322 -3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.802 9.140 -4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.425 9.208 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.648 12.252 -3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.919 11.141 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.368 12.467 -5.184 1.00 0.00 H new ATOM 640 N GLU A 44 4.835 9.764 -9.353 1.00 0.00 N ATOM 641 CA GLU A 44 4.534 10.406 -10.666 1.00 0.00 C ATOM 642 C GLU A 44 3.268 9.807 -11.259 1.00 0.00 C ATOM 643 O GLU A 44 2.336 10.521 -11.587 1.00 0.00 O ATOM 644 CB GLU A 44 5.767 10.147 -11.539 1.00 0.00 C ATOM 645 CG GLU A 44 6.855 11.182 -11.204 1.00 0.00 C ATOM 646 CD GLU A 44 7.281 11.059 -9.732 1.00 0.00 C ATOM 647 OE1 GLU A 44 7.598 9.956 -9.309 1.00 0.00 O ATOM 648 OE2 GLU A 44 7.273 12.070 -9.051 1.00 0.00 O ATOM 0 H GLU A 44 5.635 9.131 -9.354 1.00 0.00 H new ATOM 0 HA GLU A 44 4.347 11.476 -10.580 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.143 9.139 -11.367 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.500 10.212 -12.594 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.719 11.033 -11.852 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.481 12.187 -11.398 1.00 0.00 H new ATOM 655 N GLU A 45 3.199 8.517 -11.348 1.00 0.00 N ATOM 656 CA GLU A 45 1.957 7.865 -11.873 1.00 0.00 C ATOM 657 C GLU A 45 0.835 7.949 -10.813 1.00 0.00 C ATOM 658 O GLU A 45 -0.259 7.458 -11.021 1.00 0.00 O ATOM 659 CB GLU A 45 2.337 6.402 -12.141 1.00 0.00 C ATOM 660 CG GLU A 45 3.400 6.331 -13.248 1.00 0.00 C ATOM 661 CD GLU A 45 4.771 6.088 -12.621 1.00 0.00 C ATOM 662 OE1 GLU A 45 5.363 7.040 -12.146 1.00 0.00 O ATOM 663 OE2 GLU A 45 5.199 4.944 -12.599 1.00 0.00 O ATOM 0 H GLU A 45 3.946 7.875 -11.082 1.00 0.00 H new ATOM 0 HA GLU A 45 1.589 8.351 -12.777 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.719 5.944 -11.229 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.454 5.836 -12.437 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.160 5.529 -13.947 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.409 7.259 -13.819 1.00 0.00 H new ATOM 670 N LYS A 46 1.106 8.573 -9.676 1.00 0.00 N ATOM 671 CA LYS A 46 0.073 8.704 -8.588 1.00 0.00 C ATOM 672 C LYS A 46 -0.560 7.339 -8.233 1.00 0.00 C ATOM 673 O LYS A 46 -1.766 7.168 -8.271 1.00 0.00 O ATOM 674 CB LYS A 46 -0.977 9.677 -9.148 1.00 0.00 C ATOM 675 CG LYS A 46 -1.133 10.875 -8.198 1.00 0.00 C ATOM 676 CD LYS A 46 0.152 11.714 -8.192 1.00 0.00 C ATOM 677 CE LYS A 46 0.342 12.376 -9.562 1.00 0.00 C ATOM 678 NZ LYS A 46 1.789 12.202 -9.902 1.00 0.00 N ATOM 0 H LYS A 46 2.007 8.999 -9.458 1.00 0.00 H new ATOM 0 HA LYS A 46 0.513 9.069 -7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.676 10.022 -10.137 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.933 9.167 -9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.977 11.490 -8.511 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.352 10.523 -7.190 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.097 12.475 -7.414 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.009 11.082 -7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.295 11.909 -10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.073 13.432 -9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.228 13.135 -10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.270 11.704 -9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.876 11.646 -10.777 1.00 0.00 H new ATOM 692 N ASN A 47 0.249 6.367 -7.870 1.00 0.00 N ATOM 693 CA ASN A 47 -0.303 5.025 -7.495 1.00 0.00 C ATOM 694 C ASN A 47 0.805 4.136 -6.904 1.00 0.00 C ATOM 695 O ASN A 47 1.983 4.368 -7.122 1.00 0.00 O ATOM 696 CB ASN A 47 -0.851 4.434 -8.798 1.00 0.00 C ATOM 697 CG ASN A 47 -2.137 3.664 -8.500 1.00 0.00 C ATOM 698 OD1 ASN A 47 -2.126 2.722 -7.740 1.00 0.00 O ATOM 699 ND2 ASN A 47 -3.255 4.030 -9.058 1.00 0.00 N ATOM 0 H ASN A 47 1.265 6.446 -7.818 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.080 5.097 -6.734 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -1.048 5.229 -9.517 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.113 3.771 -9.249 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -4.117 3.524 -8.854 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -3.269 