USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1376 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 106 GLN : amide:sc= -4.55! C(o=-5.8!,f=-7.9!) USER MOD Set 1.2: A 108 TYR OH : rot 64:sc= -1.23! USER MOD Set 2.1: A 69 TYR OH : rot 180:sc= 0.767 USER MOD Set 2.2: A 70 GLN :FLIP amide:sc= 0.869 F(o=0.6,f=1.6) USER MOD Single : A 1 SER N :NH3+ -125:sc= 0.129 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -164:sc= -0.0318 (180deg=-0.516) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 143:sc= -4.72! (180deg=-7.46!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.445 USER MOD Single : A 14 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.81) USER MOD Single : A 16 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.24) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 127:sc= -1.82! USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot -158:sc= 0.316 USER MOD Single : A 31 SER OG : rot -40:sc= 0.0571 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 1:sc= 0.485! USER MOD Single : A 36 CYS SG : rot 41:sc= -2.93! USER MOD Single : A 37 ASN :FLIP amide:sc= -0.248 F(o=-3.3!,f=-0.25) USER MOD Single : A 38 SER OG : rot -160:sc= -0.614 USER MOD Single : A 45 THR OG1 : rot 93:sc= 0.0425 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -1.11 F(o=-2.9!,f=-1.1) USER MOD Single : A 55 SER OG : rot 180:sc= -0.219 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -1.77 F(o=-3.5,f=-1.8) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 165:sc= 0 USER MOD Single : A 63 GLN : amide:sc=-0.00197 X(o=-0.002,f=-0.37) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0459 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.65! C(o=-2.6!,f=-2.4!) USER MOD Single : A 81 SER OG : rot -92:sc= -0.209 USER MOD Single : A 82 CYS SG : rot 37:sc= 0.0395 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.1) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -1.27 K(o=-1.3,f=-1.8) USER MOD Single : A 100 LYS NZ :NH3+ -158:sc= -0.0474 (180deg=-0.375) USER MOD Single : A 104 ASN : amide:sc= -0.518 K(o=-0.52,f=-3.8!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.067 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot 90:sc= -0.0695 USER MOD Single : A 116 SER OG : rot 180:sc=-0.00426 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.165 K(o=-0.17,f=-0.69) USER MOD Single : A 122 HIS : no HD1:sc= -1.87! C(o=-1.9!,f=-3.7!) USER MOD Single : A 127 HIS : no HD1:sc= -0.16 K(o=-0.16,f=-0.75) USER MOD Single : A 128 SER OG : rot -108:sc= 0.335 USER MOD Single : A 129 CYS SG : rot 56:sc= -1.85! USER MOD Single : A 130 LYS NZ :NH3+ 179:sc= -3.32! (180deg=-3.44!) USER MOD Single : A 135 THR OG1 : rot 44:sc= 0.173 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -0.576 X(o=-0.58,f=-0.12) USER MOD Single : A 144 TYR OH : rot 180:sc= -0.0218 USER MOD Single : A 148 GLN :FLIP amide:sc= -0.836 F(o=-1.6!,f=-0.84) USER MOD Single : A 149 TYR OH : rot 180:sc= -0.374 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ -162:sc= -0.0432 (180deg=-0.569) USER MOD Single : A 156 TYR OH : rot -126:sc= -1.4 USER MOD Single : A 158 LYS NZ :NH3+ 160:sc= -0.0864 (180deg=-0.673) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -0.114 K(o=-0.11,f=-2.2!) USER MOD Single : A 171 SER OG : rot -130:sc= -0.999 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.673 -17.051 -20.037 1.00 4.50 N ATOM 2 CA SER A 1 -14.824 -16.226 -19.573 1.00 4.52 C ATOM 3 C SER A 1 -14.316 -14.865 -19.093 1.00 3.57 C ATOM 4 O SER A 1 -13.133 -14.586 -19.123 1.00 3.03 O ATOM 5 CB SER A 1 -15.531 -16.943 -18.423 1.00 4.81 C ATOM 6 OG SER A 1 -14.717 -16.876 -17.258 1.00 5.28 O ATOM 0 H1 SER A 1 -13.845 -17.369 -21.012 1.00 4.50 H new ATOM 0 H2 SER A 1 -12.803 -16.482 -20.006 1.00 4.50 H new ATOM 0 H3 SER A 1 -13.567 -17.879 -19.417 1.00 4.50 H new ATOM 0 HA SER A 1 -15.524 -16.081 -20.396 1.00 4.52 H new ATOM 0 HB2 SER A 1 -16.499 -16.481 -18.231 1.00 4.81 H new ATOM 0 HB3 SER A 1 -15.721 -17.983 -18.689 1.00 4.81 H new ATOM 0 HG SER A 1 -15.167 -17.333 -16.517 1.00 5.28 H new ATOM 14 N LYS A 2 -15.201 -14.015 -18.649 1.00 3.60 N ATOM 15 CA LYS A 2 -14.768 -12.673 -18.167 1.00 3.08 C ATOM 16 C LYS A 2 -14.037 -12.828 -16.834 1.00 2.11 C ATOM 17 O LYS A 2 -14.480 -12.341 -15.812 1.00 2.12 O ATOM 18 CB LYS A 2 -15.998 -11.774 -17.984 1.00 3.28 C ATOM 19 CG LYS A 2 -16.784 -11.673 -19.303 1.00 3.95 C ATOM 20 CD LYS A 2 -16.131 -10.645 -20.234 1.00 4.66 C ATOM 21 CE LYS A 2 -17.025 -10.426 -21.456 1.00 5.66 C ATOM 22 NZ LYS A 2 -17.257 -11.729 -22.140 1.00 5.96 N ATOM 0 H LYS A 2 -16.204 -14.192 -18.599 1.00 3.60 H new ATOM 0 HA LYS A 2 -14.098 -12.219 -18.897 1.00 3.08 H new ATOM 0 HB2 LYS A 2 -16.639 -12.178 -17.200 1.00 3.28 H new ATOM 0 HB3 LYS A 2 -15.687 -10.781 -17.661 1.00 3.28 H new ATOM 0 HG2 LYS A 2 -16.816 -12.647 -19.791 1.00 3.95 H new ATOM 0 HG3 LYS A 2 -17.815 -11.385 -19.099 1.00 3.95 H new ATOM 0 HD2 LYS A 2 -15.981 -9.703 -19.706 1.00 4.66 H new ATOM 0 HD3 LYS A 2 -15.147 -10.995 -20.547 1.00 4.66 H new ATOM 0 HE2 LYS A 2 -17.976 -9.989 -21.151 1.00 5.66 H new ATOM 0 HE3 LYS A 2 -16.555 -9.721 -22.142 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 -17.624 -11.558 -23.098 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 -16.361 -12.253 -22.201 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 -17.948 -12.287 -21.599 1.00 5.96 H new ATOM 36 N THR A 3 -12.904 -13.473 -16.840 1.00 1.72 N ATOM 37 CA THR A 3 -12.133 -13.621 -15.572 1.00 1.18 C ATOM 38 C THR A 3 -11.346 -12.330 -15.333 1.00 1.02 C ATOM 39 O THR A 3 -10.845 -11.728 -16.262 1.00 1.63 O ATOM 40 CB THR A 3 -11.121 -14.763 -15.689 1.00 1.48 C ATOM 41 OG1 THR A 3 -10.373 -14.854 -14.484 1.00 2.13 O ATOM 42 CG2 THR A 3 -10.175 -14.492 -16.859 1.00 2.22 C ATOM 0 H THR A 3 -12.480 -13.902 -17.662 1.00 1.72 H new ATOM 0 HA THR A 3 -12.828 -13.828 -14.758 1.00 1.18 H new ATOM 0 HB THR A 3 -11.649 -15.701 -15.863 1.00 1.48 H new ATOM 0 HG1 THR A 3 -9.725 -15.586 -14.556 1.00 2.13 H new ATOM 0 HG21 THR A 3 -9.455 -15.306 -16.941 1.00 2.22 H new ATOM 0 HG22 THR A 3 -10.750 -14.421 -17.783 1.00 2.22 H new ATOM 0 HG23 THR A 3 -9.645 -13.555 -16.689 1.00 2.22 H new ATOM 50 N GLY A 4 -11.223 -11.893 -14.110 1.00 0.52 N ATOM 51 CA GLY A 4 -10.453 -10.635 -13.883 1.00 0.30 C ATOM 52 C GLY A 4 -10.423 -10.239 -12.406 1.00 0.41 C ATOM 53 O GLY A 4 -10.996 -10.885 -11.552 1.00 0.81 O ATOM 0 H GLY A 4 -11.610 -12.337 -13.277 1.00 0.52 H new ATOM 0 HA2 GLY A 4 -9.433 -10.764 -14.244 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -10.897 -9.828 -14.466 1.00 0.30 H new ATOM 57 N GLY A 5 -9.749 -9.156 -12.124 1.00 0.01 N ATOM 58 CA GLY A 5 -9.646 -8.656 -10.724 1.00 0.01 C ATOM 59 C GLY A 5 -10.932 -7.918 -10.349 1.00 0.01 C ATOM 60 O GLY A 5 -11.653 -7.438 -11.200 1.00 0.01 O ATOM 0 H GLY A 5 -9.259 -8.589 -12.816 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -9.480 -9.489 -10.041 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -8.790 -7.988 -10.627 1.00 0.01 H new ATOM 64 N LYS A 6 -11.223 -7.820 -9.078 1.00 0.00 N ATOM 65 CA LYS A 6 -12.462 -7.108 -8.640 1.00 0.01 C ATOM 66 C LYS A 6 -12.223 -6.393 -7.308 1.00 0.01 C ATOM 67 O LYS A 6 -11.650 -6.937 -6.384 1.00 0.00 O ATOM 68 CB LYS A 6 -13.613 -8.106 -8.486 1.00 0.02 C ATOM 69 CG LYS A 6 -14.887 -7.357 -8.073 1.00 0.02 C ATOM 70 CD LYS A 6 -16.097 -8.305 -8.112 1.00 0.02 C ATOM 71 CE LYS A 6 -16.134 -9.167 -6.845 1.00 0.02 C ATOM 72 NZ LYS A 6 -16.166 -8.285 -5.643 1.00 0.02 N ATOM 0 H LYS A 6 -10.655 -8.203 -8.322 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.723 -6.369 -9.398 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.778 -8.635 -9.424 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -13.360 -8.856 -7.737 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -14.768 -6.948 -7.069 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -15.055 -6.514 -8.743 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -17.018 -7.728 -8.195 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -16.040 -8.943 -8.994 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -17.011 -9.814 -6.858 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -15.260 -9.817 -6.809 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -16.777 -8.710 -4.917 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -15.203 -8.178 -5.265 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -16.540 -7.351 -5.907 1.00 0.02 H new ATOM 86 N ILE A 7 -12.679 -5.168 -7.217 1.00 0.02 N ATOM 87 CA ILE A 7 -12.525 -4.368 -5.961 1.00 0.00 C ATOM 88 C ILE A 7 -13.896 -3.794 -5.594 1.00 0.02 C ATOM 89 O ILE A 7 -14.636 -3.350 -6.453 1.00 0.01 O ATOM 90 CB ILE A 7 -11.495 -3.254 -6.184 1.00 0.02 C ATOM 91 CG1 ILE A 7 -11.422 -2.360 -4.945 1.00 0.02 C ATOM 92 CG2 ILE A 7 -11.893 -2.411 -7.388 1.00 0.01 C ATOM 93 CD1 ILE A 7 -10.218 -1.422 -5.070 1.00 0.02 C ATOM 0 H ILE A 7 -13.160 -4.680 -7.973 1.00 0.02 H new ATOM 0 HA ILE A 7 -12.166 -4.991 -5.142 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.520 -3.707 -6.365 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -12.340 -1.781 -4.845 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -11.331 -2.970 -4.047 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -11.156 -1.622 -7.539 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -11.936 -3.042 -8.276 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -12.872 -1.964 -7.212 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -10.162 -0.783 -4.189 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -9.304 -2.011 -5.150 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -10.330 -0.804 -5.961 1.00 0.02 H new ATOM 105 N SER A 8 -14.244 -3.798 -4.328 1.00 0.02 N ATOM 106 CA SER A 8 -15.576 -3.253 -3.894 1.00 0.02 C ATOM 107 C SER A 8 -15.382 -2.101 -2.903 1.00 0.01 C ATOM 108 O SER A 8 -14.681 -2.224 -1.921 1.00 0.02 O ATOM 109 CB SER A 8 -16.402 -4.354 -3.225 1.00 0.30 C ATOM 110 OG SER A 8 -16.260 -5.560 -3.964 1.00 0.39 O ATOM 0 H SER A 8 -13.661 -4.157 -3.572 1.00 0.02 H new ATOM 0 HA SER A 8 -16.101 -2.887 -4.776 1.00 0.02 H new ATOM 0 HB2 SER A 8 -16.069 -4.502 -2.198 1.00 0.30 H new ATOM 0 HB3 SER A 8 -17.451 -4.062 -3.181 1.00 0.30 H new ATOM 0 HG SER A 8 -16.786 -6.269 -3.538 1.00 0.39 H new ATOM 116 N PHE A 9 -16.025 -0.984 -3.157 1.00 0.02 N ATOM 117 CA PHE A 9 -15.926 0.198 -2.242 1.00 0.01 C ATOM 118 C PHE A 9 -17.277 0.399 -1.544 1.00 0.01 C ATOM 119 O PHE A 9 -18.316 0.233 -2.150 1.00 0.02 O ATOM 120 CB PHE A 9 -15.595 1.457 -3.059 1.00 0.02 C ATOM 121 CG PHE A 9 -14.592 1.131 -4.138 1.00 0.01 C ATOM 122 CD1 PHE A 9 -15.021 0.548 -5.336 1.00 0.01 C ATOM 123 CD2 PHE A 9 -13.236 1.423 -3.946 1.00 0.01 C ATOM 124 CE1 PHE A 9 -14.094 0.257 -6.343 1.00 0.02 C ATOM 125 CE2 PHE A 9 -12.308 1.134 -4.953 1.00 0.02 C ATOM 126 CZ PHE A 9 -12.737 0.550 -6.151 1.00 0.02 C ATOM 0 H PHE A 9 -16.622 -0.841 -3.971 1.00 0.02 H new ATOM 0 HA PHE A 9 -15.142 0.025 -1.505 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -16.504 1.858 -3.507 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -15.195 2.230 -2.403 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -16.067 0.323 -5.483 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -12.906 1.871 -3.020 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -14.424 -0.193 -7.268 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -11.262 1.361 -4.806 1.00 0.02 H new ATOM 0 HZ PHE A 9 -12.021 0.325 -6.928 1.00 0.02 H new ATOM 136 N TYR A 10 -17.274 0.749 -0.276 1.00 0.02 N ATOM 137 CA TYR A 10 -18.566 0.958 0.463 1.00 0.01 C ATOM 138 C TYR A 10 -18.602 2.378 1.034 1.00 0.02 C ATOM 139 O TYR A 10 -17.610 2.892 1.511 1.00 0.01 O ATOM 140 CB TYR A 10 -18.664 -0.052 1.607 1.00 0.02 C ATOM 141 CG TYR A 10 -18.267 -1.424 1.108 1.00 0.02 C ATOM 142 CD1 TYR A 10 -16.920 -1.717 0.854 1.00 0.02 C ATOM 143 CD2 TYR A 10 -19.244 -2.407 0.905 1.00 0.00 C ATOM 144 CE1 TYR A 10 -16.553 -2.989 0.399 1.00 0.02 C ATOM 145 CE2 TYR A 10 -18.876 -3.679 0.449 1.00 0.02 C ATOM 146 CZ TYR A 10 -17.530 -3.969 0.195 1.00 0.00 C ATOM 147 OH TYR A 10 -17.167 -5.223 -0.254 1.00 0.02 O ATOM 0 H TYR A 10 -16.432 0.899 0.280 1.00 0.02 H new ATOM 0 HA TYR A 10 -19.404 0.819 -0.220 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -18.014 0.249 2.428 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -19.681 -0.076 1.998 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -16.165 -0.961 1.009 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -20.282 -2.184 1.100 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -15.515 -3.214 0.205 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -19.630 -4.436 0.293 1.00 0.02 H new ATOM 0 HH TYR A 10 -17.966 -5.783 -0.341 1.00 0.02 H new ATOM 157 N GLU A 11 -19.731 3.034 0.953 1.00 0.00 N ATOM 158 CA GLU A 11 -19.815 4.436 1.452 1.00 0.02 C ATOM 159 C GLU A 11 -19.700 4.499 2.975 1.00 0.03 C ATOM 160 O GLU A 11 -19.258 5.498 3.510 1.00 0.03 O ATOM 161 CB GLU A 11 -21.152 5.046 1.029 1.00 0.00 C ATOM 162 CG GLU A 11 -21.222 5.105 -0.496 1.00 0.00 C ATOM 163 CD GLU A 11 -22.435 5.936 -0.921 1.00 0.02 C ATOM 164 OE1 GLU A 11 -23.447 5.856 -0.247 1.00 0.01 O ATOM 165 OE2 GLU A 11 -22.330 6.636 -1.915 1.00 0.02 O ATOM 0 H GLU A 11 -20.596 2.659 0.563 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.985 4.996 1.022 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -21.976 4.449 1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.257 6.047 1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.308 5.545 -0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.296 4.098 -0.906 1.00 0.00 H new ATOM 172 N ASP A 12 -20.081 3.463 3.688 1.00 0.02 N ATOM 173 CA ASP A 12 -19.978 3.498 5.184 1.00 0.01 C ATOM 174 C ASP A 12 -18.956 2.466 5.662 1.00 0.02 C ATOM 175 O ASP A 12 -18.479 1.638 4.911 1.00 0.02 O ATOM 176 CB ASP A 12 -21.341 3.180 5.806 1.00 0.01 C ATOM 177 CG ASP A 12 -22.432 3.950 5.061 1.00 0.01 C ATOM 178 OD1 ASP A 12 -22.085 4.757 4.214 1.00 0.02 O ATOM 179 OD2 ASP A 12 -23.595 3.718 5.348 1.00 0.03 O ATOM 0 H ASP A 12 -20.457 2.598 3.300 1.00 0.02 H new ATOM 0 HA ASP A 12 -19.659 4.494 5.490 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -21.536 2.109 5.753 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -21.344 3.453 6.861 1.00 0.01 H new ATOM 184 N ARG A 13 -18.619 2.531 6.918 1.00 0.02 N ATOM 185 CA ARG A 13 -17.625 1.584 7.499 1.00 0.02 C ATOM 186 C ARG A 13 -18.259 0.204 7.695 1.00 0.00 C ATOM 187 O ARG A 13 -19.467 0.052 7.704 1.00 0.02 O ATOM 188 CB ARG A 13 -17.172 2.136 8.851 1.00 0.00 C ATOM 189 CG ARG A 13 -16.277 3.356 8.634 1.00 0.01 C ATOM 190 CD ARG A 13 -16.055 4.070 9.968 1.00 0.02 C ATOM 191 NE ARG A 13 -15.305 5.335 9.733 1.00 0.03 N ATOM 192 CZ ARG A 13 -15.255 6.247 10.665 1.00 0.02 C ATOM 193 NH1 ARG A 13 -15.866 6.051 11.801 1.00 0.02 N ATOM 194 NH2 ARG A 13 -14.594 7.353 10.459 1.00 0.02 N ATOM 0 H ARG A 13 -18.996 3.211 7.579 1.00 0.02 H new ATOM 0 HA ARG A 13 -16.775 1.481 6.825 1.00 0.02 H new ATOM 0 HB2 ARG A 13 -18.039 2.411 9.452 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.630 1.369 9.405 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.321 3.048 8.211 1.00 0.01 H new ATOM 0 HG3 ARG A 13 -16.738 4.036 7.918 1.00 0.01 H new ATOM 0 HD2 ARG A 13 -17.013 4.285 10.442 1.00 0.02 H new ATOM 0 HD3 ARG A 13 -15.499 3.426 10.650 1.00 0.02 H new ATOM 0 HE ARG A 13 -14.830 5.489 8.843 1.00 0.03 H new ATOM 0 HH11 ARG A 13 -16.382 5.186 11.960 1.00 0.02 H new ATOM 0 HH12 ARG A 13 -15.828 6.763 12.530 1.00 0.02 H new ATOM 0 HH21 ARG A 13 -14.117 7.504 9.570 1.00 0.02 H new ATOM 0 HH22 ARG A 13 -14.554 8.067 11.187 1.00 0.02 H new ATOM 208 N ASN A 14 -17.436 -0.803 7.845 1.00 0.02 N ATOM 209 CA ASN A 14 -17.941 -2.192 8.053 1.00 0.02 C ATOM 210 C ASN A 14 -18.746 -2.659 6.842 1.00 0.02 C ATOM 211 O ASN A 14 -19.724 -3.370 6.957 1.00 0.02 O ATOM 212 CB ASN A 14 -18.797 -2.232 9.323 1.00 0.26 C ATOM 213 CG ASN A 14 -18.998 -3.684 9.761 1.00 0.12 C ATOM 214 OD1 ASN A 14 -19.955 -4.321 9.369 1.00 0.74 O ATOM 215 ND2 ASN A 14 -18.129 -4.239 10.562 1.00 0.46 N ATOM 0 H ASN A 14 -16.420 -0.719 7.832 1.00 0.02 H new ATOM 0 HA ASN A 14 -17.095 -2.870 8.170 1.00 0.02 H new ATOM 0 HB2 ASN A 14 -18.312 -1.665 10.118 1.00 0.26 H new ATOM 0 HB3 ASN A 14 -19.762 -1.760 9.138 1.00 0.26 H new ATOM 0 HD21 ASN A 14 -18.254 -5.207 10.858 1.00 0.46 H new ATOM 0 HD22 ASN A 14 -17.325 -3.705 10.891 1.00 0.46 H new ATOM 222 N PHE A 15 -18.318 -2.229 5.681 1.00 0.02 N ATOM 223 CA PHE A 15 -18.988 -2.590 4.396 1.00 0.02 C ATOM 224 C PHE A 15 -20.493 -2.358 4.482 1.00 0.00 C ATOM 225 O PHE A 15 -21.287 -3.146 4.007 1.00 0.02 O ATOM 226 CB PHE A 15 -18.690 -4.051 4.003 1.00 0.02 C ATOM 227 CG PHE A 15 -18.872 -4.978 5.180 1.00 0.02 C ATOM 228 CD1 PHE A 15 -17.794 -5.252 6.028 1.00 0.02 C ATOM 229 CD2 PHE A 15 -20.121 -5.565 5.422 1.00 0.02 C ATOM 230 CE1 PHE A 15 -17.963 -6.114 7.120 1.00 0.02 C ATOM 231 CE2 PHE A 15 -20.289 -6.425 6.514 1.00 0.02 C ATOM 232 CZ PHE A 15 -19.211 -6.700 7.362 1.00 0.02 C ATOM 0 H PHE A 15 -17.505 -1.623 5.569 1.00 0.02 H new ATOM 0 HA PHE A 15 -18.583 -1.941 3.620 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -19.351 -4.355 3.191 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -17.669 -4.129 3.629 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -16.831 -4.799 5.841 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -20.953 -5.354 4.767 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -17.131 -6.326 7.775 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -21.252 -6.877 6.702 1.00 0.02 H new ATOM 0 HZ PHE A 15 -19.342 -7.364 8.203 1.00 0.02 H new ATOM 242 N GLN A 16 -20.881 -1.249 5.057 1.00 0.02 N ATOM 243 CA GLN A 16 -22.330 -0.901 5.158 1.00 0.02 C ATOM 244 C GLN A 16 -22.593 0.276 4.212 1.00 0.02 C ATOM 245 O GLN A 16 -21.670 0.911 3.740 1.00 0.02 O ATOM 246 CB GLN A 16 -22.654 -0.478 6.595 1.00 0.02 C ATOM 247 CG GLN A 16 -22.770 -1.721 7.477 1.00 0.00 C ATOM 248 CD GLN A 16 -24.075 -2.452 7.158 1.00 0.00 C ATOM 249 OE1 GLN A 16 -25.113 -2.134 7.702 1.00 0.02 O ATOM 250 NE2 GLN A 16 -24.065 -3.429 6.291 1.00 0.02 N ATOM 0 H GLN A 16 -20.248 -0.562 5.466 1.00 0.02 H new ATOM 0 HA GLN A 16 -22.950 -1.757 4.891 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -21.874 0.180 6.977 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -23.586 0.086 6.618 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -21.920 -2.381 7.307 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -22.748 -1.437 8.529 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -23.193 -3.696 5.834 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -24.929 -3.925 6.071 1.00 0.02 H new ATOM 259 N GLY A 17 -23.831 0.576 3.918 1.00 0.03 N ATOM 260 CA GLY A 17 -24.118 1.719 2.997 1.00 0.03 C ATOM 261 C GLY A 17 -24.140 1.249 1.539 1.00 0.02 C ATOM 262 O GLY A 17 -24.151 0.069 1.253 1.00 0.02 O ATOM 0 H GLY A 17 -24.651 0.084 4.272 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -25.078 2.167 3.254 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -23.361 2.493 3.123 1.00 0.03 H new ATOM 266 N ARG A 18 -24.133 2.173 0.616 1.00 0.00 N ATOM 267 CA ARG A 18 -24.139 1.804 -0.831 1.00 0.02 C ATOM 268 C ARG A 18 -22.790 1.180 -1.193 1.00 0.02 C ATOM 269 O ARG A 18 -21.758 1.573 -0.686 1.00 0.02 O ATOM 270 CB ARG A 18 -24.366 3.067 -1.666 1.00 0.79 C ATOM 271 CG ARG A 18 -24.733 2.672 -3.103 1.00 1.49 C ATOM 272 CD ARG A 18 -24.951 3.934 -3.972 1.00 1.42 C ATOM 273 NE ARG A 18 -26.187 3.776 -4.805 1.00 2.07 N ATOM 274 CZ ARG A 18 -26.420 2.677 -5.478 1.00 2.35 C ATOM 275 NH1 ARG A 18 -25.525 1.730 -5.529 1.00 2.53 N ATOM 276 NH2 ARG A 18 -27.543 2.541 -6.128 1.00 2.76 N ATOM 0 H ARG A 18 -24.123 3.176 0.803 1.00 0.00 H new ATOM 0 HA ARG A 18 -24.935 1.087 -1.033 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -25.163 3.667 -1.228 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -23.467 3.683 -1.665 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -23.940 2.060 -3.532 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -25.638 2.064 -3.100 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -25.042 4.813 -3.334 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -24.087 4.096 -4.616 1.00 1.42 H new ATOM 0 HE ARG A 18 -26.861 4.541 -4.849 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -24.636 1.842 -5.042 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -25.714 0.877 -6.055 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -28.236 3.289 -6.111 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -27.728 1.686 -6.653 1.00 2.76 H new ATOM 290 N ARG A 19 -22.797 0.189 -2.057 1.00 0.02 N ATOM 291 CA ARG A 19 -21.526 -0.499 -2.453 1.00 0.02 C ATOM 292 C ARG A 19 -21.331 -0.420 -3.971 1.00 0.02 C ATOM 293 O ARG A 19 -22.278 -0.393 -4.732 1.00 0.02 O ATOM 294 CB ARG A 19 -21.617 -1.976 -2.031 1.00 0.85 C ATOM 295 CG ARG A 19 -20.415 -2.784 -2.587 1.00 1.31 C ATOM 296 CD ARG A 19 -20.807 -3.531 -3.875 1.00 1.34 C ATOM 297 NE ARG A 19 -21.399 -4.850 -3.519 1.00 1.50 N ATOM 298 CZ ARG A 19 -22.063 -5.530 -4.414 1.00 1.63 C ATOM 299 NH1 ARG A 19 -22.213 -5.054 -5.620 1.00 1.72 N ATOM 300 NH2 ARG A 19 -22.579 -6.686 -4.102 1.00 1.89 N ATOM 0 H ARG A 19 -23.637 -0.174 -2.508 1.00 0.02 H new ATOM 0 HA ARG A 19 -20.682 -0.013 -1.964 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -21.637 -2.047 -0.944 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -22.550 -2.406 -2.396 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -19.582 -2.111 -2.791 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -20.073 -3.497 -1.837 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -21.523 -2.941 -4.448 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -19.931 -3.672 -4.508 1.00 1.34 H new ATOM 0 HE ARG A 19 -21.286 -5.222 -2.576 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -21.811 -4.149 -5.865 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -22.732 -5.587 -6.318 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -22.464 -7.058 -3.159 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -23.098 -7.218 -4.801 1.00 1.89 H new ATOM 314 N TYR A 20 -20.095 -0.416 -4.409 1.00 0.02 N ATOM 315 CA TYR A 20 -19.803 -0.378 -5.879 1.00 0.02 C ATOM 316 C TYR A 20 -18.688 -1.370 -6.208 1.00 0.02 C ATOM 317 O TYR A 20 -17.674 -1.405 -5.547 1.00 0.02 O ATOM 318 CB TYR A 20 -19.372 1.017 -6.330 1.00 0.02 C ATOM 319 CG TYR A 20 -19.411 1.040 -7.838 1.00 0.01 C ATOM 320 CD1 TYR A 20 -18.308 0.592 -8.571 1.00 0.01 C ATOM 321 CD2 TYR A 20 -20.568 1.468 -8.499 1.00 0.02 C ATOM 322 CE1 TYR A 20 -18.358 0.580 -9.969 1.00 0.02 C ATOM 323 CE2 TYR A 20 -20.620 1.450 -9.896 1.00 0.02 C ATOM 324 CZ TYR A 20 -19.516 1.008 -10.631 1.00 0.02 C ATOM 325 OH TYR A 20 -19.567 0.989 -12.010 1.00 0.01 O ATOM 0 H TYR A 20 -19.271 -0.438 -3.809 1.00 0.02 H new ATOM 0 HA TYR A 20 -20.719 -0.645 -6.406 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -20.038 1.776 -5.918 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -18.369 1.243 -5.969 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -17.419 0.256 -8.059 1.00 0.01 H new ATOM 0 HD2 TYR A 20 -21.420 1.812 -7.931 1.00 0.02 H new ATOM 0 HE1 TYR A 20 -17.505 0.241 -10.537 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -21.513 1.778 -10.407 1.00 0.02 H new ATOM 0 HH TYR A 20 -20.441 1.316 -12.310 1.00 0.01 H new ATOM 335 N ASP A 21 -18.862 -2.167 -7.234 1.00 0.01 N ATOM 336 CA ASP A 21 -17.810 -3.161 -7.630 1.00 0.02 C ATOM 337 C ASP A 21 -17.184 -2.733 -8.965 1.00 0.00 C ATOM 338 O ASP A 21 -17.870 -2.327 -9.882 1.00 0.01 O ATOM 339 CB ASP A 21 -18.469 -4.532 -7.794 1.00 0.12 C ATOM 340 CG ASP A 21 -19.609 -4.433 -8.810 1.00 0.41 C ATOM 341 OD1 ASP A 21 -20.243 -3.393 -8.859 1.00 1.12 O ATOM 342 OD2 ASP A 21 -19.828 -5.400 -9.520 1.00 0.56 O ATOM 0 H ASP A 21 -19.696 -2.173 -7.821 1.00 0.01 H new ATOM 0 HA ASP A 21 -17.034 -3.209 -6.866 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -17.733 -5.263 -8.128 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -18.852 -4.880 -6.835 1.00 0.12 H new ATOM 347 N CYS A 22 -15.874 -2.819 -9.068 1.00 0.01 N ATOM 348 CA CYS A 22 -15.171 -2.414 -10.333 1.00 0.00 C ATOM 349 C CYS A 22 -14.238 -3.543 -10.781 1.00 0.02 C ATOM 350 O CYS A 22 -13.572 -4.166 -9.975 1.00 0.01 O ATOM 351 CB CYS A 22 -14.356 -1.145 -10.074 1.00 0.00 C ATOM 352 SG CYS A 22 -13.463 -0.684 -11.578 1.00 0.02 S ATOM 0 H CYS A 22 -15.259 -3.154 -8.326 1.00 0.01 H new ATOM 0 HA CYS A 22 -15.905 -2.221 -11.115 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -15.015 -0.333 -9.766 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.653 -1.312 -9.258 1.00 0.00 H new ATOM 0 HG CYS A 22 -13.725 0.554 -11.876 1.00 0.02 H new ATOM 358 N ASP A 23 -14.195 -3.818 -12.065 1.00 0.01 N ATOM 359 CA ASP A 23 -13.319 -4.917 -12.592 1.00 0.02 C ATOM 360 C ASP A 23 -12.275 -4.362 -13.574 1.00 0.00 C ATOM 361 O ASP A 23 -11.604 -5.111 -14.255 1.00 0.02 O ATOM 362 CB ASP A 23 -14.198 -5.943 -13.314 1.00 0.16 C ATOM 363 CG ASP A 23 -15.428 -6.255 -12.460 1.00 0.17 C ATOM 364 OD1 ASP A 23 -16.173 -5.333 -12.170 1.00 0.20 O ATOM 365 OD2 ASP A 23 -15.604 -7.410 -12.110 1.00 0.17 O ATOM 0 H ASP A 23 -14.734 -3.324 -12.776 1.00 0.01 H new ATOM 0 HA ASP A 23 -12.794 -5.382 -11.758 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -14.506 -5.554 -14.285 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -13.631 -6.855 -13.501 1.00 0.16 H new ATOM 370 N CYS A 24 -12.116 -3.064 -13.654 1.00 0.01 N ATOM 371 CA CYS A 24 -11.097 -2.496 -14.592 1.00 0.01 C ATOM 372 C CYS A 24 -10.738 -1.072 -14.149 1.00 0.01 C ATOM 373 O CYS A 24 -11.333 -0.538 -13.235 1.00 0.01 O ATOM 374 CB CYS A 24 -11.670 -2.464 -16.010 1.00 0.62 C ATOM 375 SG CYS A 24 -13.297 -1.672 -15.984 1.00 1.23 S ATOM 0 H CYS A 24 -12.643 -2.377 -13.115 1.00 0.01 H new ATOM 0 HA CYS A 24 -10.202 -3.117 -14.579 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -10.999 -1.919 -16.673 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -11.753 -3.477 -16.403 1.00 0.62 H new ATOM 0 HG CYS A 24 -13.784 -1.642 -17.189 1.00 1.23 H new ATOM 381 N ASP A 25 -9.768 -0.446 -14.773 1.00 0.02 N ATOM 382 CA ASP A 25 -9.379 0.939 -14.367 1.00 0.01 C ATOM 383 C ASP A 25 -10.549 1.901 -14.570 1.00 0.02 C ATOM 384 O ASP A 25 -11.314 1.780 -15.506 1.00 0.00 O ATOM 385 CB ASP A 25 -8.209 1.403 -15.237 1.00 0.01 C ATOM 386 CG ASP A 25 -8.537 1.148 -16.709 1.00 0.01 C ATOM 387 OD1 ASP A 25 -9.633 0.683 -16.980 1.00 0.01 O ATOM 388 OD2 ASP A 25 -7.689 1.422 -17.542 1.00 0.01 O ATOM 0 H ASP A 25 -9.230 -0.836 -15.546 1.00 0.02 H new ATOM 0 HA ASP A 25 -9.096 0.932 -13.314 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -8.019 2.464 -15.074 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -7.300 0.870 -14.958 1.00 0.01 H new ATOM 393 N CYS A 26 -10.675 2.877 -13.703 1.00 0.01 N ATOM 394 CA CYS A 26 -11.772 3.889 -13.835 1.00 0.01 C ATOM 395 C CYS A 26 -11.188 5.291 -13.621 1.00 0.01 C ATOM 396 O CYS A 26 -10.642 5.588 -12.578 1.00 0.01 O ATOM 397 CB CYS A 26 -12.847 3.616 -12.789 1.00 0.01 C ATOM 398 SG CYS A 26 -14.196 4.806 -12.984 1.00 0.02 S ATOM 0 H CYS A 26 -10.059 3.017 -12.902 1.00 0.01 H new ATOM 0 HA CYS A 26 -12.215 3.824 -14.829 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.226 2.600 -12.898 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -12.423 3.692 -11.788 1.00 0.01 H new ATOM 0 HG CYS A 26 -14.861 4.894 -11.870 1.00 0.02 H new ATOM 404 N ALA A 27 -11.270 6.138 -14.615 1.00 0.01 N ATOM 405 CA ALA A 27 -10.683 7.506 -14.490 1.00 0.01 C ATOM 406 C ALA A 27 -11.569 8.422 -13.640 1.00 0.01 C ATOM 407 O ALA A 27 -11.115 9.428 -13.133 1.00 0.02 O ATOM 408 CB ALA A 27 -10.513 8.114 -15.884 1.00 0.24 C ATOM 0 H ALA A 27 -11.719 5.941 -15.509 1.00 0.01 H new ATOM 0 HA ALA A 27 -9.716 7.417 -13.996 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -10.085 9.112 -15.796 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -9.848 7.485 -16.477 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -11.485 8.178 -16.374 1.00 0.24 H new ATOM 414 N ASP A 28 -12.825 8.106 -13.490 1.00 0.01 N ATOM 415 CA ASP A 28 -13.721 8.987 -12.676 1.00 0.02 C ATOM 416 C ASP A 28 -14.895 8.164 -12.142 1.00 0.01 C ATOM 417 O ASP A 28 -15.812 7.837 -12.871 1.00 0.02 O ATOM 418 CB ASP A 28 -14.245 10.130 -13.548 1.00 0.67 C ATOM 419 CG ASP A 28 -15.229 10.979 -12.740 1.00 0.90 C ATOM 420 OD1 ASP A 28 -16.278 10.463 -12.393 1.00 0.87 O ATOM 421 OD2 ASP A 28 -14.916 12.130 -12.483 1.00 1.14 O ATOM 0 H ASP A 28 -13.272 7.282 -13.892 1.00 0.01 H new ATOM 0 HA ASP A 28 -13.161 9.403 -11.838 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -13.416 10.747 -13.895 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -14.737 9.729 -14.434 1.00 0.67 H new ATOM 426 N PHE A 29 -14.879 7.828 -10.872 1.00 0.02 N ATOM 427 CA PHE A 29 -15.997 7.020 -10.277 1.00 0.02 C ATOM 428 C PHE A 29 -16.942 7.938 -9.481 1.00 0.00 C ATOM 429 O PHE A 29 -17.791 7.484 -8.738 1.00 0.02 O ATOM 430 CB PHE A 29 -15.412 5.925 -9.338 1.00 2.87 C ATOM 431 CG PHE A 29 -15.458 4.543 -9.987 1.00 3.99 C ATOM 432 CD1 PHE A 29 -16.648 4.054 -10.557 1.00 4.52 C ATOM 433 CD2 PHE A 29 -14.304 3.745 -10.008 1.00 4.68 C ATOM 434 CE1 PHE A 29 -16.673 2.788 -11.148 1.00 5.75 C ATOM 435 CE2 PHE A 29 -14.338 2.476 -10.597 1.00 5.85 C ATOM 436 CZ PHE A 29 -15.520 2.000 -11.170 1.00 6.37 C ATOM 0 H PHE A 29 -14.137 8.079 -10.219 1.00 0.02 H new ATOM 0 HA PHE A 29 -16.558 6.542 -11.080 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -14.381 6.175 -9.085 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -15.974 5.908 -8.404 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -17.543 4.658 -10.538 1.00 4.52 H new ATOM 0 HD2 PHE A 29 -13.388 4.111 -9.569 1.00 4.68 H new ATOM 0 HE1 PHE A 29 -17.587 2.418 -11.589 1.00 5.75 H new ATOM 0 HE2 PHE A 29 -13.449 1.863 -10.609 1.00 5.85 H new ATOM 0 HZ PHE A 29 -15.542 1.023 -11.630 1.00 6.37 H new ATOM 446 N ARG A 30 -16.754 9.222 -9.592 1.00 0.01 N ATOM 447 CA ARG A 30 -17.592 10.180 -8.816 1.00 0.00 C ATOM 448 C ARG A 30 -19.080 10.046 -9.162 1.00 0.01 C ATOM 449 O ARG A 30 -19.930 10.375 -8.359 1.00 0.02 O ATOM 450 CB ARG A 30 -17.143 11.612 -9.121 1.00 0.32 C ATOM 451 CG ARG A 30 -15.620 11.718 -8.978 1.00 0.86 C ATOM 452 CD ARG A 30 -15.200 11.335 -7.554 1.00 1.62 C ATOM 453 NE ARG A 30 -13.856 11.909 -7.263 1.00 2.25 N ATOM 454 CZ ARG A 30 -13.429 11.975 -6.031 1.00 2.70 C ATOM 455 NH1 ARG A 30 -14.178 11.538 -5.057 1.00 3.11 N ATOM 456 NH2 ARG A 30 -12.252 12.479 -5.773 1.00 3.02 N ATOM 0 H ARG A 30 -16.051 9.654 -10.191 1.00 0.01 H new ATOM 0 HA ARG A 30 -17.463 9.951 -7.758 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -17.443 11.890 -10.131 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -17.631 12.309 -8.440 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -15.132 11.062 -9.699 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -15.295 12.734 -9.201 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -15.930 11.707 -6.835 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -15.175 10.250 -7.450 1.00 1.62 H new ATOM 0 HE ARG A 30 -13.270 12.250 -8.025 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -15.097 11.145 -5.258 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -13.844 11.590 -4.094 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -11.666 12.821 -6.534 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -11.919 12.530 -4.810 1.00 3.02 H new ATOM 470 N SER A 31 -19.420 9.607 -10.344 1.00 0.02 N ATOM 471 CA SER A 31 -20.867 9.509 -10.709 1.00 0.02 C ATOM 472 C SER A 31 -21.519 8.274 -10.081 1.00 0.01 C ATOM 473 O SER A 31 -22.728 8.173 -10.013 1.00 0.02 O ATOM 474 CB SER A 31 -20.993 9.421 -12.230 1.00 0.37 C ATOM 475 OG SER A 31 -22.360 9.546 -12.596 1.00 0.88 O ATOM 0 H SER A 31 -18.766 9.313 -11.069 1.00 0.02 H new ATOM 0 HA SER A 31 -21.377 10.395 -10.331 1.00 0.02 H new ATOM 0 HB2 SER A 31 -20.405 10.209 -12.701 1.00 0.37 H new ATOM 0 HB3 SER A 31 -20.595 8.470 -12.585 1.00 0.37 H new ATOM 0 HG SER A 31 -22.916 9.054 -11.956 1.00 0.88 H new ATOM 481 N TYR A 32 -20.732 7.319 -9.656 1.00 0.01 N ATOM 482 CA TYR A 32 -21.306 6.063 -9.069 1.00 0.01 C ATOM 483 C TYR A 32 -21.111 6.041 -7.553 1.00 0.02 C ATOM 484 O TYR A 32 -21.786 5.321 -6.844 1.00 0.02 O ATOM 485 CB TYR A 32 -20.584 4.870 -9.690 1.00 0.02 C ATOM 486 CG TYR A 32 -20.496 5.066 -11.186 1.00 0.02 C ATOM 487 CD1 TYR A 32 -19.553 5.953 -11.719 1.00 0.01 C ATOM 488 CD2 TYR A 32 -21.358 4.367 -12.042 1.00 0.01 C ATOM 489 CE1 TYR A 32 -19.470 6.140 -13.104 1.00 0.00 C ATOM 490 CE2 TYR A 32 -21.275 4.554 -13.427 1.00 0.02 C ATOM 491 CZ TYR A 32 -20.330 5.441 -13.958 1.00 0.02 C ATOM 492 OH TYR A 32 -20.248 5.624 -15.323 1.00 0.02 O ATOM 0 H TYR A 32 -19.713 7.352 -9.689 1.00 0.01 H new ATOM 0 HA TYR A 32 -22.375 6.018 -9.280 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -19.585 4.773 -9.265 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -21.119 3.948 -9.463 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -18.889 6.494 -11.061 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -22.087 3.683 -11.633 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -18.742 6.824 -13.513 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -21.939 4.015 -14.086 1.00 0.02 H new ATOM 0 HH TYR A 32 -20.916 5.062 -15.769 1.00 0.02 H new ATOM 502 N LEU A 33 -20.178 6.797 -7.046 1.00 0.02 N ATOM 503 CA LEU A 33 -19.923 6.787 -5.571 1.00 0.02 C ATOM 504 C LEU A 33 -19.435 8.172 -5.127 1.00 0.02 C ATOM 505 O LEU A 33 -18.512 8.730 -5.686 1.00 0.02 O ATOM 506 CB LEU A 33 -18.817 5.757 -5.282 1.00 1.66 C ATOM 507 CG LEU A 33 -18.860 5.329 -3.801 1.00 2.38 C ATOM 508 CD1 LEU A 33 -19.915 4.233 -3.587 1.00 3.32 C ATOM 509 CD2 LEU A 33 -17.491 4.786 -3.383 1.00 2.80 C ATOM 0 H LEU A 33 -19.579 7.422 -7.585 1.00 0.02 H new ATOM 0 HA LEU A 33 -20.838 6.534 -5.035 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -18.945 4.885 -5.924 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -17.842 6.184 -5.516 1.00 1.66 H new ATOM 0 HG LEU A 33 -19.119 6.199 -3.198 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -19.931 3.944 -2.536 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -20.896 4.611 -3.874 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -19.667 3.365 -4.199 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -17.523 4.484 -2.336 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -17.237 3.925 -4.001 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -16.737 5.562 -3.514 1.00 2.80 H new ATOM 521 N SER A 34 -20.080 8.736 -4.136 1.00 0.02 N ATOM 522 CA SER A 34 -19.698 10.095 -3.653 1.00 0.02 C ATOM 523 C SER A 34 -18.599 10.021 -2.588 1.00 0.00 C ATOM 524 O SER A 34 -18.004 11.020 -2.236 1.00 0.01 O ATOM 525 CB SER A 34 -20.928 10.776 -3.054 1.00 0.02 C ATOM 526 OG SER A 34 -20.513 11.884 -2.264 1.00 0.02 O ATOM 0 H SER A 34 -20.861 8.308 -3.638 1.00 0.02 H new ATOM 0 HA SER A 34 -19.317 10.665 -4.500 1.00 0.02 H new ATOM 0 HB2 SER A 34 -21.596 11.110 -3.848 1.00 0.02 H new ATOM 0 HB3 SER A 34 -21.488 10.068 -2.443 1.00 0.02 H new ATOM 0 HG SER A 34 -19.537 11.962 -2.298 1.00 0.02 H new ATOM 532 N ARG A 35 -18.320 8.855 -2.061 1.00 0.02 N ATOM 533 CA ARG A 35 -17.263 8.729 -1.016 1.00 0.01 C ATOM 534 C ARG A 35 -17.035 7.240 -0.733 1.00 0.02 C ATOM 535 O ARG A 35 -17.862 6.408 -1.051 1.00 0.02 O ATOM 536 CB ARG A 35 -17.718 9.428 0.267 1.00 0.02 C ATOM 537 CG ARG A 35 -19.032 8.808 0.745 1.00 0.02 C ATOM 538 CD ARG A 35 -19.598 9.635 1.900 1.00 0.02 C ATOM 539 NE ARG A 35 -18.522 9.896 2.896 1.00 0.02 N ATOM 540 CZ ARG A 35 -18.688 10.814 3.809 1.00 0.02 C ATOM 541 NH1 ARG A 35 -19.795 11.505 3.844 1.00 0.00 N ATOM 542 NH2 ARG A 35 -17.748 11.042 4.684 1.00 0.02 N ATOM 0 H ARG A 35 -18.783 7.981 -2.312 1.00 0.02 H new ATOM 0 HA ARG A 35 -16.340 9.192 -1.363 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -16.954 9.329 1.039 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -17.851 10.495 0.086 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -19.749 8.772 -0.075 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -18.865 7.780 1.068 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -19.998 10.577 1.525 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -20.424 9.103 2.372 1.00 0.02 H new ATOM 0 HE ARG A 35 -17.656 9.358 2.865 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -20.529 11.327 3.158 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -19.926 12.223 4.557 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.883 10.503 4.655 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -17.878 11.759 5.397 1.00 0.02 H new ATOM 556 N CYS A 36 -15.926 6.894 -0.131 1.00 0.02 N ATOM 557 CA CYS A 36 -15.644 5.458 0.185 1.00 0.02 C ATOM 558 C CYS A 36 -14.920 5.380 1.533 1.00 0.02 C ATOM 559 O CYS A 36 -13.826 5.891 1.663 1.00 0.02 O ATOM 560 CB CYS A 36 -14.743 4.874 -0.903 1.00 0.02 C ATOM 561 SG CYS A 36 -13.450 6.075 -1.300 1.00 0.02 S ATOM 0 H CYS A 36 -15.198 7.548 0.158 1.00 0.02 H new ATOM 0 HA CYS A 36 -16.577 4.896 0.231 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -14.298 3.939 -0.562 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -15.328 4.642 -1.793 1.00 0.02 H new ATOM 0 HG CYS A 36 -13.025 6.632 -0.205 1.00 0.02 H new ATOM 567 N ASN A 37 -15.508 4.778 2.546 1.00 0.02 N ATOM 568 CA ASN A 37 -14.822 4.721 3.883 1.00 0.01 C ATOM 569 C ASN A 37 -14.319 3.306 4.182 1.00 0.02 C ATOM 570 O ASN A 37 -13.697 3.052 5.196 1.00 0.02 O ATOM 571 CB ASN A 37 -15.796 5.147 4.983 1.00 0.02 C ATOM 572 CG ASN A 37 -16.082 6.645 4.861 1.00 0.01 C ATOM 573 OD1 ASN A 37 -16.429 7.138 3.704 1.00 0.03 O flip ATOM 574 ND2 ASN A 37 -15.989 7.373 5.829 1.00 0.02 N flip ATOM 0 H ASN A 37 -16.423 4.329 2.506 1.00 0.02 H new ATOM 0 HA ASN A 37 -13.969 5.399 3.855 1.00 0.01 H new ATOM 0 HB2 ASN A 37 -16.724 4.581 4.901 1.00 0.02 H new ATOM 0 HB3 ASN A 37 -15.374 4.925 5.963 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -15.718 6.987 6.733 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -16.182 8.370 5.738 1.00 0.02 H new ATOM 581 N SER A 38 -14.553 2.390 3.281 1.00 0.02 N ATOM 582 CA SER A 38 -14.071 0.991 3.465 1.00 0.02 C ATOM 583 C SER A 38 -13.927 0.360 2.081 1.00 0.01 C ATOM 584 O SER A 38 -14.573 0.768 1.135 1.00 0.02 O ATOM 585 CB SER A 38 -15.060 0.182 4.309 1.00 0.01 C ATOM 586 OG SER A 38 -14.944 0.569 5.671 1.00 0.02 O ATOM 0 H SER A 38 -15.064 2.554 2.414 1.00 0.02 H new ATOM 0 HA SER A 38 -13.115 0.994 3.988 1.00 0.02 H new ATOM 0 HB2 SER A 38 -16.078 0.350 3.957 1.00 0.01 H new ATOM 0 HB3 SER A 38 -14.858 -0.884 4.204 1.00 0.01 H new ATOM 0 HG SER A 38 -15.321 -0.132 6.243 1.00 0.02 H new ATOM 592 N ILE A 39 -13.062 -0.611 1.940 1.00 0.02 N ATOM 593 CA ILE A 39 -12.856 -1.234 0.595 1.00 0.02 C ATOM 594 C ILE A 39 -12.524 -2.723 0.731 1.00 0.02 C ATOM 595 O ILE A 39 -11.854 -3.157 1.650 1.00 0.02 O ATOM 596 CB ILE A 39 -11.674 -0.541 -0.092 1.00 0.00 C ATOM 597 CG1 ILE A 39 -11.806 0.979 0.067 1.00 0.01 C ATOM 598 CG2 ILE A 39 -11.664 -0.900 -1.578 1.00 0.01 C ATOM 599 CD1 ILE A 39 -10.710 1.675 -0.739 1.00 0.00 C ATOM 0 H ILE A 39 -12.492 -0.999 2.692 1.00 0.02 H new ATOM 0 HA ILE A 39 -13.772 -1.122 0.014 1.00 0.02 H new ATOM 0 HB ILE A 39 -10.743 -0.874 0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.787 1.307 -0.276 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -11.728 1.253 1.119 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -10.823 -0.407 -2.066 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -11.567 -1.980 -1.691 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -12.595 -0.570 -2.038 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -10.805 2.755 -0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.733 1.356 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.809 1.411 -1.792 1.00 0.00 H new ATOM 611 N ARG A 40 -12.957 -3.502 -0.232 1.00 0.02 N ATOM 612 CA ARG A 40 -12.648 -4.965 -0.249 1.00 0.02 C ATOM 613 C ARG A 40 -11.962 -5.293 -1.578 1.00 0.01 C ATOM 614 O ARG A 40 -12.512 -5.052 -2.632 1.00 0.02 O ATOM 615 CB ARG A 40 -13.925 -5.804 -0.127 1.00 0.01 C ATOM 616 CG ARG A 40 -13.557 -7.254 0.198 1.00 0.02 C ATOM 617 CD ARG A 40 -14.809 -8.131 0.116 1.00 0.02 C ATOM 618 NE ARG A 40 -15.223 -8.274 -1.309 1.00 0.02 N ATOM 619 CZ ARG A 40 -16.069 -9.207 -1.653 1.00 0.02 C ATOM 620 NH1 ARG A 40 -16.556 -10.013 -0.748 1.00 0.02 N ATOM 621 NH2 ARG A 40 -16.427 -9.332 -2.901 1.00 0.02 N ATOM 0 H ARG A 40 -13.520 -3.179 -1.019 1.00 0.02 H new ATOM 0 HA ARG A 40 -12.003 -5.201 0.598 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -14.566 -5.397 0.655 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -14.491 -5.761 -1.058 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -12.802 -7.614 -0.501 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -13.122 -7.315 1.196 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -14.608 -9.112 0.548 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -15.616 -7.686 0.698 1.00 0.02 H new ATOM 0 HE ARG A 40 -14.845 -7.643 -2.015 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -16.275 -9.914 0.228 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -17.217 -10.742 -1.017 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -16.046 -8.701 -3.606 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -17.088 -10.060 -3.171 1.00 0.02 H new ATOM 635 N VAL A 41 -10.796 -5.881 -1.538 1.00 0.02 N ATOM 636 CA VAL A 41 -10.103 -6.281 -2.803 1.00 0.01 C ATOM 637 C VAL A 41 -10.209 -7.801 -2.905 1.00 0.02 C ATOM 638 O VAL A 41 -9.696 -8.520 -2.071 1.00 0.02 O ATOM 639 CB VAL A 41 -8.641 -5.837 -2.766 1.00 0.01 C ATOM 640 CG1 VAL A 41 -7.976 -6.171 -4.105 1.00 0.02 C ATOM 641 CG2 VAL A 41 -8.587 -4.322 -2.545 1.00 0.00 C ATOM 0 H VAL A 41 -10.290 -6.103 -0.681 1.00 0.02 H new ATOM 0 HA VAL A 41 -10.562 -5.808 -3.671 1.00 0.01 H new ATOM 0 HB VAL A 41 -8.119 -6.351 -1.959 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -6.933 -5.856 -4.082 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -8.026 -7.246 -4.278 