USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 907 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 107 THR OG1 : rot -153:sc= 0.447 USER MOD Set 1.2: A 109 HIS :FLIP no HD1:sc= -0.35 F(o=-1.7,f=0.097) USER MOD Set 2.1: A 69 THR OG1 : rot -75:sc= 1.06 USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0.0215 USER MOD Set 3.1: A 19 SER OG : rot 120:sc= -0.0793 USER MOD Set 3.2: A 40 MET CE :methyl -111:sc= -0.697 (180deg=-0.00517) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.345 USER MOD Single : A 4 THR OG1 : rot -54:sc= 0.628 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -108:sc= 0 (180deg=-0.0939) USER MOD Single : A 14 HIS : no HE2:sc= -1.87 X(o=-1.9,f=-1.6) USER MOD Single : A 15 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.62) USER MOD Single : A 23 TYR OH : rot 150:sc= -1.07 USER MOD Single : A 25 SER OG : rot 177:sc= 0.947 USER MOD Single : A 26 THR OG1 : rot -24:sc= 1.28 USER MOD Single : A 28 THR OG1 : rot -112:sc= 0.891 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0593 USER MOD Single : A 38 GLN : amide:sc= -0.0167 X(o=-0.017,f=-0.12) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc=-0.00258 X(o=-0.0026,f=-0.21) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 145:sc= -3.97 (180deg=-8.41!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.3!) USER MOD Single : A 74 HIS : no HD1:sc= -6.72! C(o=-6.7!,f=-7!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 90 GLN : amide:sc= -0.205 K(o=-0.21,f=-2.2!) USER MOD Single : A 96 LYS NZ :NH3+ 148:sc= 1.49 (180deg=0.51) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 104 ASN :FLIP amide:sc= -2.32 F(o=-3.3,f=-2.3) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.706 9.979 1.900 1.00 0.00 N ATOM 2 CA SER A 1 -13.556 9.511 3.308 1.00 0.00 C ATOM 3 C SER A 1 -14.823 8.764 3.750 1.00 0.00 C ATOM 4 O SER A 1 -14.743 7.660 4.261 1.00 0.00 O ATOM 5 CB SER A 1 -13.310 10.718 4.223 1.00 0.00 C ATOM 6 OG SER A 1 -14.500 11.495 4.327 1.00 0.00 O ATOM 0 H1 SER A 1 -12.845 10.484 1.608 1.00 0.00 H new ATOM 0 H2 SER A 1 -13.856 9.160 1.276 1.00 0.00 H new ATOM 0 H3 SER A 1 -14.522 10.620 1.832 1.00 0.00 H new ATOM 0 HA SER A 1 -12.707 8.830 3.375 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.998 10.379 5.211 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.500 11.329 3.825 1.00 0.00 H new ATOM 0 HG SER A 1 -14.339 12.263 4.913 1.00 0.00 H new ATOM 14 N VAL A 2 -15.984 9.370 3.563 1.00 0.00 N ATOM 15 CA VAL A 2 -17.293 8.735 3.968 1.00 0.00 C ATOM 16 C VAL A 2 -17.334 7.238 3.606 1.00 0.00 C ATOM 17 O VAL A 2 -17.873 6.438 4.354 1.00 0.00 O ATOM 18 CB VAL A 2 -18.447 9.453 3.261 1.00 0.00 C ATOM 19 CG1 VAL A 2 -18.541 10.894 3.770 1.00 0.00 C ATOM 20 CG2 VAL A 2 -18.207 9.460 1.746 1.00 0.00 C ATOM 0 H VAL A 2 -16.080 10.293 3.140 1.00 0.00 H new ATOM 0 HA VAL A 2 -17.390 8.828 5.050 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.379 8.929 3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -19.362 11.405 3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.721 10.889 4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -17.607 11.415 3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -19.031 9.972 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -17.273 9.979 1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -18.146 8.434 1.383 1.00 0.00 H new ATOM 30 N GLY A 3 -16.768 6.863 2.476 1.00 0.00 N ATOM 31 CA GLY A 3 -16.765 5.424 2.058 1.00 0.00 C ATOM 32 C GLY A 3 -15.893 4.612 3.020 1.00 0.00 C ATOM 33 O GLY A 3 -14.683 4.563 2.874 1.00 0.00 O ATOM 0 H GLY A 3 -16.307 7.498 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -17.783 5.033 2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -16.385 5.331 1.040 1.00 0.00 H new ATOM 37 N THR A 4 -16.509 3.978 3.998 1.00 0.00 N ATOM 38 CA THR A 4 -15.745 3.156 4.993 1.00 0.00 C ATOM 39 C THR A 4 -16.436 1.789 5.161 1.00 0.00 C ATOM 40 O THR A 4 -16.745 1.357 6.265 1.00 0.00 O ATOM 41 CB THR A 4 -15.693 3.904 6.337 1.00 0.00 C ATOM 42 OG1 THR A 4 -14.989 3.114 7.286 1.00 0.00 O ATOM 43 CG2 THR A 4 -17.114 4.166 6.848 1.00 0.00 C ATOM 0 H THR A 4 -17.518 3.997 4.148 1.00 0.00 H new ATOM 0 HA THR A 4 -14.726 2.994 4.641 1.00 0.00 H new ATOM 0 HB THR A 4 -15.183 4.857 6.197 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.397 2.225 7.338 1.00 0.00 H new ATOM 0 HG21 THR A 4 -17.067 4.696 7.799 1.00 0.00 H new ATOM 0 HG22 THR A 4 -17.656 4.772 6.122 1.00 0.00 H new ATOM 0 HG23 THR A 4 -17.632 3.217 6.987 1.00 0.00 H new ATOM 51 N SER A 5 -16.676 1.111 4.058 1.00 0.00 N ATOM 52 CA SER A 5 -17.345 -0.229 4.104 1.00 0.00 C ATOM 53 C SER A 5 -16.281 -1.332 4.266 1.00 0.00 C ATOM 54 O SER A 5 -16.037 -2.124 3.365 1.00 0.00 O ATOM 55 CB SER A 5 -18.142 -0.431 2.808 1.00 0.00 C ATOM 56 OG SER A 5 -19.174 -1.382 3.032 1.00 0.00 O ATOM 0 H SER A 5 -16.434 1.434 3.121 1.00 0.00 H new ATOM 0 HA SER A 5 -18.026 -0.281 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.570 0.516 2.480 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.482 -0.775 2.012 1.00 0.00 H new ATOM 0 HG SER A 5 -19.685 -1.511 2.206 1.00 0.00 H new ATOM 62 N CYS A 6 -15.645 -1.379 5.421 1.00 0.00 N ATOM 63 CA CYS A 6 -14.588 -2.413 5.680 1.00 0.00 C ATOM 64 C CYS A 6 -14.720 -2.923 7.122 1.00 0.00 C ATOM 65 O CYS A 6 -15.740 -2.721 7.761 1.00 0.00 O ATOM 66 CB CYS A 6 -13.194 -1.802 5.474 1.00 0.00 C ATOM 67 SG CYS A 6 -13.189 -0.708 4.022 1.00 0.00 S ATOM 0 H CYS A 6 -15.816 -0.740 6.198 1.00 0.00 H new ATOM 0 HA CYS A 6 -14.717 -3.242 4.985 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -12.902 -1.240 6.361 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -12.458 -2.595 5.342 1.00 0.00 H new ATOM 72 N ILE A 7 -13.696 -3.583 7.628 1.00 0.00 N ATOM 73 CA ILE A 7 -13.734 -4.122 9.034 1.00 0.00 C ATOM 74 C ILE A 7 -12.299 -4.442 9.500 1.00 0.00 C ATOM 75 O ILE A 7 -11.443 -4.703 8.675 1.00 0.00 O ATOM 76 CB ILE A 7 -14.606 -5.402 9.128 1.00 0.00 C ATOM 77 CG1 ILE A 7 -14.823 -6.042 7.743 1.00 0.00 C ATOM 78 CG2 ILE A 7 -15.967 -5.043 9.728 1.00 0.00 C ATOM 79 CD1 ILE A 7 -15.594 -7.358 7.890 1.00 0.00 C ATOM 0 H ILE A 7 -12.830 -3.772 7.123 1.00 0.00 H new ATOM 0 HA ILE A 7 -14.178 -3.362 9.677 1.00 0.00 H new ATOM 0 HB ILE A 7 -14.084 -6.120 9.760 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -15.375 -5.357 7.099 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -13.862 -6.226 7.263 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -16.583 -5.940 9.796 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -15.826 -4.623 10.724 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -16.463 -4.310 9.092 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -15.743 -7.804 6.907 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -15.026 -8.045 8.517 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -16.562 -7.163 8.351 1.00 0.00 H new ATOM 91 N PRO A 8 -12.070 -4.401 10.811 1.00 0.00 N ATOM 92 CA PRO A 8 -10.734 -4.674 11.392 1.00 0.00 C ATOM 93 C PRO A 8 -10.461 -6.194 11.466 1.00 0.00 C ATOM 94 O PRO A 8 -11.253 -6.929 12.034 1.00 0.00 O ATOM 95 CB PRO A 8 -10.828 -4.083 12.802 1.00 0.00 C ATOM 96 CG PRO A 8 -12.331 -4.028 13.159 1.00 0.00 C ATOM 97 CD PRO A 8 -13.104 -4.083 11.830 1.00 0.00 C ATOM 0 HA PRO A 8 -9.925 -4.249 10.799 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.282 -4.698 13.517 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.385 -3.088 12.835 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.607 -4.864 13.802 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.566 -3.115 13.706 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.884 -4.844 11.855 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.593 -3.133 11.616 1.00 0.00 H new ATOM 105 N GLY A 9 -9.349 -6.668 10.909 1.00 0.00 N ATOM 106 CA GLY A 9 -9.022 -8.133 10.954 1.00 0.00 C ATOM 107 C GLY A 9 -9.900 -8.925 9.967 1.00 0.00 C ATOM 108 O GLY A 9 -9.826 -10.142 9.915 1.00 0.00 O ATOM 0 H GLY A 9 -8.659 -6.093 10.426 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.970 -8.282 10.711 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.172 -8.512 11.965 1.00 0.00 H new ATOM 112 N MET A 10 -10.722 -8.246 9.186 1.00 0.00 N ATOM 113 CA MET A 10 -11.607 -8.938 8.195 1.00 0.00 C ATOM 114 C MET A 10 -11.425 -8.249 6.816 1.00 0.00 C ATOM 115 O MET A 10 -11.990 -7.193 6.601 1.00 0.00 O ATOM 116 CB MET A 10 -13.060 -8.793 8.658 1.00 0.00 C ATOM 117 CG MET A 10 -13.232 -9.497 10.006 1.00 0.00 C ATOM 118 SD MET A 10 -13.317 -11.285 9.746 1.00 0.00 S ATOM 119 CE MET A 10 -15.077 -11.362 9.336 1.00 0.00 C ATOM 0 H MET A 10 -10.813 -7.230 9.198 1.00 0.00 H new ATOM 0 HA MET A 10 -11.353 -9.995 8.115 1.00 0.00 H new ATOM 0 HB2 MET A 10 -13.322 -7.739 8.749 1.00 0.00 H new ATOM 0 HB3 MET A 10 -13.734 -9.226 7.919 1.00 0.00 H new ATOM 0 HG2 MET A 10 -12.398 -9.254 10.664 1.00 0.00 H new ATOM 0 HG3 MET A 10 -14.139 -9.147 10.498 1.00 0.00 H new ATOM 0 HE1 MET A 10 -15.623 -11.819 10.161 1.00 0.00 H new ATOM 0 HE2 MET A 10 -15.455 -10.354 9.165 1.00 0.00 H new ATOM 0 HE3 MET A 10 -15.215 -11.959 8.435 1.00 0.00 H new ATOM 129 N ALA A 11 -10.623 -8.813 5.896 1.00 0.00 N ATOM 130 CA ALA A 11 -10.369 -8.177 4.542 1.00 0.00 C ATOM 131 C ALA A 11 -9.202 -7.190 4.673 1.00 0.00 C ATOM 132 O ALA A 11 -8.221 -7.295 3.959 1.00 0.00 O ATOM 133 CB ALA A 11 -11.613 -7.452 3.997 1.00 0.00 C ATOM 0 H ALA A 11 -10.134 -9.697 6.039 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.125 -8.968 3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.382 -7.013 3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -12.431 -8.164 3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.908 -6.664 4.690 1.00 0.00 H new ATOM 139 N ILE A 12 -9.300 -6.253 5.597 1.00 0.00 N ATOM 140 CA ILE A 12 -8.205 -5.262 5.827 1.00 0.00 C ATOM 141 C ILE A 12 -7.470 -5.670 7.129 1.00 0.00 C ATOM 142 O ILE A 12 -7.992 -5.419 8.202 1.00 0.00 O ATOM 143 CB ILE A 12 -8.815 -3.861 5.999 1.00 0.00 C ATOM 144 CG1 ILE A 12 -9.779 -3.558 4.839 1.00 0.00 C ATOM 145 CG2 ILE A 12 -7.701 -2.813 6.028 1.00 0.00 C ATOM 146 CD1 ILE A 12 -9.044 -3.631 3.493 1.00 0.00 C ATOM 0 H ILE A 12 -10.109 -6.137 6.208 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.514 -5.246 4.985 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.368 -3.829 6.938 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.604 -4.271 4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.213 -2.567 4.969 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.137 -1.822 6.150 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.029 -3.019 6.861 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.142 -2.851 5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.742 -3.414 2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.235 -2.900 3.480 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.632 -4.631 3.357 1.00 0.00 H new ATOM 158 N PRO A 13 -6.310 -6.328 7.026 1.00 0.00 N ATOM 159 CA PRO A 13 -5.577 -6.800 8.216 1.00 0.00 C ATOM 160 C PRO A 13 -4.701 -5.701 8.805 1.00 0.00 C ATOM 161 O PRO A 13 -4.596 -4.613 8.263 1.00 0.00 O ATOM 162 CB PRO A 13 -4.717 -7.944 7.688 1.00 0.00 C ATOM 163 CG PRO A 13 -4.562 -7.713 6.166 1.00 0.00 C ATOM 164 CD PRO A 13 -5.618 -6.667 5.755 1.00 0.00 C ATOM 0 HA PRO A 13 -6.249 -7.105 9.018 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.744 -7.956 8.179 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.187 -8.907 7.888 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.558 -7.360 5.931 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.709 -8.644 5.618 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.154 -5.788 5.307 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.313 -7.071 5.019 1.00 0.00 H new ATOM 172 N HIS A 14 -4.089 -5.998 9.925 1.00 0.00 N ATOM 173 CA HIS A 14 -3.216 -5.026 10.620 1.00 0.00 C ATOM 174 C HIS A 14 -1.803 -5.078 9.996 1.00 0.00 C ATOM 175 O HIS A 14 -1.338 -6.143 9.627 1.00 0.00 O ATOM 176 CB HIS A 14 -3.148 -5.431 12.096 1.00 0.00 C ATOM 177 CG HIS A 14 -4.541 -5.692 12.635 1.00 0.00 C ATOM 178 ND1 HIS A 14 -5.250 -4.752 13.375 1.00 0.00 N ATOM 179 CD2 HIS A 14 -5.367 -6.784 12.536 1.00 0.00 C ATOM 180 CE1 HIS A 14 -6.447 -5.296 13.682 1.00 0.00 C ATOM 181 NE2 HIS A 14 -6.566 -6.533 13.195 1.00 0.00 N ATOM 0 H HIS A 14 -4.166 -6.901 10.392 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.607 -4.013 10.525 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.534 -6.325 12.207 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.669 -4.642 12.675 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.925 -3.822 13.638 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.122 -7.702 12.023 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.214 -4.792 14.252 1.00 0.00 H new ATOM 189 N ASN A 15 -1.127 -3.943 9.870 1.00 0.00 N ATOM 190 CA ASN A 15 0.245 -3.919 9.262 1.00 0.00 C ATOM 191 C ASN A 15 0.181 -4.455 7.805 1.00 0.00 C ATOM 192 O ASN A 15 0.851 -5.421 7.470 1.00 0.00 O ATOM 193 CB ASN A 15 1.190 -4.775 10.121 1.00 0.00 C ATOM 194 CG ASN A 15 2.640 -4.414 9.798 1.00 0.00 C ATOM 195 OD1 ASN A 15 3.376 -5.222 9.266 1.00 0.00 O ATOM 196 ND2 ASN A 15 3.088 -3.226 10.100 1.00 0.00 N ATOM 0 H ASN A 15 -1.476 -3.032 10.167 1.00 0.00 H new ATOM 0 HA ASN A 15 0.624 -2.897 9.233 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.989 -4.607 11.179 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.016 -5.833 9.928 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.054 -2.977 9.890 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.472 -2.547 10.546 1.00 0.00 H new ATOM 203 N PRO A 16 -0.632 -3.814 6.966 1.00 0.00 N ATOM 204 CA PRO A 16 -0.790 -4.224 5.552 1.00 0.00 C ATOM 205 C PRO A 16 0.340 -3.685 4.666 1.00 0.00 C ATOM 206 O PRO A 16 0.878 -2.616 4.901 1.00 0.00 O ATOM 207 CB PRO A 16 -2.109 -3.572 5.132 1.00 0.00 C ATOM 208 CG PRO A 16 -2.325 -2.371 6.081 1.00 0.00 C ATOM 209 