USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 602 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 6 TYR OH : rot -22:sc= 1.82 USER MOD Set 1.2: A 42 LYS NZ :NH3+ -179:sc= 1.93 (180deg=0.924) USER MOD Single : A 1 ASN : amide:sc= 0.534 K(o=0.53,f=-6.8!) USER MOD Single : A 1 ASN N :NH3+ 153:sc= 1.25 (180deg=0.779) USER MOD Single : A 2 SER OG : rot -0:sc= 1.2 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot -57:sc= 0.336 USER MOD Single : A 8 GLN : amide:sc= -0.798 K(o=-0.8,f=-7.1!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.201 USER MOD Single : A 12 MET CE :methyl -172:sc= 0 (180deg=-0.0761) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.834 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.56 K(o=-1.6,f=-0.11) USER MOD Single : A 24 ASN : amide:sc= -5.85! C(o=-5.9!,f=-3.6!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -68:sc= 0.399 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 30:sc=-0.00212 USER MOD Single : A 48 ASN : amide:sc= -1.15 K(o=-1.1,f=-4.4!) USER MOD Single : A 53 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.096) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.728 K(o=0.73,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -1.457 17.295 -9.590 1.00 4.10 N ATOM 2 CA ASN A 1 -2.080 17.039 -8.275 1.00 3.90 C ATOM 3 C ASN A 1 -1.786 15.595 -7.907 1.00 2.83 C ATOM 4 O ASN A 1 -1.507 14.820 -8.819 1.00 2.88 O ATOM 5 CB ASN A 1 -3.605 17.263 -8.302 1.00 5.06 C ATOM 6 CG ASN A 1 -3.985 18.649 -8.813 1.00 5.99 C ATOM 7 OD1 ASN A 1 -3.216 19.251 -9.558 1.00 5.78 O ATOM 8 ND2 ASN A 1 -5.155 19.157 -8.442 1.00 7.34 N ATOM 0 H1 ASN A 1 -1.978 18.050 -10.080 1.00 4.10 H new ATOM 0 H2 ASN A 1 -0.468 17.588 -9.455 1.00 4.10 H new ATOM 0 H3 ASN A 1 -1.485 16.427 -10.162 1.00 4.10 H new ATOM 0 HA ASN A 1 -1.669 17.734 -7.543 1.00 3.90 H new ATOM 0 HB2 ASN A 1 -4.068 16.507 -8.935 1.00 5.06 H new ATOM 0 HB3 ASN A 1 -4.006 17.127 -7.298 1.00 5.06 H new ATOM 0 HD21 ASN A 1 -5.441 20.077 -8.777 1.00 7.34 H new ATOM 0 HD22 ASN A 1 -5.767 18.627 -7.822 1.00 7.34 H new ATOM 17 N SER A 2 -1.857 15.225 -6.625 1.00 2.66 N ATOM 18 CA SER A 2 -1.798 13.816 -6.257 1.00 1.78 C ATOM 19 C SER A 2 -3.071 13.139 -6.761 1.00 1.54 C ATOM 20 O SER A 2 -4.158 13.711 -6.682 1.00 2.14 O ATOM 21 CB SER A 2 -1.657 13.646 -4.738 1.00 2.12 C ATOM 22 OG SER A 2 -1.276 12.329 -4.372 1.00 3.34 O ATOM 0 H SER A 2 -1.954 15.871 -5.841 1.00 2.66 H new ATOM 0 HA SER A 2 -0.922 13.354 -6.713 1.00 1.78 H new ATOM 0 HB2 SER A 2 -0.916 14.352 -4.364 1.00 2.12 H new ATOM 0 HB3 SER A 2 -2.604 13.893 -4.258 1.00 2.12 H new ATOM 0 HG SER A 2 -1.186 11.779 -5.178 1.00 3.34 H new ATOM 28 N SER A 3 -2.923 11.916 -7.254 1.00 1.03 N ATOM 29 CA SER A 3 -4.013 10.992 -7.499 1.00 1.01 C ATOM 30 C SER A 3 -4.210 10.157 -6.229 1.00 0.93 C ATOM 31 O SER A 3 -3.446 10.296 -5.270 1.00 1.23 O ATOM 32 CB SER A 3 -3.654 10.115 -8.705 1.00 1.10 C ATOM 33 OG SER A 3 -3.143 10.910 -9.758 1.00 2.11 O ATOM 0 H SER A 3 -2.011 11.532 -7.501 1.00 1.03 H new ATOM 0 HA SER A 3 -4.943 11.512 -7.728 1.00 1.01 H new ATOM 0 HB2 SER A 3 -2.915 9.369 -8.413 1.00 1.10 H new ATOM 0 HB3 SER A 3 -4.537 9.574 -9.045 1.00 1.10 H new ATOM 0 HG SER A 3 -2.917 10.337 -10.520 1.00 2.11 H new ATOM 39 N LYS A 4 -5.206 9.269 -6.214 1.00 1.18 N ATOM 40 CA LYS A 4 -5.279 8.240 -5.192 1.00 1.17 C ATOM 41 C LYS A 4 -6.030 7.020 -5.711 1.00 1.13 C ATOM 42 O LYS A 4 -6.890 7.175 -6.577 1.00 1.23 O ATOM 43 CB LYS A 4 -5.867 8.775 -3.874 1.00 1.17 C ATOM 44 CG LYS A 4 -7.381 9.008 -3.830 1.00 2.23 C ATOM 45 CD LYS A 4 -7.843 10.110 -4.795 1.00 3.73 C ATOM 46 CE LYS A 4 -9.309 10.480 -4.531 1.00 4.47 C ATOM 47 NZ LYS A 4 -9.802 11.512 -5.471 1.00 6.17 N ATOM 0 H LYS A 4 -5.965 9.247 -6.895 1.00 1.18 H new ATOM 0 HA LYS A 4 -4.262 7.925 -4.960 1.00 1.17 H new ATOM 0 HB2 LYS A 4 -5.609 8.075 -3.079 1.00 1.17 H new ATOM 0 HB3 LYS A 4 -5.372 9.718 -3.641 1.00 1.17 H new ATOM 0 HG2 LYS A 4 -7.894 8.078 -4.075 1.00 2.23 H new ATOM 0 HG3 LYS A 4 -7.673 9.275 -2.814 1.00 2.23 H new ATOM 0 HD2 LYS A 4 -7.213 10.992 -4.677 1.00 3.73 H new ATOM 0 HD3 LYS A 4 -7.728 9.771 -5.825 1.00 3.73 H new ATOM 0 HE2 LYS A 4 -9.929 9.587 -4.616 1.00 4.47 H new ATOM 0 HE3 LYS A 4 -9.412 10.843 -3.508 1.00 4.47 H new ATOM 0 HZ1 LYS A 4 -10.796 11.731 -5.256 1.00 6.17 H new ATOM 0 HZ2 LYS A 4 -9.228 12.374 -5.372 1.00 6.17 H new ATOM 0 HZ3 LYS A 4 -9.729 11.157 -6.446 1.00 6.17 H new ATOM 61 N CYS A 5 -5.716 5.839 -5.175 1.00 1.12 N ATOM 62 CA CYS A 5 -6.445 4.596 -5.419 1.00 1.05 C ATOM 63 C CYS A 5 -6.595 3.840 -4.098 1.00 0.99 C ATOM 64 O CYS A 5 -5.803 4.040 -3.174 1.00 1.01 O ATOM 65 CB CYS A 5 -5.699 3.774 -6.474 1.00 1.10 C ATOM 66 SG CYS A 5 -6.517 2.205 -6.829 1.00 1.62 S ATOM 0 H CYS A 5 -4.925 5.719 -4.542 1.00 1.12 H new ATOM 0 HA CYS A 5 -7.444 4.799 -5.804 1.00 1.05 H new ATOM 0 HB2 CYS A 5 -5.619 4.355 -7.393 1.00 1.10 H new ATOM 0 HB3 CYS A 5 -4.683 3.581 -6.129 1.00 1.10 H new ATOM 0 HG CYS A 5 -6.645 1.524 -5.729 1.00 1.62 H new ATOM 72 N TYR A 6 -7.622 2.995 -3.986 1.00 0.98 N ATOM 73 CA TYR A 6 -7.865 2.150 -2.830 1.00 0.96 C ATOM 74 C TYR A 6 -7.375 0.756 -3.190 1.00 0.92 C ATOM 75 O TYR A 6 -7.334 0.387 -4.362 1.00 1.00 O ATOM 76 CB TYR A 6 -9.357 2.152 -2.461 1.00 0.98 C ATOM 77 CG TYR A 6 -9.784 3.184 -1.431 1.00 0.76 C ATOM 78 CD1 TYR A 6 -9.112 4.416 -1.301 1.00 1.90 C ATOM 79 CD2 TYR A 6 -10.823 2.865 -0.535 1.00 1.95 C ATOM 80 CE1 TYR A 6 -9.381 5.253 -0.205 1.00 1.96 C ATOM 81 CE2 TYR A 6 -11.109 3.715 0.545 1.00 2.19 C ATOM 82 CZ TYR A 6 -10.350 4.879 0.739 1.00 1.40 C ATOM 83 OH TYR A 6 -10.440 5.533 1.932 1.00 2.12 O ATOM 0 H TYR A 6 -8.322 2.882 -4.719 1.00 0.98 H new ATOM 0 HA TYR A 6 -7.333 2.519 -1.953 1.00 0.96 H new ATOM 0 HB2 TYR A 6 -9.936 2.313 -3.370 1.00 0.98 H new ATOM 0 HB3 TYR A 6 -9.620 1.163 -2.087 1.00 0.98 H new ATOM 0 HD1 TYR A 6 -8.389 4.717 -2.045 1.00 1.90 H new ATOM 0 HD2 TYR A 6 -11.401 1.964 -0.679 1.00 1.95 H new ATOM 0 HE1 TYR A 6 -8.843 6.182 -0.089 1.00 1.96 H new ATOM 0 HE2 TYR A 6 -11.912 3.473 1.226 1.00 2.19 H new ATOM 0 HH TYR A 6 -9.586 5.971 2.130 1.00 2.12 H new ATOM 93 N ILE A 7 -6.936 0.001 -2.190 1.00 0.93 N ATOM 94 CA ILE A 7 -6.346 -1.314 -2.360 1.00 0.90 C ATOM 95 C ILE A 7 -6.821 -2.115 -1.145 1.00 0.94 C ATOM 96 O ILE A 7 -6.722 -1.653 -0.010 1.00 1.14 O ATOM 97 CB ILE A 7 -4.803 -1.199 -2.524 1.00 0.93 C ATOM 98 CG1 ILE A 7 -4.431 -0.164 -3.611 1.00 1.59 C ATOM 99 CG2 ILE A 7 -4.139 -2.534 -2.898 1.00 0.83 C ATOM 100 CD1 ILE A 7 -2.948 -0.101 -3.993 1.00 1.83 C ATOM 0 H ILE A 7 -6.983 0.297 -1.215 1.00 0.93 H new ATOM 0 HA ILE A 7 -6.656 -1.829 -3.269 1.00 0.90 H new ATOM 0 HB ILE A 7 -4.433 -0.882 -1.549 1.00 0.93 H new ATOM 0 HG12 ILE A 7 -5.009 -0.384 -4.509 1.00 1.59 H new ATOM 0 HG13 ILE A 7 -4.740 0.823 -3.267 1.00 1.59 H new ATOM 0 HG21 ILE A 7 -3.063 -2.390 -2.998 1.00 0.83 H new ATOM 0 HG22 ILE A 7 -4.335 -3.269 -2.118 1.00 0.83 H new ATOM 0 HG23 ILE A 7 -4.547 -2.891 -3.844 1.00 0.83 H new ATOM 0 HD11 ILE A 7 -2.802 0.657 -4.762 1.00 1.83 H new ATOM 0 HD12 ILE A 7 -2.356 0.155 -3.114 1.00 1.83 H new ATOM 0 HD13 ILE A 7 -2.629 -1.071 -4.375 1.00 1.83 H new ATOM 112 N GLN A 8 -7.430 -3.276 -1.359 1.00 0.94 N ATOM 113 CA GLN A 8 -7.785 -4.177 -0.291 1.00 0.94 C ATOM 114 C GLN A 8 -6.566 -5.074 -0.072 1.00 0.92 C ATOM 115 O GLN A 8 -5.965 -5.535 -1.043 1.00 0.98 O ATOM 116 CB GLN A 8 -9.085 -4.889 -0.655 1.00 1.12 C ATOM 117 CG GLN A 8 -9.227 -6.257 -0.003 1.00 1.37 C ATOM 118 CD GLN A 8 -9.179 -6.267 1.528 1.00 1.94 C ATOM 119 OE1 GLN A 8 -8.816 -5.284 2.164 1.00 2.71 O ATOM 120 NE2 GLN A 8 -9.543 -7.390 2.136 1.00 2.73 N ATOM 0 H GLN A 8 -7.689 -3.612 -2.287 1.00 0.94 H new ATOM 0 HA GLN A 8 -8.003 -3.690 0.660 1.00 0.94 H new ATOM 0 HB2 GLN A 8 -9.928 -4.264 -0.359 1.00 1.12 H new ATOM 0 HB3 GLN A 8 -9.137 -5.003 -1.738 1.00 1.12 H new ATOM 0 HG2 GLN A 8 -10.172 -6.696 -0.322 1.00 1.37 H new ATOM 0 HG3 GLN A 8 -8.433 -6.903 -0.378 1.00 1.37 H new ATOM 0 HE21 GLN A 8 -9.841 -8.195 1.585 1.00 2.73 H new ATOM 0 HE22 GLN A 8 -9.524 -7.448 3.154 1.00 2.73 H new ATOM 129 N VAL A 9 -6.192 -5.268 1.193 1.00 0.93 N ATOM 130 CA VAL A 9 -5.021 -6.026 1.620 1.00 0.94 C ATOM 131 C VAL A 9 -5.438 -7.062 2.665 1.00 1.08 C ATOM 132 O VAL A 9 -6.592 -7.097 3.086 1.00 1.48 O ATOM 133 CB VAL A 9 -3.946 -5.069 2.168 1.00 1.03 C ATOM 134 CG1 VAL A 9 -3.344 -4.224 1.039 1.00 2.25 C ATOM 135 CG2 VAL A 9 -4.489 -4.159 3.279 1.00 2.36 C ATOM 0 H VAL A 9 -6.719 -4.885 1.978 1.00 0.93 H new ATOM 0 HA VAL A 9 -4.591 -6.554 0.769 1.00 0.94 H new ATOM 0 HB VAL A 9 -3.164 -5.689 2.605 1.00 1.03 H new ATOM 0 HG11 VAL A 9 -2.587 -3.555 1.449 1.00 2.25 H new ATOM 0 HG12 VAL A 9 -2.886 -4.880 0.298 1.00 2.25 H new ATOM 0 HG13 VAL A 9 -4.130 -3.636 0.566 1.00 2.25 H new ATOM 0 HG21 VAL A 9 -3.694 -3.503 3.633 1.00 2.36 H new ATOM 0 HG22 VAL A 9 -5.309 -3.557 2.888 1.00 2.36 H new ATOM 0 HG23 VAL A 9 -4.850 -4.770 4.106 1.00 2.36 H new ATOM 145 N THR A 10 -4.499 -7.904 3.103 1.00 1.36 N ATOM 146 CA THR A 10 -4.716 -8.830 4.202 1.00 1.85 C ATOM 147 C THR A 10 -3.461 -8.884 5.074 1.00 1.78 C ATOM 148 O THR A 10 -2.503 -8.149 4.836 1.00 3.00 O ATOM 149 CB THR A 10 -5.168 -10.196 3.663 1.00 2.27 C ATOM 150 OG1 THR A 10 -5.599 -11.007 4.736 1.00 3.92 O ATOM 151 CG2 THR A 10 -4.067 -10.917 2.878 1.00 2.10 C ATOM 0 H THR A 10 -3.564 -7.958 2.699 1.00 1.36 H new ATOM 0 HA THR A 10 -5.526 -8.486 4.845 1.00 1.85 H new ATOM 0 HB THR A 10 -5.989 -10.015 2.969 1.00 2.27 H new ATOM 0 HG1 THR A 10 -5.889 -11.878 4.392 1.00 3.92 H new ATOM 0 HG21 THR A 10 -4.443 -11.876 2.521 1.00 2.10 H new ATOM 0 HG22 THR A 10 -3.767 -10.306 2.027 1.00 2.10 H new ATOM 0 HG23 THR A 10 -3.207 -11.083 3.527 1.00 2.10 H new ATOM 159 N GLY A 11 -3.520 -9.685 6.137 1.00 1.52 N ATOM 160 CA GLY A 11 -2.610 -9.646 7.276 1.00 1.58 C ATOM 161 C GLY A 11 -3.163 -8.578 8.203 1.00 1.77 C ATOM 162 O GLY A 11 -3.526 -8.839 9.347 1.00 2.89 O ATOM 0 H GLY A 11 -4.233 -10.408 6.230 1.00 1.52 H new ATOM 0 HA2 GLY A 11 -2.565 -10.614 7.775 1.00 1.58 H new ATOM 0 HA3 GLY A 11 -1.596 -9.403 6.959 1.00 1.58 H new ATOM 166 N MET A 12 -3.341 -7.383 7.632 1.00 1.51 N ATOM 167 CA MET A 12 -4.211 -6.327 8.085 1.00 1.59 C ATOM 168 C MET A 12 -3.504 -5.538 9.173 1.00 2.09 C ATOM 169 O MET A 12 -3.249 -4.347 9.029 1.00 2.78 O ATOM 170 CB MET A 12 -5.581 -6.857 8.516 1.00 2.09 C ATOM 171 CG MET A 12 -6.595 -5.718 8.398 1.00 2.13 C ATOM 172 SD MET A 12 -8.297 -6.083 8.898 1.00 2.88 S ATOM 173 CE MET A 12 -8.737 -7.380 7.721 1.00 3.29 C ATOM 0 H MET A 12 -2.840 -7.124 6.782 1.00 1.51 H new ATOM 0 HA MET A 12 -4.422 -5.650 7.257 1.00 1.59 H new ATOM 0 HB2 MET A 12 -5.878 -7.697 7.888 1.00 2.09 H new ATOM 