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -8.495 -5.649 -4.909 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -7.548 -3.995 -2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.104 -3.817 -3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.071 -4.075 -1.600 1.00 0.00 H new ATOM 651 N GLU A 42 -10.902 -8.291 -3.896 1.00 0.01 N ATOM 652 CA GLU A 42 -11.081 -9.765 -4.026 1.00 0.01 C ATOM 653 C GLU A 42 -9.886 -10.400 -4.735 1.00 0.02 C ATOM 654 O GLU A 42 -9.514 -11.519 -4.443 1.00 0.01 O ATOM 655 CB GLU A 42 -12.359 -10.053 -4.813 1.00 0.99 C ATOM 656 CG GLU A 42 -13.575 -9.625 -3.987 1.00 1.86 C ATOM 657 CD GLU A 42 -13.753 -10.584 -2.810 1.00 3.10 C ATOM 658 OE1 GLU A 42 -14.380 -11.613 -3.000 1.00 3.67 O ATOM 659 OE2 GLU A 42 -13.258 -10.274 -1.740 1.00 3.81 O ATOM 0 H GLU A 42 -11.352 -7.734 -4.622 1.00 0.01 H new ATOM 0 HA GLU A 42 -11.155 -10.196 -3.028 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -12.343 -9.516 -5.762 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -12.422 -11.115 -5.049 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -13.441 -8.606 -3.623 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -14.470 -9.626 -4.609 1.00 1.86 H new ATOM 666 N GLY A 43 -9.279 -9.718 -5.667 1.00 0.01 N ATOM 667 CA GLY A 43 -8.119 -10.336 -6.369 1.00 0.02 C ATOM 668 C GLY A 43 -7.312 -9.279 -7.122 1.00 0.02 C ATOM 669 O GLY A 43 -7.839 -8.268 -7.545 1.00 0.02 O ATOM 0 H GLY A 43 -9.530 -8.777 -5.969 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -7.479 -10.842 -5.646 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -8.473 -11.095 -7.067 1.00 0.02 H new ATOM 673 N GLY A 44 -6.044 -9.510 -7.314 1.00 0.00 N ATOM 674 CA GLY A 44 -5.218 -8.520 -8.064 1.00 0.01 C ATOM 675 C GLY A 44 -4.747 -7.402 -7.133 1.00 0.01 C ATOM 676 O GLY A 44 -5.174 -7.299 -5.999 1.00 0.01 O ATOM 0 H GLY A 44 -5.544 -10.337 -6.987 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.357 -9.018 -8.508 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -5.800 -8.098 -8.883 1.00 0.01 H new ATOM 680 N THR A 45 -3.896 -6.542 -7.631 1.00 0.01 N ATOM 681 CA THR A 45 -3.403 -5.381 -6.821 1.00 0.00 C ATOM 682 C THR A 45 -3.800 -4.095 -7.549 1.00 0.01 C ATOM 683 O THR A 45 -3.699 -4.015 -8.758 1.00 0.01 O ATOM 684 CB THR A 45 -1.879 -5.451 -6.695 1.00 0.73 C ATOM 685 OG1 THR A 45 -1.519 -6.618 -5.971 1.00 0.88 O ATOM 686 CG2 THR A 45 -1.369 -4.212 -5.959 1.00 1.48 C ATOM 0 H THR A 45 -3.516 -6.593 -8.576 1.00 0.01 H new ATOM 0 HA THR A 45 -3.839 -5.403 -5.822 1.00 0.00 H new ATOM 0 HB THR A 45 -1.433 -5.488 -7.689 1.00 0.73 H new ATOM 0 HG1 THR A 45 -1.353 -7.353 -6.597 1.00 0.88 H new ATOM 0 HG21 THR A 45 -0.284 -4.263 -5.870 1.00 1.48 H new ATOM 0 HG22 THR A 45 -1.646 -3.318 -6.517 1.00 1.48 H new ATOM 0 HG23 THR A 45 -1.813 -4.171 -4.964 1.00 1.48 H new ATOM 694 N TRP A 46 -4.319 -3.113 -6.846 1.00 0.02 N ATOM 695 CA TRP A 46 -4.791 -1.863 -7.531 1.00 0.01 C ATOM 696 C TRP A 46 -4.187 -0.601 -6.912 1.00 0.01 C ATOM 697 O TRP A 46 -3.834 -0.546 -5.750 1.00 0.01 O ATOM 698 CB TRP A 46 -6.314 -1.782 -7.411 1.00 0.00 C ATOM 699 CG TRP A 46 -6.935 -2.956 -8.099 1.00 0.01 C ATOM 700 CD1 TRP A 46 -6.815 -4.244 -7.702 1.00 0.01 C ATOM 701 CD2 TRP A 46 -7.771 -2.972 -9.291 1.00 0.01 C ATOM 702 NE1 TRP A 46 -7.521 -5.049 -8.576 1.00 0.00 N ATOM 703 CE2 TRP A 46 -8.129 -4.311 -9.573 1.00 0.01 C ATOM 704 CE3 TRP A 46 -8.249 -1.963 -10.147 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -8.931 -4.638 -10.665 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -9.057 -2.290 -11.249 1.00 0.02 C ATOM 707 CH2 TRP A 46 -9.398 -3.625 -11.506 1.00 0.01 C ATOM 0 H TRP A 46 -4.436 -3.122 -5.833 1.00 0.02 H new ATOM 0 HA TRP A 46 -4.473 -1.913 -8.573 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.606 -1.767 -6.361 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.675 -0.855 -7.855 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -6.258 -4.587 -6.842 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -7.585 -6.064 -8.495 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.993 -0.931 -9.956 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -9.190 -5.668 -10.860 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -9.417 -1.508 -11.902 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -10.021 -3.870 -12.353 1.00 0.01 H new ATOM 718 N ALA A 47 -4.142 0.436 -7.706 1.00 0.01 N ATOM 719 CA ALA A 47 -3.655 1.767 -7.241 1.00 0.01 C ATOM 720 C ALA A 47 -4.891 2.664 -7.195 1.00 0.01 C ATOM 721 O ALA A 47 -5.675 2.693 -8.124 1.00 0.01 O ATOM 722 CB ALA A 47 -2.625 2.325 -8.227 1.00 0.24 C ATOM 0 H ALA A 47 -4.431 0.414 -8.684 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.168 1.705 -6.268 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -2.276 3.297 -7.878 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -1.780 1.640 -8.297 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -3.084 2.436 -9.209 1.00 0.24 H new ATOM 728 N VAL A 48 -5.058 3.414 -6.134 1.00 0.01 N ATOM 729 CA VAL A 48 -6.233 4.339 -6.027 1.00 0.02 C ATOM 730 C VAL A 48 -5.731 5.780 -5.953 1.00 0.01 C ATOM 731 O VAL A 48 -4.713 6.052 -5.347 1.00 0.01 O ATOM 732 CB VAL A 48 -7.049 4.005 -4.779 1.00 0.09 C ATOM 733 CG1 VAL A 48 -7.658 2.609 -4.930 1.00 0.48 C ATOM 734 CG2 VAL A 48 -6.136 4.037 -3.550 1.00 0.65 C ATOM 0 H VAL A 48 -4.428 3.427 -5.332 1.00 0.01 H new ATOM 0 HA VAL A 48 -6.871 4.220 -6.903 1.00 0.02 H new ATOM 0 HB VAL A 48 -7.847 4.738 -4.656 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -8.241 2.368 -4.041 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -8.307 2.588 -5.806 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -6.861 1.875 -5.051 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -6.717 3.799 -2.659 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -5.339 3.304 -3.670 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -5.702 5.031 -3.445 1.00 0.65 H new ATOM 744 N TYR A 49 -6.431 6.703 -6.574 1.00 0.01 N ATOM 745 CA TYR A 49 -5.996 8.137 -6.555 1.00 0.01 C ATOM 746 C TYR A 49 -7.093 8.999 -5.930 1.00 0.01 C ATOM 747 O TYR A 49 -8.278 8.753 -6.085 1.00 0.02 O ATOM 748 CB TYR A 49 -5.727 8.604 -7.988 1.00 0.01 C ATOM 749 CG TYR A 49 -4.419 8.021 -8.478 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.304 6.640 -8.683 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.324 8.859 -8.730 1.00 0.01 C ATOM 752 CE1 TYR A 49 -3.097 6.098 -9.139 1.00 0.01 C ATOM 753 CE2 TYR A 49 -2.117 8.315 -9.187 1.00 0.01 C ATOM 754 CZ TYR A 49 -2.003 6.936 -9.390 1.00 0.02 C ATOM 755 OH TYR A 49 -0.813 6.399 -9.839 1.00 0.01 O ATOM 0 H TYR A 49 -7.289 6.522 -7.095 1.00 0.01 H new ATOM 0 HA TYR A 49 -5.085 8.233 -5.964 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -6.542 8.293 -8.641 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -5.687 9.693 -8.024 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.147 5.993 -8.489 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -3.411 9.924 -8.572 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -3.009 5.033 -9.297 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -1.274 8.961 -9.383 1.00 0.01 H new ATOM 0 HH TYR A 49 -0.157 7.116 -9.965 1.00 0.01 H new ATOM 765 N GLU A 50 -6.677 9.995 -5.193 1.00 0.01 N ATOM 766 CA GLU A 50 -7.632 10.891 -4.482 1.00 0.01 C ATOM 767 C GLU A 50 -8.489 11.690 -5.464 1.00 0.01 C ATOM 768 O GLU A 50 -9.631 11.988 -5.175 1.00 0.02 O ATOM 769 CB GLU A 50 -6.828 11.861 -3.614 1.00 0.02 C ATOM 770 CG GLU A 50 -7.765 12.569 -2.633 1.00 0.01 C ATOM 771 CD GLU A 50 -7.006 13.689 -1.919 1.00 0.02 C ATOM 772 OE1 GLU A 50 -5.956 13.408 -1.367 1.00 0.02 O ATOM 773 OE2 GLU A 50 -7.489 14.809 -1.934 1.00 0.01 O ATOM 0 H GLU A 50 -5.694 10.229 -5.052 1.00 0.01 H new ATOM 0 HA GLU A 50 -8.299 10.280 -3.874 1.00 0.01 H new ATOM 0 HB2 GLU A 50 -6.054 11.321 -3.068 1.00 0.02 H new ATOM 0 HB3 GLU A 50 -6.322 12.594 -4.243 1.00 0.02 H new ATOM 0 HG2 GLU A 50 -8.623 12.979 -3.165 1.00 0.01 H new ATOM 0 HG3 GLU A 50 -8.152 11.856 -1.905 1.00 0.01 H new ATOM 780 N ARG A 51 -7.959 12.066 -6.607 1.00 0.02 N ATOM 781 CA ARG A 51 -8.766 12.877 -7.582 1.00 0.02 C ATOM 782 C ARG A 51 -8.777 12.169 -8.953 1.00 0.01 C ATOM 783 O ARG A 51 -7.904 11.370 -9.244 1.00 0.02 O ATOM 784 CB ARG A 51 -8.099 14.268 -7.713 1.00 0.02 C ATOM 785 CG ARG A 51 -8.769 15.270 -6.764 1.00 0.01 C ATOM 786 CD ARG A 51 -7.939 16.555 -6.708 1.00 0.02 C ATOM 787 NE ARG A 51 -8.582 17.520 -5.773 1.00 0.02 N ATOM 788 CZ ARG A 51 -7.912 18.550 -5.336 1.00 0.02 C ATOM 789 NH1 ARG A 51 -6.677 18.734 -5.715 1.00 0.02 N ATOM 790 NH2 ARG A 51 -8.475 19.395 -4.519 1.00 0.01 N ATOM 0 H ARG A 51 -7.009 11.848 -6.906 1.00 0.02 H new ATOM 0 HA ARG A 51 -9.794 12.984 -7.235 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -7.036 14.193 -7.482 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -8.178 14.622 -8.741 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -9.779 15.492 -7.107 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -8.858 14.839 -5.767 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -6.925 16.332 -6.377 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -7.860 16.993 -7.703 1.00 0.02 H new ATOM 0 HE ARG A 51 -9.547 17.375 -5.474 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -6.235 18.072 -6.353 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -6.153 19.540 -5.373 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -9.440 19.251 -4.221 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -7.951 20.201 -4.177 1.00 0.01 H new ATOM 804 N PRO A 52 -9.761 12.464 -9.791 1.00 0.02 N ATOM 805 CA PRO A 52 -9.863 11.825 -11.138 1.00 0.02 C ATOM 806 C PRO A 52 -8.580 11.963 -11.962 1.00 0.01 C ATOM 807 O PRO A 52 -7.696 12.742 -11.663 1.00 0.02 O ATOM 808 CB PRO A 52 -11.042 12.586 -11.790 1.00 0.02 C ATOM 809 CG PRO A 52 -11.506 13.689 -10.821 1.00 0.01 C ATOM 810 CD PRO A 52 -10.840 13.444 -9.460 1.00 0.01 C ATOM 0 HA PRO A 52 -10.017 10.748 -11.076 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -10.733 13.022 -12.740 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -11.862 11.901 -12.005 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -11.234 14.672 -11.206 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -12.591 13.675 -10.721 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -10.435 14.363 -9.036 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -11.544 13.040 -8.732 1.00 0.01 H new ATOM 818 N ASN A 53 -8.520 11.213 -13.027 1.00 0.02 N ATOM 819 CA ASN A 53 -7.352 11.270 -13.945 1.00 0.02 C ATOM 820 C ASN A 53 -6.073 10.822 -13.238 1.00 0.01 C ATOM 821 O ASN A 53 -4.997 11.325 -13.489 1.00 0.01 O ATOM 822 CB ASN A 53 -7.191 12.702 -14.464 1.00 0.01 C ATOM 823 CG ASN A 53 -8.570 13.297 -14.758 1.00 0.02 C ATOM 824 OD1 ASN A 53 -9.585 12.499 -14.950 1.00 0.02 O flip ATOM 825 ND2 ASN A 53 -8.727 14.501 -14.814 1.00 0.01 N flip ATOM 0 H ASN A 53 -9.246 10.551 -13.303 1.00 0.02 H new ATOM 0 HA ASN A 53 -7.528 10.591 -14.779 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -6.670 13.311 -13.725 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -6.581 12.706 -15.368 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -7.935 15.126 -14.664 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -9.651 14.886 -15.011 1.00 0.01 H new ATOM 832 N PHE A 54 -6.193 9.852 -12.370 1.00 0.02 N ATOM 833 CA PHE A 54 -5.003 9.323 -11.648 1.00 0.01 C ATOM 834 C PHE A 54 -4.125 10.466 -11.140 1.00 0.01 C ATOM 835 O PHE A 54 -2.933 10.505 -11.372 1.00 0.02 O ATOM 836 CB PHE A 54 -4.205 8.420 -12.599 1.00 1.78 C ATOM 837 CG PHE A 54 -5.166 7.646 -13.477 1.00 2.32 C ATOM 838 CD1 PHE A 54 -6.136 6.823 -12.892 1.00 2.53 C ATOM 839 CD2 PHE A 54 -5.089 7.754 -14.872 1.00 2.77 C ATOM 840 CE1 PHE A 54 -7.027 6.107 -13.700 1.00 3.03 C ATOM 841 CE2 PHE A 54 -5.981 7.037 -15.680 1.00 3.32 C ATOM 842 CZ PHE A 54 -6.950 6.214 -15.093 1.00 3.39 C ATOM 0 H PHE A 54 -7.075 9.400 -12.129 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.333 8.747 -10.784 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -3.536 9.021 -13.214 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -3.581 7.732 -12.028 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -6.197 6.741 -11.817 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -4.342 8.390 -15.324 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -7.774 5.472 -13.248 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -5.921 7.119 -16.755 1.00 3.32 H new ATOM 0 HZ PHE A 54 -7.638 5.662 -15.716 1.00 3.39 H new ATOM 852 N SER A 55 -4.730 11.398 -10.442 1.00 0.02 N ATOM 853 CA SER A 55 -3.969 12.567 -9.891 1.00 0.02 C ATOM 854 C SER A 55 -4.206 12.677 -8.381 1.00 0.01 C ATOM 855 O SER A 55 -5.122 12.084 -7.842 1.00 0.01 O ATOM 856 CB SER A 55 -4.455 13.847 -10.570 1.00 1.90 C ATOM 857 OG SER A 55 -3.945 14.973 -9.869 1.00 2.33 O ATOM 0 H SER A 55 -5.727 11.399 -10.228 1.00 0.02 H new ATOM 0 HA SER A 55 -2.905 12.426 -10.080 1.00 0.02 H new ATOM 0 HB2 SER A 55 -4.124 13.870 -11.608 1.00 1.90 H new ATOM 0 HB3 SER A 55 -5.545 13.875 -10.582 1.00 1.90 H new ATOM 0 HG SER A 55 -4.253 15.796 -10.303 1.00 2.33 H new ATOM 863 N GLY A 56 -3.379 13.420 -7.690 1.00 0.02 N ATOM 864 CA GLY A 56 -3.541 13.560 -6.210 1.00 0.02 C ATOM 865 C GLY A 56 -2.774 12.442 -5.493 1.00 0.02 C ATOM 866 O GLY A 56 -1.889 11.828 -6.057 1.00 0.00 O ATOM 0 H GLY A 56 -2.596 13.938 -8.088 1.00 0.02 H new ATOM 0 HA2 GLY A 56 -3.171 14.533 -5.885 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -4.597 13.516 -5.945 1.00 0.02 H new ATOM 870 N HIS A 57 -3.085 12.186 -4.251 1.00 0.02 N ATOM 871 CA HIS A 57 -2.349 11.125 -3.499 1.00 0.02 C ATOM 872 C HIS A 57 -2.626 9.751 -4.114 1.00 0.01 C ATOM 873 O HIS A 57 -3.744 9.443 -4.481 1.00 0.01 O ATOM 874 CB HIS A 57 -2.803 11.134 -2.037 1.00 0.00 C ATOM 875 CG HIS A 57 -2.591 12.505 -1.453 1.00 0.01 C ATOM 876 ND1 HIS A 57 -3.172 13.719 -1.726 1.00 0.01 N flip ATOM 877 CD2 HIS A 57 -1.676 12.744 -0.439 1.00 0.01 C flip ATOM 878 CE1 HIS A 57 -2.629 14.696 -0.896 1.00 0.02 C flip ATOM 879 NE2 HIS A 57 -1.733 14.055 -0.142 1.00 0.01 N flip ATOM 0 H HIS A 57 -3.816 12.664 -3.724 1.00 0.02 H new ATOM 0 HA HIS A 57 -1.279 11.325 -3.554 1.00 0.02 H new ATOM 0 HB2 HIS A 57 -3.855 10.858 -1.970 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.242 10.394 -1.467 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.034 12.011 0.028 1.00 0.01 H new ATOM 0 HE1 HIS A 57 -2.879 15.746 -0.868 1.00 0.02 H new ATOM 0 HE2 HIS A 57 -1.161 14.505 0.573 1.00 0.01 H new ATOM 887 N MET A 58 -1.610 8.919 -4.219 1.00 0.02 N ATOM 888 CA MET A 58 -1.787 7.549 -4.804 1.00 0.02 C ATOM 889 C MET A 58 -1.427 6.487 -3.758 1.00 0.01 C ATOM 890 O MET A 58 -0.450 6.608 -3.044 1.00 0.01 O ATOM 891 CB MET A 58 -0.869 7.397 -6.024 1.00 2.61 C ATOM 892 CG MET A 58 0.597 7.628 -5.619 1.00 3.46 C ATOM 893 SD MET A 58 1.310 6.073 -5.022 1.00 4.50 S ATOM 894 CE MET A 58 2.011 5.520 -6.597 1.00 5.01 C ATOM 0 H MET A 58 -0.659 9.135 -3.921 1.00 0.02 H new ATOM 0 HA MET A 58 -2.826 7.416 -5.106 1.00 0.02 H new ATOM 0 HB2 MET A 58 -0.983 6.401 -6.452 1.00 2.61 H new ATOM 0 HB3 MET A 58 -1.157 8.110 -6.796 1.00 2.61 H new ATOM 0 HG2 MET A 58 1.167 7.998 -6.471 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.655 8.390 -4.841 1.00 3.46 H new ATOM 0 HE1 MET A 58 2.508 4.560 -6.457 1.00 5.01 H new ATOM 0 HE2 MET A 58 1.214 5.412 -7.332 1.00 5.01 H new ATOM 0 HE3 MET A 58 2.734 6.255 -6.952 1.00 5.01 H new ATOM 904 N TYR A 59 -2.220 5.448 -3.663 1.00 0.02 N ATOM 905 CA TYR A 59 -1.955 4.354 -2.668 1.00 0.01 C ATOM 906 C TYR A 59 -2.109 2.987 -3.349 1.00 0.01 C ATOM 907 O TYR A 59 -3.012 2.767 -4.132 1.00 0.02 O ATOM 908 CB TYR A 59 -2.968 4.447 -1.527 1.00 0.01 C ATOM 909 CG TYR A 59 -2.700 5.686 -0.706 1.00 0.01 C ATOM 910 CD1 TYR A 59 -1.754 5.649 0.326 1.00 0.01 C ATOM 911 CD2 TYR A 59 -3.399 6.869 -0.974 1.00 0.01 C ATOM 912 CE1 TYR A 59 -1.508 6.795 1.091 1.00 0.02 C ATOM 913 CE2 TYR A 59 -3.151 8.016 -0.209 1.00 0.01 C ATOM 914 CZ TYR A 59 -2.206 7.978 0.823 1.00 0.01 C ATOM 915 OH TYR A 59 -1.963 9.109 1.579 1.00 0.01 O ATOM 0 H TYR A 59 -3.050 5.307 -4.238 1.00 0.02 H new ATOM 0 HA TYR A 59 -0.942 4.463 -2.280 1.00 0.01 H new ATOM 0 HB2 TYR A 59 -3.981 4.478 -1.929 1.00 0.01 H new ATOM 0 HB3 TYR A 59 -2.902 3.560 -0.897 1.00 0.01 H new ATOM 0 HD1 TYR A 59 -1.214 4.736 0.532 1.00 0.01 H new ATOM 0 HD2 TYR A 59 -4.129 6.897 -1.770 1.00 0.01 H new ATOM 0 HE1 TYR A 59 -0.780 6.766 1.888 1.00 0.02 H new ATOM 0 HE2 TYR A 59 -3.689 8.930 -0.415 1.00 0.01 H new ATOM 0 HH TYR A 59 -2.339 9.892 1.126 1.00 0.01 H new ATOM 925 N ILE A 60 -1.226 2.068 -3.041 1.00 0.02 N ATOM 926 CA ILE A 60 -1.293 0.698 -3.642 1.00 0.01 C ATOM 927 C ILE A 60 -2.033 -0.238 -2.678 1.00 0.01 C ATOM 928 O ILE A 60 -1.747 -0.263 -1.497 1.00 0.01 O ATOM 929 CB ILE A 60 0.130 0.176 -3.867 1.00 0.45 C ATOM 930 CG1 ILE A 60 0.983 1.269 -4.524 1.00 1.35 C ATOM 931 CG2 ILE A 60 0.088 -1.053 -4.775 1.00 1.21 C ATOM 932 CD1 ILE A 60 0.261 1.834 -5.751 1.00 1.72 C ATOM 0 H ILE A 60 -0.453 2.210 -2.391 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.822 0.737 -4.594 1.00 0.01 H new ATOM 0 HB ILE A 60 0.569 -0.097 -2.907 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.179 2.067 -3.808 1.00 1.35 H new ATOM 0 HG13 ILE A 60 1.950 0.859 -4.818 1.00 1.35 H new ATOM 0 HG21 ILE A 60 1.101 -1.423 -4.934 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.513 -1.832 -4.306 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -0.354 -0.782 -5.734 1.00 1.21 H new ATOM 0 HD11 ILE A 60 0.875 2.609 -6.210 1.00 1.72 H new ATOM 0 HD12 ILE A 60 0.088 1.035 -6.471 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -0.694 2.261 -5.446 1.00 1.72 H new ATOM 944 N LEU A 61 -2.998 -0.988 -3.166 1.00 0.01 N ATOM 945 CA LEU A 61 -3.783 -1.906 -2.267 1.00 0.01 C ATOM 946 C LEU A 61 -3.656 -3.382 -2.734 1.00 0.01 C ATOM 947 O LEU A 61 -4.196 -3.739 -3.764 1.00 0.00 O ATOM 948 CB LEU A 61 -5.273 -1.489 -2.329 1.00 0.01 C ATOM 949 CG LEU A 61 -5.624 -0.523 -1.177 1.00 0.02 C ATOM 950 CD1 LEU A 61 -7.049 0.002 -1.385 1.00 0.01 C ATOM 951 CD2 LEU A 61 -5.530 -1.247 0.188 1.00 0.01 C ATOM 0 H LEU A 61 -3.277 -1.005 -4.147 1.00 0.01 H new ATOM 0 HA LEU A 61 -3.394 -1.829 -1.252 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -5.481 -1.011 -3.286 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -5.905 -2.375 -2.271 1.00 0.01 H new ATOM 0 HG LEU A 61 -4.916 0.306 -1.177 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -7.307 0.686 -0.576 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -7.107 0.529 -2.338 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -7.748 -0.834 -1.390 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -5.781 -0.550 0.988 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -6.228 -2.084 0.204 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -4.515 -1.617 0.334 1.00 0.01 H new ATOM 963 N PRO A 62 -2.994 -4.258 -1.986 1.00 0.02 N ATOM 964 CA PRO A 62 -2.915 -5.689 -2.392 1.00 0.01 C ATOM 965 C PRO A 62 -4.236 -6.406 -2.064 1.00 0.00 C ATOM 966 O PRO A 62 -5.085 -5.866 -1.383 1.00 0.02 O ATOM 967 CB PRO A 62 -1.755 -6.213 -1.531 1.00 1.47 C ATOM 968 CG PRO A 62 -1.544 -5.220 -0.373 1.00 1.29 C ATOM 969 CD PRO A 62 -2.277 -3.910 -0.721 1.00 0.82 C ATOM 0 HA PRO A 62 -2.755 -5.846 -3.459 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.984 -7.207 -1.146 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -0.847 -6.303 -2.127 1.00 1.47 H new ATOM 0 HG2 PRO A 62 -1.929 -5.635 0.558 1.00 1.29 H new ATOM 0 HG3 PRO A 62 -0.481 -5.032 -0.223 1.00 1.29 H new ATOM 0 HD2 PRO A 62 -2.969 -3.612 0.067 1.00 0.82 H new ATOM 0 HD3 PRO A 62 -1.581 -3.083 -0.865 1.00 0.82 H new ATOM 977 N GLN A 63 -4.424 -7.606 -2.542 1.00 0.02 N ATOM 978 CA GLN A 63 -5.697 -8.332 -2.251 1.00 0.00 C ATOM 979 C GLN A 63 -5.955 -8.372 -0.741 1.00 0.00 C ATOM 980 O GLN A 63 -5.045 -8.545 0.045 1.00 0.02 O ATOM 981 CB GLN A 63 -5.590 -9.764 -2.779 1.00 1.27 C ATOM 982 CG GLN A 63 -4.394 -10.461 -2.127 1.00 1.67 C ATOM 983 CD GLN A 63 -4.139 -11.799 -2.823 1.00 2.43 C ATOM 984 OE1 GLN A 63 -4.080 -11.865 -4.034 1.00 4.25 O ATOM 985 NE2 GLN A 63 -3.984 -12.876 -2.101 1.00 3.04 N ATOM 0 H GLN A 63 -3.755 -8.115 -3.120 1.00 0.02 H new ATOM 0 HA GLN A 63 -6.521 -7.811 -2.738 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.507 -10.312 -2.562 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -5.473 -9.755 -3.863 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -3.509 -9.829 -2.197 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -4.588 -10.622 -1.067 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -4.034 -12.820 -1.084 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -3.813 -13.774 -2.554 1.00 3.04 H new ATOM 994 N GLY A 64 -7.189 -8.224 -0.321 1.00 0.02 N ATOM 995 CA GLY A 64 -7.479 -8.267 1.146 1.00 0.01 C ATOM 996 C GLY A 64 -8.766 -7.499 1.470 1.00 0.02 C ATOM 997 O GLY A 64 -9.440 -6.985 0.599 1.00 0.02 O ATOM 0 H GLY A 64 -7.999 -8.077 -0.923 