CD PRO A 16 -1.477 -2.642 7.337 1.00 0.00 C ATOM 0 HA PRO A 16 -0.771 -5.309 5.446 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.066 -3.243 4.094 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.934 -4.280 5.208 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.021 -1.440 5.602 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.379 -2.267 6.340 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.866 -1.778 7.598 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.105 -2.862 8.201 1.00 0.00 H new ATOM 217 N LEU A 17 0.653 -4.420 3.622 1.00 0.00 N ATOM 218 CA LEU A 17 1.698 -3.997 2.638 1.00 0.00 C ATOM 219 C LEU A 17 3.023 -3.627 3.332 1.00 0.00 C ATOM 220 O LEU A 17 3.676 -2.656 2.967 1.00 0.00 O ATOM 221 CB LEU A 17 1.155 -2.800 1.844 1.00 0.00 C ATOM 222 CG LEU A 17 -0.174 -3.176 1.181 1.00 0.00 C ATOM 223 CD1 LEU A 17 -0.719 -1.966 0.422 1.00 0.00 C ATOM 224 CD2 LEU A 17 0.042 -4.331 0.197 1.00 0.00 C ATOM 0 H LEU A 17 0.216 -5.316 3.408 1.00 0.00 H new ATOM 0 HA LEU A 17 1.915 -4.830 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.012 -1.947 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.877 -2.497 1.086 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.883 -3.484 1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.665 -2.229 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.878 -1.142 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.003 -1.663 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.907 -4.593 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.753 -4.027 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.434 -5.196 0.732 1.00 0.00 H new ATOM 236 N ASP A 18 3.441 -4.411 4.305 1.00 0.00 N ATOM 237 CA ASP A 18 4.744 -4.125 5.004 1.00 0.00 C ATOM 238 C ASP A 18 5.894 -4.322 4.007 1.00 0.00 C ATOM 239 O ASP A 18 6.897 -3.610 4.034 1.00 0.00 O ATOM 240 CB ASP A 18 4.923 -5.071 6.198 1.00 0.00 C ATOM 241 CG ASP A 18 4.793 -6.520 5.730 1.00 0.00 C ATOM 242 OD1 ASP A 18 3.676 -7.010 5.686 1.00 0.00 O ATOM 243 OD2 ASP A 18 5.813 -7.116 5.423 1.00 0.00 O ATOM 0 H ASP A 18 2.940 -5.232 4.644 1.00 0.00 H new ATOM 0 HA ASP A 18 4.743 -3.099 5.372 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.899 -4.913 6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.174 -4.856 6.960 1.00 0.00 H new ATOM 248 N SER A 19 5.735 -5.271 3.113 1.00 0.00 N ATOM 249 CA SER A 19 6.779 -5.540 2.078 1.00 0.00 C ATOM 250 C SER A 19 6.918 -4.310 1.182 1.00 0.00 C ATOM 251 O SER A 19 7.961 -4.084 0.594 1.00 0.00 O ATOM 252 CB SER A 19 6.372 -6.748 1.233 1.00 0.00 C ATOM 253 OG SER A 19 7.540 -7.402 0.757 1.00 0.00 O ATOM 0 H SER A 19 4.916 -5.876 3.058 1.00 0.00 H new ATOM 0 HA SER A 19 7.731 -5.753 2.564 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.772 -7.437 1.828 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.753 -6.428 0.395 1.00 0.00 H new ATOM 0 HG SER A 19 7.556 -8.325 1.087 1.00 0.00 H new ATOM 259 N CYS A 20 5.865 -3.523 1.074 1.00 0.00 N ATOM 260 CA CYS A 20 5.896 -2.297 0.224 1.00 0.00 C ATOM 261 C CYS A 20 6.642 -1.176 0.946 1.00 0.00 C ATOM 262 O CYS A 20 7.332 -0.390 0.314 1.00 0.00 O ATOM 263 CB CYS A 20 4.466 -1.872 -0.090 1.00 0.00 C ATOM 264 SG CYS A 20 3.569 -3.276 -0.811 1.00 0.00 S ATOM 0 H CYS A 20 4.977 -3.687 1.548 1.00 0.00 H new ATOM 0 HA CYS A 20 6.420 -2.510 -0.708 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.967 -1.534 0.818 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.468 -1.032 -0.784 1.00 0.00 H new ATOM 269 N ARG A 21 6.521 -1.102 2.259 1.00 0.00 N ATOM 270 CA ARG A 21 7.236 -0.037 3.021 1.00 0.00 C ATOM 271 C ARG A 21 8.752 -0.294 2.900 1.00 0.00 C ATOM 272 O ARG A 21 9.531 0.593 2.529 1.00 0.00 O ATOM 273 CB ARG A 21 6.741 -0.011 4.502 1.00 0.00 C ATOM 274 CG ARG A 21 7.626 -0.846 5.456 1.00 0.00 C ATOM 275 CD ARG A 21 7.216 -0.594 6.909 1.00 0.00 C ATOM 276 NE ARG A 21 8.439 -0.333 7.723 1.00 0.00 N ATOM 277 CZ ARG A 21 8.705 -1.072 8.769 1.00 0.00 C ATOM 278 NH1 ARG A 21 8.470 -2.355 8.745 1.00 0.00 N ATOM 279 NH2 ARG A 21 9.209 -0.523 9.841 1.00 0.00 N ATOM 0 H ARG A 21 5.958 -1.735 2.826 1.00 0.00 H new ATOM 0 HA ARG A 21 7.023 0.950 2.611 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.715 1.021 4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.719 -0.387 4.543 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.528 -1.906 5.221 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.675 -0.584 5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.538 0.257 6.966 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.679 -1.457 7.303 1.00 0.00 H new ATOM 0 HE ARG A 21 9.070 0.425 7.463 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.077 -2.786 7.908 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.679 -2.927 9.563 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.394 0.480 9.861 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.417 -1.097 10.658 1.00 0.00 H new ATOM 293 N TRP A 22 9.169 -1.514 3.202 1.00 0.00 N ATOM 294 CA TRP A 22 10.627 -1.845 3.111 1.00 0.00 C ATOM 295 C TRP A 22 11.074 -1.797 1.656 1.00 0.00 C ATOM 296 O TRP A 22 12.207 -1.444 1.358 1.00 0.00 O ATOM 297 CB TRP A 22 10.943 -3.224 3.691 1.00 0.00 C ATOM 298 CG TRP A 22 11.024 -3.099 5.162 1.00 0.00 C ATOM 299 CD1 TRP A 22 10.292 -3.774 6.053 1.00 0.00 C ATOM 300 CD2 TRP A 22 11.892 -2.236 5.903 1.00 0.00 C ATOM 301 NE1 TRP A 22 10.663 -3.370 7.328 1.00 0.00 N ATOM 302 CE2 TRP A 22 11.659 -2.410 7.279 1.00 0.00 C ATOM 303 CE3 TRP A 22 12.852 -1.329 5.490 1.00 0.00 C ATOM 304 CZ2 TRP A 22 12.375 -1.683 8.232 1.00 0.00 C ATOM 305 CZ3 TRP A 22 13.583 -0.587 6.430 1.00 0.00 C ATOM 306 CH2 TRP A 22 13.343 -0.765 7.804 1.00 0.00 C ATOM 0 H TRP A 22 8.566 -2.280 3.503 1.00 0.00 H new ATOM 0 HA TRP A 22 11.167 -1.103 3.699 1.00 0.00 H new ATOM 0 HB2 TRP A 22 10.170 -3.940 3.412 1.00 0.00 H new ATOM 0 HB3 TRP A 22 11.884 -3.599 3.289 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.538 -4.511 5.820 1.00 0.00 H new ATOM 0 HE1 TRP A 22 10.255 -3.733 8.189 1.00 0.00 H new ATOM 0 HE3 TRP A 22 13.040 -1.191 4.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 12.185 -1.826 9.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 14.329 0.120 6.099 1.00 0.00 H new ATOM 0 HH2 TRP A 22 13.904 -0.194 8.529 1.00 0.00 H new ATOM 317 N TYR A 23 10.184 -2.145 0.750 1.00 0.00 N ATOM 318 CA TYR A 23 10.527 -2.129 -0.701 1.00 0.00 C ATOM 319 C TYR A 23 10.818 -0.691 -1.117 1.00 0.00 C ATOM 320 O TYR A 23 11.667 -0.462 -1.959 1.00 0.00 O ATOM 321 CB TYR A 23 9.380 -2.724 -1.533 1.00 0.00 C ATOM 322 CG TYR A 23 9.703 -2.699 -3.025 1.00 0.00 C ATOM 323 CD1 TYR A 23 11.033 -2.767 -3.488 1.00 0.00 C ATOM 324 CD2 TYR A 23 8.656 -2.610 -3.950 1.00 0.00 C ATOM 325 CE1 TYR A 23 11.301 -2.742 -4.859 1.00 0.00 C ATOM 326 CE2 TYR A 23 8.928 -2.587 -5.322 1.00 0.00 C ATOM 327 CZ TYR A 23 10.250 -2.651 -5.777 1.00 0.00 C ATOM 328 OH TYR A 23 10.515 -2.629 -7.131 1.00 0.00 O ATOM 0 H TYR A 23 9.231 -2.440 0.962 1.00 0.00 H new ATOM 0 HA TYR A 23 11.410 -2.742 -0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.193 -3.750 -1.217 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.465 -2.162 -1.348 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.846 -2.839 -2.781 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.635 -2.559 -3.603 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.321 -2.793 -5.210 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.116 -2.520 -6.031 1.00 0.00 H new ATOM 0 HH TYR A 23 9.766 -3.033 -7.617 1.00 0.00 H new ATOM 338 N VAL A 24 10.157 0.281 -0.505 1.00 0.00 N ATOM 339 CA VAL A 24 10.458 1.705 -0.844 1.00 0.00 C ATOM 340 C VAL A 24 11.835 2.008 -0.282 1.00 0.00 C ATOM 341 O VAL A 24 12.617 2.692 -0.903 1.00 0.00 O ATOM 342 CB VAL A 24 9.457 2.673 -0.211 1.00 0.00 C ATOM 343 CG1 VAL A 24 9.794 4.107 -0.665 1.00 0.00 C ATOM 344 CG2 VAL A 24 8.029 2.309 -0.642 1.00 0.00 C ATOM 0 H VAL A 24 9.435 0.143 0.202 1.00 0.00 H new ATOM 0 HA VAL A 24 10.403 1.834 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 24 9.520 2.607 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.086 4.806 -0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.805 4.362 -0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.730 4.169 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.323 3.004 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.950 2.371 -1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.799 1.294 -0.319 1.00 0.00 H new ATOM 354 N SER A 25 12.126 1.502 0.905 1.00 0.00 N ATOM 355 CA SER A 25 13.466 1.759 1.530 1.00 0.00 C ATOM 356 C SER A 25 14.595 1.307 0.583 1.00 0.00 C ATOM 357 O SER A 25 15.619 1.961 0.477 1.00 0.00 O ATOM 358 CB SER A 25 13.594 0.982 2.840 1.00 0.00 C ATOM 359 OG SER A 25 12.348 0.988 3.525 1.00 0.00 O ATOM 0 H SER A 25 11.494 0.926 1.461 1.00 0.00 H new ATOM 0 HA SER A 25 13.550 2.829 1.721 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.903 -0.043 2.637 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.366 1.430 3.466 1.00 0.00 H new ATOM 0 HG SER A 25 12.420 0.450 4.341 1.00 0.00 H new ATOM 365 N THR A 26 14.415 0.175 -0.076 1.00 0.00 N ATOM 366 CA THR A 26 15.473 -0.382 -0.998 1.00 0.00 C ATOM 367 C THR A 26 15.506 0.363 -2.347 1.00 0.00 C ATOM 368 O THR A 26 16.550 0.824 -2.770 1.00 0.00 O ATOM 369 CB THR A 26 15.188 -1.887 -1.206 1.00 0.00 C ATOM 370 OG1 THR A 26 15.470 -2.580 0.001 1.00 0.00 O ATOM 371 CG2 THR A 26 16.052 -2.479 -2.333 1.00 0.00 C ATOM 0 H THR A 26 13.570 -0.393 -0.013 1.00 0.00 H new ATOM 0 HA THR A 26 16.455 -0.244 -0.544 1.00 0.00 H new ATOM 0 HB THR A 26 14.140 -1.999 -1.485 1.00 0.00 H new ATOM 0 HG1 THR A 26 16.119 -2.068 0.528 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.823 -3.538 -2.449 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.840 -1.958 -3.266 1.00 0.00 H new ATOM 0 HG23 THR A 26 17.106 -2.361 -2.083 1.00 0.00 H new ATOM 379 N ARG A 27 14.392 0.448 -3.027 1.00 0.00 N ATOM 380 CA ARG A 27 14.346 1.133 -4.358 1.00 0.00 C ATOM 381 C ARG A 27 14.769 2.602 -4.219 1.00 0.00 C ATOM 382 O ARG A 27 15.191 3.218 -5.184 1.00 0.00 O ATOM 383 CB ARG A 27 12.923 1.057 -4.919 1.00 0.00 C ATOM 384 CG ARG A 27 12.912 1.568 -6.363 1.00 0.00 C ATOM 385 CD ARG A 27 11.524 1.353 -6.978 1.00 0.00 C ATOM 386 NE ARG A 27 11.550 0.147 -7.853 1.00 0.00 N ATOM 387 CZ ARG A 27 10.504 -0.163 -8.573 1.00 0.00 C ATOM 388 NH1 ARG A 27 9.341 -0.324 -8.003 1.00 0.00 N ATOM 389 NH2 ARG A 27 10.623 -0.314 -9.863 1.00 0.00 N ATOM 0 H ARG A 27 13.499 0.067 -2.714 1.00 0.00 H new ATOM 0 HA ARG A 27 15.037 0.634 -5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.562 0.029 -4.884 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.247 1.654 -4.306 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.170 2.627 -6.386 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.666 1.043 -6.950 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.781 1.228 -6.190 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.231 2.229 -7.557 1.00 0.00 H new ATOM 0 HE ARG A 27 12.385 -0.437 -7.890 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.247 -0.208 -6.994 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.526 -0.566 -8.567 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.532 -0.190 -10.309 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.807 -0.556 -10.426 1.00 0.00 H new ATOM 403 N THR A 28 14.617 3.170 -3.038 1.00 0.00 N ATOM 404 CA THR A 28 14.957 4.615 -2.825 1.00 0.00 C ATOM 405 C THR A 28 16.391 4.804 -2.269 1.00 0.00 C ATOM 406 O THR A 28 17.229 5.376 -2.947 1.00 0.00 O ATOM 407 CB THR A 28 13.908 5.242 -1.880 1.00 0.00 C ATOM 408 OG1 THR A 28 14.011 4.680 -0.583 1.00 0.00 O ATOM 409 CG2 THR A 28 12.509 4.983 -2.436 1.00 0.00 C ATOM 0 H THR A 28 14.269 2.687 -2.209 1.00 0.00 H new ATOM 0 HA THR A 28 14.934 5.122 -3.790 1.00 0.00 H new ATOM 0 HB THR A 28 14.089 6.315 -1.813 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.212 4.144 -0.394 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.766 5.424 -1.772 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.422 5.431 -3.426 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.339 3.909 -2.508 1.00 0.00 H new ATOM 417 N CYS A 29 16.677 4.359 -1.052 1.00 0.00 N ATOM 418 CA CYS A 29 18.056 4.544 -0.465 1.00 0.00 C ATOM 419 C CYS A 29 18.889 3.261 -0.577 1.00 0.00 C ATOM 420 O CYS A 29 19.920 3.137 0.065 1.00 0.00 O ATOM 421 CB CYS A 29 17.949 4.925 1.016 1.00 0.00 C ATOM 422 SG CYS A 29 16.575 6.067 1.288 1.00 0.00 S ATOM 0 H CYS A 29 16.014 3.877 -0.444 1.00 0.00 H new ATOM 0 HA CYS A 29 18.547 5.337 -1.028 1.00 0.00 H new ATOM 0 HB2 CYS A 29 17.806 4.027 1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.881 5.385 1.346 1.00 0.00 H new ATOM 427 N GLY A 30 18.446 2.312 -1.361 1.00 0.00 N ATOM 428 CA GLY A 30 19.194 1.013 -1.496 1.00 0.00 C ATOM 429 C GLY A 30 19.322 0.338 -0.114 1.00 0.00 C ATOM 430 O GLY A 30 20.208 -0.473 0.101 1.00 0.00 O ATOM 0 H GLY A 30 17.594 2.376 -1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.671 0.352 -2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 30 20.184 1.194 -1.916 1.00 0.00 H new ATOM 434 N VAL A 31 18.442 0.676 0.816 1.00 0.00 N ATOM 435 CA VAL A 31 18.483 0.076 2.197 1.00 0.00 C ATOM 436 C VAL A 31 17.282 -0.860 2.381 1.00 0.00 C ATOM 437 O VAL A 31 16.345 -0.826 1.600 1.00 0.00 O ATOM 438 CB VAL A 31 18.410 1.204 3.236 1.00 0.00 C ATOM 439 CG1 VAL A 31 18.607 0.631 4.642 1.00 0.00 C ATOM 440 CG2 VAL A 31 19.504 2.242 2.951 1.00 0.00 C ATOM 0 H VAL A 31 17.690 1.350 0.671 1.00 0.00 H new ATOM 0 HA VAL A 31 19.407 -0.487 2.326 1.00 0.00 H new ATOM 0 HB VAL A 31 17.431 1.680 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.554 1.437 5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.826 -0.100 4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.582 0.148 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.449 3.041 