4.823 -9.699 1.00 0.00 H new ATOM 706 N ALA A 48 0.444 3.123 -6.150 1.00 0.00 N ATOM 707 CA ALA A 48 1.485 2.235 -5.541 1.00 0.00 C ATOM 708 C ALA A 48 1.024 0.774 -5.480 1.00 0.00 C ATOM 709 O ALA A 48 -0.090 0.476 -5.102 1.00 0.00 O ATOM 710 CB ALA A 48 1.680 2.788 -4.128 1.00 0.00 C ATOM 0 H ALA A 48 -0.521 2.874 -5.931 1.00 0.00 H new ATOM 0 HA ALA A 48 2.403 2.233 -6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.430 2.195 -3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.013 3.824 -4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.736 2.740 -3.585 1.00 0.00 H new ATOM 716 N THR A 49 1.893 -0.146 -5.806 1.00 0.00 N ATOM 717 CA THR A 49 1.526 -1.584 -5.727 1.00 0.00 C ATOM 718 C THR A 49 2.570 -2.327 -4.892 1.00 0.00 C ATOM 719 O THR A 49 3.759 -2.096 -5.013 1.00 0.00 O ATOM 720 CB THR A 49 1.464 -2.091 -7.174 1.00 0.00 C ATOM 721 OG1 THR A 49 0.754 -3.320 -7.203 1.00 0.00 O ATOM 722 CG2 THR A 49 2.871 -2.311 -7.731 1.00 0.00 C ATOM 0 H THR A 49 2.844 0.041 -6.124 1.00 0.00 H new ATOM 0 HA THR A 49 0.565 -1.748 -5.240 1.00 0.00 H new ATOM 0 HB THR A 49 0.958 -1.345 -7.787 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.152 -3.166 -7.544 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.804 -2.670 -8.758 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.421 -1.370 -7.711 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.392 -3.049 -7.122 1.00 0.00 H new ATOM 730 N ILE A 50 2.137 -3.182 -4.008 1.00 0.00 N ATOM 731 CA ILE A 50 3.113 -3.903 -3.128 1.00 0.00 C ATOM 732 C ILE A 50 2.641 -5.331 -2.838 1.00 0.00 C ATOM 733 O ILE A 50 1.500 -5.677 -3.082 1.00 0.00 O ATOM 734 CB ILE A 50 3.155 -3.088 -1.818 1.00 0.00 C ATOM 735 CG1 ILE A 50 1.915 -3.391 -0.973 1.00 0.00 C ATOM 736 CG2 ILE A 50 3.172 -1.589 -2.122 1.00 0.00 C ATOM 737 CD1 ILE A 50 2.258 -4.454 0.069 1.00 0.00 C ATOM 0 H ILE A 50 1.156 -3.415 -3.853 1.00 0.00 H new ATOM 0 HA ILE A 50 4.091 -3.984 -3.601 1.00 0.00 H new ATOM 0 HB ILE A 50 4.059 -3.366 -1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.566 -2.483 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.103 -3.740 -1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.202 -1.029 -1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.053 -1.348 -2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.274 -1.320 -2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.376 -4.671 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.587 -5.364 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.057 -4.087 0.714 1.00 0.00 H new ATOM 749 N ILE A 51 3.500 -6.156 -2.294 1.00 0.00 N ATOM 750 CA ILE A 51 3.080 -7.543 -1.968 1.00 0.00 C ATOM 751 C ILE A 51 2.972 -7.718 -0.455 1.00 0.00 C ATOM 752 O ILE A 51 3.374 -6.869 0.317 1.00 0.00 O ATOM 753 CB ILE A 51 4.138 -8.484 -2.565 1.00 0.00 C ATOM 754 CG1 ILE A 51 5.167 -8.913 -1.514 1.00 0.00 C ATOM 755 CG2 ILE A 51 4.846 -7.835 -3.759 1.00 0.00 C ATOM 756 CD1 ILE A 51 5.809 -7.695 -0.882 1.00 0.00 C ATOM 0 H ILE A 51 4.467 -5.927 -2.065 1.00 0.00 H new ATOM 0 HA ILE A 51 2.099 -7.768 -2.385 1.00 0.00 H new ATOM 0 HB ILE A 51 3.614 -9.374 -2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.683 -9.517 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.932 -9.537 -1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.589 -8.524 -4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.114 -7.600 -4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.339 -6.918 -3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.538 -8.013 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.309 -7.107 -1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.042 -7.087 -0.402 1.00 0.00 H new ATOM 768 N TYR A 52 2.410 -8.809 -0.032 1.00 0.00 N ATOM 769 CA TYR A 52 2.240 -9.038 1.428 1.00 0.00 C ATOM 770 C TYR A 52 1.780 -10.467 1.699 1.00 0.00 C ATOM 771 O TYR A 52 1.239 -11.135 0.835 1.00 0.00 O ATOM 772 CB TYR A 52 1.153 -8.037 1.863 1.00 0.00 C ATOM 773 CG TYR A 52 -0.094 -8.217 1.015 1.00 0.00 C ATOM 774 CD1 TYR A 52 -0.123 -7.742 -0.301 1.00 0.00 C ATOM 775 CD2 TYR A 52 -1.223 -8.856 1.547 1.00 0.00 C ATOM 776 CE1 TYR A 52 -1.261 -7.906 -1.072 1.00 0.00 C ATOM 777 CE2 TYR A 52 -2.374 -9.017 0.759 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.387 -8.539 -0.556 1.00 0.00 C ATOM 779 OH TYR A 52 -3.498 -8.701 -1.361 1.00 0.00 O ATOM 0 H TYR A 52 2.060 -9.555 -0.633 1.00 0.00 H new ATOM 0 HA TYR A 52 3.174 -8.899 1.973 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.911 -8.186 2.915 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.526 -7.018 1.763 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.743 -7.247 -0.715 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.207 -9.224 2.562 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.275 -7.538 -2.087 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.246 -9.508 1.166 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.279 -8.899 -0.804 1.00 0.00 H new ATOM 789 N ASP A 53 1.974 -10.936 2.896 1.00 0.00 N ATOM 790 CA ASP A 53 1.528 -12.313 3.226 1.00 0.00 C ATOM 791 C ASP A 53 0.009 -12.310 3.493 1.00 0.00 C ATOM 792 O ASP A 53 -0.462 -11.664 4.415 1.00 0.00 O ATOM 793 CB ASP A 53 2.347 -12.707 4.469 1.00 0.00 C ATOM 794 CG ASP A 53 1.905 -11.897 5.690 1.00 0.00 C ATOM 795 OD1 ASP A 53 2.241 -10.726 5.761 1.00 0.00 O ATOM 796 OD2 ASP A 53 1.242 -12.466 6.537 1.00 0.00 O ATOM 0 H ASP A 53 2.421 -10.427 3.658 1.00 0.00 H new ATOM 0 HA ASP A 53 1.690 -13.029 2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.224 -13.771 4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.407 -12.539 4.280 1.00 0.00 H new ATOM 801 N PRO A 54 -0.718 -13.033 2.665 1.00 0.00 N ATOM 802 CA PRO A 54 -2.195 -13.111 2.818 1.00 0.00 C ATOM 803 C PRO A 54 -2.534 -13.884 4.100 1.00 0.00 C ATOM 804 O PRO A 54 -3.069 -14.986 4.076 1.00 0.00 O ATOM 805 CB PRO A 54 -2.653 -13.849 1.558 1.00 0.00 C ATOM 806 CG PRO A 54 -1.457 -14.626 1.114 1.00 0.00 C ATOM 807 CD PRO A 54 -0.245 -13.834 1.529 1.00 0.00 C ATOM 0 HA PRO A 54 -2.686 -12.142 2.912 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.496 -14.507 1.770 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.979 -13.151 0.787 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.447 -15.615 1.571 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.471 -14.774 0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.579 -14.487 1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.116 -13.202 0.718 1.00 0.00 H new ATOM 815 N LYS A 55 -2.189 -13.310 5.217 1.00 0.00 N ATOM 816 CA LYS A 55 -2.440 -13.951 6.543 1.00 0.00 C ATOM 817 C LYS A 55 -2.295 -12.881 7.635 1.00 0.00 C ATOM 818 O LYS A 55 -3.207 -12.647 8.402 1.00 0.00 O ATOM 819 CB LYS A 55 -1.402 -15.092 6.723 1.00 0.00 C ATOM 820 CG LYS A 55 -0.198 -14.948 5.767 1.00 0.00 C ATOM 821 CD LYS A 55 0.225 -16.331 5.259 1.00 0.00 C ATOM 822 CE LYS A 55 -0.301 -16.551 3.836 1.00 0.00 C ATOM 823 NZ LYS A 55 -1.705 -17.033 4.007 1.00 0.00 N ATOM 0 H LYS A 55 -1.732 -12.400 5.270 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.443 -14.372 6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.046 -15.097 7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.888 -16.052 6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.463 -14.306 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.634 -14.469 6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.312 -16.415 5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.162 -17.105 5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.269 -15.628 3.257 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.304 -17.283 3.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.956 -17.660 3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.786 -17.556 4.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.352 -16.219 4.022 1.00 0.00 H new ATOM 837 N LEU A 56 -1.170 -12.207 7.685 1.00 0.00 N ATOM 838 CA LEU A 56 -0.984 -11.126 8.701 1.00 0.00 C ATOM 839 C LEU A 56 -1.256 -9.754 8.050 1.00 0.00 C ATOM 840 O LEU A 56 -1.887 -8.897 8.641 1.00 0.00 O ATOM 841 CB LEU A 56 0.476 -11.249 9.170 1.00 0.00 C ATOM 842 CG LEU A 56 0.876 -10.020 9.991 1.00 0.00 C ATOM 843 CD1 LEU A 56 1.388 -10.463 11.363 1.00 0.00 C ATOM 844 CD2 LEU A 56 1.983 -9.261 9.255 1.00 0.00 C ATOM 0 H LEU A 56 -0.374 -12.360 7.066 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.670 -11.217 9.543 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.598 -12.151 9.770 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.135 -11.349 8.307 1.00 0.00 H new ATOM 0 HG LEU A 56 0.010 -9.371 10.122 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.672 -9.587 11.946 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.602 -11.007 11.886 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.255 -11.111 11.236 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.271 -8.385 9.836 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.848 -9.912 9.127 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.619 -8.945 8.277 1.00 0.00 H new ATOM 856 N GLN A 57 -0.793 -9.540 6.836 1.00 0.00 N ATOM 857 CA GLN A 57 -1.031 -8.228 6.154 1.00 0.00 C ATOM 858 C GLN A 57 -2.131 -8.354 5.079 1.00 0.00 C ATOM 859 O GLN A 57 -2.200 -9.331 4.360 1.00 0.00 O ATOM 860 CB GLN A 57 0.317 -7.895 5.514 1.00 0.00 C ATOM 861 CG GLN A 57 0.270 -6.495 4.903 1.00 0.00 C ATOM 862 CD GLN A 57 0.637 -5.453 5.962 1.00 0.00 C ATOM 863 OE1 GLN A 57 1.794 -5.256 6.263 1.00 0.00 O ATOM 864 NE2 GLN A 57 -0.304 -4.775 6.546 1.00 0.00 N ATOM 0 H GLN A 57 -0.261 -10.219 6.291 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.373 -7.456 6.843 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.108 -7.949 6.262 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.556 -8.629 4.745 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.962 -6.432 4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.727 -6.293 4.511 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.280 -4.937 6.296 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.068 -4.080 7.255 1.00 0.00 H new ATOM 873 N THR A 58 -2.988 -7.366 4.962 1.00 0.00 N ATOM 874 CA THR A 58 -4.081 -7.422 3.924 1.00 0.00 C ATOM 875 C THR A 58 -4.288 -6.034 3.288 1.00 0.00 C ATOM 876 O THR A 58 -3.737 -5.049 3.759 1.00 0.00 O ATOM 877 CB THR A 58 -5.354 -7.855 4.673 1.00 0.00 C ATOM 878 OG1 THR A 58 -5.791 -6.794 5.517 1.00 0.00 O ATOM 879 CG2 THR A 58 -5.078 -9.112 5.503 1.00 0.00 C ATOM 0 H THR A 58 -2.982 -6.523 5.537 1.00 0.00 H new ATOM 0 HA THR A 58 -3.831 -8.115 3.120 1.00 0.00 H new ATOM 0 HB THR A 58 -6.136 -8.084 3.949 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.603 -7.068 5.993 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.986 -9.408 6.028 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.760 -9.920 4.845 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.291 -8.904 6.228 1.00 0.00 H new ATOM 887 N PRO A 59 -5.095 -5.987 2.246 1.00 0.00 N ATOM 888 CA PRO A 59 -5.385 -4.693 1.554 1.00 0.00 C ATOM 889 C PRO A 59 -6.122 -3.739 2.501 1.00 0.00 C ATOM 890 O PRO A 59 -6.103 -2.535 2.330 1.00 0.00 O ATOM 891 CB PRO A 59 -6.262 -5.110 0.372 1.00 0.00 C ATOM 892 CG PRO A 59 -6.865 -6.407 0.792 1.00 0.00 C ATOM 893 CD PRO A 59 -5.820 -7.099 1.626 1.00 0.00 C ATOM 0 HA PRO A 59 -4.491 -4.157 1.234 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.030 -4.364 0.165 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.673 -5.223 -0.538 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.778 -6.245 1.365 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.135 -7.010 -0.074 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.270 -7.753 2.373 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.162 -7.718 1.015 1.00 0.00 H new ATOM 901 N LYS A 60 -6.728 -4.273 3.528 1.00 0.00 N ATOM 902 CA LYS A 60 -7.424 -3.415 4.526 1.00 0.00 C ATOM 903 C LYS A 60 -6.362 -2.786 5.425 1.00 0.00 C ATOM 904 O LYS A 60 -6.499 -1.674 5.879 1.00 0.00 O ATOM 905 CB LYS A 60 -8.324 -4.368 5.324 1.00 0.00 C ATOM 906 CG LYS A 60 -9.236 -3.561 6.255 1.00 0.00 C ATOM 907 CD LYS A 60 -8.522 -3.282 7.585 1.00 0.00 C ATOM 908 CE LYS A 60 -8.630 -1.790 7.929 1.00 0.00 C ATOM 909 NZ LYS A 60 -8.170 -1.677 9.347 1.00 0.00 N ATOM 0 H LYS A 60 -6.770 -5.274 3.718 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.012 -2.614 4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.925 -4.971 4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.713 -5.058 5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.514 -2.621 5.779 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.159 -4.111 6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.966 -3.881 8.380 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.474 -3.574 7.514 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.010 -1.188 7.265 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.654 -1.434 7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.435 -0.745 9.