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -7.577 -9.303 1.472 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -6.644 -7.836 1.699 1.00 0.01 H new ATOM 1001 N GLU A 65 -9.110 -7.426 2.734 1.00 0.02 N ATOM 1002 CA GLU A 65 -10.354 -6.704 3.161 1.00 0.02 C ATOM 1003 C GLU A 65 -9.989 -5.566 4.117 1.00 0.02 C ATOM 1004 O GLU A 65 -9.259 -5.750 5.071 1.00 0.02 O ATOM 1005 CB GLU A 65 -11.272 -7.687 3.890 1.00 0.77 C ATOM 1006 CG GLU A 65 -12.561 -6.973 4.306 1.00 0.49 C ATOM 1007 CD GLU A 65 -13.561 -7.997 4.845 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -13.183 -8.765 5.715 1.00 0.96 O ATOM 1009 OE2 GLU A 65 -14.689 -7.997 4.378 1.00 0.71 O ATOM 0 H GLU A 65 -8.576 -7.841 3.498 1.00 0.02 H new ATOM 0 HA GLU A 65 -10.856 -6.296 2.284 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -11.505 -8.532 3.242 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -10.767 -8.089 4.768 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -12.345 -6.224 5.068 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -12.988 -6.446 3.453 1.00 0.49 H new ATOM 1016 N TYR A 66 -10.518 -4.392 3.868 1.00 0.02 N ATOM 1017 CA TYR A 66 -10.248 -3.216 4.749 1.00 0.02 C ATOM 1018 C TYR A 66 -11.597 -2.709 5.295 1.00 0.02 C ATOM 1019 O TYR A 66 -12.281 -1.959 4.623 1.00 0.02 O ATOM 1020 CB TYR A 66 -9.601 -2.121 3.898 1.00 0.01 C ATOM 1021 CG TYR A 66 -8.300 -2.642 3.335 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -8.298 -3.367 2.139 1.00 0.02 C ATOM 1023 CD2 TYR A 66 -7.099 -2.409 4.016 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -7.094 -3.857 1.621 1.00 0.02 C ATOM 1025 CE2 TYR A 66 -5.894 -2.901 3.497 1.00 0.02 C ATOM 1026 CZ TYR A 66 -5.892 -3.625 2.300 1.00 0.02 C ATOM 1027 OH TYR A 66 -4.706 -4.111 1.788 1.00 0.01 O ATOM 0 H TYR A 66 -11.135 -4.198 3.079 1.00 0.02 H new ATOM 0 HA TYR A 66 -9.588 -3.484 5.574 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -10.271 -1.827 3.090 1.00 0.01 H new ATOM 0 HB3 TYR A 66 -9.421 -1.232 4.502 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -9.225 -3.549 1.616 1.00 0.02 H new ATOM 0 HD2 TYR A 66 -7.101 -1.851 4.940 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -7.092 -4.415 0.696 1.00 0.02 H new ATOM 0 HE2 TYR A 66 -4.967 -2.721 4.021 1.00 0.02 H new ATOM 0 HH TYR A 66 -3.967 -3.861 2.381 1.00 0.01 H new ATOM 1037 N PRO A 67 -12.000 -3.116 6.488 1.00 0.01 N ATOM 1038 CA PRO A 67 -13.310 -2.668 7.045 1.00 0.02 C ATOM 1039 C PRO A 67 -13.370 -1.160 7.342 1.00 0.02 C ATOM 1040 O PRO A 67 -14.410 -0.646 7.701 1.00 0.02 O ATOM 1041 CB PRO A 67 -13.441 -3.503 8.339 1.00 0.02 C ATOM 1042 CG PRO A 67 -12.196 -4.407 8.468 1.00 0.02 C ATOM 1043 CD PRO A 67 -11.209 -4.045 7.343 1.00 0.01 C ATOM 0 HA PRO A 67 -14.124 -2.819 6.336 1.00 0.02 H new ATOM 0 HB2 PRO A 67 -13.524 -2.847 9.206 1.00 0.02 H new ATOM 0 HB3 PRO A 67 -14.347 -4.108 8.309 1.00 0.02 H new ATOM 0 HG2 PRO A 67 -11.727 -4.269 9.442 1.00 0.02 H new ATOM 0 HG3 PRO A 67 -12.481 -5.457 8.398 1.00 0.02 H new ATOM 0 HD2 PRO A 67 -10.310 -3.568 7.733 1.00 0.01 H new ATOM 0 HD3 PRO A 67 -10.887 -4.927 6.790 1.00 0.01 H new ATOM 1051 N GLU A 68 -12.291 -0.440 7.183 1.00 0.01 N ATOM 1052 CA GLU A 68 -12.339 1.029 7.447 1.00 0.01 C ATOM 1053 C GLU A 68 -11.192 1.689 6.679 1.00 0.03 C ATOM 1054 O GLU A 68 -10.212 1.064 6.332 1.00 0.02 O ATOM 1055 CB GLU A 68 -12.164 1.307 8.945 1.00 0.69 C ATOM 1056 CG GLU A 68 -13.403 0.839 9.713 1.00 1.09 C ATOM 1057 CD GLU A 68 -13.386 1.434 11.123 1.00 1.35 C ATOM 1058 OE1 GLU A 68 -13.345 2.649 11.232 1.00 1.55 O ATOM 1059 OE2 GLU A 68 -13.413 0.666 12.071 1.00 2.02 O ATOM 0 H GLU A 68 -11.385 -0.801 6.884 1.00 0.01 H new ATOM 0 HA GLU A 68 -13.302 1.428 7.127 1.00 0.01 H new ATOM 0 HB2 GLU A 68 -11.279 0.792 9.318 1.00 0.69 H new ATOM 0 HB3 GLU A 68 -12.005 2.373 9.109 1.00 0.69 H new ATOM 0 HG2 GLU A 68 -14.307 1.147 9.188 1.00 1.09 H new ATOM 0 HG3 GLU A 68 -13.421 -0.250 9.767 1.00 1.09 H new ATOM 1066 N TYR A 69 -11.344 2.945 6.371 1.00 0.02 N ATOM 1067 CA TYR A 69 -10.308 3.654 5.569 1.00 0.02 C ATOM 1068 C TYR A 69 -8.946 3.661 6.268 1.00 0.01 C ATOM 1069 O TYR A 69 -7.915 3.527 5.634 1.00 0.01 O ATOM 1070 CB TYR A 69 -10.780 5.083 5.275 1.00 0.02 C ATOM 1071 CG TYR A 69 -10.793 5.891 6.552 1.00 0.02 C ATOM 1072 CD1 TYR A 69 -11.838 5.730 7.471 1.00 0.02 C ATOM 1073 CD2 TYR A 69 -9.767 6.807 6.813 1.00 0.02 C ATOM 1074 CE1 TYR A 69 -11.854 6.482 8.652 1.00 0.02 C ATOM 1075 CE2 TYR A 69 -9.783 7.559 7.995 1.00 0.02 C ATOM 1076 CZ TYR A 69 -10.826 7.397 8.914 1.00 0.02 C ATOM 1077 OH TYR A 69 -10.842 8.139 10.078 1.00 0.01 O ATOM 0 H TYR A 69 -12.145 3.515 6.641 1.00 0.02 H new ATOM 0 HA TYR A 69 -10.175 3.116 4.630 1.00 0.02 H new ATOM 0 HB2 TYR A 69 -10.120 5.551 4.545 1.00 0.02 H new ATOM 0 HB3 TYR A 69 -11.778 5.063 4.836 1.00 0.02 H new ATOM 0 HD1 TYR A 69 -12.631 5.026 7.269 1.00 0.02 H new ATOM 0 HD2 TYR A 69 -8.963 6.934 6.103 1.00 0.02 H new ATOM 0 HE1 TYR A 69 -12.659 6.357 9.361 1.00 0.02 H new ATOM 0 HE2 TYR A 69 -8.990 8.264 8.197 1.00 0.02 H new ATOM 0 HH TYR A 69 -10.056 8.724 10.104 1.00 0.01 H new ATOM 1087 N GLN A 70 -8.926 3.821 7.563 1.00 0.01 N ATOM 1088 CA GLN A 70 -7.630 3.836 8.302 1.00 0.02 C ATOM 1089 C GLN A 70 -6.888 2.508 8.102 1.00 0.01 C ATOM 1090 O GLN A 70 -5.683 2.428 8.232 1.00 0.02 O ATOM 1091 CB GLN A 70 -7.904 4.030 9.795 1.00 0.01 C ATOM 1092 CG GLN A 70 -8.806 5.247 9.995 1.00 0.01 C ATOM 1093 CD GLN A 70 -9.089 5.433 11.487 1.00 0.02 C ATOM 1094 OE1 GLN A 70 -8.876 4.440 12.308 1.00 0.01 O flip ATOM 1095 NE2 GLN A 70 -9.509 6.491 11.911 1.00 0.02 N flip ATOM 0 H GLN A 70 -9.755 3.943 8.144 1.00 0.01 H new ATOM 0 HA GLN A 70 -7.016 4.652 7.921 1.00 0.02 H new ATOM 0 HB2 GLN A 70 -8.380 3.140 10.207 1.00 0.01 H new ATOM 0 HB3 GLN A 70 -6.966 4.167 10.333 1.00 0.01 H new ATOM 0 HG2 GLN A 70 -8.326 6.139 9.591 1.00 0.01 H new ATOM 0 HG3 GLN A 70 -9.741 5.113 9.451 1.00 0.01 H new ATOM 0 HE21 GLN A 70 -9.676 7.267 11.270 1.00 0.02 H new ATOM 0 HE22 GLN A 70 -9.695 6.603 12.908 1.00 0.02 H new ATOM 1104 N ARG A 71 -7.613 1.467 7.782 1.00 0.01 N ATOM 1105 CA ARG A 71 -6.966 0.141 7.566 1.00 0.02 C ATOM 1106 C ARG A 71 -6.163 0.183 6.265 1.00 0.01 C ATOM 1107 O ARG A 71 -5.287 -0.623 6.027 1.00 0.02 O ATOM 1108 CB ARG A 71 -8.038 -0.951 7.480 1.00 0.34 C ATOM 1109 CG ARG A 71 -8.826 -1.018 8.803 1.00 0.72 C ATOM 1110 CD ARG A 71 -8.078 -1.888 9.821 1.00 1.04 C ATOM 1111 NE ARG A 71 -8.918 -2.049 11.042 1.00 1.67 N ATOM 1112 CZ ARG A 71 -8.620 -2.967 11.920 1.00 2.47 C ATOM 1113 NH1 ARG A 71 -7.586 -3.740 11.731 1.00 2.54 N ATOM 1114 NH2 ARG A 71 -9.356 -3.115 12.989 1.00 3.42 N ATOM 0 H ARG A 71 -8.626 1.479 7.661 1.00 0.01 H new ATOM 0 HA ARG A 71 -6.300 -0.082 8.400 1.00 0.02 H new ATOM 0 HB2 ARG A 71 -8.716 -0.742 6.653 1.00 0.34 H new ATOM 0 HB3 ARG A 71 -7.572 -1.915 7.275 1.00 0.34 H new ATOM 0 HG2 ARG A 71 -8.964 -0.014 9.204 1.00 0.72 H new ATOM 0 HG3 ARG A 71 -9.819 -1.429 8.623 1.00 0.72 H new ATOM 0 HD2 ARG A 71 -7.854 -2.863 9.388 1.00 1.04 H new ATOM 0 HD3 ARG A 71 -7.125 -1.427 10.080 1.00 1.04 H new ATOM 0 HE ARG A 71 -9.724 -1.442 11.191 1.00 1.67 H new ATOM 0 HH11 ARG A 71 -7.010 -3.627 10.897 1.00 2.54 H new ATOM 0 HH12 ARG A 71 -7.353 -4.458 12.418 1.00 2.54 H new ATOM 0 HH21 ARG A 71 -10.165 -2.512 13.138 1.00 3.42 H new ATOM 0 HH22 ARG A 71 -9.121 -3.833 13.674 1.00 3.42 H new ATOM 1128 N TRP A 72 -6.471 1.137 5.426 1.00 0.02 N ATOM 1129 CA TRP A 72 -5.760 1.288 4.121 1.00 0.01 C ATOM 1130 C TRP A 72 -4.862 2.526 4.228 1.00 0.01 C ATOM 1131 O TRP A 72 -4.289 2.992 3.263 1.00 0.02 O ATOM 1132 CB TRP A 72 -6.840 1.438 3.023 1.00 0.02 C ATOM 1133 CG TRP A 72 -6.382 2.301 1.887 1.00 0.01 C ATOM 1134 CD1 TRP A 72 -5.336 2.035 1.072 1.00 0.01 C ATOM 1135 CD2 TRP A 72 -6.954 3.558 1.422 1.00 0.02 C ATOM 1136 NE1 TRP A 72 -5.230 3.051 0.138 1.00 0.02 N ATOM 1137 CE2 TRP A 72 -6.205 4.013 0.315 1.00 0.02 C ATOM 1138 CE3 TRP A 72 -8.041 4.339 1.855 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 -6.522 5.203 -0.343 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 -8.363 5.536 1.195 1.00 0.02 C ATOM 1141 CH2 TRP A 72 -7.605 5.967 0.098 1.00 0.02 C ATOM 0 H TRP A 72 -7.199 1.831 5.593 1.00 0.02 H new ATOM 0 HA TRP A 72 -5.133 0.432 3.872 1.00 0.01 H new ATOM 0 HB2 TRP A 72 -7.107 0.452 2.642 1.00 0.02 H new ATOM 0 HB3 TRP A 72 -7.742 1.866 3.460 1.00 0.02 H new ATOM 0 HD1 TRP A 72 -4.690 1.172 1.139 1.00 0.01 H new ATOM 0 HE1 TRP A 72 -4.518 3.085 -0.592 1.00 0.02 H new ATOM 0 HE3 TRP A 72 -8.631 4.016 2.700 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 -5.934 5.531 -1.187 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 -9.200 6.128 1.535 1.00 0.02 H new ATOM 0 HH2 TRP A 72 -7.858 6.888 -0.406 1.00 0.02 H new ATOM 1152 N MET A 73 -4.737 3.050 5.416 1.00 0.02 N ATOM 1153 CA MET A 73 -3.885 4.252 5.635 1.00 0.02 C ATOM 1154 C MET A 73 -4.406 5.435 4.809 1.00 0.01 C ATOM 1155 O MET A 73 -3.685 6.369 4.514 1.00 0.02 O ATOM 1156 CB MET A 73 -2.440 3.940 5.231 1.00 0.02 C ATOM 1157 CG MET A 73 -2.054 2.548 5.739 1.00 0.01 C ATOM 1158 SD MET A 73 -0.256 2.355 5.669 1.00 0.01 S ATOM 1159 CE MET A 73 -0.191 0.629 6.211 1.00 0.01 C ATOM 0 H MET A 73 -5.195 2.692 6.254 1.00 0.02 H new ATOM 0 HA MET A 73 -3.920 4.518 6.691 1.00 0.02 H new ATOM 0 HB2 MET A 73 -2.337 3.984 4.147 1.00 0.02 H new ATOM 0 HB3 MET A 73 -1.766 4.689 5.646 1.00 0.02 H new ATOM 0 HG2 MET A 73 -2.405 2.413 6.762 1.00 0.01 H new ATOM 0 HG3 MET A 73 -2.536 1.781 5.132 1.00 0.01 H new ATOM 0 HE1 MET A 73 0.846 0.296 6.241 1.00 0.01 H new ATOM 0 HE2 MET A 73 -0.628 0.543 7.206 1.00 0.01 H new ATOM 0 HE3 MET A 73 -0.752 0.007 5.513 1.00 0.01 H new ATOM 1169 N GLY A 74 -5.659 5.395 4.437 1.00 0.02 N ATOM 1170 CA GLY A 74 -6.231 6.510 3.632 1.00 0.02 C ATOM 1171 C GLY A 74 -6.116 7.812 4.419 1.00 0.01 C ATOM 1172 O GLY A 74 -6.295 7.836 5.621 1.00 0.01 O ATOM 0 H GLY A 74 -6.308 4.639 4.656 1.00 0.02 H new ATOM 0 HA2 GLY A 74 -5.702 6.597 2.683 1.00 0.02 H new ATOM 0 HA3 GLY A 74 -7.275 6.305 3.397 1.00 0.02 H new ATOM 1176 N LEU A 75 -5.862 8.906 3.753 1.00 0.02 N ATOM 1177 CA LEU A 75 -5.791 10.207 4.478 1.00 0.02 C ATOM 1178 C LEU A 75 -7.234 10.675 4.737 1.00 0.01 C ATOM 1179 O LEU A 75 -7.519 11.344 5.710 1.00 0.02 O ATOM 1180 CB LEU A 75 -5.008 11.254 3.650 1.00 0.55 C ATOM 1181 CG LEU A 75 -4.994 10.877 2.160 1.00 0.58 C ATOM 1182 CD1 LEU A 75 -6.431 10.821 1.603 1.00 0.98 C ATOM 1183 CD2 LEU A 75 -4.185 11.930 1.395 1.00 0.42 C ATOM 0 H LEU A 75 -5.702 8.956 2.747 1.00 0.02 H new ATOM 0 HA LEU A 75 -5.260 10.087 5.423 1.00 0.02 H new ATOM 0 HB2 LEU A 75 -5.462 12.237 3.776 1.00 0.55 H new ATOM 0 HB3 LEU A 75 -3.985 11.326 4.021 1.00 0.55 H new ATOM 0 HG LEU A 75 -4.541 9.893 2.040 1.00 0.58 H new ATOM 0 HD11 LEU A 75 -6.402 10.553 0.547 1.00 0.98 H new ATOM 0 HD12 LEU A 75 -7.005 10.074 2.151 1.00 0.98 H new ATOM 0 HD13 LEU A 75 -6.903 11.797 1.716 1.00 0.98 H new ATOM 0 HD21 LEU A 75 -4.166 11.675 0.335 1.00 0.42 H new ATOM 0 HD22 LEU A 75 -4.647 12.909 1.525 1.00 0.42 H new ATOM 0 HD23 LEU A 75 -3.166 11.956 1.780 1.00 0.42 H new ATOM 1195 N ASN A 76 -8.146 10.294 3.879 1.00 0.01 N ATOM 1196 CA ASN A 76 -9.578 10.656 4.041 1.00 0.02 C ATOM 1197 C ASN A 76 -10.374 9.638 3.219 1.00 0.02 C ATOM 1198 O ASN A 76 -9.818 8.670 2.740 1.00 0.02 O ATOM 1199 CB ASN A 76 -9.822 12.075 3.521 1.00 0.02 C ATOM 1200 CG ASN A 76 -9.083 13.079 4.409 1.00 0.02 C ATOM 1201 OD1 ASN A 76 -9.563 13.441 5.466 1.00 0.01 O ATOM 1202 ND2 ASN A 76 -7.929 13.547 4.022 1.00 0.02 N ATOM 0 H ASN A 76 -7.947 9.732 3.052 1.00 0.01 H new ATOM 0 HA ASN A 76 -9.880 10.636 5.088 1.00 0.02 H new ATOM 0 HB2 ASN A 76 -9.476 12.161 2.491 1.00 0.02 H new ATOM 0 HB3 ASN A 76 -10.890 12.294 3.517 1.00 0.02 H new ATOM 0 HD21 ASN A 76 -7.429 14.217 4.606 1.00 0.02 H new ATOM 0 HD22 ASN A 76 -7.527 13.243 3.135 1.00 0.02 H new ATOM 1209 N ASP A 77 -11.658 9.820 3.051 1.00 0.01 N ATOM 1210 CA ASP A 77 -12.454 8.823 2.261 1.00 0.01 C ATOM 1211 C ASP A 77 -12.655 9.315 0.826 1.00 0.01 C ATOM 1212 O ASP A 77 -13.650 9.003 0.201 1.00 0.01 O ATOM 1213 CB ASP A 77 -13.825 8.641 2.917 1.00 0.01 C ATOM 1214 CG ASP A 77 -14.430 10.013 3.225 1.00 0.01 C ATOM 1215 OD1 ASP A 77 -14.058 10.965 2.558 1.00 0.01 O ATOM 1216 OD2 ASP A 77 -15.254 10.088 4.120 1.00 0.02 O ATOM 0 H ASP A 77 -12.190 10.608 3.422 1.00 0.01 H new ATOM 0 HA ASP A 77 -11.912 7.877 2.242 1.00 0.01 H new ATOM 0 HB2 ASP A 77 -14.485 8.081 2.255 1.00 0.01 H new ATOM 0 HB3 ASP A 77 -13.727 8.061 3.835 1.00 0.01 H new ATOM 1221 N ARG A 78 -11.742 10.098 0.297 1.00 0.01 N ATOM 1222 CA ARG A 78 -11.916 10.621 -1.097 1.00 0.01 C ATOM 1223 C ARG A 78 -11.134 9.778 -2.114 1.00 0.02 C ATOM 1224 O ARG A 78 -9.929 9.652 -2.034 1.00 0.02 O ATOM 1225 CB ARG A 78 -11.433 12.071 -1.153 1.00 0.43 C ATOM 1226 CG ARG A 78 -12.160 12.892 -0.087 1.00 0.80 C ATOM 1227 CD ARG A 78 -11.925 14.381 -0.342 1.00 1.00 C ATOM 1228 NE ARG A 78 -12.714 14.814 -1.530 1.00 1.30 N ATOM 1229 CZ ARG A 78 -12.903 16.084 -1.759 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -12.399 16.975 -0.947 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -13.595 16.466 -2.797 1.00 3.20 N ATOM 0 H ARG A 78 -10.888 10.396 0.768 1.00 0.01 H new ATOM 0 HA ARG A 78 -12.973 10.565 -1.356 1.00 0.01 H new ATOM 0 HB2 ARG A 78 -10.356 12.113 -0.988 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -11.621 12.490 -2.141 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -13.227 12.672 -0.109 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -11.799 12.621 0.905 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -12.218 14.961 0.533 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -10.864 14.569 -0.509 1.00 1.00 H new ATOM 0 HE ARG A 78 -13.106 14.117 -2.164 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -11.858 16.677 -0.135 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -12.546 17.968 -1.125 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -13.989 15.771 -3.431 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -13.742 17.460 -2.974 1.00 3.20 H new ATOM 1245 N LEU A 79 -11.812 9.242 -3.096 1.00 0.01 N ATOM 1246 CA LEU A 79 -11.130 8.447 -4.169 1.00 0.01 C ATOM 1247 C LEU A 79 -11.833 8.769 -5.487 1.00 0.01 C ATOM 1248 O LEU A 79 -13.024 8.570 -5.622 1.00 0.02 O ATOM 1249 CB LEU A 79 -11.246 6.943 -3.886 1.00 1.04 C ATOM 1250 CG LEU A 79 -10.319 6.532 -2.726 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -10.469 5.024 -2.471 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -8.845 6.855 -3.066 1.00 2.61 C ATOM 0 H LEU A 79 -12.823 9.321 -3.204 1.00 0.01 H new ATOM 0 HA LEU A 79 -10.071 8.703 -4.209 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -12.278 6.693 -3.639 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -10.987 6.379 -4.782 1.00 1.04 H new ATOM 0 HG LEU A 79 -10.600 7.091 -1.834 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -9.815 4.727 -1.651 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -11.503 4.800 -2.210 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -10.195 4.474 -3.371 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -8.206 6.557 -2.234 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -8.551 6.310 -3.963 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -8.738 7.926 -3.241 1.00 2.61 H new ATOM 1264 N GLY A 80 -11.120 9.306 -6.449 1.00 0.02 N ATOM 1265 CA GLY A 80 -11.757 9.694 -7.747 1.00 0.02 C ATOM 1266 C GLY A 80 -11.364 8.753 -8.891 1.00 0.02 C ATOM 1267 O GLY A 80 -12.035 8.715 -9.904 1.00 0.01 O ATOM 0 H GLY A 80 -10.119 9.493 -6.390 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -12.841 9.691 -7.633 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -11.466 10.713 -8.002 1.00 0.02 H new ATOM 1271 N SER A 81 -10.301 7.992 -8.769 1.00 0.01 N ATOM 1272 CA SER A 81 -9.926 7.084 -9.903 1.00 0.01 C ATOM 1273 C SER A 81 -9.095 5.903 -9.402 1.00 0.02 C ATOM 1274 O SER A 81 -8.457 5.960 -8.369 1.00 0.01 O ATOM 1275 CB SER A 81 -9.121 7.874 -10.934 1.00 0.01 C ATOM 1276 OG SER A 81 -8.148 8.665 -10.267 1.00 0.01 O ATOM 0 H SER A 81 -9.689 7.959 -7.954 1.00 0.01 H new ATOM 0 HA SER A 81 -10.838 6.696 -10.357 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.635 7.192 -11.632 1.00 0.01 H new ATOM 0 HB3 SER A 81 -9.784 8.511 -11.519 1.00 0.01 H new ATOM 0 HG SER A 81 -8.520 9.553 -10.081 1.00 0.01 H new ATOM 1282 N CYS A 82 -9.103 4.820 -10.143 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.318 3.615 -9.726 1.00 0.01 C ATOM 1284 C CYS A 82 -7.775 2.875 -10.955 1.00 0.01 C ATOM 1285 O CYS A 82 -8.387 2.860 -12.004 1.00 0.01 O ATOM 1286 CB CYS A 82 -9.217 2.673 -8.923 1.00 0.01 C ATOM 1287 SG CYS A 82 -10.691 2.272 -9.895 1.00 0.02 S ATOM 0 H CYS A 82 -9.619 4.719 -11.017 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.478 3.940 -9.111 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -8.675 1.761 -8.672 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -9.505 3.142 -7.982 1.00 0.01 H new ATOM 0 HG CYS A 82 -10.368 2.170 -11.150 1.00 0.02 H new ATOM 1293 N ARG A 83 -6.631 2.249 -10.821 1.00 0.01 N ATOM 1294 CA ARG A 83 -6.031 1.490 -11.969 1.00 0.01 C ATOM 1295 C ARG A 83 -5.450 0.169 -11.455 1.00 0.01 C ATOM 1296 O ARG A 83 -4.908 0.094 -10.370 1.00 0.01 O ATOM 1297 CB ARG A 83 -4.884 2.296 -12.581 1.00 0.01 C ATOM 1298 CG ARG A 83 -5.429 3.586 -13.193 1.00 0.01 C ATOM 1299 CD ARG A 83 -4.357 4.223 -14.078 1.00 0.01 C ATOM 1300 NE ARG A 83 -4.198 3.419 -15.323 1.00 0.01 N ATOM 1301 CZ ARG A 83 -3.564 3.919 -16.348 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -3.066 5.124 -16.283 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -3.425 3.216 -17.438 1.00 0.01 N ATOM 0 H ARG A 83 -6.082 2.230 -9.962 1.00 0.01 H new ATOM 0 HA ARG A 83 -6.807 1.309 -12.713 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -4.143 2.530 -11.817 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -4.379 1.705 -13.345 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -6.322 3.373 -13.781 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -5.724 4.279 -12.405 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -4.637 5.247 -14.327 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -3.410 4.273 -13.541 1.00 0.01 H new ATOM 0 HE ARG A 83 -4.585 2.477 -15.374 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -3.172 5.675 -15.431 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -2.570 5.515 -17.084 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -3.812 2.274 -17.490 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -2.929 3.609 -18.238 1.00 0.01 H new ATOM 1317 N ALA A 84 -5.564 -0.879 -12.227 1.00 0.01 N ATOM 1318 CA ALA A 84 -5.023 -2.199 -11.788 1.00 0.01 C ATOM 1319 C ALA A 84 -3.507 -2.239 -12.009 1.00 0.01 C ATOM 1320 O ALA A 84 -3.007 -1.903 -13.064 1.00 0.00 O ATOM 1321 CB ALA A 84 -5.680 -3.313 -12.604 1.00 0.43 C ATOM 0 H ALA A 84 -6.009 -0.878 -13.145 1.00 0.01 H new ATOM 0 HA ALA A 84 -5.238 -2.340 -10.729 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -5.286 -4.278 -12.285 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -6.758 -3.291 -12.447 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -5.464 -3.165 -13.662 1.00 0.43 H new ATOM 1327 N VAL A 85 -2.777 -2.668 -11.012 1.00 0.01 N ATOM 1328 CA VAL A 85 -1.291 -2.765 -11.137 1.00 0.01 C ATOM 1329 C VAL A 85 -0.921 -4.159 -11.649 1.00 0.01 C ATOM 1330 O VAL A 85 -1.300 -5.157 -11.067 1.00 0.01 O ATOM 1331 CB VAL A 85 -0.646 -2.536 -9.769 1.00 0.98 C ATOM 1332 CG1 VAL A 85 0.867 -2.377 -9.933 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -1.225 -1.267 -9.142 1.00 1.12 C ATOM 0 H VAL A 85 -3.150 -2.958 -10.108 1.00 0.01 H new ATOM 0 HA VAL A 85 -0.932 -2.009 -11.835 1.00 0.01 H new ATOM 0 HB VAL A 85 -0.851 -3.391 -9.124 1.00 0.98 H new ATOM 0 HG11 VAL A 85 1.324 -2.214 -8.957 1.00 1.25 H new ATOM 0 HG12 VAL A 85 1.281 -3.280 -10.381 1.00 1.25 H new ATOM 0 HG13 VAL A 85 1.075 -1.523 -10.578 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -0.767 -1.101 -8.167 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -1.019 -0.415 -9.789 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -2.303 -1.379 -9.022 1.00 1.12 H new ATOM 1343 N HIS A 86 -0.182 -4.253 -12.724 1.00 0.01 N ATOM 1344 CA HIS A 86 0.206 -5.597 -13.252 1.00 0.01 C ATOM 1345 C HIS A 86 1.574 -5.985 -12.688 1.00 0.01 C ATOM 1346 O HIS A 86 2.509 -5.208 -12.704 1.00 0.00 O ATOM 1347 CB HIS A 86 0.288 -5.536 -14.779 1.00 0.21 C ATOM 1348 CG HIS A 86 -0.998 -4.984 -15.330 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -1.031 -3.884 -16.174 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -2.306 -5.368 -15.166 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -2.319 -3.648 -16.484 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -3.138 -4.524 -15.895 1.00 1.71 N ATOM 0 H HIS A 86 0.170 -3.459 -13.259 1.00 0.01 H new ATOM 0 HA HIS A 86 -0.537 -6.337 -12.954 1.00 0.01 H new ATOM 0 HB2 HIS A 86 1.125 -4.908 -15.084 1.00 0.21 H new ATOM 0 HB3 HIS A 86 0.472 -6.531 -15.184 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -2.639 -6.199 -14.562 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -2.650 -2.848 -17.130 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -4.155 -4.565 -15.965 1.00 1.71 H new ATOM 1360 N LEU A 87 1.693 -7.187 -12.187 1.00 0.01 N ATOM 1361 CA LEU A 87 2.992 -7.654 -11.611 1.00 0.01 C ATOM 1362 C LEU A 87 3.737 -8.470 -12.671 1.00 0.01 C ATOM 1363 O LEU A 87 3.146 -9.255 -13.386 1.00 0.01 O ATOM 1364 CB LEU A 87 2.700 -8.537 -10.384 1.00 0.67 C ATOM 1365 CG LEU A 87 1.482 -7.999 -9.626 1.00 1.25 C ATOM 1366 CD1 LEU A 87 1.257 -8.836 -8.365 1.00 1.63 C ATOM 1367 CD2 LEU A 87 1.727 -6.541 -9.230 1.00 1.34 C ATOM 0 H LEU A 87 0.939 -7.873 -12.151 1.00 0.01 H new ATOM 0 HA LEU A 87 3.604 -6.804 -11.311 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.517 -9.564 -10.701 1.00 0.67 H new ATOM 0 HB3 LEU A 87 3.568 -8.557 -9.725 1.00 0.67 H new ATOM 0 HG LEU A 87 0.602 -8.058 -10.267 1.00 1.25 H new ATOM 0 HD11 LEU A 87 0.391 -8.454 -7.825 1.00 1.63 H new ATOM 0 HD12 LEU A 87 1.082 -9.875 -8.644 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.138 -8.776 -7.726 1.00 1.63 H new ATOM 0 HD21 LEU A 87 0.860 -6.160 -8.691 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.607 -6.481 -8.590 1.00 1.34 H new ATOM 0 HD23 LEU A 87 1.889 -5.943 -10.127 1.00 1.34 H new ATOM 1379 N SER A 88 5.037 -8.303 -12.766 1.00 0.01 N ATOM 1380 CA SER A 88 5.848 -9.075 -13.758 1.00 0.01 C ATOM 1381 C SER A 88 6.772 -10.045 -13.017 1.00 0.01 C ATOM 1382 O SER A 88 7.533 -9.626 -12.167 1.00 0.01 O ATOM 1383 CB SER A 88 6.703 -8.113 -14.585 1.00 0.81 C ATOM 1384 OG SER A 88 7.663 -8.855 -15.326 1.00 1.08 O ATOM 0 H SER A 88 5.575 -7.656 -12.190 1.00 0.01 H new ATOM 0 HA SER A 88 5.177 -9.628 -14.415 1.00 0.01 H new ATOM 0 HB2 SER A 88 6.071 -7.537 -15.261 1.00 0.81 H new ATOM 0 HB3 SER A 88 7.204 -7.400 -13.931 1.00 0.81 H new ATOM 0 HG SER A 88 8.211 -8.241 -15.858 1.00 1.08 H new ATOM 1390 N SER A 89 6.775 -11.312 -13.346 1.00 0.01 N ATOM 1391 CA SER A 89 7.725 -12.257 -12.671 1.00 0.01 C ATOM 1392 C SER A 89 8.843 -12.542 -13.673 1.00 0.01 C ATOM 1393 O SER A 89 9.069 -11.747 -14.564 1.00 0.01 O ATOM 1394 CB SER A 89 6.996 -13.555 -12.321 1.00 0.43 C ATOM 1395 OG SER A 89 6.477 -14.138 -13.509 1.00 1.26 O ATOM 0 H SER A 89 6.166 -11.734 -14.048 1.00 0.01 H new ATOM 0 HA SER A 89 8.122 -11.831 -11.750 1.00 0.01 H new ATOM 0 HB2 SER A 89 7.679 -14.248 -11.831 1.00 0.43 H new ATOM 0 HB3 SER A 89 6.188 -13.353 -11.618 1.00 0.43 H new ATOM 0 HG SER A 89 6.011 -14.971 -13.288 1.00 1.26 H new ATOM 1401 N GLY A 90 9.522 -13.663 -13.596 1.00 0.01 N ATOM 1402 CA GLY A 90 10.583 -13.958 -14.616 1.00 0.00 C ATOM 1403 C GLY A 90 11.841 -14.590 -14.010 1.00 0.00 C ATOM 1404 O GLY A 90 12.287 -15.625 -14.463 1.00 0.01 O ATOM 0 H GLY A 90 9.391 -14.379 -12.881 1.00 0.01 H new ATOM 0 HA2 GLY A 90 10.175 -14.629 -15.372 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.857 -13.033 -15.124 1.00 0.00 H new ATOM 1408 N GLY A 91 12.428 -14.002 -12.998 1.00 0.00 N ATOM 1409 CA GLY A 91 13.648 -14.634 -12.421 1.00 0.00 C ATOM 1410 C GLY A 91 14.232 -13.812 -11.266 1.00 0.00 C ATOM 1411 O GLY A 91 13.746 -13.884 -10.155 1.00 0.01 O ATOM 0 H GLY A 91 12.124 -13.134 -12.557 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.404 -15.635 -12.066 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.401 -14.748 -13.201 1.00 0.00 H new ATOM 1415 N GLN A 92 15.285 -13.060 -11.500 1.00 1.80 N ATOM 1416 CA GLN A 92 15.919 -12.263 -10.390 1.00 2.31 C ATOM 1417 C GLN A 92 15.922 -10.770 -10.730 1.00 1.91 C ATOM 1418 O GLN A 92 16.502 -10.332 -11.704 1.00 2.31 O ATOM 1419 CB GLN A 92 17.352 -12.761 -10.189 1.00 2.11 C ATOM 1420 CG GLN A 92 17.909 -12.201 -8.879 1.00 2.86 C ATOM 1421 CD GLN A 92 17.266 -12.931 -7.698 1.00 3.70 C ATOM 1422 OE1 GLN A 92 16.555 -12.333 -6.914 1.00 3.99 O ATOM 1423 NE2 GLN A 92 17.486 -14.206 -7.538 1.00 4.43 N ATOM 0 H GLN A 92 15.734 -12.962 -12.410 1.00 1.80 H new ATOM 0 HA GLN A 92 15.345 -12.397 -9.473 1.00 2.31 H new ATOM 0 HB2 GLN A 92 17.370 -13.851 -10.167 1.00 2.11 H new ATOM 0 HB3 GLN A 92 17.977 -12.448 -11.025 1.00 2.11 H new ATOM 0 HG2 GLN A 92 18.992 -12.323 -8.850 1.00 2.86 H new ATOM 0 HG3 GLN A 92 17.707 -11.132 -8.813 1.00 2.86 H new ATOM 0 HE21 GLN A 92 18.083 -14.707 -8.196 1.00 4.43 H new ATOM 0 HE22 GLN A 92 17.061 -14.702 -6.755 1.00 4.43 H new ATOM 1432 N ALA A 93 15.264 -9.994 -9.910 1.00 0.01 N ATOM 1433 CA ALA A 93 15.213 -8.525 -10.162 1.00 0.01 C ATOM 1434 C ALA A 93 16.516 -7.877 -9.669 1.00 0.01 C ATOM 1435 O ALA A 93 16.942 -8.096 -8.552 1.00 0.01 O ATOM 1436 CB ALA A 93 14.022 -7.916 -9.415 1.00 2.99 C ATOM 0 H ALA A 93 14.762 -10.312 -9.081 1.00 0.01 H new ATOM 0 HA ALA A 93 15.098 -8.344 -11.231 1.00 0.01 H new ATOM 0 HB1 ALA A 93 13.987 -6.842 -9.600 1.00 2.99 H new ATOM 0 HB2 ALA A 93 13.098 -8.376 -9.767 1.00 2.99 H new ATOM 0 HB3 ALA A 93 14.133 -8.096 -8.346 1.00 2.99 H new ATOM 1442 N LYS A 94 17.150 -7.084 -10.498 1.00 0.00 N ATOM 1443 CA LYS A 94 18.433 -6.413 -10.102 1.00 0.01 C ATOM 1444 C LYS A 94 18.327 -4.916 -10.412 1.00 0.01 C ATOM 1445 O LYS A 94 17.726 -4.527 -11.392 1.00 0.01 O ATOM 1446 CB LYS A 94 19.570 -7.038 -10.912 1.00 2.49 C ATOM 1447 CG LYS A 94 20.903 -6.421 -10.482 1.00 3.43 C ATOM 1448 CD LYS A 94 22.058 -7.285 -10.995 1.00 4.11 C ATOM 1449 CE LYS A 94 22.073 -7.267 -12.526 1.00 5.23 C ATOM 1450 NZ LYS A 94 23.387 -7.775 -13.014 1.00 6.36 N ATOM 0 H LYS A 94 16.832 -6.869 -11.443 1.00 0.00 H new ATOM 0 HA LYS A 94 18.626 -6.543 -9.037 1.00 0.01 H new ATOM 0 HB2 LYS A 94 19.590 -8.117 -10.758 1.00 2.49 H new ATOM 0 HB3 LYS A 94 19.407 -6.871 -11.977 1.00 2.49 H new ATOM 0 HG2 LYS A 94 20.990 -5.408 -10.876 1.00 3.43 H new ATOM 0 HG3 LYS A 94 20.947 -6.346 -9.395 1.00 3.43 H new ATOM 0 HD2 LYS A 94 23.005 -6.910 -10.608 1.00 4.11 H new ATOM 0 HD3 LYS A 94 21.948 -8.308 -10.634 1.00 4.11 H new ATOM 0 HE2 LYS A 94 21.264 -7.885 -12.916 1.00 5.23 H new ATOM 0 HE3 LYS A 94 21.904 -6.254 -12.891 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 23.399 -7.764 -14.054 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 24.150 -7.168 -12.652 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 23.530 -8.748 -12.677 1.00 6.36 H new ATOM 1464 N ILE A 95 18.890 -4.069 -9.573 1.00 0.00 N ATOM 1465 CA ILE A 95 18.798 -2.585 -9.812 1.00 0.01 C ATOM 1466 C ILE A 95 20.191 -1.944 -9.745 1.00 0.01 C ATOM 1467 O ILE A 95 21.027 -2.316 -8.943 1.00 0.01 O ATOM 1468 CB ILE A 95 17.895 -1.970 -8.734 1.00 0.34 C ATOM 1469 CG1 ILE A 95 18.022 -0.441 -8.743 1.00 0.30 C ATOM 1470 CG2 ILE A 95 18.308 -2.503 -7.361 1.00 0.36 C ATOM 1471 CD1 ILE A 95 16.872 0.174 -7.942 1.00 1.09 C ATOM 0 H ILE A 95 19.407 -4.340 -8.737 1.00 0.00 H new ATOM 0 HA ILE A 95 18.382 -2.402 -10.803 1.00 0.01 H new ATOM 0 HB ILE A 95 16.860 -2.242 -8.942 1.00 0.34 H new ATOM 0 HG12 ILE A 95 18.978 -0.143 -8.313 1.00 0.30 H new ATOM 0 HG13 ILE A 95 18.004 -0.070 -9.768 1.00 0.30 H new ATOM 0 HG21 ILE A 95 17.668 -2.067 -6.594 1.00 0.36 H new ATOM 0 HG22 ILE A 95 18.205 -3.588 -7.346 1.00 0.36 H new ATOM 0 HG23 ILE A 95 19.346 -2.234 -7.163 1.00 0.36 H new ATOM 0 HD11 ILE A 95 16.964 1.260 -7.949 1.00 1.09 H new ATOM 0 HD12 ILE A 95 15.921 -0.113 -8.391 1.00 1.09 H new ATOM 0 HD13 ILE A 95 16.911 -0.186 -6.914 1.00 1.09 H new ATOM 1483 N GLN A 96 20.413 -0.936 -10.562 1.00 0.01 N ATOM 1484 CA GLN A 96 21.711 -0.188 -10.546 1.00 0.01 C ATOM 1485 C GLN A 96 21.392 1.288 -10.274 1.00 0.01 C ATOM 1486 O GLN A 96 20.485 1.836 -10.869 1.00 0.00 O ATOM 1487 CB GLN A 96 22.429 -0.337 -11.890 1.00 0.53 C ATOM 1488 CG GLN A 96 21.459 -0.043 -13.029 1.00 0.82 C ATOM 1489 CD GLN A 96 22.162 -0.260 -14.370 1.00 1.25 C ATOM 1490 OE1 GLN A 96 21.572 -0.770 -15.302 1.00 1.75 O ATOM 1491 NE2 GLN A 96 23.405 0.111 -14.508 1.00 2.05 N ATOM 0 H GLN A 96 19.738 -0.597 -11.248 1.00 0.01 H new ATOM 0 HA GLN A 96 22.369 -0.585 -9.773 1.00 0.01 H new ATOM 0 HB2 GLN A 96 23.277 0.346 -11.937 1.00 0.53 H new ATOM 0 HB3 GLN A 96 22.827 -1.347 -11.990 1.00 0.53 H new ATOM 0 HG2 GLN A 96 20.587 -0.693 -12.955 1.00 0.82 H new ATOM 0 HG3 GLN A 96 21.099 0.983 -12.958 1.00 0.82 H new ATOM 0 HE21 GLN A 96 23.899 0.539 -13.725 1.00 2.05 H new ATOM 0 HE22 GLN A 96 23.882 -0.027 -15.399 1.00 2.05 H new ATOM 1500 N VAL A 97 22.106 1.943 -9.385 1.00 0.01 N ATOM 1501 CA VAL A 97 21.811 3.389 -9.089 1.00 0.01 C ATOM 1502 C VAL A 97 23.073 4.230 -9.290 1.00 0.01 C ATOM 1503 O VAL A 97 24.177 3.779 -9.054 1.00 0.01 O ATOM 1504 CB VAL A 97 21.343 3.521 -7.636 1.00 0.77 C ATOM 1505 CG1 VAL A 97 19.952 2.901 -7.480 1.00 1.10 C ATOM 1506 CG2 VAL A 97 22.333 2.800 -6.720 1.00 1.03 C ATOM 0 H VAL A 97 22.878 1.542 -8.852 1.00 0.01 H new ATOM 0 HA VAL A 97 21.032 3.743 -9.764 1.00 0.01 H new ATOM 0 HB VAL A 97 21.295 4.576 -7.365 1.00 0.77 H new ATOM 0 HG11 VAL A 97 19.625 2.998 -6.445 1.00 1.10 H new ATOM 0 HG12 VAL A 97 19.248 3.417 -8.133 1.00 1.10 H new ATOM 0 HG13 VAL A 97 19.991 1.846 -7.751 1.00 1.10 H new ATOM 0 HG21 VAL A 97 22.004 2.891 -5.685 1.00 1.03 H new ATOM 0 HG22 VAL A 97 22.381 1.746 -6.994 1.00 1.03 H new ATOM 0 HG23 VAL A 97 23.321 3.248 -6.828 1.00 1.03 H new ATOM 1516 N PHE A 98 22.908 5.450 -9.752 1.00 0.01 N ATOM 1517 CA PHE A 98 24.088 6.345 -10.009 1.00 0.01 C ATOM 1518 C PHE A 98 24.011 7.613 -9.149 1.00 0.01 C ATOM 1519 O PHE A 98 22.954 8.163 -8.906 1.00 0.01 O ATOM 1520 CB PHE A 98 24.105 6.735 -11.487 1.00 0.25 C ATOM 1521 CG PHE A 98 24.405 5.513 -12.325 1.00 0.36 C ATOM 1522 CD1 PHE A 98 23.396 4.578 -12.583 1.00 0.42 C ATOM 1523 CD2 PHE A 98 25.690 5.320 -12.849 1.00 0.58 C ATOM 1524 CE1 PHE A 98 23.672 3.448 -13.363 1.00 0.56 C ATOM 1525 CE2 PHE A 98 25.965 4.191 -13.628 1.00 0.73 C ATOM 1526 CZ PHE A 98 24.957 3.254 -13.886 1.00 0.69 C ATOM 0 H PHE A 98 22.002 5.867 -9.963 1.00 0.01 H new ATOM 0 HA PHE A 98 25.000 5.807 -9.749 1.00 0.01 H new ATOM 0 HB2 PHE A 98 23.143 7.159 -11.774 1.00 0.25 H new ATOM 0 HB3 PHE A 98 24.857 7.504 -11.663 1.00 0.25 H new ATOM 0 HD1 PHE A 98 22.405 4.728 -12.181 1.00 0.42 H new ATOM 0 HD2 PHE A 98 26.468 6.043 -12.652 1.00 0.58 H new ATOM 0 HE1 PHE A 98 22.894 2.726 -13.561 1.00 0.56 H new ATOM 0 HE2 PHE A 98 26.956 4.042 -14.031 1.00 0.73 H new ATOM 0 HZ PHE A 98 25.170 2.383 -14.488 1.00 0.69 H new ATOM 1536 N GLU A 99 25.144 8.047 -8.663 1.00 0.01 N ATOM 1537 CA GLU A 99 25.190 9.250 -7.780 1.00 0.01 C ATOM 1538 C GLU A 99 24.818 10.534 -8.540 1.00 0.01 C ATOM 1539 O GLU A 99 24.281 11.454 -7.956 1.00 0.01 O ATOM 1540 CB GLU A 99 26.602 9.399 -7.201 1.00 0.01 C ATOM 1541 CG GLU A 99 26.694 10.691 -6.380 1.00 0.01 C ATOM 1542 CD GLU A 99 27.922 10.638 -5.470 1.00 0.01 C ATOM 1543 OE1 GLU A 99 28.150 9.598 -4.874 1.00 0.01 O ATOM 1544 OE2 GLU A 99 28.616 11.639 -5.384 1.00 0.02 O ATOM 0 H GLU A 99 26.050 7.614 -8.842 1.00 0.01 H new ATOM 0 HA GLU A 99 24.460 9.108 -6.983 1.00 0.01 H new ATOM 0 HB2 GLU A 99 26.840 8.541 -6.573 1.00 0.01 H new ATOM 0 HB3 GLU A 99 27.335 9.417 -8.007 1.00 0.01 H new ATOM 0 HG2 GLU A 99 26.759 11.552 -7.045 1.00 0.01 H new ATOM 0 HG3 GLU A 99 25.792 10.818 -5.782 1.00 0.01 H new ATOM 1551 N LYS A 100 25.101 10.619 -9.823 1.00 0.01 N ATOM 1552 CA LYS A 100 24.762 11.867 -10.595 1.00 0.01 C ATOM 1553 C LYS A 100 23.731 11.560 -11.684 1.00 0.01 C ATOM 1554 O LYS A 100 23.459 10.419 -12.004 1.00 0.01 O ATOM 1555 CB LYS A 100 26.023 12.438 -11.242 1.00 0.94 C ATOM 1556 CG LYS A 100 27.060 12.742 -10.160 1.00 1.63 C ATOM 1557 CD LYS A 100 28.411 13.033 -10.816 1.00 2.19 C ATOM 1558 CE LYS A 100 29.365 13.629 -9.779 1.00 2.84 C ATOM 1559 NZ LYS A 100 28.946 15.023 -9.462 1.00 3.18 N ATOM 0 H LYS A 100 25.550 9.883 -10.368 1.00 0.01 H new ATOM 0 HA LYS A 100 24.343 12.597 -9.902 1.00 0.01 H new ATOM 0 HB2 LYS A 100 26.430 11.726 -11.961 1.00 0.94 H new ATOM 0 HB3 LYS A 100 25.782 13.346 -11.794 1.00 0.94 H new ATOM 0 HG2 LYS A 100 26.741 13.598 -9.565 1.00 1.63 H new ATOM 0 HG3 LYS A 100 27.149 11.896 -9.479 1.00 1.63 H new ATOM 0 HD2 LYS A 100 28.832 12.116 -11.228 1.00 2.19 H new ATOM 0 HD3 LYS A 100 28.282 13.726 -11.647 1.00 2.19 H new ATOM 0 HE2 LYS A 100 29.361 13.022 -8.874 1.00 2.84 H new ATOM 0 HE3 LYS A 100 30.385 13.623 -10.162 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 29.755 15.549 -9.073 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 28.613 15.491 -10.329 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 28.177 15.004 -8.762 1.00 3.18 H new ATOM 1573 N GLY A 101 23.166 12.591 -12.254 1.00 0.01 N ATOM 1574 CA GLY A 101 22.138 12.412 -13.320 1.00 0.01 C ATOM 1575 C GLY A 101 22.755 11.795 -14.574 1.00 0.00 C ATOM 1576 O GLY A 101 23.956 11.785 -14.762 1.00 0.01 O ATOM 0 H GLY A 101 23.376 13.562 -12.023 1.00 0.01 H new ATOM 0 HA2 GLY A 101 21.335 11.773 -12.953 1.00 0.01 H new ATOM 0 HA3 GLY A 101 21.692 13.376 -13.566 1.00 0.01 H new ATOM 1580 N ASP A 102 21.914 11.297 -15.441 1.00 0.01 N ATOM 1581 CA ASP A 102 22.387 10.685 -16.714 1.00 0.00 C ATOM 1582 C ASP A 102 23.374 9.552 -16.441 1.00 0.00 C ATOM 1583 O ASP A 102 24.334 9.356 -17.160 1.00 0.01 O ATOM 1584 CB ASP A 102 23.058 11.757 -17.573 1.00 0.01 C ATOM 1585 CG ASP A 102 22.198 13.023 -17.573 1.00 0.01 C ATOM 1586 OD1 ASP A 102 20.993 12.897 -17.709 1.00 0.01 O ATOM 1587 OD2 ASP A 102 22.761 14.097 -17.435 1.00 0.01 O ATOM 0 H ASP A 102 20.902 11.289 -15.317 1.00 0.01 H new ATOM 0 HA ASP A 102 21.528 10.271 -17.242 1.00 0.00 H new ATOM 0 HB2 ASP A 102 24.052 11.980 -17.185 1.00 0.01 H new ATOM 0 HB3 ASP A 102 23.188 11.393 -18.592 1.00 0.01 H new ATOM 1592 N PHE A 103 23.116 8.781 -15.420 1.00 0.01 N ATOM 1593 CA PHE A 103 23.995 7.624 -15.097 1.00 0.01 C ATOM 1594 C PHE A 103 25.459 8.055 -14.999 1.00 0.00 C ATOM 1595 O PHE A 103 26.316 7.506 -15.664 1.00 0.01 O ATOM 1596 CB PHE A 103 23.849 6.567 -16.194 1.00 0.01 C ATOM 1597 CG PHE A 103 22.389 6.408 -16.546 1.00 0.00 C ATOM 1598 CD1 PHE A 103 21.574 5.563 -15.783 1.00 0.01 C ATOM 1599 CD2 PHE A 103 21.849 7.106 -17.633 1.00 0.01 C ATOM 1600 CE1 PHE A 103 20.220 5.418 -16.105 1.00 0.01 C ATOM 1601 CE2 PHE A 103 20.495 6.960 -17.955 1.00 0.01 C ATOM 1602 CZ PHE A 103 19.680 6.116 -17.191 1.00 0.01 C ATOM 0 H PHE A 103 22.324 8.906 -14.789 1.00 0.01 H new ATOM 0 HA PHE A 103 23.694 7.215 -14.132 1.00 0.01 H new ATOM 0 HB2 PHE A 103 24.417 6.862 -17.076 1.00 0.01 H new ATOM 0 HB3 PHE A 103 24.258 5.616 -15.854 1.00 0.01 H new ATOM 0 HD1 PHE A 103 21.991 5.023 -14.946 1.00 0.01 H new ATOM 0 HD2 PHE A 103 22.477 7.757 -18.223 1.00 0.01 H new ATOM 0 HE1 PHE A 103 19.592 4.767 -15.515 1.00 0.01 H new ATOM 0 HE2 PHE A 103 20.078 7.499 -18.793 1.00 0.01 H new ATOM 0 HZ PHE A 103 18.635 6.004 -17.440 1.00 0.01 H new ATOM 1612 N ASN A 104 25.759 9.015 -14.157 1.00 0.00 N ATOM 1613 CA ASN A 104 27.179 9.468 -13.988 1.00 0.01 C ATOM 1614 C ASN A 104 27.509 9.468 -12.495 1.00 0.01 C ATOM 1615 O ASN A 104 26.630 9.384 -11.660 1.00 0.01 O ATOM 1616 CB ASN A 104 27.340 10.884 -14.549 1.00 1.68 C ATOM 1617 CG ASN A 104 27.427 10.824 -16.075 1.00 2.31 C ATOM 1618 OD1 ASN A 104 27.087 9.824 -16.676 1.00 3.15 O ATOM 1619 ND2 ASN A 104 27.869 11.860 -16.732 1.00 2.38 N ATOM 0 H ASN A 104 25.080 9.507 -13.577 1.00 0.00 H new ATOM 0 HA ASN A 104 27.852 8.798 -14.523 1.00 0.01 H new ATOM 0 HB2 ASN A 104 26.496 11.504 -14.247 1.00 1.68 H new ATOM 0 HB3 ASN A 104 28.238 11.348 -14.141 1.00 1.68 H new ATOM 0 HD21 ASN A 104 27.929 11.831 -17.750 1.00 2.38 H new ATOM 0 HD22 ASN A 104 28.155 12.700 -16.228 1.00 2.38 H new ATOM 1626 N GLY A 105 28.765 9.553 -12.140 1.00 0.01 N ATOM 1627 CA GLY A 105 29.135 9.552 -10.692 1.00 0.01 C ATOM 1628 C GLY A 105 29.419 8.119 -10.246 1.00 0.01 C ATOM 1629 O GLY A 105 29.602 7.236 -11.059 1.00 0.01 O ATOM 0 H GLY A 105 29.549 9.623 -12.788 1.00 0.01 H new ATOM 0 HA2 GLY A 105 30.013 10.177 -10.528 1.00 0.01 H new ATOM 0 HA3 GLY A 105 28.326 9.977 -10.098 1.00 0.01 H new ATOM 1633 N GLN A 106 29.443 7.870 -8.966 1.00 0.01 N ATOM 1634 CA GLN A 106 29.695 6.484 -8.490 1.00 0.01 C ATOM 1635 C GLN A 106 28.427 5.657 -8.699 1.00 0.01 C ATOM 1636 O GLN A 106 27.322 6.150 -8.574 1.00 0.01 O ATOM 1637 CB GLN A 106 30.051 6.514 -7.003 1.00 0.01 C ATOM 1638 CG GLN A 106 30.420 5.104 -6.536 1.00 0.01 C ATOM 1639 CD GLN A 106 30.947 5.163 -5.100 1.00 0.01 C ATOM 1640 OE1 GLN A 106 31.825 4.409 -4.730 1.00 0.01 O ATOM 1641 NE2 GLN A 106 30.443 6.035 -4.269 1.00 0.01 N ATOM 0 H GLN A 106 29.299 8.564 -8.233 1.00 0.01 H new ATOM 0 HA GLN A 106 30.521 6.041 -9.046 1.00 0.01 H new ATOM 0 HB2 GLN A 106 30.885 7.195 -6.832 1.00 0.01 H new ATOM 0 HB3 GLN A 106 29.208 6.891 -6.424 1.00 0.01 H new ATOM 0 HG2 GLN A 106 29.548 4.452 -6.588 1.00 0.01 H new ATOM 0 HG3 GLN A 106 31.176 4.677 -7.195 1.00 0.01 H new ATOM 0 HE21 GLN A 106 29.706 6.668 -4.579 1.00 0.01 H new ATOM 0 HE22 GLN A 106 30.786 6.083 -3.310 1.00 0.01 H new ATOM 1650 N MET A 107 28.590 4.403 -9.037 1.00 0.01 N ATOM 1651 CA MET A 107 27.411 3.513 -9.279 1.00 0.01 C ATOM 1652 C MET A 107 27.402 2.374 -8.259 1.00 0.01 C ATOM 1653 O MET A 107 28.428 1.828 -7.910 1.00 0.01 O ATOM 1654 CB MET A 107 27.511 2.917 -10.686 1.00 0.00 C ATOM 1655 CG MET A 107 26.184 2.248 -11.058 1.00 0.01 C ATOM 1656 SD MET A 107 26.446 1.132 -12.457 1.00 0.01 S ATOM 1657 CE MET A 107 26.908 -0.332 -11.498 1.00 0.01 C ATOM 0 H MET A 107 29.497 3.953 -9.157 1.00 0.01 H new ATOM 0 HA MET A 107 26.495 4.096 -9.182 1.00 0.01 H new ATOM 0 HB2 MET A 107 27.750 3.699 -11.407 1.00 0.00 H new ATOM 0 HB3 MET A 107 28.321 2.188 -10.726 1.00 0.00 H new ATOM 0 HG2 MET A 107 25.792 1.694 -10.205 1.00 0.01 H new ATOM 0 HG3 MET A 107 25.442 3.004 -11.316 1.00 0.01 H new ATOM 0 HE1 MET A 107 27.118 -1.160 -12.176 1.00 0.01 H new ATOM 0 HE2 MET A 107 27.797 -0.114 -10.906 1.00 0.01 H new ATOM 0 HE3 MET A 107 26.088 -0.606 -10.834 1.00 0.01 H new ATOM 1667 N TYR A 108 26.232 2.001 -7.802 1.00 0.01 N ATOM 1668 CA TYR A 108 26.104 0.877 -6.822 1.00 0.00 C ATOM 1669 C TYR A 108 25.005 -0.068 -7.321 1.00 0.01 C ATOM 1670 O TYR A 108 23.970 0.358 -7.795 1.00 0.01 O ATOM 1671 CB TYR A 108 25.722 1.424 -5.443 1.00 0.54 C ATOM 1672 CG TYR A 108 26.935 2.046 -4.790 1.00 0.60 C ATOM 1673 CD1 TYR A 108 27.969 1.228 -4.318 1.00 1.24 C ATOM 1674 CD2 TYR A 108 27.027 3.438 -4.655 1.00 0.93 C ATOM 1675 CE1 TYR A 108 29.094 1.800 -3.711 1.00 1.76 C ATOM 1676 CE2 TYR A 108 28.153 4.009 -4.048 1.00 1.51 C ATOM 1677 CZ TYR A 108 29.185 3.190 -3.575 1.00 1.82 C ATOM 1678 OH TYR A 108 30.294 3.753 -2.977 1.00 2.48 O ATOM 0 H TYR A 108 25.348 2.434 -8.070 1.00 0.01 H new ATOM 0 HA TYR A 108 27.053 0.347 -6.736 1.00 0.00 H new ATOM 0 HB2 TYR A 108 24.929 2.166 -5.542 1.00 0.54 H new ATOM 0 HB3 TYR A 108 25.331 0.621 -4.818 1.00 0.54 H new ATOM 0 HD1 TYR A 108 27.899 0.155 -4.422 1.00 1.24 H new ATOM 0 HD2 TYR A 108 26.230 4.070 -5.019 1.00 0.93 H new ATOM 0 HE1 TYR A 108 29.891 1.169 -3.348 1.00 1.76 H new ATOM 0 HE2 TYR A 108 28.225 5.082 -3.945 1.00 1.51 H new ATOM 0 HH TYR A 108 31.089 3.566 -3.519 1.00 2.48 H new ATOM 1688 N GLU A 109 25.247 -1.353 -7.250 1.00 0.01 N ATOM 1689 CA GLU A 109 24.252 -2.361 -7.752 1.00 0.01 C ATOM 1690 C GLU A 109 23.780 -3.250 -6.602 1.00 0.01 C ATOM 1691 O GLU A 109 24.568 -3.722 -5.807 1.00 0.01 O ATOM 1692 CB GLU A 109 24.942 -3.209 -8.822 1.00 0.01 C ATOM 1693 CG GLU A 109 23.895 -4.026 -9.580 1.00 0.01 C ATOM 1694 CD GLU A 109 24.574 -4.815 -10.701 1.00 0.00 C ATOM 1695 OE1 GLU A 109 25.239 -5.791 -10.392 1.00 0.00 O ATOM 1696 OE2 GLU A 109 24.418 -4.431 -11.848 1.00 0.00 O ATOM 0 H GLU A 109 26.100 -1.755 -6.862 1.00 0.01 H new ATOM 0 HA GLU A 109 23.381 -1.857 -8.171 1.00 0.01 H new ATOM 0 HB2 GLU A 109 25.488 -2.567 -9.513 1.00 0.01 H new ATOM 0 HB3 GLU A 109 25.672 -3.873 -8.360 1.00 0.01 H new ATOM 0 HG2 GLU A 109 23.387 -4.708 -8.898 1.00 0.01 H new ATOM 0 HG3 GLU A 109 23.134 -3.365 -9.996 1.00 0.01 H new ATOM 1703 N THR A 110 22.488 -3.480 -6.497 1.00 0.01 N ATOM 1704 CA THR A 110 21.977 -4.337 -5.385 1.00 0.00 C ATOM 1705 C THR A 110 20.720 -5.107 -5.813 1.00 0.01 C ATOM 1706 O THR A 110 19.931 -4.663 -6.630 1.00 0.01 O ATOM 1707 CB THR A 110 21.640 -3.466 -4.171 1.00 1.21 C ATOM 1708 OG1 THR A 110 21.131 -4.286 -3.128 1.00 1.65 O ATOM 1709 CG2 THR A 110 20.589 -2.426 -4.564 1.00 1.69 C ATOM 0 H THR A 110 21.776 -3.113 -7.129 1.00 0.01 H new ATOM 0 HA THR A 110 22.757 -5.054 -5.127 1.00 0.00 H new ATOM 0 HB THR A 110 22.541 -2.957 -3.827 1.00 1.21 H new ATOM 0 HG1 THR A 110 20.917 -3.730 -2.350 1.00 1.65 H new ATOM 0 HG21 THR A 110 20.349 -1.806 -3.700 1.00 1.69 H new ATOM 0 HG22 THR A 110 20.980 -1.797 -5.364 1.00 1.69 H new ATOM 0 HG23 THR A 110 19.687 -2.932 -4.909 1.00 1.69 H new ATOM 1717 N THR A 111 20.552 -6.271 -5.241 1.00 0.00 N ATOM 1718 CA THR A 111 19.375 -7.142 -5.555 1.00 0.01 C ATOM 1719 C THR A 111 18.426 -7.210 -4.350 1.00 0.01 C ATOM 1720 O THR A 111 17.529 -8.029 -4.316 1.00 0.01 O ATOM 1721 CB THR A 111 19.871 -8.551 -5.888 1.00 0.01 C ATOM 1722 OG1 THR A 111 20.124 -9.258 -4.681 1.00 0.01 O ATOM 1723 CG2 THR A 111 21.158 -8.460 -6.707 1.00 0.01 C ATOM 0 H THR A 111 21.195 -6.665 -4.554 1.00 0.00 H new ATOM 0 HA THR A 111 18.837 -6.723 -6.405 1.00 0.01 H new ATOM 0 HB THR A 111 19.112 -9.077 -6.467 1.00 0.01 H new ATOM 0 HG1 THR A 111 20.440 -10.161 -4.891 1.00 0.01 H new ATOM 0 HG21 THR A 111 21.510 -9.464 -6.944 1.00 0.01 H new ATOM 0 HG22 THR A 111 20.963 -7.916 -7.632 1.00 0.01 H new ATOM 0 HG23 THR A 111 21.920 -7.935 -6.131 1.00 0.01 H new ATOM 1731 N GLU A 112 18.633 -6.385 -3.346 1.00 0.01 N ATOM 1732 CA GLU A 112 17.758 -6.437 -2.121 1.00 0.01 C ATOM 1733 C GLU A 112 17.058 -5.095 -1.862 1.00 0.01 C ATOM 1734 O GLU A 112 17.454 -4.063 -2.367 1.00 0.01 O ATOM 1735 CB GLU A 112 18.632 -6.778 -0.911 1.00 0.85 C ATOM 1736 CG GLU A 112 19.200 -8.188 -1.074 1.00 1.61 C ATOM 1737 CD GLU A 112 19.948 -8.587 0.200 1.00 2.51 C ATOM 1738 OE1 GLU A 112 20.487 -7.703 0.848 1.00 3.07 O ATOM 1739 OE2 GLU A 112 19.971 -9.767 0.507 1.00 3.21 O ATOM 0 H GLU A 112 19.368 -5.678 -3.320 1.00 0.01 H new ATOM 0 HA GLU A 112 16.990 -7.194 -2.282 1.00 0.01 H new ATOM 0 HB2 GLU A 112 19.443 -6.056 -0.820 1.00 0.85 H new ATOM 0 HB3 GLU A 112 18.044 -6.715 0.005 1.00 0.85 H new ATOM 0 HG2 GLU A 112 18.395 -8.895 -1.272 1.00 1.61 H new ATOM 0 HG3 GLU A 112 19.874 -8.224 -1.930 1.00 1.61 H new ATOM 1746 N ASP A 113 16.035 -5.111 -1.044 1.00 0.01 N ATOM 1747 CA ASP A 113 15.309 -3.851 -0.699 1.00 0.01 C ATOM 1748 C ASP A 113 16.251 -2.968 0.123 1.00 0.00 C ATOM 1749 O ASP A 113 17.160 -3.457 0.765 1.00 0.01 O ATOM 1750 CB ASP A 113 14.075 -4.192 0.144 1.00 0.01 C ATOM 1751 CG ASP A 113 14.441 -5.263 1.171 1.00 0.01 C ATOM 1752 OD1 ASP A 113 15.168 -4.944 2.097 1.00 0.00 O ATOM 1753 OD2 ASP A 113 13.987 -6.384 1.015 1.00 0.00 O ATOM 0 H ASP A 113 15.669 -5.951 -0.597 1.00 0.01 H new ATOM 0 HA ASP A 113 14.995 -3.334 -1.606 1.00 0.01 H new ATOM 0 HB2 ASP A 113 13.708 -3.299 0.649 1.00 0.01 H new ATOM 0 HB3 ASP A 113 13.270 -4.549 -0.498 1.00 0.01 H new ATOM 1758 N CYS A 114 16.022 -1.672 0.136 1.00 0.01 N ATOM 1759 CA CYS A 114 16.884 -0.751 0.950 1.00 0.01 C ATOM 1760 C CYS A 114 15.978 0.098 1.869 1.00 0.01 C ATOM 1761 O CYS A 114 15.238 0.929 1.373 1.00 0.01 O ATOM 1762 CB CYS A 114 17.642 0.187 0.011 1.00 0.01 C ATOM 1763 SG CYS A 114 18.920 1.071 0.942 1.00 0.01 S ATOM 0 H CYS A 114 15.274 -1.213 -0.383 1.00 0.01 H new ATOM 0 HA CYS A 114 17.588 -1.333 1.545 1.00 0.01 H new ATOM 0 HB2 CYS A 114 18.096 -0.382 -0.800 1.00 0.01 H new ATOM 0 HB3 CYS A 114 16.952 0.897 -0.445 1.00 0.01 H new ATOM 0 HG CYS A 114 20.025 0.387 0.918 1.00 0.01 H new ATOM 1769 N PRO A 115 16.027 -0.064 3.185 1.00 0.01 N ATOM 1770 CA PRO A 115 15.173 0.769 4.078 1.00 0.01 C ATOM 1771 C PRO A 115 15.731 2.192 4.224 1.00 0.01 C ATOM 1772 O PRO A 115 14.987 3.139 4.408 1.00 0.01 O ATOM 1773 CB PRO A 115 15.238 -0.003 5.406 1.00 0.01 C ATOM 1774 CG PRO A 115 16.465 -0.932 5.348 1.00 0.01 C ATOM 1775 CD PRO A 115 16.896 -1.066 3.875 1.00 0.01 C ATOM 0 HA PRO A 115 14.158 0.908 3.705 1.00 0.01 H new ATOM 0 HB2 PRO A 115 15.320 0.687 6.246 1.00 0.01 H new ATOM 0 HB3 PRO A 115 14.327 -0.582 5.557 1.00 0.01 H new ATOM 0 HG2 PRO A 115 17.279 -0.525 5.947 1.00 0.01 H new ATOM 0 HG3 PRO A 115 16.222 -1.910 5.764 1.00 0.01 H new ATOM 0 HD2 PRO A 115 17.955 -0.844 3.741 1.00 0.01 H new ATOM 0 HD3 PRO A 115 16.731 -2.074 3.495 1.00 0.01 H new ATOM 1783 N SER A 116 17.030 2.351 4.155 1.00 0.01 N ATOM 1784 CA SER A 116 17.637 3.711 4.296 1.00 0.02 C ATOM 1785 C SER A 116 18.809 3.838 3.318 1.00 0.01 C ATOM 1786 O SER A 116 19.848 3.220 3.475 1.00 0.00 O ATOM 1787 CB SER A 116 18.135 3.897 5.730 1.00 0.01 C ATOM 1788 OG SER A 116 17.104 3.528 6.637 1.00 0.01 O ATOM 0 H SER A 116 17.698 1.595 4.007 1.00 0.01 H new ATOM 0 HA SER A 116 16.893 4.476 4.074 1.00 0.02 H new ATOM 0 HB2 SER A 116 19.022 3.286 5.901 1.00 0.01 H new ATOM 0 HB3 SER A 116 18.426 4.935 5.895 1.00 0.01 H new ATOM 0 HG SER A 116 17.421 3.645 7.557 1.00 0.01 H new ATOM 1794 N ILE A 117 18.618 4.615 2.285 1.00 0.01 N ATOM 1795 CA ILE A 117 19.674 4.786 1.247 1.00 0.01 C ATOM 1796 C ILE A 117 20.919 5.446 1.840 1.00 0.01 C ATOM 1797 O ILE A 117 22.029 5.110 1.477 1.00 0.00 O ATOM 1798 CB ILE A 117 19.115 5.660 0.120 1.00 0.57 C ATOM 1799 CG1 ILE A 117 18.014 4.891 -0.611 1.00 1.44 C ATOM 1800 CG2 ILE A 117 20.227 6.016 -0.874 1.00 0.93 C ATOM 1801 CD1 ILE A 117 17.239 5.847 -1.516 1.00 1.83 C ATOM 0 H ILE A 117 17.763 5.145 2.115 1.00 0.01 H new ATOM 0 HA ILE A 117 19.960 3.807 0.863 1.00 0.01 H new ATOM 0 HB ILE A 117 18.711 6.578 0.546 1.00 0.57 H new ATOM 0 HG12 ILE A 117 18.450 4.086 -1.203 1.00 1.44 H new ATOM 0 HG13 ILE A 117 17.339 4.428 0.109 1.00 1.44 H new ATOM 0 HG21 ILE A 117 19.818 6.637 -1.671 1.00 0.93 H new ATOM 0 HG22 ILE A 117 21.016 6.562 -0.357 1.00 0.93 H new ATOM 0 HG23 ILE A 117 20.639 5.102 -1.302 1.00 0.93 H new ATOM 0 HD11 ILE A 117 16.454 5.299 -2.037 1.00 1.83 H new ATOM 0 HD12 ILE A 117 16.791 6.636 -0.913 1.00 1.83 H new ATOM 0 HD13 ILE A 117 17.918 6.289 -2.245 1.00 1.83 H new ATOM 1813 N MET A 118 20.753 6.400 2.716 1.00 0.02 N ATOM 1814 CA MET A 118 21.948 7.085 3.280 1.00 0.01 C ATOM 1815 C MET A 118 22.741 6.127 4.168 1.00 0.01 C ATOM 1816 O MET A 118 23.951 6.166 4.198 1.00 0.02 O ATOM 1817 CB MET A 118 21.525 8.313 4.091 1.00 0.24 C ATOM 1818 CG MET A 118 22.770 9.069 4.561 1.00 0.63 C ATOM 1819 SD MET A 118 22.275 10.651 5.286 1.00 1.20 S ATOM 1820 CE MET A 118 23.933 11.235 5.713 1.00 1.34 C ATOM 0 H MET A 118 19.852 6.731 3.061 1.00 0.02 H new ATOM 0 HA MET A 118 22.581 7.407 2.453 1.00 0.01 H new ATOM 0 HB2 MET A 118 20.899 8.965 3.483 1.00 0.24 H new ATOM 0 HB3 MET A 118 20.927 8.007 4.949 1.00 0.24 H new ATOM 0 HG2 MET A 118 23.314 8.475 5.295 1.00 0.63 H new ATOM 0 HG3 MET A 118 23.446 9.236 3.722 1.00 0.63 H new ATOM 0 HE1 MET A 118 23.863 12.216 6.183 1.00 1.34 H new ATOM 0 HE2 MET A 118 24.399 10.533 6.405 1.00 1.34 H new ATOM 0 HE3 MET A 118 24.537 11.308 4.809 1.00 1.34 H new ATOM 1830 N GLU A 119 22.092 5.271 4.899 1.00 0.01 N ATOM 1831 CA GLU A 119 22.853 4.341 5.775 1.00 0.02 C ATOM 1832 C GLU A 119 23.578 3.292 4.928 1.00 0.02 C ATOM 1833 O GLU A 119 24.675 2.874 5.246 1.00 0.01 O ATOM 1834 CB GLU A 119 21.886 3.639 6.731 1.00 0.30 C ATOM 1835 CG GLU A 119 22.675 2.966 7.855 1.00 0.99 C ATOM 1836 CD GLU A 119 21.721 2.164 8.742 1.00 1.69 C ATOM 1837 OE1 GLU A 119 20.645 1.830 8.274 1.00 2.11 O ATOM 1838 OE2 GLU A 119 22.083 1.898 9.877 1.00 2.07 O ATOM 0 H GLU A 119 21.077 5.174 4.930 1.00 0.01 H new ATOM 0 HA GLU A 119 23.589 4.910 6.343 1.00 0.02 H new ATOM 0 HB2 GLU A 119 21.183 4.360 7.148 1.00 0.30 H new ATOM 0 HB3 GLU A 119 21.299 2.897 6.190 1.00 0.30 H new ATOM 0 HG2 GLU A 119 23.437 2.309 7.435 1.00 0.99 H new ATOM 0 HG3 GLU A 119 23.195 3.718 8.449 1.00 0.99 H new ATOM 1845 N GLN A 120 22.947 2.815 3.891 1.00 0.00 N ATOM 1846 CA GLN A 120 23.570 1.735 3.066 1.00 0.01 C ATOM 1847 C GLN A 120 24.622 2.277 2.089 1.00 0.01 C ATOM 1848 O GLN A 120 25.687 1.708 1.944 1.00 0.01 O ATOM 1849 CB GLN A 120 22.472 1.020 2.277 1.00 0.52 C ATOM 1850 CG GLN A 120 23.023 -0.282 1.693 1.00 1.07 C ATOM 1851 CD GLN A 120 23.216 -1.302 2.816 1.00 1.08 C ATOM 1852 OE1 GLN A 120 22.339 -1.492 3.636 1.00 0.98 O ATOM 1853 NE2 GLN A 120 24.335 -1.970 2.890 1.00 2.08 N ATOM 0 H GLN A 120 22.027 3.124 3.577 1.00 0.00 H new ATOM 0 HA GLN A 120 24.077 1.049 3.744 1.00 0.01 H new ATOM 0 HB2 GLN A 120 21.623 0.808 2.927 1.00 0.52 H new ATOM 0 HB3 GLN A 120 22.108 1.664 1.476 1.00 0.52 H new ATOM 0 HG2 GLN A 120 22.337 -0.676 0.943 1.00 1.07 H new ATOM 0 HG3 GLN A 120 23.972 -0.095 1.190 1.00 1.07 H new ATOM 0 HE21 GLN A 120 25.071 -1.810 2.202 1.00 2.08 H new ATOM 0 HE22 GLN A 120 24.474 -2.652 3.636 1.00 2.08 H new ATOM 1862 N PHE A 121 24.304 3.325 1.369 1.00 0.02 N ATOM 1863 CA PHE A 121 25.259 3.852 0.333 1.00 0.01 C ATOM 1864 C PHE A 121 25.862 5.202 0.725 1.00 0.01 C ATOM 1865 O PHE A 121 26.639 5.769 -0.016 1.00 0.01 O ATOM 1866 CB PHE A 121 24.511 3.999 -0.991 1.00 0.01 C ATOM 1867 CG PHE A 121 23.833 2.693 -1.333 1.00 0.01 C ATOM 1868 CD1 PHE A 121 24.538 1.694 -2.018 1.00 0.01 C ATOM 1869 CD2 PHE A 121 22.499 2.479 -0.964 1.00 0.01 C ATOM 1870 CE1 PHE A 121 23.910 0.484 -2.332 1.00 0.01 C ATOM 1871 CE2 PHE A 121 21.872 1.269 -1.280 1.00 0.01 C ATOM 1872 CZ PHE A 121 22.576 0.272 -1.964 1.00 0.01 C ATOM 0 H PHE A 121 23.427 3.840 1.450 1.00 0.02 H new ATOM 0 HA PHE A 121 26.082 3.143 0.245 1.00 0.01 H new ATOM 0 HB2 PHE A 121 23.772 4.797 -0.917 1.00 0.01 H new ATOM 0 HB3 PHE A 121 25.204 4.280 -1.784 1.00 0.01 H new ATOM 0 HD1 PHE A 121 25.567 1.858 -2.304 1.00 0.01 H new ATOM 0 HD2 PHE A 121 21.955 3.248 -0.436 1.00 0.01 H new ATOM 0 HE1 PHE A 121 24.454 -0.286 -2.858 1.00 0.01 H new ATOM 0 HE2 PHE A 121 20.843 1.104 -0.996 1.00 0.01 H new ATOM 0 HZ PHE A 121 22.090 -0.661 -2.208 1.00 0.01 H new ATOM 1882 N HIS A 122 25.523 5.729 1.864 1.00 0.01 N ATOM 1883 CA HIS A 122 26.095 7.044 2.266 1.00 0.01 C ATOM 1884 C HIS A 122 25.726 8.097 1.218 1.00 0.01 C ATOM 1885 O HIS A 122 26.470 9.026 0.968 1.00 0.02 O ATOM 1886 CB HIS A 122 27.619 6.921 2.382 1.00 0.01 C ATOM 1887 CG HIS A 122 27.968 5.595 3.000 1.00 0.01 C ATOM 1888 ND1 HIS A 122 27.028 4.809 3.646 1.00 0.01 N ATOM 1889 CD2 HIS A 122 29.152 4.903 3.077 1.00 0.01 C ATOM 1890 CE1 HIS A 122 27.654 3.701 4.081 1.00 0.00 C ATOM 1891 NE2 HIS A 122 28.950 3.707 3.760 1.00 0.01 N ATOM 0 H HIS A 122 24.877 5.310 2.533 1.00 0.01 H new ATOM 0 HA HIS A 122 25.690 7.346 3.232 1.00 0.01 H new ATOM 0 HB2 HIS A 122 28.078 7.008 1.397 1.00 0.01 H new ATOM 0 HB3 HIS A 122 28.015 7.734 2.991 1.00 0.01 H new ATOM 0 HD2 HIS A 122 30.095 5.236 2.670 1.00 0.01 H new ATOM 0 HE1 HIS A 122 27.168 2.904 4.624 1.00 0.00 H new ATOM 0 HE2 HIS A 122 29.643 2.989 3.970 1.00 0.01 H new ATOM 1899 N LEU A 123 24.573 7.952 0.607 1.00 0.01 N ATOM 1900 CA LEU A 123 24.124 8.938 -0.436 1.00 0.01 C ATOM 1901 C LEU A 123 22.918 9.704 0.110 1.00 0.02 C ATOM 1902 O LEU A 123 22.017 9.132 0.692 1.00 0.01 O ATOM 1903 CB LEU A 123 23.717 8.183 -1.721 1.00 0.01 C ATOM 1904 CG LEU A 123 24.936 7.993 -2.649 1.00 0.01 C ATOM 1905 CD1 LEU A 123 24.677 6.833 -3.618 1.00 0.01 C ATOM 1906 CD2 LEU A 123 25.177 9.262 -3.476 1.00 0.01 C ATOM 0 H LEU A 123 23.919 7.190 0.785 1.00 0.01 H new ATOM 0 HA LEU A 123 24.933 9.629 -0.671 1.00 0.01 H new ATOM 0 HB2 LEU A 123 23.296 7.212 -1.461 1.00 0.01 H new ATOM 0 HB3 LEU A 123 22.938 8.738 -2.244 1.00 0.01 H new ATOM 0 HG LEU A 123 25.807 7.782 -2.029 1.00 0.01 H new ATOM 0 HD11 LEU A 123 25.541 6.704 -4.270 1.00 0.01 H new ATOM 0 HD12 LEU A 123 24.509 5.917 -3.052 1.00 0.01 H new ATOM 0 HD13 LEU A 123 23.796 7.053 -4.222 1.00 0.01 H new ATOM 0 HD21 LEU A 123 26.039 9.114 -4.126 1.00 0.01 H new ATOM 0 HD22 LEU A 123 24.297 9.473 -4.083 1.00 0.01 H new ATOM 0 HD23 LEU A 123 25.366 10.102 -2.807 1.00 0.01 H new ATOM 1918 N ARG A 124 22.895 11.000 -0.071 1.00 0.01 N ATOM 1919 CA ARG A 124 21.752 11.808 0.438 1.00 0.00 C ATOM 1920 C ARG A 124 20.675 11.937 -0.644 1.00 0.01 C ATOM 1921 O ARG A 124 19.523 12.198 -0.357 1.00 0.01 O ATOM 1922 CB ARG A 124 22.247 13.204 0.821 1.00 1.67 C ATOM 1923 CG ARG A 124 21.156 13.935 1.604 1.00 1.98 C ATOM 1924 CD ARG A 124 21.621 15.355 1.928 1.00 2.92 C ATOM 1925 NE ARG A 124 22.936 15.298 2.626 1.00 3.54 N ATOM 1926 CZ ARG A 124 23.664 16.377 2.737 1.00 4.57 C ATOM 1927 NH1 ARG A 124 23.241 17.506 2.239 1.00 5.25 N ATOM 1928 NH2 ARG A 124 24.816 16.325 3.347 1.00 5.32 N ATOM 0 H ARG A 124 23.621 11.532 -0.551 1.00 0.01 H new ATOM 0 HA ARG A 124 21.328 11.311 1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 124 23.152 13.128 1.423 1.00 1.67 H new ATOM 0 HB3 ARG A 124 22.506 13.768 -0.075 1.00 1.67 H new ATOM 0 HG2 ARG A 124 20.235 13.967 1.021 1.00 1.98 H new ATOM 0 HG3 ARG A 124 20.932 13.396 2.525 1.00 1.98 H new ATOM 0 HD2 ARG A 124 21.708 15.939 1.012 1.00 2.92 H new ATOM 0 HD3 ARG A 124 20.885 15.856 2.556 1.00 2.92 H new ATOM 0 HE ARG A 124 23.268 14.416 3.017 1.00 3.54 H new ATOM 0 HH11 ARG A 124 22.340 17.547 1.762 1.00 5.25 H new ATOM 0 HH12 ARG A 124 23.811 18.347 2.327 1.00 5.25 H new ATOM 0 HH21 ARG A 124 25.147 15.443 3.737 1.00 5.32 H new ATOM 0 HH22 ARG A 124 25.385 17.167 3.434 1.00 5.32 H new ATOM 1942 N GLU A 125 21.045 11.776 -1.892 1.00 0.01 N ATOM 1943 CA GLU A 125 20.051 11.912 -3.000 1.00 0.01 C ATOM 1944 C GLU A 125 20.443 11.010 -4.177 1.00 0.01 C ATOM 1945 O GLU A 125 21.569 10.566 -4.286 1.00 0.01 O ATOM 1946 CB GLU A 125 20.029 13.363 -3.483 1.00 0.01 C ATOM 1947 CG GLU A 125 19.589 14.275 -2.337 1.00 0.01 C ATOM 1948 CD GLU A 125 19.240 15.658 -2.889 1.00 0.02 C ATOM 1949 OE1 GLU A 125 18.169 15.794 -3.456 1.00 0.01 O ATOM 1950 OE2 GLU A 125 20.050 16.557 -2.737 1.00 0.02 O ATOM 0 H GLU A 125 21.995 11.556 -2.190 1.00 0.01 H new ATOM 0 HA GLU A 125 19.069 11.620 -2.629 1.00 0.01 H new ATOM 0 HB2 GLU A 125 21.018 13.655 -3.835 1.00 0.01 H new ATOM 0 HB3 GLU A 125 19.347 13.466 -4.327 1.00 0.01 H new ATOM 0 HG2 GLU A 125 18.725 13.846 -1.828 1.00 0.01 H new ATOM 0 HG3 GLU A 125 20.386 14.358 -1.598 1.00 0.01 H new ATOM 1957 N ILE A 126 19.522 10.770 -5.077 1.00 0.01 N ATOM 1958 CA ILE A 126 19.817 9.935 -6.287 1.00 0.01 C ATOM 1959 C ILE A 126 19.280 10.690 -7.508 1.00 0.01 C ATOM 1960 O ILE A 126 18.154 11.146 -7.507 1.00 0.01 O ATOM 1961 CB ILE A 126 19.123 8.571 -6.159 1.00 1.33 C ATOM 1962 CG1 ILE A 126 19.902 7.720 -5.148 1.00 1.49 C ATOM 1963 CG2 ILE A 126 19.107 7.862 -7.524 1.00 2.17 C ATOM 1964 CD1 ILE A 126 19.171 6.400 -4.897 1.00 1.70 C ATOM 0 H ILE A 126 18.566 11.121 -5.026 1.00 0.01 H new ATOM 0 HA ILE A 126 20.888 9.762 -6.387 1.00 0.01 H new ATOM 0 HB ILE A 126 18.096 8.709 -5.822 1.00 1.33 H new ATOM 0 HG12 ILE A 126 20.906 7.523 -5.524 1.00 1.49 H new ATOM 0 HG13 ILE A 126 20.014 8.266 -4.211 1.00 1.49 H new ATOM 0 HG21 ILE A 126 18.613 6.895 -7.426 1.00 2.17 H new ATOM 0 HG22 ILE A 126 18.566 8.474 -8.246 1.00 2.17 H new ATOM 0 HG23 ILE A 126 20.130 7.714 -7.869 1.00 2.17 H new ATOM 0 HD11 ILE A 126 19.733 5.804 -4.178 1.00 1.70 H new ATOM 0 HD12 ILE A 126 18.176 6.605 -4.500 1.00 1.70 H new ATOM 0 HD13 ILE A 126 19.082 5.850 -5.834 1.00 1.70 H new ATOM 1976 N HIS A 127 20.088 10.865 -8.532 1.00 0.01 N ATOM 1977 CA HIS A 127 19.624 11.644 -9.731 1.00 0.01 C ATOM 1978 C HIS A 127 19.345 10.746 -10.940 1.00 0.01 C ATOM 1979 O HIS A 127 18.733 11.169 -11.900 1.00 0.01 O ATOM 1980 CB HIS A 127 20.677 12.689 -10.110 1.00 0.02 C ATOM 1981 CG HIS A 127 20.757 13.736 -9.033 1.00 0.01 C ATOM 1982 ND1 HIS A 127 21.296 13.473 -7.783 1.00 0.01 N ATOM 1983 CD2 HIS A 127 20.368 15.052 -9.003 1.00 0.01 C ATOM 1984 CE1 HIS A 127 21.217 14.606 -7.061 1.00 0.01 C ATOM 1985 NE2 HIS A 127 20.660 15.599 -7.757 1.00 0.02 N ATOM 0 H HIS A 127 21.041 10.506 -8.590 1.00 0.01 H new ATOM 0 HA HIS A 127 18.688 12.129 -9.456 1.00 0.01 H new ATOM 0 HB2 HIS A 127 21.648 12.211 -10.240 1.00 0.02 H new ATOM 0 HB3 HIS A 127 20.419 13.151 -11.063 1.00 0.02 H new ATOM 0 HD2 HIS A 127 19.905 15.583 -9.822 1.00 0.01 H new ATOM 0 HE1 HIS A 127 21.562 14.700 -6.042 1.00 0.01 H new ATOM 0 HE2 HIS A 127 20.486 16.554 -7.443 1.00 0.02 H new ATOM 1993 N SER A 128 19.751 9.505 -10.898 1.00 0.01 N ATOM 1994 CA SER A 128 19.466 8.590 -12.039 1.00 0.01 C ATOM 1995 C SER A 128 19.571 7.145 -11.551 1.00 0.01 C ATOM 1996 O SER A 128 20.276 6.853 -10.603 1.00 0.01 O ATOM 1997 CB SER A 128 20.478 8.831 -13.159 1.00 0.01 C ATOM 1998 OG SER A 128 21.787 8.864 -12.608 1.00 0.01 O ATOM 0 H SER A 128 20.267 9.087 -10.124 1.00 0.01 H new ATOM 0 HA SER A 128 18.463 8.779 -12.422 1.00 0.01 H new ATOM 0 HB2 SER A 128 20.405 8.041 -13.907 1.00 0.01 H new ATOM 0 HB3 SER A 128 20.260 9.771 -13.666 1.00 0.01 H new ATOM 0 HG SER A 128 22.122 9.785 -12.616 1.00 0.01 H new ATOM 2004 N CYS A 129 18.871 6.240 -12.180 1.00 0.01 N ATOM 2005 CA CYS A 129 18.920 4.816 -11.746 1.00 0.01 C ATOM 2006 C CYS A 129 18.249 3.953 -12.815 1.00 0.00 C ATOM 2007 O CYS A 129 17.322 4.390 -13.468 1.00 0.01 O ATOM 2008 CB CYS A 129 18.179 4.660 -10.415 1.00 0.69 C ATOM 2009 SG CYS A 129 17.879 2.903 -10.088 1.00 1.22 S ATOM 0 H CYS A 129 18.265 6.427 -12.979 1.00 0.01 H new ATOM 0 HA CYS A 129 19.955 4.502 -11.614 1.00 0.01 H new ATOM 0 HB2 CYS A 129 18.767 5.095 -9.607 1.00 0.69 H new ATOM 0 HB3 CYS A 129 17.233 5.201 -10.448 1.00 0.69 H new ATOM 0 HG CYS A 129 19.008 2.258 -10.111 1.00 1.22 H new ATOM 2015 N LYS A 130 18.707 2.733 -13.006 1.00 0.01 N ATOM 2016 CA LYS A 130 18.085 1.845 -14.045 1.00 0.01 C ATOM 2017 C LYS A 130 17.558 0.568 -13.380 1.00 0.01 C ATOM 2018 O LYS A 130 18.299 -0.273 -12.901 1.00 0.01 O ATOM 2019 CB LYS A 130 19.131 1.487 -15.115 1.00 0.55 C ATOM 2020 CG LYS A 130 18.433 1.140 -16.437 1.00 0.80 C ATOM 2021 CD LYS A 130 19.422 0.438 -17.372 1.00 0.29 C ATOM 2022 CE LYS A 130 18.798 0.287 -18.760 1.00 0.33 C ATOM 2023 NZ LYS A 130 18.809 1.605 -19.455 1.00 1.41 N ATOM 0 H LYS A 130 19.481 2.317 -12.489 1.00 0.01 H new ATOM 0 HA LYS A 130 17.256 2.369 -14.520 1.00 0.01 H new ATOM 0 HB2 LYS A 130 19.813 2.324 -15.263 1.00 0.55 H new ATOM 0 HB3 LYS A 130 19.732 0.642 -14.779 1.00 0.55 H new ATOM 0 HG2 LYS A 130 17.575 0.495 -16.248 1.00 0.80 H new ATOM 0 HG3 LYS A 130 18.053 2.047 -16.908 1.00 0.80 H new ATOM 0 HD2 LYS A 130 20.346 1.013 -17.438 1.00 0.29 H new ATOM 0 HD3 LYS A 130 19.684 -0.541 -16.972 1.00 0.29 H new ATOM 0 HE2 LYS A 130 19.354 -0.448 -19.342 1.00 0.33 H new ATOM 0 HE3 LYS A 130 17.776 -0.082 -18.673 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 18.400 1.500 -20.405 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 18.247 2.289 -18.910 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 19.788 1.947 -19.535 1.00 1.41 H new ATOM 2037 N VAL A 131 16.263 0.446 -13.360 1.00 0.01 N ATOM 2038 CA VAL A 131 15.579 -0.738 -12.762 1.00 0.01 C ATOM 2039 C VAL A 131 14.914 -1.506 -13.905 1.00 0.01 C ATOM 2040 O VAL A 131 14.163 -0.927 -14.665 1.00 0.01 O ATOM 2041 CB VAL A 131 14.511 -0.253 -11.769 1.00 0.01 C ATOM 2042 CG1 VAL A 131 14.183 -1.369 -10.773 1.00 0.01 C ATOM 2043 CG2 VAL A 131 15.038 0.971 -11.013 1.00 0.01 C ATOM 0 H VAL A 131 15.626 1.142 -13.747 1.00 0.01 H new ATOM 0 HA VAL A 131 16.286 -1.377 -12.233 1.00 0.01 H new ATOM 0 HB VAL A 131 13.607 0.016 -12.315 1.00 0.01 H new ATOM 0 HG11 VAL A 131 13.425 -1.020 -10.072 1.00 0.01 H new ATOM 0 HG12 VAL A 131 13.805 -2.238 -11.312 1.00 0.01 H new ATOM 0 HG13 VAL A 131 15.084 -1.645 -10.226 1.00 0.01 H new ATOM 0 HG21 VAL A 131 14.282 1.317 -10.308 1.00 0.01 H new ATOM 0 HG22 VAL A 131 15.944 0.701 -10.470 1.00 0.01 H new ATOM 0 HG23 VAL A 131 15.264 1.767 -11.722 1.00 0.01 H new ATOM 2053 N VAL A 132 15.124 -2.798 -14.024 1.00 0.01 N ATOM 2054 CA VAL A 132 14.444 -3.571 -15.092 1.00 0.01 C ATOM 2055 C VAL A 132 13.797 -4.781 -14.432 1.00 0.00 C ATOM 2056 O VAL A 132 14.375 -5.841 -14.295 1.00 0.01 O ATOM 2057 CB VAL A 132 15.473 -4.037 -16.123 1.00 1.22 C ATOM 2058 CG1 VAL A 132 14.751 -4.602 -17.347 1.00 1.00 C ATOM 2059 CG2 VAL A 132 16.341 -2.850 -16.547 1.00 1.98 C ATOM 0 H VAL A 132 15.740 -3.343 -13.421 1.00 0.01 H new ATOM 0 HA VAL A 132 13.697 -2.960 -15.599 1.00 0.01 H new ATOM 0 HB VAL A 132 16.102 -4.811 -15.684 1.00 1.22 H new ATOM 0 HG11 VAL A 132 15.485 -4.934 -18.081 1.00 1.00 H new ATOM 0 HG12 VAL A 132 14.131 -5.447 -17.046 1.00 1.00 H new ATOM 0 HG13 VAL A 132 14.121 -3.829 -17.787 1.00 1.00 H new ATOM 0 HG21 VAL A 132 17.075 -3.180 -17.282 1.00 1.98 H new ATOM 0 HG22 VAL A 132 15.711 -2.077 -16.986 1.00 1.98 H new ATOM 0 HG23 VAL A 132 16.856 -2.446 -15.675 1.00 1.98 H new ATOM 2069 N GLU A 133 12.575 -4.605 -14.080 1.00 0.01 N ATOM 2070 CA GLU A 133 11.752 -5.685 -13.468 1.00 0.01 C ATOM 2071 C GLU A 133 10.324 -5.427 -13.931 1.00 0.01 C ATOM 2072 O GLU A 133 9.803 -6.118 -14.784 1.00 0.01 O ATOM 2073 CB GLU A 133 11.837 -5.618 -11.941 1.00 0.00 C ATOM 2074 CG GLU A 133 11.270 -6.906 -11.334 1.00 0.00 C ATOM 2075 CD GLU A 133 9.761 -6.970 -11.579 1.00 0.00 C ATOM 2076 OE1 GLU A 133 9.068 -6.081 -11.114 1.00 0.00 O ATOM 2077 OE2 GLU A 133 9.326 -7.907 -12.228 1.00 0.00 O ATOM 0 H GLU A 133 12.080 -3.720 -14.192 1.00 0.01 H new ATOM 0 HA GLU A 133 12.099 -6.674 -13.766 1.00 0.01 H new ATOM 0 HB2 GLU A 133 12.873 -5.484 -11.631 1.00 0.00 H new ATOM 0 HB3 GLU A 133 11.280 -4.756 -11.574 1.00 0.00 H new ATOM 0 HG2 GLU A 133 11.757 -7.774 -11.778 1.00 0.00 H new ATOM 0 HG3 GLU A 133 11.476 -6.937 -10.264 1.00 0.00 H new ATOM 2084 N GLY A 134 9.682 -4.437 -13.374 1.00 0.01 N ATOM 2085 CA GLY A 134 8.284 -4.135 -13.778 1.00 0.01 C ATOM 2086 C GLY A 134 7.586 -3.360 -12.658 1.00 0.01 C ATOM 2087 O GLY A 134 7.047 -2.294 -12.880 1.00 0.01 O ATOM 0 H GLY A 134 10.068 -3.824 -12.655 1.00 0.01 H new ATOM 0 HA2 GLY A 134 8.278 -3.550 -14.698 1.00 0.01 H new ATOM 0 HA3 GLY A 134 7.746 -5.060 -13.985 1.00 0.01 H new ATOM 2091 N THR A 135 7.577 -3.899 -11.458 1.00 0.01 N ATOM 2092 CA THR A 135 6.895 -3.209 -10.311 1.00 0.01 C ATOM 2093 C THR A 135 7.885 -2.892 -9.176 1.00 0.01 C ATOM 2094 O THR A 135 8.230 -3.744 -8.373 1.00 0.01 O ATOM 2095 CB THR A 135 5.791 -4.121 -9.778 1.00 1.43 C ATOM 2096 OG1 THR A 135 6.344 -5.389 -9.455 1.00 1.92 O ATOM 2097 CG2 THR A 135 4.700 -4.294 -10.838 1.00 2.30 C ATOM 0 H THR A 135 8.014 -4.790 -11.223 1.00 0.01 H new ATOM 0 HA THR A 135 6.480 -2.267 -10.669 1.00 0.01 H new ATOM 0 HB THR A 135 5.353 -3.673 -8.886 1.00 1.43 H new ATOM 0 HG1 THR A 135 7.187 -5.265 -8.971 1.00 1.92 H new ATOM 0 HG21 THR A 135 3.917 -4.945 -10.451 1.00 2.30 H new ATOM 0 HG22 THR A 135 4.274 -3.321 -11.084 1.00 2.30 H new ATOM 0 HG23 THR A 135 5.131 -4.739 -11.735 1.00 2.30 H new ATOM 2105 N TRP A 136 8.316 -1.656 -9.095 1.00 0.01 N ATOM 2106 CA TRP A 136 9.258 -1.218 -8.010 1.00 0.01 C ATOM 2107 C TRP A 136 8.669 0.040 -7.369 1.00 0.01 C ATOM 2108 O TRP A 136 8.084 0.858 -8.052 1.00 0.00 O ATOM 2109 CB TRP A 136 10.641 -0.904 -8.606 1.00 0.01 C ATOM 2110 CG TRP A 136 11.435 -2.165 -8.717 1.00 0.01 C ATOM 2111 CD1 TRP A 136 11.118 -3.211 -9.508 1.00 0.01 C ATOM 2112 CD2 TRP A 136 12.661 -2.529 -8.024 1.00 0.01 C ATOM 2113 NE1 TRP A 136 12.073 -4.199 -9.345 1.00 0.00 N ATOM 2114 CE2 TRP A 136 13.045 -3.824 -8.440 1.00 0.01 C ATOM 2115 CE3 TRP A 136 13.469 -1.866 -7.084 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 14.191 -4.442 -7.938 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 14.622 -2.486 -6.579 1.00 0.01 C ATOM 2118 CH2 TRP A 136 14.983 -3.771 -7.006 1.00 0.01 C ATOM 0 H TRP A 136 8.051 -0.917 -9.746 1.00 0.01 H new ATOM 0 HA TRP A 136 9.379 -2.007 -7.268 1.00 0.01 H new ATOM 0 HB2 TRP A 136 10.529 -0.445 -9.588 1.00 0.01 H new ATOM 0 HB3 TRP A 136 11.166 -0.186 -7.976 1.00 0.01 H new ATOM 0 HD1 TRP A 136 10.260 -3.268 -10.161 1.00 0.01 H new ATOM 0 HE1 TRP A 136 12.060 -5.094 -9.834 1.00 0.00 H new ATOM 0 HE3 TRP A 136 13.201 -0.875 -6.749 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 14.463 -5.433 -8.269 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 15.236 -1.969 -5.856 1.00 0.01 H new ATOM 0 HH2 TRP A 136 15.873 -4.241 -6.614 1.00 0.01 H new ATOM 2129 N ILE A 137 8.825 0.228 -6.072 1.00 0.01 N ATOM 2130 CA ILE A 137 8.274 1.461 -5.416 1.00 0.00 C ATOM 2131 C ILE A 137 9.382 2.214 -4.674 1.00 0.01 C ATOM 2132 O ILE A 137 10.231 1.631 -4.027 1.00 0.01 O ATOM 2133 CB ILE A 137 7.196 1.081 -4.395 1.00 0.60 C ATOM 2134 CG1 ILE A 137 6.034 0.385 -5.112 1.00 1.32 C ATOM 2135 CG2 ILE A 137 6.683 2.354 -3.711 1.00 1.37 C ATOM 2136 CD1 ILE A 137 5.036 -0.175 -4.087 1.00 1.69 C ATOM 0 H ILE A 137 9.307 -0.417 -5.446 1.00 0.01 H new ATOM 0 HA ILE A 137 7.851 2.093 -6.197 1.00 0.00 H new ATOM 0 HB ILE A 137 7.617 0.406 -3.650 1.00 0.60 H new ATOM 0 HG12 ILE A 137 5.530 1.090 -5.773 1.00 1.32 H new ATOM 0 HG13 ILE A 137 6.415 -0.422 -5.738 1.00 1.32 H new ATOM 0 HG21 ILE A 137 5.915 2.092 -2.983 1.00 1.37 H new ATOM 0 HG22 ILE A 137 7.509 2.853 -3.204 1.00 1.37 H new ATOM 0 HG23 ILE A 137 6.259 3.024 -4.459 1.00 1.37 H new ATOM 0 HD11 ILE A 137 4.215 -0.667 -4.609 1.00 1.69 H new ATOM 0 HD12 ILE A 137 5.541 -0.896 -3.444 1.00 1.69 H new ATOM 0 HD13 ILE A 137 4.643 0.640 -3.479 1.00 1.69 H new ATOM 2148 N PHE A 138 9.340 3.517 -4.748 1.00 0.01 N ATOM 2149 CA PHE A 138 10.337 4.375 -4.036 1.00 0.01 C ATOM 2150 C PHE A 138 9.575 5.159 -2.966 1.00 0.01 C ATOM 2151 O PHE A 138 8.450 5.552 -3.185 1.00 0.00 O ATOM 2152 CB PHE A 138 10.984 5.338 -5.032 1.00 1.11 C ATOM 2153 CG PHE A 138 11.941 4.568 -5.914 1.00 1.11 C ATOM 2154 CD1 PHE A 138 13.241 4.307 -5.468 1.00 1.46 C ATOM 2155 CD2 PHE A 138 11.530 4.112 -7.172 1.00 1.54 C ATOM 2156 CE1 PHE A 138 14.131 3.591 -6.276 1.00 2.01 C ATOM 2157 CE2 PHE A 138 12.421 3.395 -7.981 1.00 2.35 C ATOM 2158 CZ PHE A 138 13.721 3.135 -7.534 1.00 2.49 C ATOM 0 H PHE A 138 8.643 4.035 -5.283 1.00 0.01 H new ATOM 0 HA PHE A 138 11.123 3.772 -3.582 1.00 0.01 H new ATOM 0 HB2 PHE A 138 10.219 5.821 -5.639 1.00 1.11 H new ATOM 0 HB3 PHE A 138 11.515 6.128 -4.501 1.00 1.11 H new ATOM 0 HD1 PHE A 138 13.558 4.659 -4.498 1.00 1.46 H new ATOM 0 HD2 PHE A 138 10.527 4.313 -7.519 1.00 1.54 H new ATOM 0 HE1 PHE A 138 15.134 3.390 -5.929 1.00 2.01 H new ATOM 0 HE2 PHE A 138 12.104 3.042 -8.951 1.00 2.35 H new ATOM 0 HZ PHE A 138 14.407 2.583 -8.159 1.00 2.49 H new ATOM 2168 N TYR A 139 10.167 5.396 -1.814 1.00 0.01 N ATOM 2169 CA TYR A 139 9.458 6.165 -0.734 1.00 0.01 C ATOM 2170 C TYR A 139 10.292 7.388 -0.345 1.00 0.01 C ATOM 2171 O TYR A 139 11.509 7.364 -0.393 1.00 0.01 O ATOM 2172 CB TYR A 139 9.263 5.273 0.495 1.00 0.01 C ATOM 2173 CG TYR A 139 8.612 3.969 0.087 1.00 0.01 C ATOM 2174 CD1 TYR A 139 9.350 3.007 -0.613 1.00 0.01 C ATOM 2175 CD2 TYR A 139 7.274 3.719 0.416 1.00 0.01 C ATOM 2176 CE1 TYR A 139 8.751 1.797 -0.984 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.675 2.509 0.043 1.00 0.02 C ATOM 2178 CZ TYR A 139 7.414 1.548 -0.657 1.00 0.02 C ATOM 2179 OH TYR A 139 6.825 0.354 -1.023 1.00 0.00 O ATOM 0 H TYR A 139 11.110 5.090 -1.575 1.00 0.01 H new ATOM 0 HA TYR A 139 8.485 6.488 -1.104 1.00 0.01 H new ATOM 0 HB2 TYR A 139 10.225 5.077 0.969 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.643 5.784 1.232 1.00 0.01 H new ATOM 0 HD1 TYR A 139 10.382 3.198 -0.867 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.704 4.459 0.957 1.00 0.01 H new ATOM 0 HE1 TYR A 139 9.322 1.055 -1.523 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.643 2.317 0.296 1.00 0.02 H new ATOM 0 HH TYR A 139 5.894 0.342 -0.718 1.00 0.00 H new ATOM 2189 N GLU A 140 9.641 8.476 -0.019 1.00 0.01 N ATOM 2190 CA GLU A 140 10.373 9.737 0.304 1.00 0.02 C ATOM 2191 C GLU A 140 11.031 9.680 1.688 1.00 0.01 C ATOM 2192 O GLU A 140 12.040 10.320 1.903 1.00 0.01 O ATOM 2193 CB GLU A 140 9.356 10.878 0.283 1.00 0.01 C ATOM 2194 CG GLU A 140 10.091 12.219 0.338 1.00 0.02 C ATOM 2195 CD GLU A 140 9.091 13.361 0.151 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.019 13.285 0.729 1.00 0.01 O ATOM 2197 OE2 GLU A 140 9.412 14.293 -0.568 1.00 0.02 O ATOM 0 H GLU A 140 8.625 8.544 0.037 1.00 0.01 H new ATOM 0 HA GLU A 140 11.166 9.884 -0.430 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.749 10.821 -0.620 1.00 0.01 H new ATOM 0 HB3 GLU A 140 8.676 10.789 1.130 1.00 0.01 H new ATOM 0 HG2 GLU A 140 10.604 12.325 1.294 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.854 12.259 -0.440 1.00 0.02 H new ATOM 2204 N LEU A 141 10.484 8.945 2.635 1.00 0.01 N ATOM 2205 CA LEU A 141 11.109 8.891 4.003 1.00 0.02 C ATOM 2206 C LEU A 141 11.592 7.452 4.283 1.00 0.01 C ATOM 2207 O LEU A 141 11.067 6.506 3.723 1.00 0.01 O ATOM 2208 CB LEU A 141 10.041 9.293 5.041 1.00 0.57 C ATOM 2209 CG LEU A 141 9.971 10.830 5.171 1.00 0.81 C ATOM 2210 CD1 LEU A 141 8.604 11.239 5.728 1.00 1.48 C ATOM 2211 CD2 LEU A 141 11.066 11.339 6.122 1.00 1.24 C ATOM 0 H LEU A 141 9.639 8.385 2.522 1.00 0.01 H new ATOM 0 HA LEU A 141 11.959 9.571 4.061 1.00 0.02 H new ATOM 0 HB2 LEU A 141 9.068 8.902 4.742 1.00 0.57 H new ATOM 0 HB3 LEU A 141 10.279 8.850 6.008 1.00 0.57 H new ATOM 0 HG LEU A 141 10.119 11.267 4.183 1.00 0.81 H new ATOM 0 HD11 LEU A 141 8.558 12.324 5.819 1.00 1.48 H new ATOM 0 HD12 LEU A 141 7.819 10.897 5.053 1.00 1.48 H new ATOM 0 HD13 LEU A 141 8.461 10.787 6.709 1.00 1.48 H new ATOM 0 HD21 LEU A 141 11.003 12.424 6.202 1.00 1.24 H new ATOM 0 HD22 LEU A 141 10.928 10.894 7.107 1.00 1.24 H new ATOM 0 HD23 LEU A 141 12.045 11.061 5.732 1.00 1.24 H new ATOM 2223 N PRO A 142 12.579 7.276 5.147 1.00 0.01 N ATOM 2224 CA PRO A 142 13.097 5.913 5.462 1.00 0.01 C ATOM 2225 C PRO A 142 11.996 4.958 5.941 1.00 0.01 C ATOM 2226 O PRO A 142 10.897 5.349 6.282 1.00 0.01 O ATOM 2227 CB PRO A 142 14.131 6.186 6.578 1.00 0.01 C ATOM 2228 CG PRO A 142 14.084 7.686 6.930 1.00 0.02 C ATOM 2229 CD PRO A 142 13.250 8.406 5.859 1.00 0.01 C ATOM 0 HA PRO A 142 13.518 5.416 4.588 1.00 0.01 H new ATOM 0 HB2 PRO A 142 13.907 5.583 7.458 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.131 5.906 6.245 1.00 0.01 H new ATOM 0 HG2 PRO A 142 13.643 7.831 7.916 1.00 0.02 H new ATOM 0 HG3 PRO A 142 15.092 8.099 6.968 1.00 0.02 H new ATOM 0 HD2 PRO A 142 12.527 9.091 6.302 1.00 0.01 H new ATOM 0 HD3 PRO A 142 13.875 8.993 5.187 1.00 0.01 H new ATOM 2237 N ASN A 143 12.333 3.700 5.984 1.00 0.01 N ATOM 2238 CA ASN A 143 11.382 2.656 6.456 1.00 0.01 C ATOM 2239 C ASN A 143 10.119 2.625 5.594 1.00 0.01 C ATOM 2240 O ASN A 143 9.048 2.275 6.048 1.00 0.01 O ATOM 2241 CB ASN A 143 10.991 2.949 7.908 1.00 0.23 C ATOM 2242 CG ASN A 143 12.241 3.314 8.711 1.00 0.11 C ATOM 2243 OD1 ASN A 143 13.080 2.474 8.967 1.00 0.75 O ATOM 2244 ND2 ASN A 143 12.399 4.542 9.124 1.00 0.56 N ATOM 0 H ASN A 143 13.248 3.344 5.706 1.00 0.01 H new ATOM 0 HA ASN A 143 11.874 1.686 6.381 1.00 0.01 H new ATOM 0 HB2 ASN A 143 10.272 3.767 7.944 1.00 0.23 H new ATOM 0 HB3 ASN A 143 10.505 2.078 8.348 1.00 0.23 H new ATOM 0 HD21 ASN A 143 13.227 4.797 9.662 1.00 0.56 H new ATOM 0 HD22 ASN A 143 11.694 5.247 8.909 1.00 0.56 H new ATOM 2251 N TYR A 144 10.252 2.951 4.338 1.00 0.01 N ATOM 2252 CA TYR A 144 9.086 2.906 3.409 1.00 0.02 C ATOM 2253 C TYR A 144 7.943 3.801 3.911 1.00 0.01 C ATOM 2254 O TYR A 144 6.811 3.372 4.010 1.00 0.01 O ATOM 2255 CB TYR A 144 8.600 1.450 3.288 1.00 0.01 C ATOM 2256 CG TYR A 144 9.781 0.514 3.457 1.00 0.01 C ATOM 2257 CD1 TYR A 144 10.864 0.592 2.573 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.799 -0.421 4.502 1.00 0.01 C ATOM 2259 CE1 TYR A 144 11.963 -0.261 2.731 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.899 -1.275 4.660 1.00 0.01 C ATOM 2261 CZ TYR A 144 11.982 -1.195 3.775 1.00 0.01 C ATOM 2262 OH TYR A 144 13.063 -2.036 3.932 1.00 0.01 O ATOM 0 H TYR A 144 11.128 3.250 3.910 1.00 0.01 H new ATOM 0 HA TYR A 144 9.397 3.279 2.433 1.00 0.02 H new ATOM 0 HB2 TYR A 144 7.845 1.242 4.046 1.00 0.01 H new ATOM 0 HB3 TYR A 144 8.130 1.290 2.317 1.00 0.01 H new ATOM 0 HD1 TYR A 144 10.852 1.312 1.768 1.00 0.01 H new ATOM 0 HD2 TYR A 144 8.965 -0.483 5.185 1.00 0.01 H new ATOM 0 HE1 TYR A 144 12.797 -0.199 2.047 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.912 -1.995 5.465 1.00 0.01 H new ATOM 0 HH TYR A 144 12.914 -2.620 4.705 1.00 0.01 H new ATOM 2272 N ARG A 145 8.237 5.041 4.226 1.00 0.02 N ATOM 2273 CA ARG A 145 7.168 5.976 4.723 1.00 0.01 C ATOM 2274 C ARG A 145 7.155 7.257 3.883 1.00 0.01 C ATOM 2275 O ARG A 145 8.079 7.532 3.141 1.00 0.01 O ATOM 2276 CB ARG A 145 7.458 6.345 6.179 1.00 0.01 C ATOM 2277 CG ARG A 145 7.504 5.073 7.027 1.00 0.02 C ATOM 2278 CD ARG A 145 7.775 5.443 8.487 1.00 0.01 C ATOM 2279 NE ARG A 145 7.796 4.205 9.315 1.00 0.01 N ATOM 2280 CZ ARG A 145 8.291 4.236 10.522 1.00 0.01 C ATOM 2281 NH1 ARG A 145 8.771 5.351 11.002 1.00 0.02 N ATOM 2282 NH2 ARG A 145 8.310 3.152 11.248 1.00 0.01 N ATOM 0 H ARG A 145 9.170 5.449 4.161 1.00 0.02 H new ATOM 0 HA ARG A 145 6.200 5.481 4.644 1.00 0.01 H new ATOM 0 HB2 ARG A 145 8.407 6.876 6.249 1.00 0.01 H new ATOM 0 HB3 ARG A 145 6.688 7.018 6.555 1.00 0.01 H new ATOM 0 HG2 ARG A 145 6.559 4.535 6.946 1.00 0.02 H new ATOM 0 HG3 ARG A 145 8.283 4.406 6.659 1.00 0.02 H new ATOM 0 HD2 ARG A 145 8.728 5.966 8.570 1.00 0.01 H new ATOM 0 HD3 ARG A 145 7.005 6.124 8.850 1.00 0.01 H new ATOM 0 HE ARG A 145 7.424 3.333 8.939 1.00 0.01 H new ATOM 0 HH11 ARG A 145 8.759 6.198 10.434 1.00 0.02 H new ATOM 0 HH12 ARG A 145 9.158 5.375 11.945 1.00 0.02 H new ATOM 0 HH21 ARG A 145 7.938 2.280 10.872 1.00 0.01 H new ATOM 0 HH22 ARG A 145 8.697 3.177 12.191 1.00 0.01 H new ATOM 2296 N GLY A 146 6.106 8.041 3.982 1.00 0.01 N ATOM 2297 CA GLY A 146 6.021 9.305 3.190 1.00 0.02 C ATOM 2298 C GLY A 146 5.369 9.037 1.831 1.00 0.01 C ATOM 2299 O GLY A 146 4.777 8.000 1.605 1.00 0.02 O ATOM 0 H GLY A 146 5.302 7.856 4.582 1.00 0.01 H new ATOM 0 HA2 GLY A 146 5.442 10.048 3.739 1.00 0.02 H new ATOM 0 HA3 GLY A 146 7.019 9.720 3.047 1.00 0.02 H new ATOM 2303 N ARG A 147 5.476 9.974 0.929 1.00 0.01 N ATOM 2304 CA ARG A 147 4.866 9.796 -0.421 1.00 0.01 C ATOM 2305 C ARG A 147 5.629 8.708 -1.168 1.00 0.01 C ATOM 2306 O ARG A 147 6.830 8.567 -1.041 1.00 0.01 O ATOM 2307 CB ARG A 147 4.964 11.110 -1.197 1.00 0.01 C ATOM 2308 CG ARG A 147 4.431 10.905 -2.615 1.00 0.01 C ATOM 2309 CD ARG A 147 4.241 12.264 -3.292 1.00 0.01 C ATOM 2310 NE ARG A 147 3.065 12.956 -2.695 1.00 0.02 N ATOM 2311 CZ ARG A 147 2.883 14.231 -2.903 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.728 14.900 -3.638 1.00 0.01 N ATOM 2313 NH2 ARG A 147 1.854 14.839 -2.377 1.00 0.02 N ATOM 0 H ARG A 147 5.962 10.860 1.069 1.00 0.01 H new ATOM 0 HA ARG A 147 3.819 9.511 -0.321 1.00 0.01 H new ATOM 0 HB2 ARG A 147 4.392 11.887 -0.691 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.000 11.448 -1.232 1.00 0.01 H new ATOM 0 HG2 ARG A 147 5.126 10.294 -3.191 1.00 0.01 H new ATOM 0 HG3 ARG A 147 3.484 10.367 -2.584 1.00 0.01 H new ATOM 0 HD2 ARG A 147 5.137 12.873 -3.167 1.00 0.01 H new ATOM 0 HD3 ARG A 147 4.093 12.131 -4.364 1.00 0.01 H new ATOM 0 HE ARG A 147 2.402 12.433 -2.123 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.532 14.426 -4.051 1.00 0.01 H new ATOM 0 HH12 ARG A 147 3.585 15.897 -3.800 1.00 0.01 H new ATOM 0 HH21 ARG A 147 1.192 14.317 -1.803 1.00 0.02 H new ATOM 0 HH22 ARG A 147 1.712 15.836 -2.540 1.00 0.02 H new ATOM 2327 N GLN A 148 4.914 7.909 -1.925 1.00 0.01 N ATOM 2328 CA GLN A 148 5.546 6.780 -2.671 1.00 0.01 C ATOM 2329 C GLN A 148 5.435 7.024 -4.181 1.00 0.01 C ATOM 2330 O GLN A 148 4.489 7.620 -4.657 1.00 0.01 O ATOM 2331 CB GLN A 148 4.777 5.501 -2.310 1.00 0.00 C ATOM 2332 CG GLN A 148 4.389 5.538 -0.830 1.00 0.02 C ATOM 2333 CD GLN A 148 3.922 4.150 -0.389 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.583 3.272 -1.294 1.00 0.02 O flip ATOM 2335 NE2 GLN A 148 3.864 3.862 0.789 1.00 0.01 N flip ATOM 0 H GLN A 148 3.906 7.995 -2.057 1.00 0.01 H new ATOM 0 HA GLN A 148 6.600 6.693 -2.407 1.00 0.01 H new ATOM 0 HB2 GLN A 148 3.884 5.414 -2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 148 5.392 4.625 -2.514 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.241 5.855 -0.228 1.00 0.02 H new ATOM 0 HG3 GLN A 148 3.596 6.268 -0.669 1.00 0.02 H new ATOM 0 HE21 GLN A 148 4.129 4.548 1.495 1.00 0.01 H new ATOM 0 HE22 GLN A 148 3.550 2.934 1.072 1.00 0.01 H new ATOM 2344 N TYR A 149 6.395 6.547 -4.931 1.00 0.01 N ATOM 2345 CA TYR A 149 6.373 6.713 -6.419 1.00 0.01 C ATOM 2346 C TYR A 149 6.482 5.334 -7.071 1.00 0.01 C ATOM 2347 O TYR A 149 7.291 4.522 -6.665 1.00 0.01 O ATOM 2348 CB TYR A 149 7.554 7.582 -6.855 1.00 0.01 C ATOM 2349 CG TYR A 149 7.421 8.956 -6.245 1.00 0.01 C ATOM 2350 CD1 TYR A 149 6.678 9.944 -6.902 1.00 0.01 C ATOM 2351 CD2 TYR A 149 8.040 9.242 -5.023 1.00 0.01 C ATOM 2352 CE1 TYR A 149 6.554 11.218 -6.335 1.00 0.01 C ATOM 2353 CE2 TYR A 149 7.916 10.516 -4.455 1.00 0.01 C ATOM 2354 CZ TYR A 149 7.173 11.504 -5.111 1.00 0.01 C ATOM 2355 OH TYR A 149 7.049 12.760 -4.552 1.00 0.01 O ATOM 0 H TYR A 149 7.205 6.042 -4.572 1.00 0.01 H new ATOM 0 HA TYR A 149 5.444 7.194 -6.725 1.00 0.01 H new ATOM 0 HB2 TYR A 149 8.492 7.123 -6.542 1.00 0.01 H new ATOM 0 HB3 TYR A 149 7.583 7.656 -7.942 1.00 0.01 H new ATOM 0 HD1 TYR A 149 6.201 9.724 -7.845 1.00 0.01 H new ATOM 0 HD2 TYR A 149 8.614 8.479 -4.517 1.00 0.01 H new ATOM 0 HE1 TYR A 149 5.981 11.981 -6.841 1.00 0.01 H new ATOM 0 HE2 TYR A 149 8.393 10.736 -3.512 1.00 0.01 H new ATOM 0 HH TYR A 149 7.538 12.790 -3.703 1.00 0.01 H new ATOM 2365 N LEU A 150 5.680 5.041 -8.066 1.00 0.01 N ATOM 2366 CA LEU A 150 5.752 3.694 -8.718 1.00 0.01 C ATOM 2367 C LEU A 150 6.595 3.809 -9.994 1.00 0.01 C ATOM 2368 O LEU A 150 6.278 4.567 -10.889 1.00 0.01 O ATOM 2369 CB LEU A 150 4.320 3.241 -9.050 1.00 0.01 C ATOM 2370 CG LEU A 150 4.242 1.709 -9.106 1.00 0.01 C ATOM 2371 CD1 LEU A 150 2.783 1.281 -9.279 1.00 0.01 C ATOM 2372 CD2 LEU A 150 5.074 1.191 -10.284 1.00 0.01 C ATOM 0 H LEU A 150 4.980 5.674 -8.454 1.00 0.01 H new ATOM 0 HA LEU A 150 6.215 2.961 -8.057 1.00 0.01 H new ATOM 0 HB2 LEU A 150 3.629 3.619 -8.297 1.00 0.01 H new ATOM 0 HB3 LEU A 150 4.011 3.662 -10.007 1.00 0.01 H new ATOM 0 HG LEU A 150 4.636 1.292 -8.179 1.00 0.01 H new ATOM 0 HD11 LEU A 150 2.725 0.193 -9.319 1.00 0.01 H new ATOM 0 HD12 LEU A 150 2.195 1.645 -8.437 1.00 0.01 H new ATOM 0 HD13 LEU A 150 2.388 1.700 -10.205 1.00 0.01 H new ATOM 0 HD21 LEU A 150 5.016 0.103 -10.320 1.00 0.01 H new ATOM 0 HD22 LEU A 150 4.686 1.606 -11.214 1.00 0.01 H new ATOM 0 HD23 LEU A 150 6.113 1.495 -10.157 1.00 0.01 H new ATOM 2384 N LEU A 151 7.662 3.060 -10.086 1.00 0.01 N ATOM 2385 CA LEU A 151 8.523 3.120 -11.307 1.00 0.01 C ATOM 2386 C LEU A 151 8.111 2.000 -12.269 1.00 0.01 C ATOM 2387 O LEU A 151 7.564 0.996 -11.862 1.00 0.01 O ATOM 2388 CB LEU A 151 9.988 2.944 -10.891 1.00 0.01 C ATOM 2389 CG LEU A 151 10.916 3.052 -12.111 1.00 0.01 C ATOM 2390 CD1 LEU A 151 10.801 4.449 -12.747 1.00 0.01 C ATOM 2391 CD2 LEU A 151 12.360 2.808 -11.660 1.00 0.01 C ATOM 0 H LEU A 151 7.976 2.408 -9.368 1.00 0.01 H new ATOM 0 HA LEU A 151 8.403 4.081 -11.807 1.00 0.01 H new ATOM 0 HB2 LEU A 151 10.256 3.703 -10.156 1.00 0.01 H new ATOM 0 HB3 LEU A 151 10.121 1.974 -10.411 1.00 0.01 H new ATOM 0 HG LEU A 151 10.626 2.307 -12.852 1.00 0.01 H new ATOM 0 HD11 LEU A 151 11.464 4.512 -13.610 1.00 0.01 H new ATOM 0 HD12 LEU A 151 9.773 4.620 -13.066 1.00 0.01 H new ATOM 0 HD13 LEU A 151 11.085 5.206 -12.016 1.00 0.01 H new ATOM 0 HD21 LEU A 151 13.027 2.882 -12.519 1.00 0.01 H new ATOM 0 HD22 LEU A 151 12.640 3.555 -10.917 1.00 0.01 H new ATOM 0 HD23 LEU A 151 12.441 1.813 -11.223 1.00 0.01 H new ATOM 2403 N ASP A 152 8.369 2.166 -13.544 1.00 0.01 N ATOM 2404 CA ASP A 152 7.992 1.112 -14.543 1.00 0.01 C ATOM 2405 C ASP A 152 9.252 0.364 -14.993 1.00 0.00 C ATOM 2406 O ASP A 152 9.920 -0.272 -14.203 1.00 0.01 O ATOM 2407 CB ASP A 152 7.336 1.779 -15.755 1.00 1.04 C ATOM 2408 CG ASP A 152 5.980 2.357 -15.346 1.00 1.54 C ATOM 2409 OD1 ASP A 152 5.738 2.461 -14.154 1.00 2.27 O ATOM 2410 OD2 ASP A 152 5.207 2.685 -16.230 1.00 1.57 O ATOM 0 H ASP A 152 8.826 2.988 -13.939 1.00 0.01 H new ATOM 0 HA ASP A 152 7.294 0.408 -14.089 1.00 0.01 H new ATOM 0 HB2 ASP A 152 7.979 2.570 -16.141 1.00 1.04 H new ATOM 0 HB3 ASP A 152 7.207 1.053 -16.558 1.00 1.04 H new ATOM 2415 N LYS A 153 9.582 0.429 -16.256 1.00 0.01 N ATOM 2416 CA LYS A 153 10.797 -0.287 -16.746 1.00 0.01 C ATOM 2417 C LYS A 153 11.293 0.365 -18.037 1.00 0.01 C ATOM 2418 O LYS A 153 11.630 -0.309 -18.991 1.00 0.01 O ATOM 2419 CB LYS A 153 10.451 -1.754 -17.018 1.00 0.38 C ATOM 2420 CG LYS A 153 9.298 -1.835 -18.023 1.00 0.71 C ATOM 2421 CD LYS A 153 8.720 -3.253 -18.027 1.00 0.72 C ATOM 2422 CE LYS A 153 9.797 -4.251 -18.461 1.00 1.09 C ATOM 2423 NZ LYS A 153 9.151 -5.529 -18.871 1.00 1.84 N ATOM 0 H LYS A 153 9.065 0.945 -16.968 1.00 0.01 H new ATOM 0 HA LYS A 153 11.578 -0.230 -15.988 1.00 0.01 H new ATOM 0 HB2 LYS A 153 11.324 -2.277 -17.409 1.00 0.38 H new ATOM 0 HB3 LYS A 153 10.171 -2.250 -16.089 1.00 0.38 H new ATOM 0 HG2 LYS A 153 8.522 -1.116 -17.761 1.00 0.71 H new ATOM 0 HG3 LYS A 153 9.652 -1.573 -19.020 1.00 0.71 H new ATOM 0 HD2 LYS A 153 8.354 -3.509 -17.033 1.00 0.72 H new ATOM 0 HD3 LYS A 153 7.868 -3.306 -18.704 1.00 0.72 H new ATOM 0 HE2 LYS A 153 10.376 -3.841 -19.289 1.00 1.09 H new ATOM 0 HE3 LYS A 153 10.494 -4.429 -17.642 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 9.881 -6.208 -19.166 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 8.617 -5.921 -18.069 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 8.503 -5.351 -19.664 1.00 1.84 H new ATOM 2437 N LYS A 154 11.342 1.674 -18.073 1.00 0.00 N ATOM 2438 CA LYS A 154 11.818 2.394 -19.299 1.00 0.01 C ATOM 2439 C LYS A 154 13.149 3.084 -18.995 1.00 0.01 C ATOM 2440 O LYS A 154 13.872 2.689 -18.101 1.00 0.00 O ATOM 2441 CB LYS A 154 10.782 3.447 -19.698 1.00 0.39 C ATOM 2442 CG LYS A 154 9.413 2.782 -19.852 1.00 0.48 C ATOM 2443 CD LYS A 154 8.379 3.832 -20.265 1.00 0.97 C ATOM 2444 CE LYS A 154 6.988 3.197 -20.286 1.00 1.44 C ATOM 2445 NZ LYS A 154 7.007 1.985 -21.152 1.00 2.28 N ATOM 0 H LYS A 154 11.071 2.281 -17.300 1.00 0.00 H new ATOM 0 HA LYS A 154 11.952 1.683 -20.114 1.00 0.01 H new ATOM 0 HB2 LYS A 154 10.735 4.231 -18.942 1.00 0.39 H new ATOM 0 HB3 LYS A 154 11.074 3.924 -20.634 1.00 0.39 H new ATOM 0 HG2 LYS A 154 9.463 1.991 -20.601 1.00 0.48 H new ATOM 0 HG3 LYS A 154 9.117 2.314 -18.913 1.00 0.48 H new ATOM 0 HD2 LYS A 154 8.397 4.670 -19.568 1.00 0.97 H new ATOM 0 HD3 LYS A 154 8.623 4.231 -21.250 1.00 0.97 H new ATOM 0 HE2 LYS A 154 6.684 2.929 -19.274 1.00 1.44 H new ATOM 0 HE3 LYS A 154 6.256 3.913 -20.660 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 6.033 1.731 -21.415 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 7.558 2.181 -22.012 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 7.443 1.195 -20.634 1.00 2.28 H new ATOM 2459 N GLU A 155 13.476 4.117 -19.733 1.00 0.01 N ATOM 2460 CA GLU A 155 14.760 4.852 -19.500 1.00 0.01 C ATOM 2461 C GLU A 155 14.455 6.198 -18.848 1.00 0.01 C ATOM 2462 O GLU A 155 13.965 7.110 -19.486 1.00 0.01 O ATOM 2463 CB GLU A 155 15.457 5.088 -20.842 1.00 0.01 C ATOM 2464 CG GLU A 155 15.722 3.744 -21.525 1.00 0.01 C ATOM 2465 CD GLU A 155 16.773 2.968 -20.731 1.00 0.01 