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.482 1.764 3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.359 2.659 1.955 1.00 0.00 H new ATOM 450 N GLY A 32 17.302 -1.695 3.406 1.00 0.00 N ATOM 451 CA GLY A 32 16.162 -2.640 3.642 1.00 0.00 C ATOM 452 C GLY A 32 16.716 -4.072 3.872 1.00 0.00 C ATOM 453 O GLY A 32 17.922 -4.250 3.800 1.00 0.00 O ATOM 0 H GLY A 32 18.060 -1.758 4.085 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.583 -2.319 4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.487 -2.633 2.786 1.00 0.00 H new ATOM 457 N PRO A 33 15.854 -5.072 4.131 1.00 0.00 N ATOM 458 CA PRO A 33 16.339 -6.464 4.343 1.00 0.00 C ATOM 459 C PRO A 33 16.972 -7.002 3.046 1.00 0.00 C ATOM 460 O PRO A 33 16.989 -6.307 2.041 1.00 0.00 O ATOM 461 CB PRO A 33 15.075 -7.235 4.773 1.00 0.00 C ATOM 462 CG PRO A 33 13.876 -6.407 4.283 1.00 0.00 C ATOM 463 CD PRO A 33 14.361 -4.952 4.226 1.00 0.00 C ATOM 0 HA PRO A 33 17.122 -6.555 5.095 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.062 -8.234 4.337 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.045 -7.359 5.855 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.543 -6.746 3.302 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.028 -6.509 4.960 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.947 -4.426 3.365 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.061 -4.396 5.114 1.00 0.00 H new ATOM 471 N ARG A 34 17.521 -8.209 3.068 1.00 0.00 N ATOM 472 CA ARG A 34 18.187 -8.761 1.846 1.00 0.00 C ATOM 473 C ARG A 34 17.174 -9.565 1.018 1.00 0.00 C ATOM 474 O ARG A 34 17.134 -10.788 1.045 1.00 0.00 O ATOM 475 CB ARG A 34 19.358 -9.657 2.271 1.00 0.00 C ATOM 476 CG ARG A 34 20.588 -8.792 2.555 1.00 0.00 C ATOM 477 CD ARG A 34 20.335 -7.937 3.797 1.00 0.00 C ATOM 478 NE ARG A 34 21.638 -7.568 4.420 1.00 0.00 N ATOM 479 CZ ARG A 34 22.467 -6.789 3.782 1.00 0.00 C ATOM 480 NH1 ARG A 34 22.079 -5.609 3.386 1.00 0.00 N ATOM 481 NH2 ARG A 34 23.685 -7.193 3.540 1.00 0.00 N ATOM 0 H ARG A 34 17.532 -8.826 3.880 1.00 0.00 H new ATOM 0 HA ARG A 34 18.565 -7.943 1.233 1.00 0.00 H new ATOM 0 HB2 ARG A 34 19.089 -10.228 3.160 1.00 0.00 H new ATOM 0 HB3 ARG A 34 19.581 -10.378 1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 34 21.463 -9.424 2.708 1.00 0.00 H new ATOM 0 HG3 ARG A 34 20.802 -8.153 1.698 1.00 0.00 H new ATOM 0 HD2 ARG A 34 19.782 -7.038 3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 34 19.721 -8.486 4.511 1.00 0.00 H new ATOM 0 HE ARG A 34 21.881 -7.924 5.344 1.00 0.00 H new ATOM 0 HH11 ARG A 34 21.127 -5.295 3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 34 22.727 -5.000 2.887 1.00 0.00 H new ATOM 0 HH21 ARG A 34 23.987 -8.117 3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 34 24.334 -6.585 3.041 1.00 0.00 H new ATOM 495 N LEU A 35 16.365 -8.852 0.267 1.00 0.00 N ATOM 496 CA LEU A 35 15.339 -9.486 -0.609 1.00 0.00 C ATOM 497 C LEU A 35 15.468 -8.870 -2.001 1.00 0.00 C ATOM 498 O LEU A 35 15.478 -7.658 -2.142 1.00 0.00 O ATOM 499 CB LEU A 35 13.945 -9.208 -0.047 1.00 0.00 C ATOM 500 CG LEU A 35 13.628 -10.221 1.055 1.00 0.00 C ATOM 501 CD1 LEU A 35 14.472 -9.919 2.298 1.00 0.00 C ATOM 502 CD2 LEU A 35 12.143 -10.131 1.407 1.00 0.00 C ATOM 0 H LEU A 35 16.378 -7.833 0.228 1.00 0.00 H new ATOM 0 HA LEU A 35 15.488 -10.565 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.897 -8.194 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.201 -9.274 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 35 13.862 -11.226 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 35 14.242 -10.644 3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 35 15.530 -9.983 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.245 -8.915 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.911 -10.851 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.912 -9.125 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.545 -10.353 0.523 1.00 0.00 H new ATOM 514 N ALA A 36 15.588 -9.694 -3.023 1.00 0.00 N ATOM 515 CA ALA A 36 15.747 -9.170 -4.421 1.00 0.00 C ATOM 516 C ALA A 36 14.603 -8.192 -4.754 1.00 0.00 C ATOM 517 O ALA A 36 13.578 -8.185 -4.092 1.00 0.00 O ATOM 518 CB ALA A 36 15.757 -10.342 -5.404 1.00 0.00 C ATOM 0 H ALA A 36 15.582 -10.711 -2.946 1.00 0.00 H new ATOM 0 HA ALA A 36 16.691 -8.631 -4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.872 -9.964 -6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.587 -11.008 -5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.818 -10.891 -5.326 1.00 0.00 H new ATOM 524 N THR A 37 14.796 -7.352 -5.755 1.00 0.00 N ATOM 525 CA THR A 37 13.758 -6.332 -6.136 1.00 0.00 C ATOM 526 C THR A 37 12.545 -6.995 -6.791 1.00 0.00 C ATOM 527 O THR A 37 11.424 -6.568 -6.577 1.00 0.00 O ATOM 528 CB THR A 37 14.361 -5.318 -7.125 1.00 0.00 C ATOM 529 OG1 THR A 37 15.769 -5.220 -6.938 1.00 0.00 O ATOM 530 CG2 THR A 37 13.728 -3.946 -6.897 1.00 0.00 C ATOM 0 H THR A 37 15.639 -7.332 -6.329 1.00 0.00 H new ATOM 0 HA THR A 37 13.436 -5.827 -5.225 1.00 0.00 H new ATOM 0 HB THR A 37 14.160 -5.657 -8.141 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.139 -4.573 -7.574 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.155 -3.228 -7.597 1.00 0.00 H new ATOM 0 HG22 THR A 37 12.651 -4.011 -7.055 1.00 0.00 H new ATOM 0 HG23 THR A 37 13.926 -3.619 -5.876 1.00 0.00 H new ATOM 538 N GLN A 38 12.759 -8.010 -7.599 1.00 0.00 N ATOM 539 CA GLN A 38 11.615 -8.690 -8.295 1.00 0.00 C ATOM 540 C GLN A 38 10.752 -9.444 -7.276 1.00 0.00 C ATOM 541 O GLN A 38 9.533 -9.406 -7.340 1.00 0.00 O ATOM 542 CB GLN A 38 12.169 -9.669 -9.344 1.00 0.00 C ATOM 543 CG GLN A 38 11.534 -9.391 -10.719 1.00 0.00 C ATOM 544 CD GLN A 38 12.604 -8.896 -11.698 1.00 0.00 C ATOM 545 OE1 GLN A 38 13.624 -9.533 -11.876 1.00 0.00 O ATOM 546 NE2 GLN A 38 12.413 -7.779 -12.345 1.00 0.00 N ATOM 0 H GLN A 38 13.679 -8.398 -7.807 1.00 0.00 H new ATOM 0 HA GLN A 38 10.995 -7.942 -8.789 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.252 -9.569 -9.409 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.961 -10.695 -9.040 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.068 -10.298 -11.104 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.746 -8.645 -10.621 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.558 -7.244 -12.197 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.119 -7.441 -12.999 1.00 0.00 H new ATOM 555 N GLU A 39 11.383 -10.126 -6.349 1.00 0.00 N ATOM 556 CA GLU A 39 10.635 -10.903 -5.311 1.00 0.00 C ATOM 557 C GLU A 39 9.941 -9.940 -4.342 1.00 0.00 C ATOM 558 O GLU A 39 8.914 -10.271 -3.771 1.00 0.00 O ATOM 559 CB GLU A 39 11.611 -11.792 -4.539 1.00 0.00 C ATOM 560 CG GLU A 39 11.973 -13.010 -5.391 1.00 0.00 C ATOM 561 CD GLU A 39 13.409 -13.441 -5.088 1.00 0.00 C ATOM 562 OE1 GLU A 39 13.592 -14.219 -4.166 1.00 0.00 O ATOM 563 OE2 GLU A 39 14.303 -12.985 -5.783 1.00 0.00 O ATOM 0 H GLU A 39 12.398 -10.177 -6.267 1.00 0.00 H new ATOM 0 HA GLU A 39 9.883 -11.524 -5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.511 -11.230 -4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.162 -12.113 -3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.285 -13.829 -5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.871 -12.769 -6.449 1.00 0.00 H new ATOM 570 N MET A 40 10.493 -8.755 -4.159 1.00 0.00 N ATOM 571 CA MET A 40 9.878 -7.755 -3.237 1.00 0.00 C ATOM 572 C MET A 40 8.591 -7.265 -3.884 1.00 0.00 C ATOM 573 O MET A 40 7.516 -7.327 -3.308 1.00 0.00 O ATOM 574 CB MET A 40 10.834 -6.576 -3.081 1.00 0.00 C ATOM 575 CG MET A 40 10.535 -5.839 -1.777 1.00 0.00 C ATOM 576 SD MET A 40 11.566 -6.528 -0.458 1.00 0.00 S ATOM 577 CE MET A 40 10.440 -6.194 0.917 1.00 0.00 C ATOM 0 H MET A 40 11.350 -8.443 -4.616 1.00 0.00 H new ATOM 0 HA MET A 40 9.678 -8.196 -2.260 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.865 -6.929 -3.082 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.729 -5.896 -3.926 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.735 -4.774 -1.893 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.480 -5.940 -1.521 1.00 0.00 H new ATOM 0 HE1 MET A 40 10.865 -5.419 1.555 1.00 0.00 H new ATOM 0 HE2 MET A 40 9.480 -5.857 0.527 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.296 -7.104 1.499 1.00 0.00 H new ATOM 587 N LYS A 41 8.721 -6.790 -5.103 1.00 0.00 N ATOM 588 CA LYS A 41 7.545 -6.284 -5.879 1.00 0.00 C ATOM 589 C LYS A 41 6.475 -7.379 -5.959 1.00 0.00 C ATOM 590 O LYS A 41 5.287 -7.095 -5.954 1.00 0.00 O ATOM 591 CB LYS A 41 8.003 -5.919 -7.296 1.00 0.00 C ATOM 592 CG LYS A 41 6.841 -5.292 -8.081 1.00 0.00 C ATOM 593 CD LYS A 41 6.718 -5.963 -9.454 1.00 0.00 C ATOM 594 CE LYS A 41 5.772 -5.151 -10.340 1.00 0.00 C ATOM 595 NZ LYS A 41 5.859 -5.643 -11.745 1.00 0.00 N ATOM 0 H LYS A 41 9.610 -6.732 -5.600 1.00 0.00 H new ATOM 0 HA LYS A 41 7.128 -5.406 -5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.838 -5.221 -7.248 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.362 -6.810 -7.812 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.911 -5.408 -7.525 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.008 -4.222 -8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.699 -6.036 -9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.343 -6.980 -9.340 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.749 -5.241 -9.975 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.034 -4.094 -10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.216 -5.090 -12.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.834 -5.536 -12.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.588 -6.647 -11.779 1.00 0.00 H new ATOM 609 N ALA A 42 6.901 -8.625 -6.026 1.00 0.00 N ATOM 610 CA ALA A 42 5.938 -9.769 -6.103 1.00 0.00 C ATOM 611 C ALA A 42 5.214 -9.913 -4.764 1.00 0.00 C ATOM 612 O ALA A 42 4.028 -10.205 -4.722 1.00 0.00 O ATOM 613 CB ALA A 42 6.696 -11.060 -6.417 1.00 0.00 C ATOM 0 H ALA A 42 7.884 -8.896 -6.030 1.00 0.00 H new ATOM 0 HA ALA A 42 5.211 -9.579 -6.892 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.992 -11.891 -6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.211 -10.956 -7.372 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.425 -11.254 -5.631 1.00 0.00 H new ATOM 619 N ARG A 43 5.923 -9.699 -3.673 1.00 0.00 N ATOM 620 CA ARG A 43 5.298 -9.806 -2.317 1.00 0.00 C ATOM 621 C ARG A 43 4.220 -8.733 -2.190 1.00 0.00 C ATOM 622 O ARG A 43 3.172 -8.964 -1.607 1.00 0.00 O ATOM 623 CB ARG A 43 6.363 -9.593 -1.234 1.00 0.00 C ATOM 624 CG ARG A 43 6.804 -10.948 -0.672 1.00 0.00 C ATOM 625 CD ARG A 43 8.108 -11.377 -1.347 1.00 0.00 C ATOM 626 NE ARG A 43 8.716 -12.523 -0.602 1.00 0.00 N ATOM 627 CZ ARG A 43 9.000 -12.416 0.675 1.00 0.00 C ATOM 628 NH1 ARG A 43 9.344 -11.262 1.182 1.00 0.00 N ATOM 629 NH2 ARG A 43 8.938 -13.468 1.445 1.00 0.00 N ATOM 0 H ARG A 43 6.913 -9.454 -3.669 1.00 0.00 H new ATOM 0 HA ARG A 43 4.859 -10.795 -2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.220 -9.065 -1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.963 -8.969 -0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.946 -10.878 0.407 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.029 -11.695 -0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.915 -11.666 -2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.805 -10.540 -1.375 1.00 0.00 H new ATOM 0 HE ARG A 43 8.912 -13.396 -1.091 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.393 -10.437 0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.563 -11.186 2.175 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.669 -14.371 1.054 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.158 -13.387 2.438 1.00 0.00 H new ATOM 643 N CYS A 44 4.478 -7.564 -2.741 1.00 0.00 N ATOM 644 CA CYS A 44 3.479 -6.450 -2.678 1.00 0.00 C ATOM 645 C CYS A 44 2.295 -6.730 -3.597 1.00 0.00 C ATOM 646 O CYS A 44 1.190 -6.321 -3.303 1.00 0.00 O ATOM 647 CB CYS A 44 4.097 -5.137 -3.111 1.00 0.00 C ATOM 648 SG CYS A 44 4.976 -4.420 -1.719 1.00 0.00 S ATOM 0 H CYS A 44 5.342 -7.337 -3.233 1.00 0.00 H new ATOM 0 HA CYS A 44 3.147 -6.383 -1.642 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.780 -5.299 -3.945 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.323 -4.453 -3.461 1.00 0.00 H new ATOM 653 N CYS A 45 2.517 -7.399 -4.715 1.00 0.00 N ATOM 654 CA CYS A 45 1.385 -7.688 -5.653 1.00 0.00 C ATOM 655 C CYS A 45 0.491 -8.758 -5.027 1.00 0.00 C ATOM 656 O CYS A 45 -0.702 -8.796 -5.276 1.00 0.00 O ATOM 657 CB CYS A 45 1.901 -8.190 -7.010 1.00 0.00 C ATOM 658 SG CYS A 45 2.963 -6.954 -7.816 1.00 0.00 S ATOM 0 H CYS A 45 3.427 -7.752 -5.011 1.00 0.00 H new ATOM 0 HA CYS A 45 0.826 -6.768 -5.821 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.460 -9.115 -6.869 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.056 -8.424 -7.658 1.00 0.00 H new ATOM 663 N ARG A 46 1.067 -9.626 -4.223 1.00 0.00 N ATOM 664 CA ARG A 46 0.276 -10.708 -3.565 1.00 0.00 C ATOM 665 C ARG A 46 -0.481 -10.132 -2.368 1.00 0.00 C ATOM 666 O ARG A 46 -1.592 -10.550 -2.073 1.00 0.00 O ATOM 667 CB ARG A 46 1.227 -11.804 -3.082 1.00 0.00 C ATOM 668 CG ARG A 46 0.460 -13.120 -2.930 1.00 0.00 C ATOM 669 CD ARG A 46 0.249 -13.759 -4.306 1.00 0.00 C ATOM 670 NE ARG A 46 -1.161 -14.224 -4.426 1.00 0.00 N ATOM 671 CZ ARG A 46 -1.418 -15.413 -4.899 1.00 0.00 C ATOM 672 NH1 ARG A 46 -1.256 -15.658 -6.170 1.00 0.00 N ATOM 673 NH2 ARG A 46 -1.838 -16.356 -4.100 1.00 0.00 N ATOM 0 H ARG A 46 2.061 -9.626 -3.996 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.435 -11.125 -4.278 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.045 -11.928 -3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.672 -11.519 -2.129 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.013 -13.801 -2.283 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.502 -12.938 -2.452 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.474 -13.038 -5.092 