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.618 -2.422 9.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.136 -1.785 9.386 1.00 0.00 H new ATOM 923 N THR A 61 -5.278 -3.492 5.635 1.00 0.00 N ATOM 924 CA THR A 61 -4.154 -2.955 6.459 1.00 0.00 C ATOM 925 C THR A 61 -3.232 -2.147 5.551 1.00 0.00 C ATOM 926 O THR A 61 -2.575 -1.221 5.977 1.00 0.00 O ATOM 927 CB THR A 61 -3.416 -4.173 7.047 1.00 0.00 C ATOM 928 OG1 THR A 61 -2.752 -4.911 6.014 1.00 0.00 O ATOM 929 CG2 THR A 61 -4.407 -5.086 7.764 1.00 0.00 C ATOM 0 H THR A 61 -5.124 -4.430 5.265 1.00 0.00 H new ATOM 0 HA THR A 61 -4.501 -2.304 7.262 1.00 0.00 H new ATOM 0 HB THR A 61 -2.671 -3.811 7.756 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.197 -4.746 5.157 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.878 -5.945 8.177 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.891 -4.536 8.571 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.161 -5.431 7.057 1.00 0.00 H new ATOM 937 N LEU A 62 -3.233 -2.462 4.279 1.00 0.00 N ATOM 938 CA LEU A 62 -2.412 -1.678 3.311 1.00 0.00 C ATOM 939 C LEU A 62 -3.160 -0.370 3.048 1.00 0.00 C ATOM 940 O LEU A 62 -2.578 0.660 2.765 1.00 0.00 O ATOM 941 CB LEU A 62 -2.331 -2.542 2.045 1.00 0.00 C ATOM 942 CG LEU A 62 -1.377 -3.719 2.285 1.00 0.00 C ATOM 943 CD1 LEU A 62 -1.706 -4.873 1.330 1.00 0.00 C ATOM 944 CD2 LEU A 62 0.056 -3.260 2.038 1.00 0.00 C ATOM 0 H LEU A 62 -3.768 -3.229 3.871 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.409 -1.441 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.322 -2.912 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.981 -1.942 1.205 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.490 -4.064 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.021 -5.702 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.730 -5.205 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.600 -4.534 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.739 -4.093 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.155 -2.913 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.300 -2.446 2.721 1.00 0.00 H new ATOM 956 N GLN A 63 -4.460 -0.413 3.208 1.00 0.00 N ATOM 957 CA GLN A 63 -5.302 0.806 3.041 1.00 0.00 C ATOM 958 C GLN A 63 -5.323 1.551 4.376 1.00 0.00 C ATOM 959 O GLN A 63 -5.487 2.747 4.433 1.00 0.00 O ATOM 960 CB GLN A 63 -6.698 0.270 2.681 1.00 0.00 C ATOM 961 CG GLN A 63 -7.765 1.347 2.914 1.00 0.00 C ATOM 962 CD GLN A 63 -8.354 1.778 1.574 1.00 0.00 C ATOM 963 OE1 GLN A 63 -9.050 1.026 0.927 1.00 0.00 O ATOM 964 NE2 GLN A 63 -8.099 2.965 1.127 1.00 0.00 N ATOM 0 H GLN A 63 -4.979 -1.257 3.451 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.940 1.495 2.278 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.714 -0.047 1.638 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.923 -0.609 3.285 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.552 0.960 3.562 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.326 2.205 3.423 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.513 3.600 1.670 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -8.484 3.266 0.232 1.00 0.00 H new ATOM 973 N GLU A 64 -5.098 0.844 5.452 1.00 0.00 N ATOM 974 CA GLU A 64 -5.054 1.503 6.789 1.00 0.00 C ATOM 975 C GLU A 64 -3.630 1.997 7.034 1.00 0.00 C ATOM 976 O GLU A 64 -3.389 2.838 7.870 1.00 0.00 O ATOM 977 CB GLU A 64 -5.484 0.433 7.810 1.00 0.00 C ATOM 978 CG GLU A 64 -4.273 -0.099 8.596 1.00 0.00 C ATOM 979 CD GLU A 64 -4.629 -1.414 9.298 1.00 0.00 C ATOM 980 OE1 GLU A 64 -5.775 -1.574 9.692 1.00 0.00 O ATOM 981 OE2 GLU A 64 -3.751 -2.244 9.424 1.00 0.00 O ATOM 0 H GLU A 64 -4.942 -0.164 5.462 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.716 2.366 6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.213 0.857 8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.977 -0.391 7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.433 -0.256 7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.956 0.640 9.332 1.00 0.00 H new ATOM 988 N ALA A 65 -2.700 1.510 6.254 1.00 0.00 N ATOM 989 