0 HB3 MET A 12 -5.541 -7.225 9.541 1.00 2.09 H new ATOM 0 HG2 MET A 12 -6.237 -4.881 8.998 1.00 2.13 H new ATOM 0 HG3 MET A 12 -6.610 -5.383 7.361 1.00 2.13 H new ATOM 0 HE1 MET A 12 -9.799 -7.607 7.810 1.00 3.29 H new ATOM 0 HE2 MET A 12 -8.522 -7.040 6.708 1.00 3.29 H new ATOM 0 HE3 MET A 12 -8.155 -8.277 7.934 1.00 3.29 H new ATOM 183 N THR A 13 -3.139 -6.255 10.230 1.00 2.46 N ATOM 184 CA THR A 13 -2.034 -5.936 11.099 1.00 3.29 C ATOM 185 C THR A 13 -1.636 -7.240 11.789 1.00 2.61 C ATOM 186 O THR A 13 -2.270 -7.659 12.755 1.00 3.00 O ATOM 187 CB THR A 13 -2.371 -4.769 12.042 1.00 4.81 C ATOM 188 OG1 THR A 13 -1.241 -4.460 12.831 1.00 5.95 O ATOM 189 CG2 THR A 13 -3.591 -4.980 12.946 1.00 5.22 C ATOM 0 H THR A 13 -3.629 -7.105 10.508 1.00 2.46 H new ATOM 0 HA THR A 13 -1.171 -5.560 10.549 1.00 3.29 H new ATOM 0 HB THR A 13 -2.644 -3.941 11.388 1.00 4.81 H new ATOM 0 HG1 THR A 13 -1.455 -3.715 13.431 1.00 5.95 H new ATOM 0 HG21 THR A 13 -3.739 -4.098 13.569 1.00 5.22 H new ATOM 0 HG22 THR A 13 -4.476 -5.142 12.331 1.00 5.22 H new ATOM 0 HG23 THR A 13 -3.427 -5.850 13.582 1.00 5.22 H new ATOM 197 N CYS A 14 -0.593 -7.896 11.277 1.00 2.13 N ATOM 198 CA CYS A 14 -0.022 -9.108 11.856 1.00 1.73 C ATOM 199 C CYS A 14 0.738 -8.739 13.143 1.00 1.97 C ATOM 200 O CYS A 14 1.935 -8.982 13.258 1.00 3.17 O ATOM 201 CB CYS A 14 0.920 -9.792 10.847 1.00 1.95 C ATOM 202 SG CYS A 14 0.328 -9.706 9.133 1.00 2.00 S ATOM 0 H CYS A 14 -0.113 -7.591 10.430 1.00 2.13 H new ATOM 0 HA CYS A 14 -0.821 -9.809 12.097 1.00 1.73 H new ATOM 0 HB2 CYS A 14 1.904 -9.327 10.907 1.00 1.95 H new ATOM 0 HB3 CYS A 14 1.044 -10.838 11.128 1.00 1.95 H new ATOM 207 N ALA A 15 0.063 -8.077 14.084 1.00 1.85 N ATOM 208 CA ALA A 15 0.676 -7.306 15.154 1.00 2.06 C ATOM 209 C ALA A 15 1.715 -6.321 14.607 1.00 1.92 C ATOM 210 O ALA A 15 2.916 -6.475 14.815 1.00 2.98 O ATOM 211 CB ALA A 15 1.236 -8.228 16.244 1.00 2.49 C ATOM 0 H ALA A 15 -0.956 -8.066 14.119 1.00 1.85 H new ATOM 0 HA ALA A 15 -0.096 -6.699 15.628 1.00 2.06 H new ATOM 0 HB1 ALA A 15 1.689 -7.626 17.032 1.00 2.49 H new ATOM 0 HB2 ALA A 15 0.428 -8.827 16.664 1.00 2.49 H new ATOM 0 HB3 ALA A 15 1.990 -8.886 15.812 1.00 2.49 H new ATOM 217 N SER A 16 1.225 -5.277 13.927 1.00 1.34 N ATOM 218 CA SER A 16 2.000 -4.109 13.517 1.00 1.46 C ATOM 219 C SER A 16 2.871 -4.354 12.285 1.00 1.44 C ATOM 220 O SER A 16 3.775 -3.572 12.014 1.00 1.79 O ATOM 221 CB SER A 16 2.829 -3.537 14.667 1.00 2.51 C ATOM 222 OG SER A 16 2.077 -3.502 15.869 1.00 3.67 O ATOM 0 H SER A 16 0.248 -5.224 13.640 1.00 1.34 H new ATOM 0 HA SER A 16 1.260 -3.363 13.228 1.00 1.46 H new ATOM 0 HB2 SER A 16 3.724 -4.143 14.811 1.00 2.51 H new ATOM 0 HB3 SER A 16 3.163 -2.531 14.414 1.00 2.51 H new ATOM 0 HG SER A 16 2.629 -3.134 16.590 1.00 3.67 H new ATOM 228 N CYS A 17 2.539 -5.361 11.479 1.00 1.56 N ATOM 229 CA CYS A 17 3.071 -5.556 10.129 1.00 1.97 C ATOM 230 C CYS A 17 2.904 -4.268 9.322 1.00 1.64 C ATOM 231 O CYS A 17 3.723 -3.906 8.478 1.00 1.74 O ATOM 232 CB CYS A 17 2.322 -6.714 9.448 1.00 2.43 C ATOM 233 SG CYS A 17 3.487 -7.970 8.860 1.00 3.55 S ATOM 0 H CYS A 17 1.874 -6.084 11.753 1.00 1.56 H new ATOM 0 HA CYS A 17 4.132 -5.802 10.183 1.00 1.97 H new ATOM 0 HB2 CYS A 17 1.619 -7.163 10.150 1.00 2.43 H new ATOM 0 HB3 CYS A 17 1.737 -6.333 8.611 1.00 2.43 H new ATOM 238 N VAL A 18 1.831 -3.542 9.626 1.00 1.33 N ATOM 239 CA VAL A 18 1.571 -2.252 9.030 1.00 1.24 C ATOM 240 C VAL A 18 2.758 -1.306 9.196 1.00 0.96 C ATOM 241 O VAL A 18 3.129 -0.624 8.254 1.00 0.96 O ATOM 242 CB VAL A 18 0.292 -1.661 9.603 1.00 1.29 C ATOM 243 CG1 VAL A 18 -0.908 -2.496 9.146 1.00 2.55 C ATOM 244 CG2 VAL A 18 0.270 -1.566 11.121 1.00 2.17 C ATOM 0 H VAL A 18 1.121 -3.840 10.295 1.00 1.33 H new ATOM 0 HA VAL A 18 1.432 -2.389 7.958 1.00 1.24 H new ATOM 0 HB VAL A 18 0.242 -0.640 9.225 1.00 1.29 H new ATOM 0 HG11 VAL A 18 -1.824 -2.072 9.557 1.00 2.55 H new ATOM 0 HG12 VAL A 18 -0.962 -2.490 8.057 1.00 2.55 H new ATOM 0 HG13 VAL A 18 -0.793 -3.521 9.498 1.00 2.55 H new ATOM 0 HG21 VAL A 18 -0.677 -1.134 11.445 1.00 2.17 H new ATOM 0 HG22 VAL A 18 0.380 -2.562 11.550 1.00 2.17 H new ATOM 0 HG23 VAL A 18 1.091 -0.934 11.458 1.00 2.17 H new ATOM 254 N ALA A 19 3.396 -1.319 10.364 1.00 0.85 N ATOM 255 CA ALA A 19 4.603 -0.554 10.645 1.00 0.76 C ATOM 256 C ALA A 19 5.673 -0.851 9.591 1.00 0.87 C ATOM 257 O ALA A 19 6.300 0.057 9.038 1.00 0.83 O ATOM 258 CB ALA A 19 5.102 -0.912 12.048 1.00 0.90 C ATOM 0 H ALA A 19 3.079 -1.875 11.158 1.00 0.85 H new ATOM 0 HA ALA A 19 4.384 0.513 10.606 1.00 0.76 H new ATOM 0 HB1 ALA A 19 6.006 -0.344 12.268 1.00 0.90 H new ATOM 0 HB2 ALA A 19 4.333 -0.668 12.781 1.00 0.90 H new ATOM 0 HB3 ALA A 19 5.323 -1.978 12.095 1.00 0.90 H new ATOM 264 N ASN A 20 5.862 -2.140 9.292 1.00 1.12 N ATOM 265 CA ASN A 20 6.714 -2.562 8.193 1.00 1.29 C ATOM 266 C ASN A 20 6.191 -1.948 6.900 1.00 1.13 C ATOM 267 O ASN A 20 6.957 -1.317 6.180 1.00 1.09 O ATOM 268 CB ASN A 20 6.835 -4.096 8.126 1.00 1.64 C ATOM 269 CG ASN A 20 7.011 -4.621 6.701 1.00 1.89 C ATOM 270 OD1 ASN A 20 8.123 -4.917 6.277 1.00 2.11 O ATOM 271 ND2 ASN A 20 5.923 -4.732 5.942 1.00 1.97 N ATOM 0 H ASN A 20 5.430 -2.909 9.804 1.00 1.12 H new ATOM 0 HA ASN A 20 7.730 -2.201 8.355 1.00 1.29 H new ATOM 0 HB2 ASN A 20 7.683 -4.415 8.732 1.00 1.64 H new ATOM 0 HB3 ASN A 20 5.944 -4.545 8.565 1.00 1.64 H new ATOM 0 HD21 ASN A 20 6.003 -5.070 4.983 1.00 1.97 H new ATOM 0 HD22 ASN A 20 5.010 -4.479 6.319 1.00 1.97 H new ATOM 278 N ILE A 21 4.906 -2.129 6.589 1.00 1.15 N ATOM 279 CA ILE A 21 4.342 -1.711 5.321 1.00 1.26 C ATOM 280 C ILE A 21 4.592 -0.210 5.131 1.00 1.04 C ATOM 281 O ILE A 21 5.231 0.157 4.150 1.00 1.16 O ATOM 282 CB ILE A 21 2.852 -2.116 5.237 1.00 1.46 C ATOM 283 CG1 ILE A 21 2.698 -3.648 5.176 1.00 1.99 C ATOM 284 CG2 ILE A 21 2.138 -1.477 4.045 1.00 1.86 C ATOM 285 CD1 ILE A 21 1.241 -4.112 5.075 1.00 1.99 C ATOM 0 H ILE A 21 4.233 -2.571 7.215 1.00 1.15 H new ATOM 0 HA ILE A 21 4.832 -2.221 4.492 1.00 1.26 H new ATOM 0 HB ILE A 21 2.380 -1.742 6.146 1.00 1.46 H new ATOM 0 HG12 ILE A 21 3.252 -4.027 4.317 1.00 1.99 H new ATOM 0 HG13 ILE A 21 3.150 -4.086 6.066 1.00 1.99 H new ATOM 0 HG21 ILE A 21 1.095 -1.794 4.033 1.00 1.86 H new ATOM 0 HG22 ILE A 21 2.186 -0.391 4.131 1.00 1.86 H new ATOM 0 HG23 ILE A 21 2.623 -1.789 3.120 1.00 1.86 H new ATOM 0 HD11 ILE A 21 1.208 -5.201 5.036 1.00 1.99 H new ATOM 0 HD12 ILE A 21 0.687 -3.763 5.946 1.00 1.99 H new ATOM 0 HD13 ILE A 21 0.791 -3.703 4.171 1.00 1.99 H new ATOM 297 N GLU A 22 4.158 0.643 6.061 1.00 0.87 N ATOM 298 CA GLU A 22 4.460 2.065 6.129 1.00 0.88 C ATOM 299 C GLU A 22 5.919 2.332 5.750 1.00 0.86 C ATOM 300 O GLU A 22 6.208 3.028 4.774 1.00 1.10 O ATOM 301 CB GLU A 22 4.208 2.544 7.567 1.00 0.91 C ATOM 302 CG GLU A 22 2.728 2.553 7.963 1.00 1.28 C ATOM 303 CD GLU A 22 2.556 2.431 9.472 1.00 2.19 C ATOM 304 OE1 GLU A 22 3.323 3.126 10.174 1.00 2.72 O ATOM 305 OE2 GLU A 22 1.672 1.655 9.891 1.00 3.13 O ATOM 0 H GLU A 22 3.555 0.339 6.825 1.00 0.87 H new ATOM 0 HA GLU A 22 3.823 2.603 5.426 1.00 0.88 H new ATOM 0 HB2 GLU A 22 4.755 1.901 8.256 1.00 0.91 H new ATOM 0 HB3 GLU A 22 4.612 3.550 7.681 1.00 0.91 H new ATOM 0 HG2 GLU A 22 2.262 3.475 7.616 1.00 1.28 H new ATOM 0 HG3 GLU A 22 2.212 1.730 7.469 1.00 1.28 H new ATOM 312 N ARG A 23 6.842 1.761 6.528 1.00 0.77 N ATOM 313 CA ARG A 23 8.265 1.864 6.304 1.00 0.97 C ATOM 314 C ARG A 23 8.630 1.464 4.871 1.00 1.04 C ATOM 315 O ARG A 23 9.492 2.096 4.262 1.00 1.20 O ATOM 316 CB ARG A 23 8.950 1.008 7.382 1.00 1.14 C ATOM 317 CG ARG A 23 10.473 1.074 7.368 1.00 2.08 C ATOM 318 CD ARG A 23 11.108 0.188 6.281 1.00 3.78 C ATOM 319 NE ARG A 23 12.374 -0.416 6.730 1.00 4.93 N ATOM 320 CZ ARG A 23 13.535 0.239 6.894 1.00 5.78 C ATOM 321 NH1 ARG A 23 13.595 1.550 6.643 1.00 5.95 N ATOM 322 NH2 ARG A 23 14.622 -0.420 7.312 1.00 6.97 N ATOM 0 H ARG A 23 6.603 1.203 7.348 1.00 0.77 H new ATOM 0 HA ARG A 23 8.614 2.893 6.396 1.00 0.97 H new ATOM 0 HB2 ARG A 23 8.594 1.327 8.362 1.00 1.14 H new ATOM 0 HB3 ARG A 23 8.643 -0.030 7.253 1.00 1.14 H new ATOM 0 HG2 ARG A 23 10.784 2.107 7.213 1.00 2.08 H new ATOM 0 HG3 ARG A 23 10.852 0.770 8.343 1.00 2.08 H new ATOM 0 HD2 ARG A 23 10.409 -0.601 6.002 1.00 3.78 H new ATOM 0 HD3 ARG A 23 11.288 0.785 5.387 1.00 3.78 H new ATOM 0 HE ARG A 23 12.369 -1.415 6.933 1.00 4.93 H new ATOM 0 HH11 ARG A 23 12.762 2.048 6.329 1.00 5.95 H new ATOM 0 HH12 ARG A 23 14.474 2.053 6.766 1.00 5.95 H new ATOM 0 HH21 ARG A 23 14.569 -1.420 7.506 1.00 6.97 H new ATOM 0 HH22 ARG A 23 15.504 0.078 7.436 1.00 6.97 H new ATOM 336 N ASN A 24 7.995 0.421 4.331 1.00 1.06 N ATOM 337 CA ASN A 24 8.296 -0.131 3.029 1.00 1.30 C ATOM 338 C ASN A 24 7.824 0.857 1.950 1.00 1.20 C ATOM 339 O ASN A 24 8.634 1.325 1.158 1.00 1.31 O ATOM 340 CB ASN A 24 7.731 -1.568 2.995 1.00 1.66 C ATOM 341 CG ASN A 24 6.788 -1.882 1.863 1.00 2.10 C ATOM 342 OD1 ASN A 24 7.193 -2.293 0.786 1.00 3.26 O ATOM 343 ND2 ASN A 24 5.502 -1.747 2.148 1.00 2.09 N ATOM 0 H ASN A 24 7.238 -0.069 4.809 1.00 1.06 H new ATOM 0 HA ASN A 24 9.359 -0.244 2.816 1.00 1.30 H new ATOM 0 HB2 ASN A 24 8.568 -2.265 2.948 1.00 1.66 H new ATOM 0 HB3 ASN A 24 7.213 -1.755 3.935 1.00 1.66 H new ATOM 0 HD21 ASN A 24 4.797 -1.991 1.452 1.00 2.09 H new ATOM 0 HD22 ASN A 24 5.216 -1.399 3.063 1.00 2.09 H new ATOM 350 N LEU A 25 6.558 1.283 1.974 1.00 1.07 N ATOM 351 CA LEU A 25 5.992 2.173 0.961 1.00 0.98 C ATOM 352 C LEU A 25 6.661 3.539 0.956 1.00 1.02 C ATOM 353 O LEU A 25 6.688 4.207 -0.073 1.00 1.18 O ATOM 354 CB LEU A 25 4.489 2.347 1.182 1.00 0.83 C ATOM 355 CG LEU A 25 3.606 1.197 0.673 1.00 1.19 C ATOM 356 CD1 LEU A 25 4.288 -0.018 0.032 1.00 1.52 C ATOM 357 CD2 LEU A 25 2.740 0.713 1.835 1.00 2.41 C ATOM 0 H LEU A 25 5.895 1.018 2.702 1.00 1.07 H new ATOM 0 HA LEU A 25 6.173 1.705 -0.007 1.00 0.98 H new ATOM 0 HB2 LEU A 25 4.309 2.474 2.249 1.00 0.83 H new ATOM 0 HB3 LEU A 25 4.172 3.268 0.693 1.00 0.83 H new ATOM 0 HG LEU A 25 3.051 1.640 -0.154 1.00 1.19 H new ATOM 0 HD11 LEU A 25 3.531 -0.740 -0.275 1.00 1.52 H new ATOM 0 HD12 LEU A 25 4.858 0.303 -0.840 1.00 1.52 H new ATOM 0 HD13 LEU A 25 4.960 -0.481 0.754 1.00 1.52 H new ATOM 0 HD21 LEU A 25 2.103 -0.105 1.498 1.00 2.41 H new ATOM 0 HD22 LEU A 25 3.380 0.364 2.645 1.00 2.41 H new ATOM 0 HD23 LEU A 25 2.118 1.534 2.192 1.00 2.41 H new ATOM 369 N ARG A 26 7.200 3.979 2.092 1.00 1.12 N ATOM 370 CA ARG A 26 7.883 5.258 2.162 1.00 1.45 C ATOM 371 C ARG A 26 9.187 5.248 1.360 1.00 2.09 C ATOM 372 O ARG A 26 9.718 6.319 1.073 1.00 2.66 O ATOM 373 CB ARG A 26 7.987 5.720 3.618 1.00 1.36 C ATOM 374 CG ARG A 26 6.575 6.140 4.048 1.00 2.02 C ATOM 375 CD ARG A 26 6.401 6.237 