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.932 -14.598 -4.438 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.926 -13.613 -4.139 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.929 -14.920 -6.794 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.457 -16.587 -6.540 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.965 -16.163 -3.106 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.039 -17.285 -4.469 1.00 0.00 H new ATOM 687 N GLN A 47 0.115 -9.175 -1.680 1.00 0.00 N ATOM 688 CA GLN A 47 -0.557 -8.562 -0.488 1.00 0.00 C ATOM 689 C GLN A 47 -1.694 -7.664 -0.967 1.00 0.00 C ATOM 690 O GLN A 47 -2.765 -7.613 -0.367 1.00 0.00 O ATOM 691 CB GLN A 47 0.458 -7.733 0.309 1.00 0.00 C ATOM 692 CG GLN A 47 1.473 -8.661 0.994 1.00 0.00 C ATOM 693 CD GLN A 47 1.368 -8.519 2.515 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.283 -8.510 3.064 1.00 0.00 O ATOM 695 NE2 GLN A 47 2.458 -8.411 3.225 1.00 0.00 N ATOM 0 H GLN A 47 1.037 -8.796 -1.896 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.955 -9.347 0.155 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.976 -7.041 -0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.059 -7.131 1.056 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.287 -9.695 0.703 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.483 -8.414 0.666 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.369 -8.418 2.766 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.399 -8.319 4.239 1.00 0.00 H new ATOM 704 N LEU A 48 -1.463 -6.974 -2.058 1.00 0.00 N ATOM 705 CA LEU A 48 -2.490 -6.075 -2.632 1.00 0.00 C ATOM 706 C LEU A 48 -3.639 -6.949 -3.149 1.00 0.00 C ATOM 707 O LEU A 48 -4.744 -6.836 -2.658 1.00 0.00 O ATOM 708 CB LEU A 48 -1.842 -5.198 -3.738 1.00 0.00 C ATOM 709 CG LEU A 48 -2.899 -4.577 -4.660 1.00 0.00 C ATOM 710 CD1 LEU A 48 -2.341 -3.289 -5.266 1.00 0.00 C ATOM 711 CD2 LEU A 48 -3.241 -5.559 -5.784 1.00 0.00 C ATOM 0 H LEU A 48 -0.586 -7.003 -2.578 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.896 -5.388 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.252 -4.407 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.155 -5.805 -4.328 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.799 -4.356 -4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.088 -2.843 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.094 -2.589 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.443 -3.516 -5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.992 -5.116 -6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.343 -5.780 -6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.632 -6.481 -5.355 1.00 0.00 H new ATOM 723 N GLU A 49 -3.378 -7.854 -4.089 1.00 0.00 N ATOM 724 CA GLU A 49 -4.454 -8.767 -4.609 1.00 0.00 C ATOM 725 C GLU A 49 -5.134 -9.465 -3.418 1.00 0.00 C ATOM 726 O GLU A 49 -6.299 -9.823 -3.484 1.00 0.00 O ATOM 727 CB GLU A 49 -3.821 -9.817 -5.525 1.00 0.00 C ATOM 728 CG GLU A 49 -4.844 -10.272 -6.566 1.00 0.00 C ATOM 729 CD GLU A 49 -5.712 -11.389 -5.979 1.00 0.00 C ATOM 730 OE1 GLU A 49 -5.259 -12.527 -5.981 1.00 0.00 O ATOM 731 OE2 GLU A 49 -6.815 -11.087 -5.541 1.00 0.00 O ATOM 0 H GLU A 49 -2.461 -7.992 -4.513 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.193 -8.194 -5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.944 -9.401 -6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.481 -10.670 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.470 -9.432 -6.867 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.334 -10.627 -7.461 1.00 0.00 H new ATOM 738 N ALA A 50 -4.411 -9.627 -2.316 1.00 0.00 N ATOM 739 CA ALA A 50 -5.004 -10.261 -1.092 1.00 0.00 C ATOM 740 C ALA A 50 -6.170 -9.382 -0.622 1.00 0.00 C ATOM 741 O ALA A 50 -7.308 -9.812 -0.616 1.00 0.00 O ATOM 742 CB ALA A 50 -3.940 -10.352 0.010 1.00 0.00 C ATOM 0 H ALA A 50 -3.436 -9.344 -2.221 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.357 -11.267 -1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.374 -10.813 0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.104 -10.957 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.586 -9.351 0.257 1.00 0.00 H new ATOM 748 N ILE A 51 -5.881 -8.139 -0.272 1.00 0.00 N ATOM 749 CA ILE A 51 -6.956 -7.173 0.162 1.00 0.00 C ATOM 750 C ILE A 51 -7.991 -7.073 -0.980 1.00 0.00 C ATOM 751 O ILE A 51 -7.701 -6.447 -1.972 1.00 0.00 O ATOM 752 CB ILE A 51 -6.341 -5.786 0.414 1.00 0.00 C ATOM 753 CG1 ILE A 51 -5.166 -5.884 1.404 1.00 0.00 C ATOM 754 CG2 ILE A 51 -7.410 -4.848 0.982 1.00 0.00 C ATOM 755 CD1 ILE A 51 -5.633 -6.509 2.722 1.00 0.00 C ATOM 0 H ILE A 51 -4.938 -7.751 -0.269 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.427 -7.521 1.081 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.968 -5.393 -0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.366 -6.485 0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.754 -4.892 1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.974 -3.865 1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.230 -4.757 0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.788 -5.253 1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.792 -6.572 3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.417 -5.891 3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.023 -7.509 2.532 1.00 0.00 H new ATOM 767 N PRO A 52 -9.145 -7.721 -0.851 1.00 0.00 N ATOM 768 CA PRO A 52 -10.153 -7.754 -1.942 1.00 0.00 C ATOM 769 C PRO A 52 -10.555 -6.362 -2.417 1.00 0.00 C ATOM 770 O PRO A 52 -10.513 -5.399 -1.673 1.00 0.00 O ATOM 771 CB PRO A 52 -11.314 -8.564 -1.348 1.00 0.00 C ATOM 772 CG PRO A 52 -11.123 -8.524 0.181 1.00 0.00 C ATOM 773 CD PRO A 52 -9.605 -8.388 0.395 1.00 0.00 C ATOM 0 HA PRO A 52 -9.769 -8.213 -2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.275 -8.135 -1.632 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.302 -9.590 -1.716 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.660 -7.685 0.623 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.507 -9.430 0.650 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.375 -7.793 1.279 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.129 -9.359 0.531 1.00 0.00 H new ATOM 781 N ALA A 53 -10.911 -6.273 -3.695 1.00 0.00 N ATOM 782 CA ALA A 53 -11.303 -4.973 -4.350 1.00 0.00 C ATOM 783 C ALA A 53 -12.100 -4.082 -3.392 1.00 0.00 C ATOM 784 O ALA A 53 -11.980 -2.868 -3.433 1.00 0.00 O ATOM 785 CB ALA A 53 -12.129 -5.272 -5.598 1.00 0.00 C ATOM 0 H ALA A 53 -10.945 -7.076 -4.323 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.396 -4.434 -4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.416 -4.336 -6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.537 -5.868 -6.292 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.025 -5.826 -5.317 1.00 0.00 H new ATOM 791 N TYR A 54 -12.868 -4.684 -2.508 1.00 0.00 N ATOM 792 CA TYR A 54 -13.624 -3.887 -1.501 1.00 0.00 C ATOM 793 C TYR A 54 -12.596 -3.392 -0.485 1.00 0.00 C ATOM 794 O TYR A 54 -12.005 -4.182 0.230 1.00 0.00 O ATOM 795 CB TYR A 54 -14.668 -4.769 -0.808 1.00 0.00 C ATOM 796 CG TYR A 54 -15.603 -5.351 -1.841 1.00 0.00 C ATOM 797 CD1 TYR A 54 -16.431 -4.508 -2.591 1.00 0.00 C ATOM 798 CD2 TYR A 54 -15.641 -6.735 -2.049 1.00 0.00 C ATOM 799 CE1 TYR A 54 -17.297 -5.047 -3.550 1.00 0.00 C ATOM 800 CE2 TYR A 54 -16.507 -7.275 -3.009 1.00 0.00 C ATOM 801 CZ TYR A 54 -17.334 -6.431 -3.759 1.00 0.00 C ATOM 802 OH TYR A 54 -18.187 -6.962 -4.704 1.00 0.00 O ATOM 0 H TYR A 54 -12.999 -5.694 -2.446 1.00 0.00 H new ATOM 0 HA TYR A 54 -14.152 -3.055 -1.968 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -14.175 -5.570 -0.257 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -15.231 -4.182 -0.082 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -16.402 -3.440 -2.430 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -15.003 -7.386 -1.470 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -17.936 -4.396 -4.128 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -16.536 -8.342 -3.170 1.00 0.00 H new ATOM 0 HH TYR A 54 -18.088 -7.937 -4.723 1.00 0.00 H new ATOM 812 N CYS A 55 -12.357 -2.096 -0.449 1.00 0.00 N ATOM 813 CA CYS A 55 -11.336 -1.504 0.488 1.00 0.00 C ATOM 814 C CYS A 55 -9.901 -1.821 -0.010 1.00 0.00 C ATOM 815 O CYS A 55 -8.955 -1.671 0.744 1.00 0.00 O ATOM 816 CB CYS A 55 -11.503 -2.069 1.913 1.00 0.00 C ATOM 817 SG CYS A 55 -13.234 -1.957 2.430 1.00 0.00 S ATOM 0 H CYS A 55 -12.833 -1.413 -1.038 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.492 -0.425 0.509 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -11.174 -3.108 1.941 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.872 -1.515 2.608 1.00 0.00 H new ATOM 822 N ARG A 56 -9.723 -2.263 -1.269 1.00 0.00 N ATOM 823 CA ARG A 56 -8.341 -2.589 -1.804 1.00 0.00 C ATOM 824 C ARG A 56 -7.350 -1.462 -1.420 1.00 0.00 C ATOM 825 O ARG A 56 -6.680 -1.564 -0.406 1.00 0.00 O ATOM 826 CB ARG A 56 -8.394 -2.756 -3.345 1.00 0.00 C ATOM 827 CG ARG A 56 -8.090 -4.215 -3.744 1.00 0.00 C ATOM 828 CD ARG A 56 -7.981 -4.327 -5.290 1.00 0.00 C ATOM 829 NE ARG A 56 -7.791 -5.761 -5.772 1.00 0.00 N ATOM 830 CZ ARG A 56 -7.782 -6.767 -4.967 1.00 0.00 C ATOM 831 NH1 ARG A 56 -6.785 -6.906 -4.180 1.00 0.00 N ATOM 832 NH2 ARG A 56 -8.744 -7.646 -4.986 1.00 0.00 N ATOM 0 H ARG A 56 -10.481 -2.407 -1.937 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.999 -3.525 -1.363 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.379 -2.470 -3.713 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.672 -2.087 -3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.159 -4.542 -3.280 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.877 -4.873 -3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.882 -3.914 -5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.144 -3.720 -5.635 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.666 -5.930 -6.770 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.022 -6.230 -4.199 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.752 -7.693 -3.532 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.517 -7.542 -5.644 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.724 -8.438 -4.343 1.00 0.00 H new ATOM 846 N CYS A 57 -7.247 -0.407 -2.219 1.00 0.00 N ATOM 847 CA CYS A 57 -6.293 0.730 -1.913 1.00 0.00 C ATOM 848 C CYS A 57 -6.214 1.093 -0.406 1.00 0.00 C ATOM 849 O CYS A 57 -5.132 1.405 0.061 1.00 0.00 O ATOM 850 CB CYS A 57 -6.698 1.958 -2.731 1.00 0.00 C ATOM 851 SG CYS A 57 -6.069 1.769 -4.421 1.00 0.00 S ATOM 0 H CYS A 57 -7.787 -0.286 -3.076 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.295 0.391 -2.190 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.783 2.063 -2.742 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -6.295 2.863 -2.277 1.00 0.00 H new ATOM 856 N GLU A 58 -7.317 1.076 0.351 1.00 0.00 N ATOM 857 CA GLU A 58 -7.281 1.430 1.821 1.00 0.00 C ATOM 858 C GLU A 58 -5.990 0.941 2.516 1.00 0.00 C ATOM 859 O GLU A 58 -5.405 1.673 3.287 1.00 0.00 O ATOM 860 CB GLU A 58 -8.489 0.797 2.522 1.00 0.00 C ATOM 861 CG GLU A 58 -8.980 1.723 3.646 1.00 0.00 C ATOM 862 CD GLU A 58 -10.385 2.238 3.323 1.00 0.00 C ATOM 863 OE1 GLU A 58 -11.331 1.502 3.551 1.00 0.00 O ATOM 864 OE2 GLU A 58 -10.491 3.359 2.854 1.00 0.00 O ATOM 0 H GLU A 58 -8.243 0.829 0.001 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.308 2.517 1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.290 0.626 1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.215 -0.175 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.990 1.185 4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.294 2.562 3.763 1.00 0.00 H new ATOM 871 N ALA A 59 -5.556 -0.286 2.248 1.00 0.00 N ATOM 872 CA ALA A 59 -4.304 -0.851 2.885 1.00 0.00 C ATOM 873 C ALA A 59 -3.166 0.183 2.921 1.00 0.00 C ATOM 874 O ALA A 59 -2.603 0.470 3.976 1.00 0.00 O ATOM 875 CB ALA A 59 -3.851 -2.080 2.088 1.00 0.00 C ATOM 0 H ALA A 59 -6.025 -0.926 1.606 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.538 -1.125 3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.949 -2.494 2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.640 -2.832 2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.641 -1.789 1.059 1.00 0.00 H new ATOM 881 N VAL A 60 -2.829 0.740 1.780 1.00 0.00 N ATOM 882 CA VAL A 60 -1.736 1.767 1.721 1.00 0.00 C ATOM 883 C VAL A 60 -2.096 2.926 2.661 1.00 0.00 C ATOM 884 O VAL A 60 -1.249 3.427 3.381 1.00 0.00 O ATOM 885 CB VAL A 60 -1.571 2.282 0.282 1.00 0.00 C ATOM 886 CG1 VAL A 60 -0.524 3.406 0.235 1.00 0.00 C ATOM 887 CG2 VAL A 60 -1.103 1.130 -0.605 1.00 0.00 C ATOM 0 H VAL A 60 -3.266 0.527 0.883 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.793 1.320 2.035 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.527 2.670 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.417 3.761 -0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.845 4.229 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.434 3.026 0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.983 1.485 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.149 0.752 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.843 0.330 -0.583 1.00 0.00 H new ATOM 897 N ARG A 61 -3.346 3.340 2.653 1.00 0.00 N ATOM 898 CA ARG A 61 -3.793 4.462 3.543 1.00 0.00 C ATOM 899 C ARG A 61 -3.530 4.096 5.012 1.00 0.00 C ATOM 900 O ARG A 61 -3.296 4.959 5.835 1.00 0.00 O ATOM 901 CB ARG A 61 -5.291 4.705 3.339 1.00 0.00 C ATOM 902 CG ARG A 61 -5.594 6.203 3.470 1.00 0.00 C ATOM 903 CD ARG A 61 -4.901 6.982 2.345 1.00 0.00 C ATOM 904 NE ARG A 61 -5.922 7.738 1.566 1.00 0.00 N ATOM 905 CZ ARG A 61 -6.596 8.701 2.135 1.00 0.00 C ATOM 906 NH1 ARG A 61 -5.965 9.711 2.670 1.00 0.00 N ATOM 907 NH2 ARG A 61 -7.901 8.655 2.168 1.00 0.00 N ATOM 0 H ARG A 61 -4.079 2.945 2.064 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.237 5.365 3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.597 4.347 