CA ALA A 65 -1.287 1.969 6.372 1.00 0.00 C ATOM 990 C ALA A 65 -1.102 3.163 5.442 1.00 0.00 C ATOM 991 O ALA A 65 -0.304 4.049 5.689 1.00 0.00 O ATOM 992 CB ALA A 65 -0.427 0.786 5.914 1.00 0.00 C ATOM 0 H ALA A 65 -2.863 0.807 5.533 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.015 2.273 7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.627 1.057 5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.619 -0.074 6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.676 0.532 4.884 1.00 0.00 H new ATOM 998 N ILE A 66 -1.878 3.211 4.385 1.00 0.00 N ATOM 999 CA ILE A 66 -1.783 4.375 3.452 1.00 0.00 C ATOM 1000 C ILE A 66 -2.694 5.481 3.978 1.00 0.00 C ATOM 1001 O ILE A 66 -2.348 6.654 3.965 1.00 0.00 O ATOM 1002 CB ILE A 66 -2.221 3.858 2.070 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -1.659 4.777 0.983 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -3.747 3.830 1.951 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -0.546 4.054 0.224 1.00 0.00 C ATOM 0 H ILE A 66 -2.566 2.502 4.131 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.778 4.790 3.377 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.840 2.844 1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.452 5.069 0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.272 5.692 1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.028 3.461 0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.160 3.172 2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.141 4.837 2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.147 4.710 -0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.251 3.784 0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.947 3.151 -0.237 1.00 0.00 H new ATOM 1017 N ASP A 67 -3.838 5.106 4.500 1.00 0.00 N ATOM 1018 CA ASP A 67 -4.743 6.134 5.082 1.00 0.00 C ATOM 1019 C ASP A 67 -4.117 6.627 6.395 1.00 0.00 C ATOM 1020 O ASP A 67 -4.267 7.774 6.769 1.00 0.00 O ATOM 1021 CB ASP A 67 -6.091 5.434 5.313 1.00 0.00 C ATOM 1022 CG ASP A 67 -6.845 5.268 3.979 1.00 0.00 C ATOM 1023 OD1 ASP A 67 -6.515 5.965 3.028 1.00 0.00 O ATOM 1024 OD2 ASP A 67 -7.746 4.444 3.928 1.00 0.00 O ATOM 0 H ASP A 67 -4.176 4.145 4.546 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.888 7.001 4.437 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.928 4.458 5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.695 6.015 6.010 1.00 0.00 H new ATOM 1029 N ASP A 68 -3.368 5.775 7.071 1.00 0.00 N ATOM 1030 CA ASP A 68 -2.687 6.212 8.333 1.00 0.00 C ATOM 1031 C ASP A 68 -1.571 7.211 7.985 1.00 0.00 C ATOM 1032 O ASP A 68 -1.392 8.212 8.652 1.00 0.00 O ATOM 1033 CB ASP A 68 -2.102 4.932 8.943 1.00 0.00 C ATOM 1034 CG ASP A 68 -1.129 5.279 10.071 1.00 0.00 C ATOM 1035 OD1 ASP A 68 -1.591 5.731 11.105 1.00 0.00 O ATOM 1036 OD2 ASP A 68 0.060 5.081 9.882 1.00 0.00 O ATOM 0 H ASP A 68 -3.203 4.805 6.802 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.365 6.706 9.029 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.906 4.304 9.327 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.587 4.356 8.174 1.00 0.00 H new ATOM 1041 N MET A 69 -0.831 6.942 6.930 1.00 0.00 N ATOM 1042 CA MET A 69 0.271 7.866 6.505 1.00 0.00 C ATOM 1043 C MET A 69 -0.276 9.284 6.296 1.00 0.00 C ATOM 1044 O MET A 69 0.292 10.251 6.768 1.00 0.00 O ATOM 1045 CB MET A 69 0.786 7.285 5.182 1.00 0.00 C ATOM 1046 CG MET A 69 2.278 6.966 5.302 1.00 0.00 C ATOM 1047 SD MET A 69 3.228 8.505 5.290 1.00 0.00 S ATOM 1048 CE MET A 69 4.502 7.985 6.467 1.00 0.00 C ATOM 0 H MET A 69 -0.946 6.116 6.343 1.00 0.00 H new ATOM 0 HA MET A 69 1.061 7.940 7.253 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.231 6.381 4.930 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.621 7.996 4.373 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.470 6.415 6.223 1.00 0.00 H new ATOM 0 HG3 MET A 69 2.591 6.327 4.477 1.00 0.00 H new ATOM 0 HE1 MET A 69 4.626 8.752 7.231 1.00 0.00 H new ATOM 0 HE2 MET A 69 4.202 7.049 6.938 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.446 7.840 5.941 1.00 0.00 H new ATOM 1058 N GLY A 70 -1.379 9.413 5.602 1.00 0.00 N ATOM 1059 CA GLY A 70 -1.970 10.772 5.378 1.00 0.00 C ATOM 1060 C GLY A 70 -2.076 11.081 3.880 1.00 0.00 C ATOM 1061 O GLY A 70 -1.867 