5.566 1.00 3.04 C ATOM 376 NE ARG A 26 7.174 7.353 6.132 1.00 3.69 N ATOM 377 CZ ARG A 26 7.077 7.776 7.403 1.00 4.77 C ATOM 378 NH1 ARG A 26 6.276 7.133 8.261 1.00 5.32 N ATOM 379 NH2 ARG A 26 7.777 8.844 7.806 1.00 5.81 N ATOM 0 H ARG A 26 7.174 3.465 2.973 1.00 1.12 H new ATOM 0 HA ARG A 26 7.293 6.028 1.664 1.00 1.45 H new ATOM 0 HB2 ARG A 26 8.363 4.918 4.253 1.00 1.36 H new ATOM 0 HB3 ARG A 26 8.684 6.553 3.711 1.00 1.36 H new ATOM 0 HG2 ARG A 26 6.340 7.106 3.601 1.00 2.02 H new ATOM 0 HG3 ARG A 26 5.855 5.423 3.653 1.00 2.02 H new ATOM 0 HD2 ARG A 26 5.345 6.368 5.804 1.00 3.04 H new ATOM 0 HD3 ARG A 26 6.718 5.303 6.029 1.00 3.04 H new ATOM 0 HE ARG A 26 7.828 7.838 5.518 1.00 3.69 H new ATOM 0 HH11 ARG A 26 5.740 6.323 7.949 1.00 5.32 H new ATOM 0 HH12 ARG A 26 6.201 7.453 9.227 1.00 5.32 H new ATOM 0 HH21 ARG A 26 8.383 9.335 7.148 1.00 5.81 H new ATOM 0 HH22 ARG A 26 7.705 9.167 8.771 1.00 5.81 H new ATOM 393 N ARG A 27 9.699 4.075 0.960 1.00 2.36 N ATOM 394 CA ARG A 27 10.682 4.042 -0.115 1.00 2.92 C ATOM 395 C ARG A 27 10.164 4.659 -1.401 1.00 2.61 C ATOM 396 O ARG A 27 10.926 5.277 -2.137 1.00 3.15 O ATOM 397 CB ARG A 27 11.194 2.624 -0.381 1.00 3.75 C ATOM 398 CG ARG A 27 12.305 2.291 0.613 1.00 3.85 C ATOM 399 CD ARG A 27 13.704 2.636 0.053 1.00 4.50 C ATOM 400 NE ARG A 27 13.862 4.051 -0.347 1.00 5.35 N ATOM 401 CZ ARG A 27 13.754 4.585 -1.583 1.00 6.33 C ATOM 402 NH1 ARG A 27 13.502 3.827 -2.652 1.00 6.34 N ATOM 403 NH2 ARG A 27 13.891 5.904 -1.735 1.00 7.83 N ATOM 0 H ARG A 27 9.454 3.167 1.354 1.00 2.36 H new ATOM 0 HA ARG A 27 11.517 4.651 0.232 1.00 2.92 H new ATOM 0 HB2 ARG A 27 10.378 1.907 -0.285 1.00 3.75 H new ATOM 0 HB3 ARG A 27 11.569 2.546 -1.402 1.00 3.75 H new ATOM 0 HG2 ARG A 27 12.139 2.841 1.540 1.00 3.85 H new ATOM 0 HG3 ARG A 27 12.265 1.230 0.860 1.00 3.85 H new ATOM 0 HD2 ARG A 27 14.454 2.397 0.807 1.00 4.50 H new ATOM 0 HD3 ARG A 27 13.905 2.001 -0.810 1.00 4.50 H new ATOM 0 HE ARG A 27 14.080 4.705 0.404 1.00 5.35 H new ATOM 0 HH11 ARG A 27 13.386 2.819 -2.547 1.00 6.34 H new ATOM 0 HH12 ARG A 27 13.425 4.256 -3.574 1.00 6.34 H new ATOM 0 HH21 ARG A 27 14.075 6.494 -0.924 1.00 7.83 H new ATOM 0 HH22 ARG A 27 13.812 6.321 -2.662 1.00 7.83 H new ATOM 417 N GLU A 28 8.900 4.425 -1.718 1.00 2.25 N ATOM 418 CA GLU A 28 8.475 4.367 -3.092 1.00 2.96 C ATOM 419 C GLU A 28 7.991 5.735 -3.523 1.00 2.00 C ATOM 420 O GLU A 28 6.807 5.958 -3.775 1.00 2.91 O ATOM 421 CB GLU A 28 7.480 3.217 -3.234 1.00 4.83 C ATOM 422 CG GLU A 28 8.042 1.995 -2.481 1.00 5.31 C ATOM 423 CD GLU A 28 7.389 0.705 -2.963 1.00 7.43 C ATOM 424 OE1 GLU A 28 7.454 0.458 -4.186 1.00 8.53 O ATOM 425 OE2 GLU A 28 6.803 0.012 -2.103 1.00 8.17 O ATOM 0 H GLU A 28 8.157 4.273 -1.036 1.00 2.25 H new ATOM 0 HA GLU A 28 9.286 4.138 -3.784 1.00 2.96 H new ATOM 0 HB2 GLU A 28 6.510 3.501 -2.826 1.00 4.83 H new ATOM 0 HB3 GLU A 28 7.325 2.977 -4.286 1.00 4.83 H new ATOM 0 HG2 GLU A 28 9.120 1.937 -2.629 1.00 5.31 H new ATOM 0 HG3 GLU A 28 7.873 2.114 -1.411 1.00 5.31 H new ATOM 432 N GLU A 29 8.974 6.635 -3.595 1.00 1.40 N ATOM 433 CA GLU A 29 8.940 7.911 -4.272 1.00 2.24 C ATOM 434 C GLU A 29 7.940 7.863 -5.436 1.00 1.65 C ATOM 435 O GLU A 29 8.108 7.108 -6.390 1.00 2.12 O ATOM 436 CB GLU A 29 10.386 8.277 -4.651 1.00 3.77 C ATOM 437 CG GLU A 29 11.235 7.150 -5.288 1.00 3.87 C ATOM 438 CD GLU A 29 12.439 6.701 -4.451 1.00 4.50 C ATOM 439 OE1 GLU A 29 12.979 7.500 -3.657 1.00 5.58 O ATOM 440 OE2 GLU A 29 12.833 5.518 -4.563 1.00 4.73 O ATOM 0 H GLU A 29 9.875 6.469 -3.146 1.00 1.40 H new ATOM 0 HA GLU A 29 8.570 8.715 -3.636 1.00 2.24 H new ATOM 0 HB2 GLU A 29 10.355 9.116 -5.346 1.00 3.77 H new ATOM 0 HB3 GLU A 29 10.897 8.625 -3.753 1.00 3.77 H new ATOM 0 HG2 GLU A 29 10.593 6.288 -5.467 1.00 3.87 H new ATOM 0 HG3 GLU A 29 11.592 7.489 -6.260 1.00 3.87 H new ATOM 447 N GLY A 30 6.826 8.579 -5.266 1.00 1.33 N ATOM 448 CA GLY A 30 5.557 8.237 -5.890 1.00 1.10 C ATOM 449 C GLY A 30 4.455 8.377 -4.841 1.00 0.94 C ATOM 450 O GLY A 30 3.444 9.042 -5.046 1.00 1.09 O ATOM 0 H GLY A 30 6.785 9.417 -4.686 1.00 1.33 H new ATOM 0 HA2 GLY A 30 5.361 8.894 -6.737 1.00 1.10 H new ATOM 0 HA3 GLY A 30 5.586 7.218 -6.277 1.00 1.10 H new ATOM 454 N ILE A 31 4.681 7.794 -3.672 1.00 0.90 N ATOM 455 CA ILE A 31 3.705 7.690 -2.602 1.00 0.85 C ATOM 456 C ILE A 31 3.605 9.011 -1.847 1.00 0.91 C ATOM 457 O ILE A 31 4.626 9.604 -1.501 1.00 1.07 O ATOM 458 CB ILE A 31 4.186 6.532 -1.708 1.00 0.90 C ATOM 459 CG1 ILE A 31 3.650 5.242 -2.340 1.00 1.68 C ATOM 460 CG2 ILE A 31 3.892 6.649 -0.207 1.00 1.11 C ATOM 461 CD1 ILE A 31 2.307 4.815 -1.750 1.00 2.94 C ATOM 0 H ILE A 31 5.577 7.368 -3.437 1.00 0.90 H new ATOM 0 HA ILE A 31 2.700 7.487 -2.972 1.00 0.85 H new ATOM 0 HB ILE A 31 5.276 6.549 -1.690 1.00 0.90 H new ATOM 0 HG12 ILE A 31 3.542 5.386 -3.415 1.00 1.68 H new ATOM 0 HG13 ILE A 31 4.377 4.442 -2.197 1.00 1.68 H new ATOM 0 HG21 ILE A 31 4.281 5.772 0.309 1.00 1.11 H new ATOM 0 HG22 ILE A 31 4.370 7.545 0.189 1.00 1.11 H new ATOM 0 HG23 ILE A 31 2.815 6.714 -0.051 1.00 1.11 H new ATOM 0 HD11 ILE A 31 1.973 3.897 -2.233 1.00 2.94 H new ATOM 0 HD12 ILE A 31 2.418 4.643 -0.679 1.00 2.94 H new ATOM 0 HD13 ILE A 31 1.570 5.601 -1.916 1.00 2.94 H new ATOM 473 N TYR A 32 2.373 9.472 -1.596 1.00 0.93 N ATOM 474 CA TYR A 32 2.141 10.638 -0.754 1.00 1.06 C ATOM 