2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.864 4.142 4.076 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.670 6.369 3.428 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.253 6.568 4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.165 7.668 2.763 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.363 6.296 1.691 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.094 7.503 0.588 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.946 9.748 2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.491 10.463 3.115 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.394 7.867 1.749 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.427 9.408 2.613 1.00 0.00 H new ATOM 921 N ILE A 62 -3.584 2.823 5.335 1.00 0.00 N ATOM 922 CA ILE A 62 -3.349 2.356 6.743 1.00 0.00 C ATOM 923 C ILE A 62 -1.851 2.335 7.057 1.00 0.00 C ATOM 924 O ILE A 62 -1.470 2.497 8.205 1.00 0.00 O ATOM 925 CB ILE A 62 -3.965 0.944 6.919 1.00 0.00 C ATOM 926 CG1 ILE A 62 -5.479 1.079 7.119 1.00 0.00 C ATOM 927 CG2 ILE A 62 -3.363 0.205 8.135 1.00 0.00 C ATOM 928 CD1 ILE A 62 -6.195 0.883 5.783 1.00 0.00 C ATOM 0 H ILE A 62 -3.784 2.075 4.671 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.827 3.046 7.439 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.742 0.364 6.023 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.827 0.340 7.841 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.715 2.061 7.528 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.820 -0.780 8.225 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.287 0.095 7.998 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.556 0.779 9.042 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.271 0.980 5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.856 1.638 5.074 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -5.970 -0.109 5.392 1.00 0.00 H new ATOM 940 N LEU A 63 -1.011 2.099 6.076 1.00 0.00 N ATOM 941 CA LEU A 63 0.459 2.047 6.365 1.00 0.00 C ATOM 942 C LEU A 63 1.016 3.454 6.520 1.00 0.00 C ATOM 943 O LEU A 63 1.825 3.703 7.394 1.00 0.00 O ATOM 944 CB LEU A 63 1.201 1.316 5.246 1.00 0.00 C ATOM 945 CG LEU A 63 2.605 0.950 5.730 1.00 0.00 C ATOM 946 CD1 LEU A 63 2.589 -0.460 6.321 1.00 0.00 C ATOM 947 CD2 LEU A 63 3.581 0.998 4.553 1.00 0.00 C ATOM 0 H LEU A 63 -1.273 1.942 5.103 1.00 0.00 H new ATOM 0 HA LEU A 63 0.605 1.502 7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.656 0.417 4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.262 1.948 4.360 1.00 0.00 H new ATOM 0 HG LEU A 63 2.922 1.661 6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.589 -0.721 6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.895 -0.495 7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.271 -1.171 5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.581 0.737 4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.265 0.288 3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.594 2.003 4.132 1.00 0.00 H new ATOM 959 N MET A 64 0.598 4.363 5.679 1.00 0.00 N ATOM 960 CA MET A 64 1.102 5.763 5.766 1.00 0.00 C ATOM 961 C MET A 64 0.384 6.516 6.896 1.00 0.00 C ATOM 962 O MET A 64 1.026 7.113 7.745 1.00 0.00 O ATOM 963 CB MET A 64 0.859 6.474 4.427 1.00 0.00 C ATOM 964 CG MET A 64 1.699 7.754 4.354 1.00 0.00 C ATOM 965 SD MET A 64 0.597 9.189 4.309 1.00 0.00 S ATOM 966 CE MET A 64 0.559 9.497 6.092 1.00 0.00 C ATOM 0 H MET A 64 -0.075 4.194 4.931 1.00 0.00 H new ATOM 0 HA MET A 64 2.170 5.747 5.982 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.118 5.811 3.601 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.198 6.716 4.321 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.363 7.817 5.216 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.331 7.738 3.466 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.504 10.570 6.275 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.313 9.009 6.527 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.464 9.097 6.550 1.00 0.00 H new ATOM 976 N ASP A 65 -0.941 6.498 6.903 1.00 0.00 N ATOM 977 CA ASP A 65 -1.711 7.222 7.973 1.00 0.00 C ATOM 978 C ASP A 65 -1.785 6.394 9.262 1.00 0.00 C ATOM 979 O ASP A 65 -2.010 6.943 10.329 1.00 0.00 O ATOM 980 CB ASP A 65 -3.128 7.641 7.495 1.00 0.00 C ATOM 981 CG ASP A 65 -3.015 8.918 6.659 1.00 0.00 C ATOM 982 OD1 ASP A 65 -2.826 8.801 5.460 1.00 0.00 O ATOM 983 OD2 ASP A 65 -3.121 9.990 7.232 1.00 0.00 O ATOM 0 H ASP A 65 -1.516 6.013 6.214 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.164 8.139 8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.577 6.843 6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.780 7.809 8.352 1.00 0.00 H new ATOM 988 N GLY A 66 -1.631 5.083 9.173 1.00 0.00 N ATOM 989 CA GLY A 66 -1.728 4.220 10.394 1.00 0.00 C ATOM 990 C GLY A 66 -3.200 3.852 10.626 1.00 0.00 C ATOM 991 O GLY A 66 -4.093 4.623 10.315 1.00 0.00 O ATOM 0 H GLY A 66 -1.443 4.581 8.305 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.129 3.318 10.267 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.330 4.747 11.261 1.00 0.00 H new ATOM 995 N VAL A 67 -3.448 2.674 11.157 1.00 0.00 N ATOM 996 CA VAL A 67 -4.852 2.206 11.414 1.00 0.00 C ATOM 997 C VAL A 67 -5.050 1.973 12.912 1.00 0.00 C ATOM 998 O VAL A 67 -4.099 1.821 13.656 1.00 0.00 O ATOM 999 CB VAL A 67 -5.121 0.915 10.633 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -4.091 -0.146 11.026 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -6.533 0.392 10.934 1.00 0.00 C ATOM 0 H VAL A 67 -2.725 2.007 11.427 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.555 2.969 11.080 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.043 1.127 9.567 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.283 -1.064 10.470 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.089 0.216 10.794 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.165 -0.347 12.095 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.709 -0.525 10.372 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.625 0.187 12.001 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.268 1.142 10.643 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.291 1.967 13.345 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.602 1.772 14.791 1.00 0.00 C ATOM 1013 C VAL A 68 -7.361 0.457 14.980 1.00 0.00 C ATOM 1014 O VAL A 68 -7.941 -0.089 14.057 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.425 2.960 15.306 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -7.895 2.709 16.748 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.536 4.202 15.284 1.00 0.00 C ATOM 0 H VAL A 68 -7.108 2.091 12.747 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.676 1.721 15.364 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.301 3.094 14.672 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.477 3.563 17.095 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.514 1.812 16.778 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.028 2.574 17.395 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.101 5.061 15.647 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.670 4.041 15.925 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.202 4.392 14.264 1.00 0.00 H new ATOM 1027 N THR A 69 -7.297 -0.053 16.182 1.00 0.00 N ATOM 1028 CA THR A 69 -7.931 -1.350 16.530 1.00 0.00 C ATOM 1029 C THR A 69 -9.010 -1.129 17.581 1.00 0.00 C ATOM 1030 O THR A 69 -9.045 -0.113 18.249 1.00 0.00 O ATOM 1031 CB THR A 69 -6.866 -2.314 17.059 1.00 0.00 C ATOM 1032 OG1 THR A 69 -6.136 -1.686 18.098 1.00 0.00 O ATOM 1033 CG2 THR A 69 -5.911 -2.687 15.925 1.00 0.00 C ATOM 0 H THR A 69 -6.813 0.396 16.960 1.00 0.00 H new ATOM 0 HA THR A 69 -8.390 -1.781 15.641 1.00 0.00 H new ATOM 0 HB THR A 69 -7.348 -3.213 17.443 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.520 -1.028 17.713 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.152 -3.373 16.300 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.470 -3.167 15.122 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.430 -1.786 15.544 1.00 0.00 H new ATOM 1041 N SER A 70 -9.910 -2.070 17.677 1.00 0.00 N ATOM 1042 CA SER A 70 -11.050 -1.982 18.636 1.00 0.00 C ATOM 1043 C SER A 70 -10.536 -1.963 20.072 1.00 0.00 C ATOM 1044 O SER A 70 -11.137 -1.365 20.948 1.00 0.00 O ATOM 1045 CB SER A 70 -11.957 -3.193 18.432 1.00 0.00 C ATOM 1046 OG SER A 70 -13.062 -3.109 19.323 1.00 0.00 O ATOM 0 H SER A 70 -9.902 -2.921 17.114 1.00 0.00 H new ATOM 0 HA SER A 70 -11.605 -1.062 18.455 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.309 -3.229 17.401 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.400 -4.113 18.611 1.00 0.00 H new ATOM 0 HG SER A 70 -13.647 -3.885 19.193 1.00 0.00 H new ATOM 1052 N SER A 71 -9.429 -2.617 20.302 1.00 0.00 N ATOM 1053 CA SER A 71 -8.828 -2.670 21.672 1.00 0.00 C ATOM 1054 C SER A 71 -8.305 -1.285 22.076 1.00 0.00 C ATOM 1055 O SER A 71 -8.057 -1.035 23.244 1.00 0.00 O ATOM 1056 CB SER A 71 -7.672 -3.669 21.684 1.00 0.00 C ATOM 1057 OG SER A 71 -6.900 -3.512 20.500 1.00 0.00 O ATOM 0 H SER A 71 -8.906 -3.125 19.589 1.00 0.00 H new ATOM 0 HA SER A 71 -9.594 -2.983 22.381 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.047 -3.509 22.563 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.057 -4.687 21.748 1.00 0.00 H new ATOM 0 HG SER A 71 -6.157 -4.151 20.507 1.00 0.00 H new ATOM 1063 N GLY A 72 -8.123 -0.394 21.119 1.00 0.00 N ATOM 1064 CA GLY A 72 -7.600 0.975 21.429 1.00 0.00 C ATOM 1065 C GLY A 72 -6.099 1.041 21.086 1.00 0.00 C ATOM 1066 O GLY A 72 -5.416 1.965 21.496 1.00 0.00 O ATOM 0 H GLY A 72 -8.317 -0.563 20.132 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.148 1.724 20.857 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.754 1.205 22.483 1.00 0.00 H new ATOM 1070 N GLN A 73 -5.583 0.066 20.342 1.00 0.00 N ATOM 1071 CA GLN A 73 -4.129 0.066 19.975 1.00 0.00 C ATOM 1072 C GLN A 73 -3.970 0.537 18.526 1.00 0.00 C ATOM 1073 O GLN A 73 -4.889 0.429 17.746 1.00 0.00 O ATOM 1074 CB GLN A 73 -3.572 -1.354 20.126 1.00 0.00 C ATOM 1075 CG GLN A 73 -3.763 -1.838 21.576 1.00 0.00 C ATOM 1076 CD GLN A 73 -2.403 -2.036 22.265 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -1.416 -1.421 21.904 1.00 0.00 O ATOM 1078 NE2 GLN A 73 -2.314 -2.875 23.262 1.00 0.00 N ATOM 0 H GLN A 73 -6.116 -0.724 19.979 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.581 0.741 20.632 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.080 -2.029 19.438 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.514 -1.369 19.864 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.356 -1.112 22.132 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.319 -2.775 21.582 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.138 -3.393 23.568 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.421 -3.013 23.734 1.00 0.00 H new ATOM 1087 N HIS A 74 -2.813 1.056 18.166 1.00 0.00 N ATOM 1088 CA HIS A 74 -2.589 1.542 16.770 1.00 0.00 C ATOM 1089 C HIS A 74 -1.501 0.693 16.116 1.00 0.00 C ATOM 1090 O HIS A 74 -0.674 0.106 16.795 1.00 0.00 O ATOM 1091 CB HIS A 74 -2.103 2.986 16.796 1.00 0.00 C ATOM 1092 CG HIS A 74 -3.249 3.948 16.980 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -3.312 5.147 16.286 1.00 0.00 N ATOM 1094 CD2 HIS A 74 -4.364 3.923 17.784 1.00 0.00 C ATOM 1095 CE1 HIS A 74 -4.425 5.791 16.683 1.00 0.00 C ATOM 1096 NE2 HIS A 74 -5.103 5.089 17.594 1.00 0.00 N ATOM 0 H HIS A 74 -2.012 1.162 18.788 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.525 1.471 16.215 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.384 3.115 17.605 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.581 3.213 15.866 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.627 3.122 18.459 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.732 6.757 16.310 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.976 5.350 18.053 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.502 0.636 14.802 1.00 0.00 N ATOM 1105 CA GLU A 75 -0.478 -0.166 14.067 1.00 0.00 C ATOM 1106 C GLU A 75 -0.125 0.523 12.754 1.00 0.00 C ATOM 1107 O GLU A 75 -0.561 1.632 12.488 1.00 0.00 O ATOM 1108 CB GLU A 75 -1.021 -1.569 13.786 1.00 0.00 C ATOM 1109 CG GLU A 75 -1.493 -2.203 15.097 1.00 0.00 C ATOM 1110 CD GLU A 75 -1.742 -3.698 14.891 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -0.772 -4.447 14.880 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -2.902 -4.071 14.756 1.00 0.00 O ATOM 0 H GLU A 75 -2.176 1.117 14.206 1.00 0.00 H new ATOM 0 HA GLU A 75 0.419 -0.246 14.681 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.847 -1.516 13.077 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.247 -2.186 13.329 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.743 -2.054 15.874 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.407 -1.717 15.438 1.00 0.00 H new ATOM 1119 N GLY A 76 0.677 -0.131 11.945 1.00 0.00 N ATOM 1120 CA GLY A 76 1.105 0.457 10.639 1.00 0.00 C ATOM 1121 C GLY A 76 1.852 1.762 10.906 1.00 0.00 C ATOM 1122 O GLY A 76 2.499 1.910 11.930 1.00 0.00 O ATOM 0 H GLY A 76 1.056 -1.058 12.139 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.747 -0.242 10.103 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.237 0.642 10.006 1.00 0.00 H new ATOM 1126 N ARG A 77 1.758 2.706 9.996 1.00 0.00 N ATOM 1127 CA ARG A 77 2.452 4.025 10.179 1.00 0.00 C ATOM 1128 C ARG A 77 3.960 3.792 10.400 1.00 0.00 C ATOM 1129 O ARG A 77 4.625 4.570 11.070 1.00 0.00 O ATOM 1130 CB ARG A 77 1.852 4.724 11.406 1.00 0.00 C ATOM 1131 CG ARG A 77 2.200 6.213 11.371 1.00 0.00 C ATOM 1132 CD ARG A 77 1.015 7.030 11.884 1.00 0.00 C ATOM 1133 NE ARG A 77 1.068 8.394 11.291 1.00 0.00 N ATOM 1134 CZ ARG A 77 0.369 9.364 11.813 1.00 0.00 C ATOM 1135 NH1 ARG A 77 -0.876 9.166 12.153 1.00 0.00 N ATOM 1136 NH2 ARG A 77 0.916 10.534 11.991 1.00 0.00 N ATOM 0 H ARG A 77 1.227 2.619 9.129 1.00 0.00 H new ATOM 0 HA ARG A 77 2.317 4.645 9.292 