12.204 3.457 1.00 0.00 O ATOM 0 H GLY A 70 -1.896 8.640 5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.958 10.823 5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.353 11.526 5.867 1.00 0.00 H new ATOM 1065 N PHE A 71 -2.417 10.102 3.082 1.00 0.00 N ATOM 1066 CA PHE A 71 -2.563 10.331 1.610 1.00 0.00 C ATOM 1067 C PHE A 71 -3.896 9.737 1.144 1.00 0.00 C ATOM 1068 O PHE A 71 -4.136 8.556 1.312 1.00 0.00 O ATOM 1069 CB PHE A 71 -1.401 9.574 0.951 1.00 0.00 C ATOM 1070 CG PHE A 71 -0.102 10.335 1.114 1.00 0.00 C ATOM 1071 CD1 PHE A 71 0.273 11.310 0.178 1.00 0.00 C ATOM 1072 CD2 PHE A 71 0.735 10.047 2.193 1.00 0.00 C ATOM 1073 CE1 PHE A 71 1.487 11.993 0.330 1.00 0.00 C ATOM 1074 CE2 PHE A 71 1.945 10.730 2.346 1.00 0.00 C ATOM 1075 CZ PHE A 71 2.323 11.701 1.414 1.00 0.00 C ATOM 0 H PHE A 71 -2.602 9.147 3.388 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.547 11.390 1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.306 8.584 1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.611 9.427 -0.108 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.373 11.534 -0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.447 9.294 2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.778 12.745 -0.389 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.588 10.507 3.185 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.260 12.226 1.530 1.00 0.00 H new ATOM 1085 N ASP A 72 -4.763 10.531 0.566 1.00 0.00 N ATOM 1086 CA ASP A 72 -6.076 9.982 0.098 1.00 0.00 C ATOM 1087 C ASP A 72 -5.832 8.861 -0.921 1.00 0.00 C ATOM 1088 O ASP A 72 -5.361 9.098 -2.024 1.00 0.00 O ATOM 1089 CB ASP A 72 -6.810 11.162 -0.545 1.00 0.00 C ATOM 1090 CG ASP A 72 -8.312 11.033 -0.281 1.00 0.00 C ATOM 1091 OD1 ASP A 72 -8.725 11.307 0.833 1.00 0.00 O ATOM 1092 OD2 ASP A 72 -9.024 10.665 -1.199 1.00 0.00 O ATOM 0 H ASP A 72 -4.622 11.527 0.398 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.662 9.554 0.911 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.438 12.102 -0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.619 11.182 -1.618 1.00 0.00 H new ATOM 1097 N ALA A 73 -6.119 7.638 -0.553 1.00 0.00 N ATOM 1098 CA ALA A 73 -5.874 6.508 -1.491 1.00 0.00 C ATOM 1099 C ALA A 73 -7.143 5.684 -1.743 1.00 0.00 C ATOM 1100 O ALA A 73 -8.135 5.799 -1.050 1.00 0.00 O ATOM 1101 CB ALA A 73 -4.812 5.653 -0.798 1.00 0.00 C ATOM 0 H ALA A 73 -6.510 7.377 0.352 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.557 6.867 -2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.571 4.794 -1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.913 6.248 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.194 5.307 0.162 1.00 0.00 H new ATOM 1107 N VAL A 74 -7.085 4.828 -2.726 1.00 0.00 N ATOM 1108 CA VAL A 74 -8.237 3.943 -3.061 1.00 0.00 C ATOM 1109 C VAL A 74 -7.669 2.638 -3.634 1.00 0.00 C ATOM 1110 O VAL A 74 -7.377 2.520 -4.815 1.00 0.00 O ATOM 1111 CB VAL A 74 -9.106 4.719 -4.076 1.00 0.00 C ATOM 1112 CG1 VAL A 74 -8.251 5.268 -5.219 1.00 0.00 C ATOM 1113 CG2 VAL A 74 -10.180 3.793 -4.660 1.00 0.00 C ATOM 0 H VAL A 74 -6.269 4.702 -3.325 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.856 3.682 -2.202 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.575 5.551 -3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.886 5.810 -5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.496 5.943 -4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.762 4.443 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.789 4.347 -5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.701 2.954 -5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.814 3.419 -3.856 1.00 0.00 H new ATOM 1123 N ILE A 75 -7.455 1.685 -2.768 1.00 0.00 N ATOM 1124 CA ILE A 75 -6.860 0.377 -3.162 1.00 0.00 C ATOM 1125 C ILE A 75 -7.598 -0.261 -4.341 1.00 0.00 C ATOM 1126 O ILE A 75 -8.808 -0.182 -4.477 1.00 0.00 O ATOM 1127 CB ILE A 75 -6.946 -0.498 -1.894 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -5.635 -1.265 -1.719 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -8.101 -1.501 -1.991 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -5.077 -0.981 -0.323 1.00 0.00 C ATOM 0 H ILE A 75 -7.675 1.762 -1.775 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.833 