C ATOM 2466 OE1 GLU A 155 17.607 3.606 -20.109 1.00 0.01 O ATOM 2467 OE2 GLU A 155 16.727 1.749 -20.757 1.00 0.01 O ATOM 0 H GLU A 155 12.904 4.486 -20.493 1.00 0.01 H new ATOM 0 HA GLU A 155 15.408 4.265 -18.849 1.00 0.01 H new ATOM 0 HB2 GLU A 155 14.836 5.716 -21.481 1.00 0.01 H new ATOM 0 HB3 GLU A 155 16.395 5.620 -20.687 1.00 0.01 H new ATOM 0 HG2 GLU A 155 14.799 3.167 -21.588 1.00 0.01 H new ATOM 0 HG3 GLU A 155 16.067 3.905 -22.546 1.00 0.01 H new ATOM 2474 N TYR A 156 14.737 6.331 -17.577 1.00 0.00 N ATOM 2475 CA TYR A 156 14.460 7.619 -16.869 1.00 0.01 C ATOM 2476 C TYR A 156 15.749 8.438 -16.774 1.00 0.01 C ATOM 2477 O TYR A 156 16.686 8.059 -16.100 1.00 0.01 O ATOM 2478 CB TYR A 156 13.925 7.305 -15.471 1.00 0.01 C ATOM 2479 CG TYR A 156 12.958 6.150 -15.560 1.00 0.00 C ATOM 2480 CD1 TYR A 156 13.432 4.833 -15.491 1.00 0.01 C ATOM 2481 CD2 TYR A 156 11.588 6.393 -15.716 1.00 0.01 C ATOM 2482 CE1 TYR A 156 12.536 3.762 -15.577 1.00 0.01 C ATOM 2483 CE2 TYR A 156 10.693 5.320 -15.802 1.00 0.01 C ATOM 2484 CZ TYR A 156 11.166 4.005 -15.733 1.00 0.01 C ATOM 2485 OH TYR A 156 10.282 2.949 -15.819 1.00 0.01 O ATOM 0 H TYR A 156 15.149 5.600 -16.996 1.00 0.00 H new ATOM 0 HA TYR A 156 13.719 8.200 -17.419 1.00 0.01 H new ATOM 0 HB2 TYR A 156 14.748 7.056 -14.801 1.00 0.01 H new ATOM 0 HB3 TYR A 156 13.428 8.180 -15.053 1.00 0.01 H new ATOM 0 HD1 TYR A 156 14.489 4.645 -15.371 1.00 0.01 H new ATOM 0 HD2 TYR A 156 11.222 7.408 -15.770 1.00 0.01 H new ATOM 0 HE1 TYR A 156 12.901 2.747 -15.523 1.00 0.01 H new ATOM 0 HE2 TYR A 156 9.636 5.507 -15.922 1.00 0.01 H new ATOM 0 HH TYR A 156 9.742 3.040 -16.632 1.00 0.01 H new ATOM 2495 N ARG A 157 15.821 9.539 -17.475 1.00 0.01 N ATOM 2496 CA ARG A 157 17.073 10.357 -17.460 1.00 0.01 C ATOM 2497 C ARG A 157 17.000 11.479 -16.420 1.00 0.00 C ATOM 2498 O ARG A 157 18.021 11.968 -15.978 1.00 0.01 O ATOM 2499 CB ARG A 157 17.279 10.975 -18.843 1.00 0.01 C ATOM 2500 CG ARG A 157 17.666 9.880 -19.838 1.00 0.01 C ATOM 2501 CD ARG A 157 17.782 10.479 -21.241 1.00 0.00 C ATOM 2502 NE ARG A 157 16.453 10.995 -21.672 1.00 0.01 N ATOM 2503 CZ ARG A 157 16.368 11.802 -22.695 1.00 0.01 C ATOM 2504 NH1 ARG A 157 17.447 12.159 -23.336 1.00 0.01 N ATOM 2505 NH2 ARG A 157 15.203 12.254 -23.074 1.00 0.01 N ATOM 0 H ARG A 157 15.069 9.908 -18.057 1.00 0.01 H new ATOM 0 HA ARG A 157 17.905 9.703 -17.199 1.00 0.01 H new ATOM 0 HB2 ARG A 157 16.366 11.473 -19.170 1.00 0.01 H new ATOM 0 HB3 ARG A 157 18.059 11.735 -18.801 1.00 0.01 H new ATOM 0 HG2 ARG A 157 18.613 9.427 -19.546 1.00 0.01 H new ATOM 0 HG3 ARG A 157 16.918 9.087 -19.831 1.00 0.01 H new ATOM 0 HD2 ARG A 157 18.516 11.285 -21.244 1.00 0.00 H new ATOM 0 HD3 ARG A 157 18.136 9.723 -21.943 1.00 0.00 H new ATOM 0 HE ARG A 157 15.610 10.718 -21.169 1.00 0.01 H new ATOM 0 HH11 ARG A 157 18.357 11.808 -23.038 1.00 0.01 H new ATOM 0 HH12 ARG A 157 17.380 12.789 -24.135 1.00 0.01 H new ATOM 0 HH21 ARG A 157 14.360 11.977 -22.571 1.00 0.01 H new ATOM 0 HH22 ARG A 157 15.136 12.884 -23.873 1.00 0.01 H new ATOM 2519 N LYS A 158 15.822 11.895 -16.013 1.00 0.01 N ATOM 2520 CA LYS A 158 15.710 12.986 -14.986 1.00 0.01 C ATOM 2521 C LYS A 158 14.786 12.504 -13.852 1.00 0.01 C ATOM 2522 O LYS A 158 13.923 11.684 -14.081 1.00 0.01 O ATOM 2523 CB LYS A 158 15.099 14.227 -15.654 1.00 0.58 C ATOM 2524 CG LYS A 158 16.188 15.000 -16.404 1.00 0.97 C ATOM 2525 CD LYS A 158 15.540 16.074 -17.280 1.00 1.44 C ATOM 2526 CE LYS A 158 16.631 16.885 -17.980 1.00 2.13 C ATOM 2527 NZ LYS A 158 17.482 15.971 -18.793 1.00 2.54 N ATOM 0 H LYS A 158 14.932 11.526 -16.347 1.00 0.01 H new ATOM 0 HA LYS A 158 16.691 13.232 -14.580 1.00 0.01 H new ATOM 0 HB2 LYS A 158 14.310 13.929 -16.345 1.00 0.58 H new ATOM 0 HB3 LYS A 158 14.638 14.867 -14.901 1.00 0.58 H new ATOM 0 HG2 LYS A 158 16.876 15.460 -15.695 1.00 0.97 H new ATOM 0 HG3 LYS A 158 16.774 14.318 -17.020 1.00 0.97 H new ATOM 0 HD2 LYS A 158 14.886 15.611 -18.018 1.00 1.44 H new ATOM 0 HD3 LYS A 158 14.919 16.730 -16.670 1.00 1.44 H new ATOM 0 HE2 LYS A 158 16.181 17.645 -18.619 1.00 2.13 H new ATOM 0 HE3 LYS A 158 17.241 17.408 -17.243 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 17.989 16.520 -19.516 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 18.169 15.495 -18.175 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 16.882 15.259 -19.257 1.00 2.54 H new ATOM 2541 N PRO A 159 14.924 13.017 -12.646 1.00 0.01 N ATOM 2542 CA PRO A 159 14.017 12.597 -11.536 1.00 0.02 C ATOM 2543 C PRO A 159 12.552 12.903 -11.888 1.00 0.01 C ATOM 2544 O PRO A 159 11.659 12.150 -11.554 1.00 0.01 O ATOM 2545 CB PRO A 159 14.519 13.448 -10.350 1.00 0.41 C ATOM 2546 CG PRO A 159 15.557 14.458 -10.884 1.00 0.70 C ATOM 2547 CD PRO A 159 15.964 14.028 -12.302 1.00 0.28 C ATOM 0 HA PRO A 159 14.038 11.528 -11.325 1.00 0.02 H new ATOM 0 HB2 PRO A 159 13.687 13.972 -9.879 1.00 0.41 H new ATOM 0 HB3 PRO A 159 14.967 12.810 -9.588 1.00 0.41 H new ATOM 0 HG2 PRO A 159 15.136 15.463 -10.898 1.00 0.70 H new ATOM 0 HG3 PRO A 159 16.429 14.487 -10.231 1.00 0.70 H new ATOM 0 HD2 PRO A 159 15.959 14.867 -12.997 1.00 0.28 H new ATOM 0 HD3 PRO A 159 16.967 13.602 -12.324 1.00 0.28 H new ATOM 2555 N VAL A 160 12.291 13.997 -12.546 1.00 0.01 N ATOM 2556 CA VAL A 160 10.881 14.330 -12.898 1.00 0.02 C ATOM 2557 C VAL A 160 10.316 13.231 -13.799 1.00 0.02 C ATOM 2558 O VAL A 160 9.118 13.080 -13.928 1.00 0.02 O ATOM 2559 CB VAL A 160 10.848 15.671 -13.633 1.00 0.14 C ATOM 2560 CG1 VAL A 160 9.412 15.992 -14.051 1.00 0.86 C ATOM 2561 CG2 VAL A 160 11.365 16.772 -12.704 1.00 0.74 C ATOM 0 H VAL A 160 12.989 14.673 -12.855 1.00 0.01 H new ATOM 0 HA VAL A 160 10.278 14.401 -11.992 1.00 0.02 H new ATOM 0 HB VAL A 160 11.479 15.614 -14.520 1.00 0.14 H new ATOM 0 HG11 VAL A 160 9.390 16.948 -14.575 1.00 0.86 H new ATOM 0 HG12 VAL A 160 9.041 15.208 -14.711 1.00 0.86 H new ATOM 0 HG13 VAL A 160 8.779 16.049 -13.165 1.00 0.86 H new ATOM 0 HG21 VAL A 160 11.342 17.729 -13.226 1.00 0.74 H new ATOM 0 HG22 VAL A 160 10.733 16.827 -11.818 1.00 0.74 H new ATOM 0 HG23 VAL A 160 12.389 16.545 -12.406 1.00 0.74 H new ATOM 2571 N ASP A 161 11.159 12.460 -14.423 1.00 0.00 N ATOM 2572 CA ASP A 161 10.637 11.382 -15.306 1.00 0.01 C ATOM 2573 C ASP A 161 9.883 10.339 -14.471 1.00 0.01 C ATOM 2574 O ASP A 161 9.130 9.544 -14.996 1.00 0.01 O ATOM 2575 CB ASP A 161 11.800 10.706 -16.035 1.00 0.00 C ATOM 2576 CG ASP A 161 12.532 11.736 -16.898 1.00 0.02 C ATOM 2577 OD1 ASP A 161 12.001 12.821 -17.069 1.00 0.00 O ATOM 2578 OD2 ASP A 161 13.611 11.421 -17.373 1.00 0.00 O ATOM 0 H ASP A 161 12.175 12.527 -14.362 1.00 0.00 H new ATOM 0 HA ASP A 161 9.955 11.820 -16.035 1.00 0.01 H new ATOM 0 HB2 ASP A 161 12.488 10.266 -15.313 1.00 0.00 H new ATOM 0 HB3 ASP A 161 11.428 9.893 -16.658 1.00 0.00 H new ATOM 2583 N TRP A 162 10.060 10.351 -13.169 1.00 0.01 N ATOM 2584 CA TRP A 162 9.327 9.371 -12.300 1.00 0.01 C ATOM 2585 C TRP A 162 8.092 10.054 -11.706 1.00 0.01 C ATOM 2586 O TRP A 162 7.442 9.515 -10.832 1.00 0.01 O ATOM 2587 CB TRP A 162 10.215 8.896 -11.143 1.00 0.01 C ATOM 2588 CG TRP A 162 11.510 8.359 -11.664 1.00 0.02 C ATOM 2589 CD1 TRP A 162 11.644 7.520 -12.718 1.00 0.01 C ATOM 2590 CD2 TRP A 162 12.856 8.602 -11.162 1.00 0.01 C ATOM 2591 NE1 TRP A 162 12.987 7.237 -12.895 1.00 0.01 N ATOM 2592 CE2 TRP A 162 13.773 7.881 -11.961 1.00 0.01 C ATOM 2593 CE3 TRP A 162 13.364 9.374 -10.101 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 15.146 7.922 -11.717 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 14.746 9.418 -9.853 1.00 0.01 C ATOM 2596 CH2 TRP A 162 15.635 8.694 -10.659 1.00 0.01 C ATOM 0 H TRP A 162 10.677 10.994 -12.672 1.00 0.01 H new ATOM 0 HA TRP A 162 9.044 8.514 -12.911 1.00 0.01 H new ATOM 0 HB2 TRP A 162 10.406 9.724 -10.460 1.00 0.01 H new ATOM 0 HB3 TRP A 162 9.698 8.125 -10.573 1.00 0.01 H new ATOM 0 HD1 TRP A 162 10.836 7.135 -13.322 1.00 0.01 H new ATOM 0 HE1 TRP A 162 13.352 6.627 -13.627 1.00 0.01 H new ATOM 0 HE3 TRP A 162 12.688 9.936 -9.474 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 15.826 7.361 -12.341 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 15.126 10.014 -9.036 1.00 0.01 H new ATOM 0 HH2 TRP A 162 16.696 8.732 -10.463 1.00 0.01 H new ATOM 2607 N GLY A 163 7.736 11.213 -12.190 1.00 0.02 N ATOM 2608 CA GLY A 163 6.515 11.895 -11.668 1.00 0.01 C ATOM 2609 C GLY A 163 6.805 12.630 -10.356 1.00 0.01 C ATOM 2610 O GLY A 163 5.903 13.069 -9.671 1.00 0.01 O ATOM 0 H GLY A 163 8.236 11.717 -12.923 1.00 0.02 H new ATOM 0 HA2 GLY A 163 6.146 12.603 -12.410 1.00 0.01 H new ATOM 0 HA3 GLY A 163 5.726 11.160 -11.509 1.00 0.01 H new ATOM 2614 N ALA A 164 8.053 12.752 -9.986 1.00 0.01 N ATOM 2615 CA ALA A 164 8.398 13.441 -8.701 1.00 0.02 C ATOM 2616 C ALA A 164 8.822 14.884 -8.973 1.00 0.01 C ATOM 2617 O ALA A 164 9.509 15.178 -9.931 1.00 0.02 O ATOM 2618 CB ALA A 164 9.578 12.711 -8.057 1.00 0.01 C ATOM 0 H ALA A 164 8.851 12.405 -10.517 1.00 0.01 H new ATOM 0 HA ALA A 164 7.526 13.433 -8.047 1.00 0.02 H new ATOM 0 HB1 ALA A 164 9.841 13.201 -7.120 1.00 0.01 H new ATOM 0 HB2 ALA A 164 9.301 11.675 -7.860 1.00 0.01 H new ATOM 0 HB3 ALA A 164 10.433 12.736 -8.732 1.00 0.01 H new ATOM 2624 N ALA A 165 8.411 15.786 -8.123 1.00 0.02 N ATOM 2625 CA ALA A 165 8.773 17.221 -8.299 1.00 0.01 C ATOM 2626 C ALA A 165 10.138 17.498 -7.663 1.00 0.02 C ATOM 2627 O ALA A 165 10.705 18.558 -7.843 1.00 0.01 O ATOM 2628 CB ALA A 165 7.724 18.107 -7.625 1.00 0.59 C ATOM 0 H ALA A 165 7.834 15.587 -7.306 1.00 0.02 H new ATOM 0 HA ALA A 165 8.814 17.443 -9.365 1.00 0.01 H new ATOM 0 HB1 ALA A 165 7.994 19.155 -7.757 1.00 0.59 H new ATOM 0 HB2 ALA A 165 6.749 17.924 -8.076 1.00 0.59 H new ATOM 0 HB3 ALA A 165 7.681 17.875 -6.561 1.00 0.59 H new ATOM 2634 N SER A 166 10.676 16.557 -6.925 1.00 0.01 N ATOM 2635 CA SER A 166 12.012 16.768 -6.281 1.00 0.01 C ATOM 2636 C SER A 166 12.811 15.449 -6.330 1.00 0.02 C ATOM 2637 O SER A 166 12.224 14.386 -6.304 1.00 0.01 O ATOM 2638 CB SER A 166 11.807 17.179 -4.822 1.00 0.72 C ATOM 2639 OG SER A 166 11.320 18.513 -4.775 1.00 0.87 O ATOM 0 H SER A 166 10.247 15.650 -6.740 1.00 0.01 H new ATOM 0 HA SER A 166 12.558 17.549 -6.810 1.00 0.01 H new ATOM 0 HB2 SER A 166 11.101 16.504 -4.338 1.00 0.72 H new ATOM 0 HB3 SER A 166 12.747 17.103 -4.275 1.00 0.72 H new ATOM 0 HG SER A 166 11.186 18.780 -3.842 1.00 0.87 H new ATOM 2645 N PRO A 167 14.131 15.492 -6.385 1.00 0.02 N ATOM 2646 CA PRO A 167 14.935 14.234 -6.418 1.00 0.01 C ATOM 2647 C PRO A 167 15.032 13.562 -5.038 1.00 0.01 C ATOM 2648 O PRO A 167 15.899 12.742 -4.805 1.00 0.01 O ATOM 2649 CB PRO A 167 16.313 14.756 -6.852 1.00 0.38 C ATOM 2650 CG PRO A 167 16.370 16.243 -6.480 1.00 0.35 C ATOM 2651 CD PRO A 167 14.923 16.763 -6.431 1.00 0.22 C ATOM 0 HA PRO A 167 14.504 13.473 -7.068 1.00 0.01 H new ATOM 0 HB2 PRO A 167 17.109 14.203 -6.353 1.00 0.38 H new ATOM 0 HB3 PRO A 167 16.456 14.621 -7.924 1.00 0.38 H new ATOM 0 HG2 PRO A 167 16.859 16.378 -5.515 1.00 0.35 H new ATOM 0 HG3 PRO A 167 16.953 16.800 -7.214 1.00 0.35 H new ATOM 0 HD2 PRO A 167 14.744 17.386 -5.555 1.00 0.22 H new ATOM 0 HD3 PRO A 167 14.677 17.365 -7.306 1.00 0.22 H new ATOM 2659 N ALA A 168 14.189 13.922 -4.108 1.00 0.01 N ATOM 2660 CA ALA A 168 14.303 13.313 -2.750 1.00 0.01 C ATOM 2661 C ALA A 168 13.632 11.937 -2.702 1.00 0.01 C ATOM 2662 O ALA A 168 12.459 11.776 -2.968 1.00 0.02 O ATOM 2663 CB ALA A 168 13.626 14.231 -1.730 1.00 0.18 C ATOM 0 H ALA A 168 13.437 14.601 -4.225 1.00 0.01 H new ATOM 0 HA ALA A 168 15.361 13.192 -2.516 1.00 0.01 H new ATOM 0 HB1 ALA A 168 13.706 13.792 -0.736 1.00 0.18 H new ATOM 0 HB2 ALA A 168 14.115 15.205 -1.737 1.00 0.18 H new ATOM 0 HB3 ALA A 168 12.574 14.351 -1.990 1.00 0.18 H new ATOM 2669 N ILE A 169 14.412 10.956 -2.332 1.00 0.01 N ATOM 2670 CA ILE A 169 13.927 9.548 -2.211 1.00 0.01 C ATOM 2671 C ILE A 169 14.801 8.873 -1.142 1.00 0.01 C ATOM 2672 O ILE A 169 16.013 8.936 -1.209 1.00 0.01 O ATOM 2673 CB ILE A 169 14.092 8.848 -3.572 1.00 1.81 C ATOM 2674 CG1 ILE A 169 13.020 9.330 -4.574 1.00 2.75 C ATOM 2675 CG2 ILE A 169 13.985 7.335 -3.413 1.00 2.24 C ATOM 2676 CD1 ILE A 169 11.592 9.040 -4.066 1.00 3.99 C ATOM 0 H ILE A 169 15.398 11.077 -2.101 1.00 0.01 H new ATOM 0 HA ILE A 169 12.876 9.497 -1.928 1.00 0.01 H new ATOM 0 HB ILE A 169 15.079 9.103 -3.957 1.00 1.81 H new ATOM 0 HG12 ILE A 169 13.136 10.401 -4.743 1.00 2.75 H new ATOM 0 HG13 ILE A 169 13.172 8.837 -5.534 1.00 2.75 H new ATOM 0 HG21 ILE A 169 14.104 6.858 -4.386 1.00 2.24 H new ATOM 0 HG22 ILE A 169 14.766 6.984 -2.738 1.00 2.24 H new ATOM 0 HG23 ILE A 169 13.008 7.081 -3.001 1.00 2.24 H new ATOM 0 HD11 ILE A 169 10.866 9.394 -4.798 1.00 3.99 H new ATOM 0 HD12 ILE A 169 11.468 7.967 -3.922 1.00 3.99 H new ATOM 0 HD13 ILE A 169 11.431 9.554 -3.119 1.00 3.99 H new ATOM 2688 N GLN A 170 14.205 8.275 -0.128 1.00 0.01 N ATOM 2689 CA GLN A 170 15.017 7.654 0.978 1.00 0.01 C ATOM 2690 C GLN A 170 14.899 6.122 1.044 1.00 0.02 C ATOM 2691 O GLN A 170 15.682 5.492 1.731 1.00 0.01 O ATOM 2692 CB GLN A 170 14.552 8.234 2.313 1.00 2.62 C ATOM 2693 CG GLN A 170 14.786 9.745 2.320 1.00 3.39 C ATOM 2694 CD GLN A 170 16.289 10.028 2.386 1.00 4.36 C ATOM 2695 OE1 GLN A 170 17.069 9.152 2.705 1.00 4.83 O ATOM 2696 NE2 GLN A 170 16.731 11.220 2.095 1.00 5.17 N ATOM 0 H GLN A 170 13.194 8.191 -0.019 1.00 0.01 H new ATOM 0 HA GLN A 170 16.062 7.886 0.771 1.00 0.01 H new ATOM 0 HB2 GLN A 170 13.495 8.018 2.467 1.00 2.62 H new ATOM 0 HB3 GLN A 170 15.096 7.767 3.134 1.00 2.62 H new ATOM 0 HG2 GLN A 170 14.360 10.194 1.423 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.282 10.198 3.174 1.00 3.39 H new ATOM 0 HE21 GLN A 170 16.077 11.955 1.827 1.00 5.17 H new ATOM 0 HE22 GLN A 170 17.731 11.417 2.135 1.00 5.17 H new ATOM 2705 N SER A 171 13.975 5.476 0.376 1.00 0.01 N ATOM 2706 CA SER A 171 13.931 3.978 0.501 1.00 0.01 C ATOM 2707 C SER A 171 13.215 3.366 -0.708 1.00 0.01 C ATOM 2708 O SER A 171 12.493 4.035 -1.419 1.00 0.01 O ATOM 2709 CB SER A 171 13.187 3.598 1.785 1.00 0.01 C ATOM 2710 OG SER A 171 11.805 3.443 1.498 1.00 0.02 O ATOM 0 H SER A 171 13.271 5.898 -0.230 1.00 0.01 H new ATOM 0 HA SER A 171 14.950 3.593 0.538 1.00 0.01 H new ATOM 0 HB2 SER A 171 13.592 2.672 2.193 1.00 0.01 H new ATOM 0 HB3 SER A 171 13.329 4.369 2.543 1.00 0.01 H new ATOM 0 HG SER A 171 11.277 3.958 2.143 1.00 0.02 H new ATOM 2716 N PHE A 172 13.401 2.084 -0.941 1.00 0.01 N ATOM 2717 CA PHE A 172 12.713 1.430 -2.101 1.00 0.01 C ATOM 2718 C PHE A 172 12.479 -0.057 -1.821 1.00 0.01 C ATOM 2719 O PHE A 172 13.207 -0.690 -1.074 1.00 0.01 O ATOM 2720 CB PHE A 172 13.553 1.594 -3.375 1.00 1.06 C ATOM 2721 CG PHE A 172 14.825 0.773 -3.301 1.00 0.75 C ATOM 2722 CD1 PHE A 172 14.790 -0.613 -3.512 1.00 0.75 C ATOM 2723 CD2 PHE A 172 16.048 1.406 -3.036 1.00 1.29 C ATOM 2724 CE1 PHE A 172 15.973 -1.360 -3.454 1.00 1.16 C ATOM 2725 CE2 PHE A 172 17.228 0.655 -2.983 1.00 2.02 C ATOM 2726 CZ PHE A 172 17.190 -0.726 -3.191 1.00 1.92 C ATOM 0 H PHE A 172 13.994 1.469 -0.383 1.00 0.01 H new ATOM 0 HA PHE A 172 11.747 1.914 -2.244 1.00 0.01 H new ATOM 0 HB2 PHE A 172 12.968 1.286 -4.242 1.00 1.06 H new ATOM 0 HB3 PHE A 172 13.803 2.645 -3.516 1.00 1.06 H new ATOM 0 HD1 PHE A 172 13.851 -1.104 -3.719 1.00 0.75 H new ATOM 0 HD2 PHE A 172 16.079 2.473 -2.873 1.00 1.29 H new ATOM 0 HE1 PHE A 172 15.945 -2.428 -3.613 1.00 1.16 H new ATOM 0 HE2 PHE A 172 18.170 1.144 -2.781 1.00 2.02 H new ATOM 0 HZ PHE A 172 18.102 -1.304 -3.148 1.00 1.92 H new ATOM 2736 N ARG A 173 11.451 -0.623 -2.415 1.00 0.01 N ATOM 2737 CA ARG A 173 11.139 -2.068 -2.188 1.00 0.01 C ATOM 2738 C ARG A 173 10.585 -2.693 -3.474 1.00 0.01 C ATOM 2739 O ARG A 173 9.933 -2.044 -4.272 1.00 0.01 O ATOM 2740 CB ARG A 173 10.070 -2.195 -1.097 1.00 0.01 C ATOM 2741 CG ARG A 173 10.657 -1.855 0.274 1.00 0.01 C ATOM 2742 CD ARG A 173 9.678 -2.301 1.363 1.00 0.01 C ATOM 2743 NE ARG A 173 9.740 -3.782 1.510 1.00 0.01 N ATOM 2744 CZ ARG A 173 9.227 -4.356 2.564 1.00 0.01 C ATOM 2745 NH1 ARG A 173 8.664 -3.631 3.491 1.00 0.01 N ATOM 2746 NH2 ARG A 173 9.278 -5.653 2.690 1.00 0.01 N ATOM 0 H ARG A 173 10.814 -0.141 -3.049 1.00 0.01 H new ATOM 0 HA ARG A 173 12.054 -2.580 -1.888 1.00 0.01 H new ATOM 0 HB2 ARG A 173 9.237 -1.528 -1.317 1.00 0.01 H new ATOM 0 HB3 ARG A 173 9.672 -3.210 -1.087 1.00 0.01 H new ATOM 0 HG2 ARG A 173 11.618 -2.353 0.405 1.00 0.01 H new ATOM 0 HG3 ARG A 173 10.840 -0.783 0.349 1.00 0.01 H new ATOM 0 HD2 ARG A 173 9.926 -1.820 2.309 1.00 0.01 H new ATOM 0 HD3 ARG A 173 8.665 -1.993 1.105 1.00 0.01 H new ATOM 0 HE ARG A 173 10.184 -4.348 0.787 1.00 0.01 H new ATOM 0 HH11 ARG A 173 8.625 -2.617 3.392 1.00 0.01 H new ATOM 0 HH12 ARG A 173 8.263 -4.079 4.315 1.00 0.01 H new ATOM 0 HH21 ARG A 173 9.719 -6.219 1.965 1.00 0.01 H new ATOM 0 HH22 ARG A 173 8.877 -6.102 3.514 1.00 0.01 H new ATOM 2760 N ARG A 174 10.828 -3.962 -3.663 1.00 0.01 N ATOM 2761 CA ARG A 174 10.312 -4.664 -4.878 1.00 0.01 C ATOM 2762 C ARG A 174 8.907 -5.210 -4.594 1.00 0.01 C ATOM 2763 O ARG A 174 8.620 -5.665 -3.505 1.00 0.01 O ATOM 2764 CB ARG A 174 11.237 -5.832 -5.226 1.00 0.01 C ATOM 2765 CG ARG A 174 10.876 -6.379 -6.610 1.00 0.01 C ATOM 2766 CD ARG A 174 11.548 -7.739 -6.812 1.00 0.01 C ATOM 2767 NE ARG A 174 12.933 -7.696 -6.265 1.00 0.01 N ATOM 2768 CZ ARG A 174 13.584 -8.806 -6.046 1.00 0.01 C ATOM 2769 NH1 ARG A 174 13.021 -9.956 -6.306 1.00 0.01 N ATOM 2770 NH2 ARG A 174 14.797 -8.767 -5.565 1.00 0.01 N ATOM 0 H ARG A 174 11.365 -4.548 -3.024 1.00 0.01 H new ATOM 0 HA ARG A 174 10.276 -3.962 -5.711 1.00 0.01 H new ATOM 0 HB2 ARG A 174 12.276 -5.502 -5.214 1.00 0.01 H new ATOM 0 HB3 ARG A 174 11.143 -6.619 -4.477 1.00 0.01 H new ATOM 0 HG2 ARG A 174 9.795 -6.478 -6.703 1.00 0.01 H new ATOM 0 HG3 ARG A 174 11.200 -5.683 -7.384 1.00 0.01 H new ATOM 0 HD2 ARG A 174 10.973 -8.518 -6.313 1.00 0.01 H new ATOM 0 HD3 ARG A 174 11.572 -7.991 -7.872 1.00 0.01 H new ATOM 0 HE ARG A 174 13.373 -6.799 -6.061 1.00 0.01 H new ATOM 0 HH11 ARG A 174 12.073 -9.987 -6.680 1.00 0.01 H new ATOM 0 HH12 ARG A 174 13.530 -10.823 -6.135 1.00 0.01 H new ATOM 0 HH21 ARG A 174 15.236 -7.869 -5.360 1.00 0.01 H new ATOM 0 HH22 ARG A 174 15.306 -9.634 -5.394 1.00 0.01 H new ATOM 2784 N ILE A 175 8.038 -5.197 -5.576 1.00 0.01 N ATOM 2785 CA ILE A 175 6.661 -5.752 -5.352 1.00 0.01 C ATOM 2786 C ILE A 175 6.636 -7.219 -5.786 1.00 0.00 C ATOM 2787 O ILE A 175 7.060 -7.556 -6.874 1.00 0.01 O ATOM 2788 CB ILE A 175 5.612 -4.978 -6.158 1.00 1.52 C ATOM 2789 CG1 ILE A 175 5.823 -3.461 -5.975 1.00 2.51 C ATOM 2790 CG2 ILE A 175 4.215 -5.376 -5.658 1.00 1.75 C ATOM 2791 CD1 ILE A 175 4.564 -2.674 -6.391 1.00 3.04 C ATOM 0 H ILE A 175 8.216 -4.832 -6.512 1.00 0.01 H new ATOM 0 HA ILE A 175 6.422 -5.659 -4.293 1.00 0.01 H new ATOM 0 HB ILE A 175 5.708 -5.218 -7.217 1.00 1.52 H new ATOM 0 HG12 ILE A 175 6.063 -3.247 -4.934 1.00 2.51 H new ATOM 0 HG13 ILE A 175 6.674 -3.134 -6.572 1.00 2.51 H new ATOM 0 HG21 ILE A 175 3.458 -4.832 -6.223 1.00 1.75 H new ATOM 0 HG22 ILE A 175 4.071 -6.448 -5.796 1.00 1.75 H new ATOM 0 HG23 ILE A 175 4.124 -5.131 -4.600 1.00 1.75 H new ATOM 0 HD11 ILE A 175 4.739 -1.607 -6.252 1.00 3.04 H new ATOM 0 HD12 ILE A 175 4.341 -2.872 -7.440 1.00 3.04 H new ATOM 0 HD13 ILE A 175 3.720 -2.986 -5.776 1.00 3.04 H new ATOM 2803 N VAL A 176 6.148 -8.098 -4.944 1.00 0.01 N ATOM 2804 CA VAL A 176 6.097 -9.552 -5.304 1.00 0.00 C ATOM 2805 C VAL A 176 4.751 -10.142 -4.876 1.00 0.01 C ATOM 2806 O VAL A 176 4.170 -9.738 -3.889 1.00 0.00 O ATOM 2807 CB VAL A 176 7.214 -10.302 -4.575 1.00 1.38 C ATOM 2808 CG1 VAL A 176 7.330 -11.718 -5.141 1.00 1.88 C ATOM 2809 CG2 VAL A 176 8.538 -9.564 -4.778 1.00 1.89 C ATOM 0 H VAL A 176 5.781 -7.871 -4.020 1.00 0.01 H new ATOM 0 HA VAL A 176 6.222 -9.654 -6.382 1.00 0.00 H new ATOM 0 HB VAL A 176 6.984 -10.353 -3.511 1.00 1.38 H new ATOM 0 HG11 VAL A 176 8.125 -12.253 -4.622 1.00 1.88 H new ATOM 0 HG12 VAL A 176 6.386 -12.245 -5.000 1.00 1.88 H new ATOM 0 HG13 VAL A 176 7.561 -11.667 -6.205 1.00 1.88 H new ATOM 0 HG21 VAL A 176 9.335 -10.097 -4.259 1.00 1.89 H new ATOM 0 HG22 VAL A 176 8.768 -9.515 -5.842 1.00 1.89 H new ATOM 0 HG23 VAL A 176 8.457 -8.554 -4.377 1.00 1.89 H new ATOM 2819 N GLU A 177 4.254 -11.099 -5.613 1.00 0.01 N ATOM 2820 CA GLU A 177 2.948 -11.729 -5.260 1.00 0.01 C ATOM 2821 C GLU A 177 2.908 -13.158 -5.809 1.00 0.01 C ATOM 2822 CB GLU A 177 1.806 -10.916 -5.873 1.00 2.15 C ATOM 2823 CG GLU A 177 0.480 -11.334 -5.234 1.00 3.19 C ATOM 2824 CD GLU A 177 -0.676 -10.629 -5.946 1.00 4.20 C ATOM 2825 OE1 GLU A 177 -0.788 -9.423 -5.799 1.00 4.77 O ATOM 2826 OE2 GLU A 177 -1.429 -11.306 -6.626 1.00 4.89 O ATOM 0 H GLU A 177 4.700 -11.474 -6.450 1.00 0.01 H new ATOM 0 HA GLU A 177 2.836 -11.751 -4.176 1.00 0.01 H new ATOM 0 HB2 GLU A 177 1.978 -9.851 -5.715 1.00 2.15 H new ATOM 0 HB3 GLU A 177 1.769 -11.077 -6.950 1.00 2.15 H new ATOM 0 HG2 GLU A 177 0.357 -12.415 -5.301 1.00 3.19 H new ATOM 0 HG3 GLU A 177 0.478 -11.078 -4.174 1.00 3.19 H new TER 2833 GLU A 177