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.770 4.594 11.418 1.00 0.00 H new ATOM 0 HB3 ARG A 77 2.238 4.272 12.320 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.080 6.405 11.985 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.449 6.515 10.354 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.078 6.541 11.618 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.044 7.092 12.972 1.00 0.00 H new ATOM 0 HE ARG A 77 1.653 8.571 10.474 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.304 8.251 12.011 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.420 9.926 12.561 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.888 10.689 11.722 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.372 11.294 12.399 1.00 0.00 H new ATOM 1150 N LEU A 78 4.494 2.710 9.856 1.00 0.00 N ATOM 1151 CA LEU A 78 5.940 2.390 10.042 1.00 0.00 C ATOM 1152 C LEU A 78 6.805 3.092 8.984 1.00 0.00 C ATOM 1153 O LEU A 78 8.012 3.168 9.149 1.00 0.00 O ATOM 1154 CB LEU A 78 6.132 0.868 9.958 1.00 0.00 C ATOM 1155 CG LEU A 78 6.198 0.271 11.373 1.00 0.00 C ATOM 1156 CD1 LEU A 78 4.888 0.551 12.118 1.00 0.00 C ATOM 1157 CD2 LEU A 78 6.419 -1.246 11.282 1.00 0.00 C ATOM 0 H LEU A 78 3.978 2.037 9.289 1.00 0.00 H new ATOM 0 HA LEU A 78 6.257 2.750 11.021 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.309 0.419 9.402 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.048 0.638 9.413 1.00 0.00 H new ATOM 0 HG LEU A 78 7.026 0.729 11.915 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.941 0.125 13.120 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.733 1.628 12.189 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.057 0.099 11.576 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.466 -1.668 12.286 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.594 -1.702 10.735 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.355 -1.447 10.760 1.00 0.00 H new ATOM 1169 N LEU A 79 6.215 3.617 7.914 1.00 0.00 N ATOM 1170 CA LEU A 79 7.044 4.325 6.879 1.00 0.00 C ATOM 1171 C LEU A 79 7.347 5.744 7.382 1.00 0.00 C ATOM 1172 O LEU A 79 6.651 6.697 7.064 1.00 0.00 O ATOM 1173 CB LEU A 79 6.310 4.368 5.528 1.00 0.00 C ATOM 1174 CG LEU A 79 4.914 4.997 5.689 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.867 6.362 4.986 1.00 0.00 C ATOM 1176 CD2 LEU A 79 3.863 4.067 5.068 1.00 0.00 C ATOM 0 H LEU A 79 5.214 3.583 7.723 1.00 0.00 H new ATOM 0 HA LEU A 79 7.978 3.785 6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.893 4.944 4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.216 3.359 5.127 1.00 0.00 H new ATOM 0 HG LEU A 79 4.704 5.135 6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.876 6.799 5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.611 7.025 5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.081 6.232 3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.873 4.510 5.181 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.080 3.928 4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.888 3.101 5.573 1.00 0.00 H new ATOM 1188 N GLN A 80 8.384 5.872 8.187 1.00 0.00 N ATOM 1189 CA GLN A 80 8.769 7.200 8.763 1.00 0.00 C ATOM 1190 C GLN A 80 10.243 7.478 8.493 1.00 0.00 C ATOM 1191 O GLN A 80 10.906 6.752 7.771 1.00 0.00 O ATOM 1192 CB GLN A 80 8.529 7.193 10.277 1.00 0.00 C ATOM 1193 CG GLN A 80 7.106 6.713 10.574 1.00 0.00 C ATOM 1194 CD GLN A 80 6.795 6.912 12.058 1.00 0.00 C ATOM 1195 OE1 GLN A 80 5.887 7.640 12.408 1.00 0.00 O ATOM 1196 NE2 GLN A 80 7.517 6.295 12.954 1.00 0.00 N ATOM 0 H GLN A 80 8.985 5.098 8.470 1.00 0.00 H new ATOM 0 HA GLN A 80 8.163 7.976 8.296 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.252 6.541 10.766 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.677 8.194 10.683 1.00 0.00 H new ATOM 0 HG2 GLN A 80 6.391 7.266 9.965 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.004 5.661 10.309 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.279 5.684 12.662 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.319 6.424 13.946 1.00 0.00 H new ATOM 1205 N ASP A 81 10.735 8.545 9.068 1.00 0.00 N ATOM 1206 CA ASP A 81 12.160 8.961 8.882 1.00 0.00 C ATOM 1207 C ASP A 81 13.122 7.795 9.143 1.00 0.00 C ATOM 1208 O ASP A 81 13.435 7.463 10.275 1.00 0.00 O ATOM 1209 CB ASP A 81 12.488 10.104 9.842 1.00 0.00 C ATOM 1210 CG ASP A 81 11.730 11.365 9.421 1.00 0.00 C ATOM 1211 OD1 ASP A 81 10.521 11.284 9.275 1.00 0.00 O ATOM 1212 OD2 ASP A 81 12.371 12.389 9.252 1.00 0.00 O ATOM 0 H ASP A 81 10.195 9.162 9.675 1.00 0.00 H new ATOM 0 HA ASP A 81 12.284 9.286 7.849 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.214 9.827 10.860 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.561 10.296 9.841 1.00 0.00 H new ATOM 1217 N LEU A 82 13.613 7.219 8.079 1.00 0.00 N ATOM 1218 CA LEU A 82 14.604 6.099 8.153 1.00 0.00 C ATOM 1219 C LEU A 82 16.010 6.703 7.940 1.00 0.00 C ATOM 1220 O LEU A 82 16.108 7.861 7.560 1.00 0.00 O ATOM 1221 CB LEU A 82 14.283 5.086 7.045 1.00 0.00 C ATOM 1222 CG LEU A 82 13.155 4.155 7.500 1.00 0.00 C ATOM 1223 CD1 LEU A 82 12.603 3.393 6.293 1.00 0.00 C ATOM 1224 CD2 LEU A 82 13.701 3.151 8.518 1.00 0.00 C ATOM 0 H LEU A 82 13.361 7.486 7.128 1.00 0.00 H new ATOM 0 HA LEU A 82 14.563 5.591 9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.989 5.610 6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 82 15.172 4.503 6.804 1.00 0.00 H new ATOM 0 HG LEU A 82 12.361 4.747 7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.800 2.731 6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.215 4.102 5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.400 2.803 5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.898 2.488 8.842 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.495 2.562 8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.099 3.687 9.380 1.00 0.00 H new ATOM 1236 N PRO A 83 17.067 5.935 8.180 1.00 0.00 N ATOM 1237 CA PRO A 83 18.442 6.448 8.003 1.00 0.00 C ATOM 1238 C PRO A 83 18.741 6.697 6.523 1.00 0.00 C ATOM 1239 O PRO A 83 19.029 5.781 5.771 1.00 0.00 O ATOM 1240 CB PRO A 83 19.332 5.359 8.611 1.00 0.00 C ATOM 1241 CG PRO A 83 18.488 4.067 8.624 1.00 0.00 C ATOM 1242 CD PRO A 83 17.014 4.515 8.624 1.00 0.00 C ATOM 0 HA PRO A 83 18.607 7.410 8.487 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.239 5.225 8.022 1.00 0.00 H new ATOM 0 HB3 PRO A 83 19.644 5.630 9.620 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.707 3.450 7.752 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.712 3.465 9.505 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.413 3.908 7.947 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.569 4.423 9.615 1.00 0.00 H new ATOM 1250 N GLY A 84 18.674 7.950 6.123 1.00 0.00 N ATOM 1251 CA GLY A 84 18.948 8.339 4.704 1.00 0.00 C ATOM 1252 C GLY A 84 17.657 8.324 3.867 1.00 0.00 C ATOM 1253 O GLY A 84 17.722 8.380 2.650 1.00 0.00 O ATOM 0 H GLY A 84 18.436 8.731 6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.392 9.334 4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.675 7.653 4.269 1.00 0.00 H new ATOM 1257 N CYS A 85 16.490 8.262 4.498 1.00 0.00 N ATOM 1258 CA CYS A 85 15.195 8.255 3.724 1.00 0.00 C ATOM 1259 C CYS A 85 14.124 9.059 4.506 1.00 0.00 C ATOM 1260 O CYS A 85 13.434 8.492 5.331 1.00 0.00 O ATOM 1261 CB CYS A 85 14.686 6.813 3.532 1.00 0.00 C ATOM 1262 SG CYS A 85 16.060 5.686 3.201 1.00 0.00 S ATOM 0 H CYS A 85 16.384 8.216 5.511 1.00 0.00 H new ATOM 0 HA CYS A 85 15.373 8.706 2.748 1.00 0.00 H new ATOM 0 HB2 CYS A 85 14.151 6.489 4.425 1.00 0.00 H new ATOM 0 HB3 CYS A 85 13.976 6.780 2.706 1.00 0.00 H new ATOM 1267 N PRO A 86 14.005 10.357 4.250 1.00 0.00 N ATOM 1268 CA PRO A 86 13.016 11.203 4.960 1.00 0.00 C ATOM 1269 C PRO A 86 11.597 10.959 4.443 1.00 0.00 C ATOM 1270 O PRO A 86 11.411 10.484 3.336 1.00 0.00 O ATOM 1271 CB PRO A 86 13.446 12.635 4.632 1.00 0.00 C ATOM 1272 CG PRO A 86 14.305 12.554 3.350 1.00 0.00 C ATOM 1273 CD PRO A 86 14.807 11.100 3.242 1.00 0.00 C ATOM 0 HA PRO A 86 12.995 10.990 6.029 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.577 13.275 4.477 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.017 13.066 5.454 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.718 12.826 2.473 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.143 13.250 3.401 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.654 10.700 2.240 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.874 11.031 3.454 1.00 0.00 H new ATOM 1281 N ARG A 87 10.594 11.324 5.230 1.00 0.00 N ATOM 1282 CA ARG A 87 9.167 11.174 4.802 1.00 0.00 C ATOM 1283 C ARG A 87 8.986 11.769 3.406 1.00 0.00 C ATOM 1284 O ARG A 87 8.108 11.373 2.665 1.00 0.00 O ATOM 1285 CB ARG A 87 8.277 11.977 5.743 1.00 0.00 C ATOM 1286 CG ARG A 87 8.411 11.454 7.165 1.00 0.00 C ATOM 1287 CD ARG A 87 7.317 10.419 7.435 1.00 0.00 C ATOM 1288 NE ARG A 87 7.040 10.358 8.897 1.00 0.00 N ATOM 1289 CZ ARG A 87 6.405 11.338 9.480 1.00 0.00 C ATOM 1290 NH1 ARG A 87 5.229 11.702 9.047 1.00 0.00 N ATOM 1291 NH2 ARG A 87 6.945 11.953 10.497 1.00 0.00 N ATOM 0 H ARG A 87 10.716 11.723 6.161 1.00 0.00 H new ATOM 0 HA ARG A 87 8.906 10.116 4.813 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.554 13.031 5.707 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.238 11.910 5.419 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.394 11.005 7.307 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.331 12.277 7.875 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.409 10.684 6.893 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.630 9.440 7.072 1.00 0.00 H new ATOM 0 HE ARG A 87 7.346 9.552 9.442 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.806 11.221 8.253 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.732 12.468 9.502 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.864 11.668 10.836 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.448 12.719 10.952 1.00 0.00 H new ATOM 1305 N GLN A 88 9.800 12.749 3.083 1.00 0.00 N ATOM 1306 CA GLN A 88 9.702 13.446 1.755 1.00 0.00 C ATOM 1307 C GLN A 88 9.838 12.456 0.583 1.00 0.00 C ATOM 1308 O GLN A 88 8.950 12.353 -0.255 1.00 0.00 O ATOM 1309 CB GLN A 88 10.813 14.498 1.666 1.00 0.00 C ATOM 1310 CG GLN A 88 10.652 15.319 0.378 1.00 0.00 C ATOM 1311 CD GLN A 88 11.388 16.662 0.505 1.00 0.00 C ATOM 1312 OE1 GLN A 88 12.370 16.779 1.214 1.00 0.00 O ATOM 1313 NE2 GLN A 88 10.952 17.691 -0.171 1.00 0.00 N ATOM 0 H GLN A 88 10.539 13.101 3.692 1.00 0.00 H new ATOM 0 HA GLN A 88 8.721 13.915 1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.774 15.156 2.534 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.788 14.012 1.678 1.00 0.00 H new ATOM 0 HG2 GLN A 88 11.047 14.759 -0.470 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.594 15.494 0.180 1.00 0.00 H new ATOM 0 HE21 GLN A 88 10.129 17.598 -0.767 1.00 0.00 H new ATOM 0 HE22 GLN A 88 11.434 18.587 -0.103 1.00 0.00 H new ATOM 1322 N VAL A 89 10.951 11.755 0.506 1.00 0.00 N ATOM 1323 CA VAL A 89 11.197 10.794 -0.609 1.00 0.00 C ATOM 1324 C VAL A 89 10.140 9.698 -0.605 1.00 0.00 C ATOM 1325 O VAL A 89 9.653 9.292 -1.650 1.00 0.00 O ATOM 1326 CB VAL A 89 12.583 10.197 -0.399 1.00 0.00 C ATOM 1327 CG1 VAL A 89 12.932 9.237 -1.536 1.00 0.00 C ATOM 1328 CG2 VAL A 89 13.590 11.332 -0.360 1.00 0.00 C ATOM 0 H VAL A 89 11.709 11.815 1.185 1.00 0.00 H new ATOM 0 HA VAL A 89 11.142 11.301 -1.572 1.00 0.00 H new ATOM 0 HB VAL A 89 12.603 9.638 0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.925 8.821 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.201 8.429 -1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.919 9.775 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 89 14.590 10.926 -0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.558 11.879 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.346 12.007 0.460 1.00 0.00 H new ATOM 1338 N GLN A 90 9.781 9.233 0.565 1.00 0.00 N ATOM 1339 CA GLN A 90 8.746 8.163 0.676 1.00 0.00 C ATOM 1340 C GLN A 90 7.403 8.714 0.190 1.00 0.00 C ATOM 1341 O GLN A 90 6.557 7.967 -0.269 1.00 0.00 O ATOM 1342 CB GLN A 90 8.626 7.716 2.142 1.00 0.00 C ATOM 1343 CG GLN A 90 9.126 6.277 2.290 1.00 0.00 C ATOM 1344 CD GLN A 90 10.643 6.279 2.493 1.00 0.00 C ATOM 1345 OE1 GLN A 90 11.387 5.942 1.594 1.00 0.00 O ATOM 1346 NE2 GLN A 90 11.134 6.646 3.645 1.00 0.00 N ATOM 0 H GLN A 90 10.164 9.552 1.455 1.00 0.00 H new ATOM 0 HA GLN A 90 9.031 7.307 0.064 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.207 8.380 2.782 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.588 7.785 2.469 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.636 5.796 3.137 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.868 5.699 1.403 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.508 6.929 4.399 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.143 6.650 3.791 1.00 0.00 H new ATOM 1355 N ARG A 91 7.213 10.013 0.296 1.00 0.00 N ATOM 1356 CA ARG A 91 5.930 10.644 -0.153 1.00 0.00 C ATOM 1357 C ARG A 91 5.929 10.793 -1.679 1.00 0.00 C ATOM 1358 O ARG A 91 4.884 10.727 -2.308 1.00 0.00 O ATOM 1359 CB ARG A 91 5.771 12.018 0.517 1.00 0.00 C ATOM 1360 CG ARG A 91 4.390 12.114 1.176 1.00 0.00 C ATOM 1361 CD ARG A 91 4.328 11.155 2.369 1.00 0.00 C ATOM 1362 NE ARG A 91 2.935 11.092 2.891 1.00 0.00 N ATOM 1363 CZ ARG A 91 2.660 11.584 4.067 1.00 0.00 C ATOM 1364 NH1 ARG A 91 3.016 10.937 5.143 1.00 0.00 N ATOM 1365 NH2 ARG A 91 2.029 12.721 4.169 1.00 0.00 N ATOM 0 H ARG A 91 7.899 10.665 0.677 1.00 0.00 H new ATOM 0 HA ARG A 91 5.093 10.009 0.136 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.552 12.162 1.264 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.888 12.810 -0.223 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.203 13.136 1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.612 11.865 0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.658 10.161 2.067 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.006 