0.493 -3.508 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.123 0.155 -1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.804 -2.334 -1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.917 -0.962 -2.481 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.137 -2.104 -1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.042 -0.963 -2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.947 -2.151 -2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.141 -1.524 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.895 0.088 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.796 -1.305 0.429 1.00 0.00 H new ATOM 1142 N HIS A 76 -6.848 -0.897 -5.185 1.00 0.00 N ATOM 1143 CA HIS A 76 -7.436 -1.575 -6.379 1.00 0.00 C ATOM 1144 C HIS A 76 -7.361 -3.109 -6.226 1.00 0.00 C ATOM 1145 O HIS A 76 -7.614 -3.840 -7.165 1.00 0.00 O ATOM 1146 CB HIS A 76 -6.574 -1.104 -7.555 1.00 0.00 C ATOM 1147 CG HIS A 76 -7.465 -0.598 -8.652 1.00 0.00 C ATOM 1148 ND1 HIS A 76 -8.230 -1.448 -9.429 1.00 0.00 N ATOM 1149 CD2 HIS A 76 -7.724 0.669 -9.109 1.00 0.00 C ATOM 1150 CE1 HIS A 76 -8.910 -0.689 -10.309 1.00 0.00 C ATOM 1151 NE2 HIS A 76 -8.638 0.609 -10.158 1.00 0.00 N ATOM 0 H HIS A 76 -5.835 -0.981 -5.103 1.00 0.00 H new ATOM 0 HA HIS A 76 -8.489 -1.331 -6.516 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.895 -0.316 -7.230 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.958 -1.925 -7.921 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -7.286 1.575 -8.716 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -9.593 -1.083 -11.047 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -9.018 1.389 -10.695 1.00 0.00 H new ATOM 1159 N ASN A 77 -7.022 -3.596 -5.052 1.00 0.00 N ATOM 1160 CA ASN A 77 -6.934 -5.074 -4.835 1.00 0.00 C ATOM 1161 C ASN A 77 -7.698 -5.482 -3.563 1.00 0.00 C ATOM 1162 O ASN A 77 -7.187 -5.345 -2.464 1.00 0.00 O ATOM 1163 CB ASN A 77 -5.438 -5.362 -4.669 1.00 0.00 C ATOM 1164 CG ASN A 77 -4.862 -5.892 -5.980 1.00 0.00 C ATOM 1165 OD1 ASN A 77 -4.146 -5.193 -6.666 1.00 0.00 O ATOM 1166 ND2 ASN A 77 -5.144 -7.106 -6.358 1.00 0.00 N ATOM 0 H ASN A 77 -6.802 -3.028 -4.234 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.374 -5.633 -5.661 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.914 -4.453 -4.373 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.285 -6.091 -3.873 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.763 -7.470 -7.231 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.746 -7.693 -5.781 1.00 0.00 H new ATOM 1173 N PRO A 78 -8.896 -5.984 -3.749 1.00 0.00 N ATOM 1174 CA PRO A 78 -9.724 -6.425 -2.597 1.00 0.00 C ATOM 1175 C PRO A 78 -9.342 -7.858 -2.172 1.00 0.00 C ATOM 1176 O PRO A 78 -10.194 -8.702 -1.962 1.00 0.00 O ATOM 1177 CB PRO A 78 -11.146 -6.376 -3.155 1.00 0.00 C ATOM 1178 CG PRO A 78 -11.008 -6.535 -4.641 1.00 0.00 C ATOM 1179 CD PRO A 78 -9.591 -6.181 -5.027 1.00 0.00 C ATOM 0 HA PRO A 78 -9.595 -5.808 -1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.760 -7.171 -2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -11.631 -5.432 -2.906 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.237 -7.559 -4.936 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.716 -5.888 -5.159 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.129 -6.977 -5.611 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -9.560 -5.279 -5.638 1.00 0.00 H new ATOM 1187 N ASP A 79 -8.066 -8.132 -2.056 1.00 0.00 N ATOM 1188 CA ASP A 79 -7.607 -9.491 -1.667 1.00 0.00 C ATOM 1189 C ASP A 79 -6.852 -9.440 -0.327 1.00 0.00 C ATOM 1190 O ASP A 79 -5.654 -9.207 -0.347 1.00 0.00 O ATOM 1191 CB ASP A 79 -6.675 -9.930 -2.812 1.00 0.00 C ATOM 1192 CG ASP A 79 -7.268 -9.533 -4.166 1.00 0.00 C ATOM 1193 OD1 ASP A 79 -8.233 -10.156 -4.573 1.00 0.00 O ATOM 1194 OD2 ASP A 79 -6.744 -8.608 -4.774 1.00 0.00 O ATOM 1195 OXT ASP A 79 -7.486 -9.632 0.696 1.00 0.00 O ATOM 0 H ASP A 79 -7.317 -7.459 -2.218 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.434 -10.187 -1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.695 -9.469 -2.688 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.527 -11.009 -2.775 1.00 0.00 H new TER 1200 ASP A 79 HETATM 1201 CU CU1 A 85 5.798 15.022 -1.309 1.00 0.00 CU