11.491 3.154 1.00 0.00 H new ATOM 0 HE ARG A 91 2.198 10.665 2.330 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.509 10.047 5.064 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.801 11.321 6.063 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.750 13.227 3.328 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.815 13.104 5.090 1.00 0.00 H new ATOM 1379 N ALA A 92 7.091 10.998 -2.271 1.00 0.00 N ATOM 1380 CA ALA A 92 7.181 11.159 -3.757 1.00 0.00 C ATOM 1381 C ALA A 92 6.951 9.808 -4.443 1.00 0.00 C ATOM 1382 O ALA A 92 6.175 9.710 -5.379 1.00 0.00 O ATOM 1383 CB ALA A 92 8.570 11.684 -4.126 1.00 0.00 C ATOM 0 H ALA A 92 7.983 11.060 -1.780 1.00 0.00 H new ATOM 0 HA ALA A 92 6.419 11.864 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.639 11.802 -5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.734 12.648 -3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.328 10.976 -3.790 1.00 0.00 H new ATOM 1389 N PHE A 93 7.638 8.783 -3.989 1.00 0.00 N ATOM 1390 CA PHE A 93 7.500 7.418 -4.599 1.00 0.00 C ATOM 1391 C PHE A 93 6.218 6.719 -4.111 1.00 0.00 C ATOM 1392 O PHE A 93 5.730 5.819 -4.758 1.00 0.00 O ATOM 1393 CB PHE A 93 8.726 6.572 -4.217 1.00 0.00 C ATOM 1394 CG PHE A 93 8.575 5.165 -4.760 1.00 0.00 C ATOM 1395 CD1 PHE A 93 8.585 4.947 -6.141 1.00 0.00 C ATOM 1396 CD2 PHE A 93 8.411 4.088 -3.880 1.00 0.00 C ATOM 1397 CE1 PHE A 93 8.434 3.650 -6.645 1.00 0.00 C ATOM 1398 CE2 PHE A 93 8.260 2.791 -4.384 1.00 0.00 C ATOM 1399 CZ PHE A 93 8.272 2.572 -5.767 1.00 0.00 C ATOM 0 H PHE A 93 8.297 8.835 -3.212 1.00 0.00 H new ATOM 0 HA PHE A 93 7.437 7.524 -5.682 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.632 7.029 -4.615 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.834 6.542 -3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.709 5.779 -6.818 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.401 4.258 -2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 93 8.442 3.481 -7.712 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.134 1.959 -3.706 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.156 1.571 -6.156 1.00 0.00 H new ATOM 1409 N ALA A 94 5.729 7.086 -2.951 1.00 0.00 N ATOM 1410 CA ALA A 94 4.525 6.413 -2.348 1.00 0.00 C ATOM 1411 C ALA A 94 3.316 6.259 -3.309 1.00 0.00 C ATOM 1412 O ALA A 94 2.744 5.184 -3.351 1.00 0.00 O ATOM 1413 CB ALA A 94 4.077 7.199 -1.115 1.00 0.00 C ATOM 0 H ALA A 94 6.119 7.838 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 94 4.844 5.401 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.205 6.717 -0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.886 7.224 -0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.820 8.217 -1.406 1.00 0.00 H new ATOM 1419 N PRO A 95 2.909 7.317 -4.005 1.00 0.00 N ATOM 1420 CA PRO A 95 1.713 7.262 -4.891 1.00 0.00 C ATOM 1421 C PRO A 95 1.916 6.376 -6.133 1.00 0.00 C ATOM 1422 O PRO A 95 2.255 6.847 -7.207 1.00 0.00 O ATOM 1423 CB PRO A 95 1.454 8.729 -5.254 1.00 0.00 C ATOM 1424 CG PRO A 95 2.782 9.479 -5.016 1.00 0.00 C ATOM 1425 CD PRO A 95 3.584 8.640 -4.002 1.00 0.00 C ATOM 0 HA PRO A 95 0.862 6.798 -4.392 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.137 8.822 -6.293 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.657 9.146 -4.639 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.335 9.593 -5.948 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.597 10.481 -4.630 1.00 0.00 H new ATOM 0 HD2 PRO A 95 4.630 8.554 -4.296 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.568 9.092 -3.010 1.00 0.00 H new ATOM 1433 N LYS A 96 1.675 5.087 -5.973 1.00 0.00 N ATOM 1434 CA LYS A 96 1.801 4.103 -7.108 1.00 0.00 C ATOM 1435 C LYS A 96 1.399 2.693 -6.609 1.00 0.00 C ATOM 1436 O LYS A 96 2.167 1.746 -6.698 1.00 0.00 O ATOM 1437 CB LYS A 96 3.247 4.082 -7.670 1.00 0.00 C ATOM 1438 CG LYS A 96 4.301 4.421 -6.597 1.00 0.00 C ATOM 1439 CD LYS A 96 4.207 3.468 -5.395 1.00 0.00 C ATOM 1440 CE LYS A 96 4.958 2.171 -5.703 1.00 0.00 C ATOM 1441 NZ LYS A 96 5.448 1.573 -4.430 1.00 0.00 N ATOM 0 H LYS A 96 1.391 4.669 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 96 1.135 4.410 -7.914 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.458 3.096 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.325 4.796 -8.490 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.298 4.361 -7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.162 5.448 -6.260 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.629 3.942 -4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.162 3.250 -5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.301 1.470 -6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.796 2.372 -6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.456 0.536 -4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.412 1.912 -4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.819 1.853 -3.650 1.00 0.00 H new ATOM 1455 N LEU A 97 0.211 2.560 -6.050 1.00 0.00 N ATOM 1456 CA LEU A 97 -0.232 1.229 -5.500 1.00 0.00 C ATOM 1457 C LEU A 97 -0.877 0.350 -6.585 1.00 0.00 C ATOM 1458 O LEU A 97 -0.249 -0.562 -7.098 1.00 0.00 O ATOM 1459 CB LEU A 97 -1.224 1.450 -4.343 1.00 0.00 C ATOM 1460 CG LEU A 97 -1.712 0.098 -3.790 1.00 0.00 C ATOM 1461 CD1 LEU A 97 -0.595 -0.574 -2.988 1.00 0.00 C ATOM 1462 CD2 LEU A 97 -2.927 0.331 -2.895 1.00 0.00 C ATOM 0 H LEU A 97 -0.469 3.314 -5.951 1.00 0.00 H new ATOM 0 HA LEU A 97 0.651 0.706 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.745 2.024 -3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.074 2.036 -4.691 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.989 -0.554 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.949 -1.529 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.267 -0.741 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.306 0.069 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.277 -0.623 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.650 0.986 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.723 0.797 -3.476 1.00 0.00 H new ATOM 1474 N VAL A 98 -2.142 0.576 -6.884 1.00 0.00 N ATOM 1475 CA VAL A 98 -2.857 -0.280 -7.877 1.00 0.00 C ATOM 1476 C VAL A 98 -2.747 0.309 -9.289 1.00 0.00 C ATOM 1477 O VAL A 98 -3.583 0.040 -10.139 1.00 0.00 O ATOM 1478 CB VAL A 98 -4.334 -0.421 -7.470 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -4.434 -0.762 -5.988 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -5.101 0.885 -7.725 1.00 0.00 C ATOM 0 H VAL A 98 -2.706 1.322 -6.477 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.391 -1.265 -7.887 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.772 -1.218 -8.071 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.483 -0.860 -5.707 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.917 -1.702 -5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.974 0.032 -5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.142 0.759 -7.429 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.653 1.690 -7.142 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.053 1.134 -8.785 1.00 0.00 H new ATOM 1490 N THR A 99 -1.728 1.085 -9.544 1.00 0.00 N ATOM 1491 CA THR A 99 -1.555 1.660 -10.910 1.00 0.00 C ATOM 1492 C THR A 99 -0.644 0.737 -11.719 1.00 0.00 C ATOM 1493 O THR A 99 -0.035 -0.162 -11.162 1.00 0.00 O ATOM 1494 CB THR A 99 -0.943 3.062 -10.840 1.00 0.00 C ATOM 1495 OG1 THR A 99 0.420 2.984 -10.434 1.00 0.00 O ATOM 1496 CG2 THR A 99 -1.718 3.901 -9.836 1.00 0.00 C ATOM 0 H THR A 99 -1.010 1.345 -8.868 1.00 0.00 H new ATOM 0 HA THR A 99 -2.531 1.742 -11.389 1.00 0.00 H new ATOM 0 HB THR A 99 -0.995 3.521 -11.827 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.802 3.886 -10.394 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.284 4.900 -9.784 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.759 3.974 -10.149 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.667 3.432 -8.853 1.00 0.00 H new ATOM 1504 N GLU A 100 -0.541 0.937 -13.021 1.00 0.00 N ATOM 1505 CA GLU A 100 0.340 0.053 -13.846 1.00 0.00 C ATOM 1506 C GLU A 100 1.828 0.155 -13.414 1.00 0.00 C ATOM 1507 O GLU A 100 2.662 -0.507 -14.012 1.00 0.00 O ATOM 1508 CB GLU A 100 0.220 0.459 -15.318 1.00 0.00 C ATOM 1509 CG GLU A 100 -0.922 -0.322 -15.984 1.00 0.00 C ATOM 1510 CD GLU A 100 -0.407 -1.028 -17.242 1.00 0.00 C ATOM 1511 OE1 GLU A 100 0.580 -1.737 -17.137 1.00 0.00 O ATOM 1512 OE2 GLU A 100 -1.008 -0.847 -18.287 1.00 0.00 O ATOM 0 H GLU A 100 -1.027 1.670 -13.538 1.00 0.00 H new ATOM 0 HA GLU A 100 0.015 -0.977 -13.699 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.033 1.530 -15.395 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.158 0.261 -15.836 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.329 -1.054 -15.286 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.735 0.356 -16.244 1.00 0.00 H new ATOM 1519 N VAL A 101 2.192 0.967 -12.408 1.00 0.00 N ATOM 1520 CA VAL A 101 3.631 1.068 -12.005 1.00 0.00 C ATOM 1521 C VAL A 101 3.939 0.157 -10.803 1.00 0.00 C ATOM 1522 O VAL A 101 5.071 0.133 -10.341 1.00 0.00 O ATOM 1523 CB VAL A 101 3.948 2.521 -11.628 1.00 0.00 C ATOM 1524 CG1 VAL A 101 5.450 2.666 -11.368 1.00 0.00 C ATOM 1525 CG2 VAL A 101 3.540 3.450 -12.775 1.00 0.00 C ATOM 0 H VAL A 101 1.550 1.548 -11.869 1.00 0.00 H new ATOM 0 HA VAL A 101 4.246 0.748 -12.846 1.00 0.00 H new ATOM 0 HB VAL A 101 3.394 2.789 -10.728 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.675 3.698 -11.100 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.743 2.007 -10.551 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.003 2.396 -12.268 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.766 4.482 -12.505 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.092 3.181 -13.675 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.471 3.350 -12.962 1.00 0.00 H new ATOM 1535 N GLU A 102 2.963 -0.579 -10.283 1.00 0.00 N ATOM 1536 CA GLU A 102 3.243 -1.463 -9.099 1.00 0.00 C ATOM 1537 C GLU A 102 2.503 -2.815 -9.216 1.00 0.00 C ATOM 1538 O GLU A 102 3.070 -3.771 -9.721 1.00 0.00 O ATOM 1539 CB GLU A 102 2.841 -0.717 -7.824 1.00 0.00 C ATOM 1540 CG GLU A 102 3.200 -1.551 -6.590 1.00 0.00 C ATOM 1541 CD GLU A 102 4.718 -1.548 -6.378 1.00 0.00 C ATOM 1542 OE1 GLU A 102 5.320 -0.491 -6.509 1.00 0.00 O ATOM 1543 OE2 GLU A 102 5.256 -2.604 -6.082 1.00 0.00 O ATOM 0 H GLU A 102 2.003 -0.601 -10.626 1.00 0.00 H new ATOM 0 HA GLU A 102 4.308 -1.693 -9.064 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.349 0.246 -7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.770 -0.513 -7.835 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.701 -1.146 -5.710 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.844 -2.574 -6.716 1.00 0.00 H new ATOM 1550 N CYS A 103 1.263 -2.918 -8.745 1.00 0.00 N ATOM 1551 CA CYS A 103 0.521 -4.229 -8.827 1.00 0.00 C ATOM 1552 C CYS A 103 -0.984 -3.962 -9.108 1.00 0.00 C ATOM 1553 O CYS A 103 -1.854 -4.528 -8.456 1.00 0.00 O ATOM 1554 CB CYS A 103 0.673 -4.980 -7.490 1.00 0.00 C ATOM 1555 SG CYS A 103 2.425 -5.156 -7.066 1.00 0.00 S ATOM 0 H CYS A 103 0.743 -2.155 -8.313 1.00 0.00 H new ATOM 0 HA CYS A 103 0.933 -4.833 -9.635 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.153 -4.439 -6.700 1.00 0.00 H new ATOM 0 HB3 CYS A 103 0.208 -5.963 -7.562 1.00 0.00 H new ATOM 1560 N ASN A 104 -1.296 -3.077 -10.052 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.724 -2.727 -10.370 1.00 0.00 C ATOM 1562 C ASN A 104 -3.663 -3.940 -10.366 1.00 0.00 C ATOM 1563 O ASN A 104 -4.633 -3.940 -9.625 1.00 0.00 O ATOM 1564 CB ASN A 104 -2.800 -2.015 -11.732 1.00 0.00 C ATOM 1565 CG ASN A 104 -2.222 -2.896 -12.845 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -0.928 -2.979 -13.008 1.00 0.00 O flip ATOM 1567 ND2 ASN A 104 -2.962 -3.520 -13.577 1.00 0.00 N flip ATOM 0 H ASN A 104 -0.606 -2.582 -10.617 1.00 0.00 H new ATOM 0 HA ASN A 104 -3.065 -2.063 -9.575 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.837 -1.768 -11.960 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.251 -1.074 -11.686 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -3.973 -3.458 -13.453 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.573 -4.106 -14.316 1.00 0.00 H new ATOM 1574 N LEU A 105 -3.401 -4.958 -11.172 1.00 0.00 N ATOM 1575 CA LEU A 105 -4.307 -6.171 -11.212 1.00 0.00 C ATOM 1576 C LEU A 105 -5.808 -5.751 -11.208 1.00 0.00 C ATOM 1577 O LEU A 105 -6.663 -6.492 -10.747 1.00 0.00 O ATOM 1578 CB LEU A 105 -4.015 -7.044 -9.984 1.00 0.00 C ATOM 1579 CG LEU A 105 -2.602 -7.635 -10.090 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -1.923 -7.598 -8.718 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -2.685 -9.087 -10.573 1.00 0.00 C ATOM 0 H LEU A 105 -2.601 -5.001 -11.803 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.114 -6.726 -12.130 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.103 -6.450 -9.075 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.750 -7.846 -9.913 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.021 -7.046 -10.800 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.920 -8.018 -8.797 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.858 -6.566 -8.372 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.507 -8.183 -8.007 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.681 -9.504 -10.647 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.270 -9.673 -9.864 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.164 -9.118 -11.552 1.00 0.00 H new ATOM 1593 N ALA A 106 -6.120 -4.563 -11.714 1.00 0.00 N ATOM 1594 CA ALA A 106 -7.537 -4.066 -11.742 1.00 0.00 C ATOM 1595 C ALA A 106 -8.057 -3.899 -10.310 1.00 0.00 C ATOM 1596 O ALA A 106 -7.589 -4.554 -9.392 1.00 0.00 O ATOM 1597 CB ALA A 106 -8.421 -5.061 -12.500 1.00 0.00 C ATOM 0 H ALA A 106 -5.439 -3.916 -12.111 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.567 -3.102 -12.249 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -9.448 -4.696 -12.517 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.056 -5.167 -13.522 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.389 -6.030 -12.001 1.00 0.00 H new ATOM 1603 N THR A 107 -9.014 -3.013 -10.123 1.00 0.00 N ATOM 1604 CA THR A 107 -9.587 -2.756 -8.757 1.00 0.00 C ATOM 1605 C THR A 107 -11.111 -2.979 -8.820 1.00 0.00 C ATOM 1606 O THR A 107 -11.605 -3.601 -9.746 1.00 0.00 O ATOM 1607 CB THR A 107 -9.277 -1.291 -8.330 1.00 0.00 C ATOM 1608 OG1 THR A 107 -10.213 -0.390 -8.915 1.00 0.00 O ATOM 1609 CG2 THR A 107 -7.884 -0.882 -8.805 1.00 0.00 C ATOM 0 H THR A 107 -9.426 -2.451 -10.868 1.00 0.00 H new ATOM 0 HA THR A 107 -9.145 -3.433 -8.026 1.00 0.00 H new ATOM 0 HB THR A 107 -9.338 -1.247 -7.243 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.800 0.493 -9.012 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.682 0.144 -8.499 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.140 -1.545 -8.364 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.835 -0.953 -9.892 1.00 0.00 H new ATOM 1617 N ILE A 108 -11.848 -2.451 -7.858 1.00 0.00 N ATOM 1618 CA ILE A 108 -13.339 -2.587 -7.872 1.00 0.00 C ATOM 1619 C ILE A 108 -13.871 -1.782 -9.067 1.00 0.00 C ATOM 1620 O ILE A 108 -14.853 -2.146 -9.693 1.00 0.00 O ATOM 1621 CB ILE A 108 -13.923 -2.040 -6.555 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -15.451 -2.176 -6.566 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -13.553 -0.562 -6.381 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -15.841 -3.619 -6.245 1.00 0.00 C ATOM 0 H ILE A 108 -11.473 -1.931 -7.064 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.631 -3.633 -7.965 1.00 0.00 H new ATOM 0 HB ILE A 108 -13.507 -2.615 -5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -15.892 -1.499 -5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -15.844 -1.891 -7.542 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -13.972 -0.190 -5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.468 -0.459 -6.359 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -13.955 0.014 -7.214 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.927 -3.713 -6.253 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.413 -4.287 -6.993 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.461 -3.888 -5.259 1.00 0.00 H new ATOM 1636 N HIS A 109 -13.205 -0.686 -9.371 1.00 0.00 N ATOM 1637 CA HIS A 109 -13.601 0.204 -10.507 1.00 0.00 C ATOM 1638 C HIS A 109 -13.319 -0.451 -11.878 1.00 0.00 C ATOM 1639 O HIS A 109 -13.600 0.150 -12.903 1.00 0.00 O ATOM 1640 CB HIS A 109 -12.790 1.497 -10.403 1.00 0.00 C ATOM 1641 CG HIS A 109 -13.014 2.139 -9.064 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -12.390 1.968 -7.855 1.00 0.00 N flip ATOM 1643 CD2 HIS A 109 -13.975 3.116 -8.861 1.00 0.00 C flip ATOM 1644 CE1 HIS A 109 -12.952 2.823 -6.913 1.00 0.00 C flip ATOM 1645 NE2 HIS A 109 -13.902 3.493 -7.572 1.00 0.00 N flip ATOM 0 H HIS A 109 -12.381 -0.367 -8.861 1.00 0.00 H new ATOM 0 HA HIS A 109 -14.672 0.394 -10.441 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -11.730 1.283 -10.540 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -13.082 2.184 -11.198 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -14.658 3.504 -9.602 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -12.679 2.924 -5.873 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -14.499 4.204 -7.149 1.00 0.00 H new ATOM 1653 N GLY A 110 -12.772 -1.660 -11.916 1.00 0.00 N ATOM 1654 CA GLY A 110 -12.479 -2.333 -13.225 1.00 0.00 C ATOM 1655 C GLY A 110 -11.576 -1.440 -14.083 1.00 0.00 C ATOM 1656 O GLY A 110 -11.800 -1.290 -15.273 1.00 0.00 O ATOM 0 H GLY A 110 -12.519 -2.203 -11.090 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.994 -3.293 -13.049 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.410 -2.538 -13.754 1.00 0.00 H new ATOM 1660 N GLY A 111 -10.565 -0.849 -13.480 1.00 0.00 N ATOM 1661 CA GLY A 111 -9.627 0.047 -14.235 1.00 0.00 C ATOM 1662 C GLY A 111 -8.444 0.445 -13.332 1.00 0.00 C ATOM 1663 O GLY A 111 -8.472 0.170 -12.146 1.00 0.00 O ATOM 0 H GLY A 111 -10.350 -0.951 -12.488 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.261 -0.463 -15.126 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.155 0.939 -14.573 1.00 0.00 H new ATOM 1667 N PRO A 112 -7.430 1.079 -13.916 1.00 0.00 N ATOM 1668 CA PRO A 112 -6.232 1.516 -13.166 1.00 0.00 C ATOM 1669 C PRO A 112 -6.513 2.793 -12.344 1.00 0.00 C ATOM 1670 O PRO A 112 -6.101 3.885 -12.711 1.00 0.00 O ATOM 1671 CB PRO A 112 -5.188 1.775 -14.267 1.00 0.00 C ATOM 1672 CG PRO A 112 -5.972 2.001 -15.578 1.00 0.00 C ATOM 1673 CD PRO A 112 -7.378 1.412 -15.364 1.00 0.00 C ATOM 0 HA PRO A 112 -5.901 0.777 -12.437 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -4.579 2.646 -14.025 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -4.509 0.928 -14.363 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -6.030 3.063 -15.815 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -5.473 1.514 -16.416 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -8.153 2.129 -15.634 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -7.535 0.527 -15.980 1.00 0.00 H new ATOM 1681 N PHE A 113 -7.193 2.648 -11.220 1.00 0.00 N ATOM 1682 CA PHE A 113 -7.492 3.823 -10.328 1.00 0.00 C ATOM 1683 C PHE A 113 -8.426 3.388 -9.189 1.00 0.00 C ATOM 1684 O PHE A 113 -9.218 2.473 -9.357 1.00 0.00 O ATOM 1685 CB PHE A 113 -8.154 4.965 -11.116 1.00 0.00 C ATOM 1686 CG PHE A 113 -9.346 4.471 -11.911 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -10.626 4.474 -11.338 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -9.176 4.043 -13.233 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -11.731 4.045 -12.089 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -10.281 3.621 -13.985 1.00 0.00 C ATOM 1691 CZ PHE A 113 -11.557 3.621 -13.414 1.00 0.00 C ATOM 0 H PHE A 113 -7.556 1.757 -10.882 1.00 0.00 H new ATOM 0 HA PHE A 113 -6.548 4.184 -9.919 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.473 5.747 -10.427 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -7.425 5.413 -11.791 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -10.761 4.806 -10.319 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.190 4.038 -13.675 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -12.716 4.041 -11.646 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -10.147 3.296 -15.006 1.00 0.00 H new ATOM 0 HZ PHE A 113 -12.408 3.295 -13.993 1.00 0.00 H new ATOM 1701 N CYS A 114 -8.342 4.037 -8.032 1.00 0.00 N ATOM 1702 CA CYS A 114 -9.228 3.666 -6.880 1.00 0.00 C ATOM 1703 C CYS A 114 -9.601 4.930 -6.064 1.00 0.00 C ATOM 1704 O CYS A 114 -8.945 5.267 -5.088 1.00 0.00 O ATOM 1705 CB CYS A 114 -8.507 2.643 -5.988 1.00 0.00 C ATOM 1706 SG CYS A 114 -6.898 3.289 -5.462 1.00 0.00 S ATOM 0 H CYS A 114 -7.696 4.804 -7.847 1.00 0.00 H new ATOM 0 HA CYS A 114 -10.147 3.220 -7.260 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -9.119 2.417 -5.115 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -8.371 1.708 -6.532 1.00 0.00 H new ATOM 1711 N LEU A 115 -10.656 5.629 -6.458 1.00 0.00 N ATOM 1712 CA LEU A 115 -11.081 6.862 -5.719 1.00 0.00 C ATOM 1713 C LEU A 115 -12.584 7.087 -5.916 1.00 0.00 C ATOM 1714 O LEU A 115 -13.265 6.267 -6.509 1.00 0.00 O ATOM 1715 CB LEU A 115 -10.298 8.076 -6.243 1.00 0.00 C ATOM 1716 CG LEU A 115 -10.332 8.104 -7.783 1.00 0.00 C ATOM 1717 CD1 LEU A 115 -10.790 9.482 -8.267 1.00 0.00 C ATOM 1718 CD2 LEU A 115 -8.931 7.815 -8.337 1.00 0.00 C ATOM 0 H LEU A 115 -11.237 5.391 -7.262 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.874 6.736 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.728 8.995 -5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.266 8.031 -5.895 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.029 7.344 -8.136 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.812 9.496 -9.357 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -11.788 9.690 -7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -10.096 10.243 -7.908 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.959 7.836 -9.426 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.234 8.572 -7.978 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.603 6.831 -8.001 1.00 0.00 H new ATOM 1730 N SER A 116 -13.100 8.196 -5.416 1.00 0.00 N ATOM 1731 CA SER A 116 -14.565 8.504 -5.555 1.00 0.00 C ATOM 1732 C SER A 116 -14.960 8.462 -7.033 1.00 0.00 C ATOM 1733 O SER A 116 -15.862 7.740 -7.412 1.00 0.00 O ATOM 1734 CB SER A 116 -14.851 9.894 -4.990 1.00 0.00 C ATOM 1735 OG SER A 116 -14.582 9.900 -3.594 1.00 0.00 O ATOM 0 H SER A 116 -12.562 8.903 -4.915 1.00 0.00 H new ATOM 0 HA SER A 116 -15.144 7.763 -5.004 1.00 0.00 H new ATOM 0 HB2 SER A 116 -14.234 10.638 -5.494 1.00 0.00 H new ATOM 0 HB3 SER A 116 -15.891 10.166 -5.173 1.00 0.00 H new ATOM 0 HG SER A 116 -14.763 10.792 -3.230 1.00 0.00 H new ATOM 1741 N LEU A 117 -14.266 9.230 -7.856 1.00 0.00 N ATOM 1742 CA LEU A 117 -14.530 9.280 -9.342 1.00 0.00 C ATOM 1743 C LEU A 117 -15.718 10.204 -9.652 1.00 0.00 C ATOM 1744 O LEU A 117 -15.539 11.250 -10.245 1.00 0.00 O ATOM 1745 CB LEU A 117 -14.796 7.868 -9.903 1.00 0.00 C ATOM 1746 CG LEU A 117 -13.861 7.586 -11.086 1.00 0.00 C ATOM 1747 CD1 LEU A 117 -12.637 6.805 -10.597 1.00 0.00 C ATOM 1748 CD2 LEU A 117 -14.605 6.767 -12.154 1.00 0.00 C ATOM 0 H LEU A 117 -13.508 9.840 -7.550 1.00 0.00 H new ATOM 0 HA LEU A 117 -13.639 9.681 -9.826 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -14.642 7.123 -9.122 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -15.835 7.785 -10.223 1.00 0.00 H new ATOM 0 HG LEU A 117 -13.537 8.531 -11.522 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -11.973 6.605 -11.438 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -12.106 7.392 -9.848 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -12.959 5.861 -10.157 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -13.937 6.569 -12.992 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -14.936 5.822 -11.723 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -15.471 7.328 -12.505 1.00 0.00 H new ATOM 1760 N LEU A 118 -16.921 9.805 -9.274 1.00 0.00 N ATOM 1761 CA LEU A 118 -18.166 10.622 -9.534 1.00 0.00 C ATOM 1762 C LEU A 118 -18.621 10.592 -11.012 1.00 0.00 C ATOM 1763 O LEU A 118 -19.764 10.919 -11.294 1.00 0.00 O ATOM 1764 CB LEU A 118 -17.987 12.081 -9.085 1.00 0.00 C ATOM 1765 CG LEU A 118 -18.246 12.199 -7.580 1.00 0.00 C ATOM 1766 CD1 LEU A 118 -16.917 12.176 -6.822 1.00 0.00 C ATOM 1767 CD2 LEU A 118 -18.973 13.515 -7.290 1.00 0.00 C ATOM 0 H LEU A 118 -17.095 8.927 -8.785 1.00 0.00 H new ATOM 0 HA LEU A 118 -18.948 10.150 -8.939 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -16.978 12.421 -9.317 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -18.674 12.726 -9.633 1.00 0.00 H new ATOM 0 HG LEU A 118 -18.861 11.360 -7.254 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -17.107 12.260 -5.752 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -16.398 11.239 -7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -16.298 13.012 -7.148 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -19.158 13.600 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -18.357 14.351 -7.619 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -19.923 13.531 -7.825 1.00 0.00 H new ATOM 1779 N GLY A 119 -17.770 10.208 -11.945 1.00 0.00 N ATOM 1780 CA GLY A 119 -18.176 10.161 -13.387 1.00 0.00 C ATOM 1781 C GLY A 119 -18.535 8.724 -13.770 1.00 0.00 C ATOM 1782 O GLY A 119 -18.364 8.321 -14.910 1.00 0.00 O ATOM 0 H GLY A 119 -16.807 9.924 -11.763 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -19.029 10.818 -13.557 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -17.364 10.524 -14.016 1.00 0.00 H new ATOM 1786 N ALA A 120 -19.027 7.955 -12.820 1.00 0.00 N ATOM 1787 CA ALA A 120 -19.404 6.533 -13.093 1.00 0.00 C ATOM 1788 C ALA A 120 -20.936 6.419 -13.170 1.00 0.00 C ATOM 1789 O ALA A 120 -21.550 5.542 -12.574 1.00 0.00 O ATOM 1790 CB ALA A 120 -18.844 5.647 -11.974 1.00 0.00 C ATOM 0 H ALA A 120 -19.183 8.260 -11.859 1.00 0.00 H new ATOM 0 HA ALA A 120 -18.986 6.204 -14.044 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -19.113 4.608 -12.163 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -17.758 5.741 -11.944 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -19.262 5.961 -11.018 1.00 0.00 H new ATOM 1796 N GLY A 121 -21.548 7.310 -13.917 1.00 0.00 N ATOM 1797 CA GLY A 121 -23.039 7.301 -14.076 1.00 0.00 C ATOM 1798 C GLY A 121 -23.454 6.375 -15.229 1.00 0.00 C ATOM 1799 O GLY A 121 -24.605 6.379 -15.636 1.00 0.00 O ATOM 0 H GLY A 121 -21.071 8.052 -14.429 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -23.507 6.969 -13.149 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -23.396 8.313 -14.269 1.00 0.00 H new ATOM 1803 N GLU A 122 -22.534 5.582 -15.753 1.00 0.00 N ATOM 1804 CA GLU A 122 -22.871 4.652 -16.877 1.00 0.00 C ATOM 1805 C GLU A 122 -23.400 5.470 -18.075 1.00 0.00 C ATOM 1806 O GLU A 122 -24.576 5.363 -18.400 1.00 0.00 O ATOM 1807 CB GLU A 122 -23.918 3.639 -16.390 1.00 0.00 C ATOM 1808 CG GLU A 122 -23.342 2.816 -15.237 1.00 0.00 C ATOM 1809 CD GLU A 122 -24.484 2.145 -14.470 1.00 0.00 C ATOM 1810 OE1 GLU A 122 -25.213 2.852 -13.793 1.00 0.00 O ATOM 1811 OE2 GLU A 122 -24.612 0.935 -14.574 1.00 0.00 O ATOM 1812 OXT GLU A 122 -22.609 6.203 -18.647 1.00 0.00 O ATOM 0 H GLU A 122 -21.563 5.545 -15.444 1.00 0.00 H new ATOM 0 HA GLU A 122 -21.984 4.107 -17.201 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -24.818 4.160 -16.063 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -24.210 2.981 -17.209 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -22.655 2.062 -15.622 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -22.768 3.458 -14.569 1.00 0.00 H new TER 1819 GLU A 122