475 C TYR A 32 0.896 10.433 0.124 1.00 1.08 C ATOM 476 O TYR A 32 0.221 11.377 0.530 1.00 1.18 O ATOM 477 CB TYR A 32 1.897 11.763 -1.770 1.00 1.36 C ATOM 478 CG TYR A 32 2.052 13.182 -1.282 1.00 2.35 C ATOM 479 CD1 TYR A 32 3.341 13.741 -1.223 1.00 2.72 C ATOM 480 CD2 TYR A 32 0.922 14.016 -1.206 1.00 4.33 C ATOM 481 CE1 TYR A 32 3.500 15.133 -1.135 1.00 4.16 C ATOM 482 CE2 TYR A 32 1.084 15.408 -1.108 1.00 5.66 C ATOM 483 CZ TYR A 32 2.371 15.967 -1.072 1.00 5.37 C ATOM 484 OH TYR A 32 2.518 17.321 -1.031 1.00 6.89 O ATOM 0 H TYR A 32 1.523 9.049 -1.969 1.00 0.93 H new ATOM 0 HA TYR A 32 2.966 10.843 -0.072 1.00 1.06 H new ATOM 0 HB2 TYR A 32 2.582 11.617 -2.606 1.00 1.36 H new ATOM 0 HB3 TYR A 32 0.886 11.650 -2.162 1.00 1.36 H new ATOM 0 HD1 TYR A 32 4.209 13.099 -1.245 1.00 2.72 H new ATOM 0 HD2 TYR A 32 -0.069 13.587 -1.223 1.00 4.33 H new ATOM 0 HE1 TYR A 32 4.491 15.563 -1.116 1.00 4.16 H new ATOM 0 HE2 TYR A 32 0.216 16.049 -1.060 1.00 5.66 H new ATOM 0 HH TYR A 32 1.635 17.745 -0.991 1.00 6.89 H new ATOM 494 N SER A 33 0.709 9.190 0.559 1.00 1.02 N ATOM 495 CA SER A 33 0.251 8.646 1.822 1.00 1.08 C ATOM 496 C SER A 33 0.606 7.178 1.667 1.00 1.06 C ATOM 497 O SER A 33 0.460 6.656 0.561 1.00 1.24 O ATOM 498 CB SER A 33 -1.263 8.773 2.002 1.00 1.28 C ATOM 499 OG SER A 33 -1.720 8.202 3.217 1.00 2.33 O ATOM 0 H SER A 33 0.912 8.421 -0.080 1.00 1.02 H new ATOM 0 HA SER A 33 0.691 9.155 2.679 1.00 1.08 H new ATOM 0 HB2 SER A 33 -1.541 9.827 1.973 1.00 1.28 H new ATOM 0 HB3 SER A 33 -1.766 8.288 1.166 1.00 1.28 H new ATOM 0 HG SER A 33 -1.607 7.229 3.184 1.00 2.33 H new ATOM 505 N ILE A 34 0.962 6.481 2.737 1.00 1.06 N ATOM 506 CA ILE A 34 0.991 5.037 2.644 1.00 1.09 C ATOM 507 C ILE A 34 -0.432 4.517 2.758 1.00 1.57 C ATOM 508 O ILE A 34 -1.325 5.197 3.269 1.00 2.04 O ATOM 509 CB ILE A 34 1.912 4.459 3.730 1.00 1.16 C ATOM 510 CG1 ILE A 34 1.509 4.808 5.179 1.00 1.48 C ATOM 511 CG2 ILE A 34 3.327 4.983 3.489 1.00 1.33 C ATOM 512 CD1 ILE A 34 0.458 3.862 5.765 1.00 2.05 C ATOM 0 H ILE A 34 1.224 6.874 3.641 1.00 1.06 H new ATOM 0 HA ILE A 34 1.397 4.720 1.683 1.00 1.09 H new ATOM 0 HB ILE A 34 1.837 3.375 3.645 1.00 1.16 H new ATOM 0 HG12 ILE A 34 2.398 4.787 5.810 1.00 1.48 H new ATOM 0 HG13 ILE A 34 1.124 5.827 5.205 1.00 1.48 H new ATOM 0 HG21 ILE A 34 3.997 4.584 4.250 1.00 1.33 H new ATOM 0 HG22 ILE A 34 3.669 4.668 2.503 1.00 1.33 H new ATOM 0 HG23 ILE A 34 3.326 6.072 3.541 1.00 1.33 H new ATOM 0 HD11 ILE A 34 0.223 4.167 6.785 1.00 2.05 H new ATOM 0 HD12 ILE A 34 -0.446 3.901 5.157 1.00 2.05 H new ATOM 0 HD13 ILE A 34 0.848 2.844 5.771 1.00 2.05 H new ATOM 524 N LEU A 35 -0.615 3.317 2.216 1.00 1.68 N ATOM 525 CA LEU A 35 -1.856 2.629 2.063 1.00 2.26 C ATOM 526 C LEU A 35 -2.053 1.657 3.221 1.00 1.69 C ATOM 527 O LEU A 35 -2.000 0.443 3.073 1.00 1.81 O ATOM 528 CB LEU A 35 -1.888 2.010 0.654 1.00 3.18 C ATOM 529 CG LEU A 35 -0.863 0.884 0.407 1.00 4.02 C ATOM 530 CD1 LEU A 35 -1.409 -0.302 -0.402 1.00 4.53 C ATOM 531 CD2 LEU A 35 0.383 1.387 -0.307 1.00 4.70 C ATOM 0 H LEU A 35 0.169 2.776 1.851 1.00 1.68 H new ATOM 0 HA LEU A 35 -2.716 3.296 2.121 1.00 2.26 H new ATOM 0 HB2 LEU A 35 -2.888 1.616 0.470 1.00 3.18 H new ATOM 0 HB3 LEU A 35 -1.718 2.801 -0.077 1.00 3.18 H new ATOM 0 HG LEU A 35 -0.621 0.537 1.412 1.00 4.02 H new ATOM 0 HD11 LEU A 35 -0.624 -1.047 -0.530 1.00 4.53 H new ATOM 0 HD12 LEU A 35 -2.250 -0.748 0.129 1.00 4.53 H new ATOM 0 HD13 LEU A 35 -1.741 0.047 -1.380 1.00 4.53 H new ATOM 0 HD21 LEU A 35 1.075 0.559 -0.459 1.00 4.70 H new ATOM 0 HD22 LEU A 35 0.104 1.808 -1.273 1.00 4.70 H new ATOM 0 HD23 LEU A 35 0.864 2.155 0.298 1.00 4.70 H new ATOM 543 N VAL A 36 -2.331 2.188 4.399 1.00 1.34 N ATOM 544 CA VAL A 36 -2.871 1.386 5.470 1.00 0.96 C ATOM 545 C VAL A 36 -4.012 2.149 6.115 1.00 0.86 C ATOM 546 O VAL A 36 -3.956 3.362 6.294 1.00 1.42 O ATOM 547 CB VAL A 36 -1.783 0.961 6.464 1.00 1.08 C ATOM 548 CG1 VAL A 36 -2.436 0.476 7.755 1.00 1.14 C ATOM 549 CG2 VAL A 36 -0.978 -0.202 5.874 1.00 1.23 C ATOM 0 H VAL A 36 -2.190 3.171 4.633 1.00 1.34 H new ATOM 0 HA VAL A 36 -3.267 0.451 5.074 1.00 0.96 H new ATOM 0 HB VAL A 36 -1.132 1.812 6.663 1.00 1.08 H new ATOM 0 HG11 VAL A 36 -1.664 0.174 8.462 1.00 1.14 H new ATOM 0 HG12 VAL A 36 -3.029 1.282 8.188 1.00 1.14 H new ATOM 0 HG13 VAL A 36 -3.083 -0.374 7.539 1.00 1.14 H new ATOM 0 HG21 VAL A 36 -0.205 -0.504 6.580 1.00 1.23 H new ATOM 0 HG22 VAL A 36 -1.643 -1.044 5.681 1.00 1.23 H new ATOM 0 HG23 VAL A 36 -0.513 0.114 4.940 1.00 1.23 H new ATOM 559 N ALA A 37 -5.039 1.382 6.458 1.00 0.80 N ATOM 560 CA ALA A 37 -6.167 1.788 7.269 1.00 0.80 C ATOM 561 C ALA A 37 -6.754 0.513 7.871 1.00 0.66 C ATOM 562 O ALA A 37 -7.914 0.166 7.639 1.00 0.65 O ATOM 563 CB ALA A 37 -7.162 2.584 6.424 1.00 0.87 C ATOM 0 H ALA A 37 -5.106 0.409 6.159 1.00 0.80 H new ATOM 0 HA ALA A 37 -5.879 2.458 8.079 1.00 0.80 H new ATOM 0 HB1 ALA A 37 -8.007 2.885 7.044 1.00 0.87 H new ATOM 0 HB2 ALA A 37 -6.671 3.471 6.024 1.00 0.87 H new ATOM 0 HB3 ALA A 37 -7.518 1.964 5.601 1.00 0.87 H new ATOM 569 N LEU A 38 -5.915 -0.190 8.641 1.00 0.79 N ATOM 570 CA LEU A 38 -6.226 -1.453 9.304 1.00 0.80 C ATOM 571 C LEU A 38 -7.562 -1.439 10.011 1.00 0.90 C ATOM 572 O LEU A 38 -8.235 -2.463 10.082 1.00 1.18 O ATOM 573 CB LEU A 38 -5.169 -1.784 10.359 1.00 1.01 C ATOM 574 CG LEU A 38 -4.875 -0.663 11.378 1.00 2.17 C ATOM 575 CD1 LEU A 38 -5.296 -1.081 12.791 1.00 2.90 C ATOM 576 CD2 LEU A 38 -3.378 -0.358 11.359 1.00 3.36 C ATOM 0 H LEU A 38 -4.962 0.123 8.824 1.00 0.79 H new ATOM 0 HA LEU A 38 -6.249 -2.198 8.508 1.00 0.80 H new ATOM 0 HB2 LEU A 38 -5.490 -2.672 10.904 1.00 1.01 H new ATOM 0 HB3 LEU A 38 -4.240 -2.041 9.850 1.00 1.01 H new ATOM 0 HG LEU A 38 -5.446 0.224 11.102 1.00 2.17 H new ATOM 0 HD11 LEU A 38 -5.078 -0.273 13.490 1.00 2.90 H new ATOM 0 HD12 LEU A 38 -6.365 -1.293 12.804 1.00 2.90 H new ATOM 0 HD13 LEU A 38 -4.745 -1.974 13.086 1.00 2.90 H new ATOM 0 HD21 LEU A 38 -3.159 0.433 12.076 1.00 3.36 H new ATOM 0 HD22 LEU A 38 -2.820 -1.255 11.627 1.00 3.36 H new ATOM 0 HD23 LEU A 38 -3.085 -0.034 10.360 1.00 3.36 H new ATOM 588 N MET A 39 -7.896 -0.293 10.602 1.00 0.94 N ATOM 589 CA MET A 39 -8.966 -0.238 11.563 1.00 1.17 C ATOM 590 C MET A 39 -10.281 -0.577 10.848 1.00 1.12 C ATOM 591 O MET A 39 -11.104 -1.333 11.355 1.00 1.42 O ATOM 592 CB MET A 39 -8.961 1.150 12.227 1.00 1.47 C ATOM 593 CG MET A 39 -9.573 1.160 13.633 1.00 2.27 C ATOM 594 SD MET A 39 -11.356 0.870 13.752 1.00 3.64 S ATOM 595 CE MET A 39 -11.583 1.096 15.530 1.00 4.73 C ATOM 0 H MET A 39 -7.436 0.600 10.425 1.00 0.94 H new ATOM 0 HA MET A 39 -8.841 -0.969 12.361 1.00 1.17 H new ATOM 0 HB2 MET A 39 -7.935 1.513 12.284 1.00 1.47 H new ATOM 0 HB3 MET A 39 -9.511 1.848 11.595 1.00 1.47 H new ATOM 0 HG2 MET A 39 -9.065 0.402 14.229 1.00 2.27 H new ATOM 0 HG3 MET A 39 -9.355 2.125 14.091 1.00 2.27 H new ATOM 0 HE1 MET A 39 -12.633 0.953 15.784 1.00 4.73 H new ATOM 0 HE2 MET A 39 -10.977 0.368 16.070 1.00 4.73 H new ATOM 0 HE3 MET A 39 -11.276 2.104 15.811 1.00 4.73 H new ATOM 605 N ALA A 40 -10.437 -0.042 9.632 1.00 1.08 N ATOM 606 CA ALA A 40 -11.478 -0.453 8.701 1.00 1.14 C ATOM 607 C ALA A 40 -11.096 -1.784 8.046 1.00 1.07 C ATOM 608 O ALA A 40 -11.944 -2.656 7.877 1.00 1.43 O ATOM 609 CB ALA A 40 -11.673 0.638 7.644 1.00 1.19 C ATOM 0 H ALA A 40 -9.834 0.696 9.269 1.00 1.08 H new ATOM 0 HA ALA A 40 -12.416 -0.594 9.237 1.00 1.14 H new ATOM 0 HB1 ALA A 40 -12.452 0.333 6.945 1.00 1.19 H new ATOM 0 HB2 ALA A 40 -11.966 1.568 8.131 1.00 1.19 H new ATOM 0 HB3 ALA A 40 -10.740 0.791 7.102 1.00 1.19 H new ATOM 615 N GLY A 41 -9.824 -1.918 7.659 1.00 0.82 N ATOM 616 CA GLY A 41 -9.269 -3.112 7.039 1.00 0.82 C ATOM 617 C GLY A 41 -9.137 -2.879 5.542 1.00 1.00 C ATOM 618 O GLY A 41 -9.837 -3.500 4.749 1.00 1.46 O ATOM 0 H GLY A 41 -9.137 -1.173 7.774 1.00 0.82 H new ATOM 0 HA2 GLY A 41 -8.295 -3.342 7.471 1.00 0.82 H new ATOM 0 HA3 GLY A 41 -9.914 -3.970 7.231 1.00 0.82 H new ATOM 622 N LYS A 42 -8.275 -1.934 5.157 1.00 0.76 N ATOM 623 CA LYS A 42 -8.029 -1.570 3.775 1.00 0.87 C ATOM 624 C LYS A 42 -6.685 -0.862 3.735 1.00 0.68 C ATOM 625 O LYS A 42 -6.079 -0.596 4.777 1.00 0.51 O ATOM 626 CB LYS A 42 -9.145 -0.674 3.197 1.00 1.13 C ATOM 627 CG LYS A 42 -9.646 0.387 4.187 1.00 1.82 C ATOM 628 CD LYS A 42 -9.681 1.798 3.571 1.00 2.92 C ATOM 629 CE LYS A 42 -10.273 2.793 4.584 1.00 4.18 C ATOM 630 NZ LYS A 42 -10.098 4.208 4.189 1.00 5.74 N ATOM 0 H LYS A 42 -7.720 -1.393 5.820 1.00 0.76 H new ATOM 0 HA LYS A 42 -8.020 -2.465 3.153 1.00 0.87 H new ATOM 0 HB2 LYS A 42 -8.775 -0.178 2.300 1.00 1.13 H new ATOM 0 HB3 LYS A 42 -9.983 -1.301 2.892 1.00 1.13 H new ATOM 0 HG2 LYS A 42 -10.646 0.118 4.528 1.00 1.82 H new ATOM 0 HG3 LYS A 42 -9.001 0.393 5.065 1.00 1.82 H new ATOM 0 HD2 LYS A 42 -8.674 2.107 3.289 1.00 2.92 H new ATOM 0 HD3 LYS A 42 -10.280 1.793 2.660 1.00 2.92 H new ATOM 0 HE2 LYS A 42 -11.336 2.586 4.706 1.00 4.18 H new ATOM 0 HE3 LYS A 42 -9.804 2.634 5.555 1.00 4.18 H new ATOM 0 HZ1 LYS A 42 -10.503 4.825 4.921 1.00 5.74 H new ATOM 0 HZ2 LYS A 42 -9.085 4.416 4.083 1.00 5.74 H new ATOM 0 HZ3 LYS A 42 -10.583 4.379 3.285 1.00 5.74 H new ATOM 644 N ALA A 43 -6.268 -0.530 2.521 1.00 1.06 N ATOM 645 CA ALA A 43 -5.096 0.235 2.203 1.00 0.97 C ATOM 646 C ALA A 43 -5.500 1.321 1.198 1.00 0.96 C ATOM 647 O ALA A 43 -6.284 1.059 0.289 1.00 1.00 O ATOM 648 CB ALA A 43 -4.097 -0.767 1.631 1.00 1.07 C ATOM 0 H ALA A 43 -6.781 -0.812 1.686 1.00 1.06 H new ATOM 0 HA ALA A 43 -4.647 0.743 3.056 1.00 0.97 H new ATOM 0 HB1 ALA A 43 -3.175 -0.250 1.365 1.00 1.07 H new ATOM 0 HB2 ALA A 43 -3.882 -1.532 2.377 1.00 1.07 H new ATOM 0 HB3 ALA A 43 -4.520 -1.235 0.742 1.00 1.07 H new ATOM 654 N GLU A 44 -5.008 2.554 1.370 1.00 0.97 N ATOM 655 CA GLU A 44 -5.272 3.660 0.456 1.00 1.01 C ATOM 656 C GLU A 44 -4.019 4.398 -0.025 1.00 1.08 C ATOM 657 O GLU A 44 -3.403 5.156 0.721 1.00 1.52 O ATOM 658 CB GLU A 44 -6.289 4.610 1.080 1.00 1.14 C ATOM 659 CG GLU A 44 -6.054 4.962 2.555 1.00 1.26 C ATOM 660 CD GLU A 44 -7.045 6.034 2.966 1.00 1.66 C ATOM 661 OE1 GLU A 44 -8.214 5.659 3.213 1.00 2.19 O ATOM 662 OE2 GLU A 44 -6.654 7.222 2.935 1.00 2.69 O ATOM 0 H GLU A 44 -4.411 2.809 2.156 1.00 0.97 H new ATOM 0 HA GLU A 44 -5.690 3.224 -0.452 1.00 1.01 H new ATOM 0 HB2 GLU A 44 -6.298 5.534 0.502 1.00 1.14 H new ATOM 0 HB3 GLU A 44 -7.280 4.165 0.985 1.00 1.14 H new ATOM 0 HG2 GLU A 44 -6.176 4.076 3.178 1.00 1.26 H new ATOM 0 HG3 GLU A 44 -5.033 5.316 2.701 1.00 1.26 H new ATOM 669 N VAL A 45 -3.664 4.225 -1.301 1.00 1.01 N ATOM 670 CA VAL A 45 -2.534 4.932 -1.877 1.00 1.09 C ATOM 671 C VAL A 45 -3.001 6.308 -2.321 1.00 1.04 C ATOM 672 O VAL A 45 -3.628 6.449 -3.364 1.00 1.27 O ATOM 673 CB VAL A 45 -1.893 4.175 -3.051 1.00 1.26 C ATOM 674 CG1 VAL A 45 -1.036 3.022 -2.574 1.00 1.62 C ATOM 675 CG2 VAL A 45 -2.870 3.575 -4.052 1.00 3.28 C ATOM 0 H VAL A 45 -4.146 3.601 -1.948 1.00 1.01 H new ATOM 0 HA VAL A 45 -1.760 5.017 -1.114 1.00 1.09 H new ATOM 0 HB VAL A 45 -1.314 4.955 -3.546 1.00 1.26 H new ATOM 0 HG11 VAL A 45 -0.601 2.512 -3.434 1.00 1.62 H new ATOM 0 HG12 VAL A 45 -0.239 3.401 -1.935 1.00 1.62 H new ATOM 0 HG13 VAL A 45 -1.651 2.321 -2.009 1.00 1.62 H new ATOM 0 HG21 VAL A 45 -2.316 3.064 -4.839 1.00 3.28 H new ATOM 0 HG22 VAL A 45 -3.520 2.862 -3.544 1.00 3.28 H new ATOM 0 HG23 VAL A 45 -3.475 4.369 -4.491 1.00 3.28 H new ATOM 685 N ARG A 46 -2.664 7.327 -1.538 1.00 1.17 N ATOM 686 CA ARG A 46 -2.648 8.706 -1.995 1.00 1.18 C ATOM 687 C ARG A 46 -1.276 8.858 -2.650 1.00 1.18 C ATOM 688 O ARG A 46 -0.262 8.645 -1.986 1.00 1.19 O ATOM 689 CB ARG A 46 -2.867 9.599 -0.767 1.00 1.28 C ATOM 690 CG ARG A 46 -3.610 10.915 -0.991 1.00 2.01 C ATOM 691 CD ARG A 46 -4.187 11.396 0.356 1.00 2.74 C ATOM 692 NE ARG A 46 -5.510 10.801 0.641 1.00 4.12 N ATOM 693 CZ ARG A 46 -5.826 9.745 1.419 1.00 5.43 C ATOM 694 NH1 ARG A 46 -4.924 9.039 2.109 1.00 5.90 N ATOM 695 NH2 ARG A 46 -7.100 9.361 1.518 1.00 6.87 N ATOM 0 H ARG A 46 -2.393 7.215 -0.561 1.00 1.17 H new ATOM 0 HA ARG A 46 -3.423 8.985 -2.709 1.00 1.18 H new ATOM 0 HB2 ARG A 46 -3.416 9.023 -0.022 1.00 1.28 H new ATOM 0 HB3 ARG A 46 -1.892 9.829 -0.337 1.00 1.28 H new ATOM 0 HG2 ARG A 46 -2.934 11.665 -1.401 1.00 2.01 H new ATOM 0 HG3 ARG A 46 -4.411 10.777 -1.717 1.00 2.01 H new ATOM 0 HD2 ARG A 46 -3.495 11.140 1.158 1.00 2.74 H new ATOM 0 HD3 ARG A 46 -4.274 12.482 0.345 1.00 2.74 H new ATOM 0 HE ARG A 46 -6.300 11.255 0.182 1.00 4.12 H new ATOM 0 HH11 ARG A 46 -3.936 9.290 2.063 1.00 5.90 H new ATOM 0 HH12 ARG A 46 -5.224 8.249 2.681 1.00 5.90 H new ATOM 0 HH21 ARG A 46 -7.826 9.865 1.008 1.00 6.87 H new ATOM 0 HH22 ARG A 46 -7.348 8.564 2.104 1.00 6.87 H new ATOM 709 N TYR A 47 -1.216 9.076 -3.963 1.00 1.15 N ATOM 710 CA TYR A 47 0.025 8.867 -4.698 1.00 1.14 C ATOM 711 C TYR A 47 0.136 9.755 -5.929 1.00 1.05 C ATOM 712 O TYR A 47 -0.817 10.440 -6.302 1.00 1.03 O ATOM 713 CB TYR A 47 0.194 7.372 -5.030 1.00 1.10 C ATOM 714 CG TYR A 47 -0.840 6.662 -5.904 1.00 0.99 C ATOM 715 CD1 TYR A 47 -1.902 7.325 -6.552 1.00 2.26 C ATOM 716 CD2 TYR A 47 -0.699 5.277 -6.085 1.00 1.63 C ATOM 717 CE1 TYR A 47 -2.765 6.622 -7.413 1.00 2.14 C ATOM 718 CE2 TYR A 47 -1.551 4.574 -6.951 1.00 1.75 C ATOM 719 CZ TYR A 47 -2.568 5.251 -7.636 1.00 0.92 C ATOM 720 OH TYR A 47 -3.336 4.575 -8.535 1.00 1.16 O ATOM 0 H TYR A 47 -2.002 9.393 -4.531 1.00 1.15 H new ATOM 0 HA TYR A 47 0.852 9.168 -4.055 1.00 1.14 H new ATOM 0 HB2 TYR A 47 1.163 7.255 -5.515 1.00 1.10 H new ATOM 0 HB3 TYR A 47 0.244 6.833 -4.084 1.00 1.10 H new ATOM 0 HD1 TYR A 47 -2.055 8.381 -6.386 1.00 2.26 H new ATOM 0 HD2 TYR A 47 0.075 4.746 -5.551 1.00 1.63 H new ATOM 0 HE1 TYR A 47 -3.578 7.138 -7.902 1.00 2.14 H new ATOM 0 HE2 TYR A 47 -1.422 3.511 -7.089 1.00 1.75 H new ATOM 0 HH TYR A 47 -3.616 5.184 -9.250 1.00 1.16 H new ATOM 730 N ASN A 48 1.302 9.727 -6.572 1.00 1.06 N ATOM 731 CA ASN A 48 1.533 10.379 -7.843 1.00 1.04 C ATOM 732 C ASN A 48 2.088 9.384 -8.866 1.00 0.97 C ATOM 733 O ASN A 48 3.254 8.995 -8.782 1.00 1.26 O ATOM 734 CB ASN A 48 2.381 11.637 -7.667 1.00 1.53 C ATOM 735 CG ASN A 48 3.894 11.479 -7.575 1.00 1.84 C ATOM 736 OD1 ASN A 48 4.594 11.690 -8.559 1.00 2.52 O ATOM 737 ND2 ASN A 48 4.423 11.182 -6.396 1.00 3.29 N ATOM 0 H ASN A 48 2.122 9.240 -6.211 1.00 1.06 H new ATOM 0 HA ASN A 48 0.583 10.726 -8.251 1.00 1.04 H new ATOM 0 HB2 ASN A 48 2.166 12.303 -8.503 1.00 1.53 H new ATOM 0 HB3 ASN A 48 2.043 12.142 -6.762 1.00 1.53 H new ATOM 0 HD21 ASN A 48 5.436 11.124 -6.291 1.00 3.29 H new ATOM 0 HD22 ASN A 48 3.817 11.011 -5.594 1.00 3.29 H new ATOM 744 N PRO A 49 1.269 8.932 -9.832 1.00 0.83 N ATOM 745 CA PRO A 49 1.687 7.958 -10.827 1.00 1.05 C ATOM 746 C PRO A 49 2.492 8.669 -11.920 1.00 1.37 C ATOM 747 O PRO A 49 2.073 8.722 -13.073 1.00 1.72 O ATOM 748 CB PRO A 49 0.376 7.356 -11.339 1.00 1.01 C ATOM 749 CG PRO A 49 -0.593 8.533 -11.273 1.00 0.92 C ATOM 750 CD PRO A 49 -0.139 9.262 -10.007 1.00 0.82 C ATOM 0 HA PRO A 49 2.341 7.175 -10.443 1.00 1.05 H new ATOM 0 HB2 PRO A 49 0.477 6.974 -12.355 1.00 1.01 H new ATOM 0 HB3 PRO A 49 0.044 6.525 -10.717 1.00 1.01 H new ATOM 0 HG2 PRO A 49 -0.521 9.168 -12.156 1.00 0.92 H new ATOM 0 HG3 PRO A 49 -1.629 8.203 -11.202 1.00 0.92 H new ATOM 0 HD2 PRO A 49 -0.277 10.339 -10.107 1.00 0.82 H new ATOM 0 HD3 PRO A 49 -0.724 8.944 -9.144 1.00 0.82 H new ATOM 758 N ALA A 50 3.640 9.233 -11.538 1.00 1.59 N ATOM 759 CA ALA A 50 4.535 9.956 -12.433 1.00 2.02 C ATOM 760 C ALA A 50 5.954 9.436 -12.242 1.00 2.05 C ATOM 761 O ALA A 50 6.626 9.095 -13.210 1.00 2.40 O ATOM 762 CB ALA A 50 4.442 11.459 -12.162 1.00 2.28 C ATOM 0 H ALA A 50 3.977 9.197 -10.576 1.00 1.59 H new ATOM 0 HA ALA A 50 4.244 9.792 -13.471 1.00 2.02 H new ATOM 0 HB1 ALA A 50 5.114 11.992 -12.835 1.00 2.28 H new ATOM 0 HB2 ALA A 50 3.419 11.796 -12.328 1.00 2.28 H new ATOM 0 HB3 ALA A 50 4.727 11.661 -11.129 1.00 2.28 H new ATOM 768 N VAL A 51 6.404 9.357 -10.985 1.00 1.77 N ATOM 769 CA VAL A 51 7.683 8.782 -10.644 1.00 1.72 C ATOM 770 C VAL A 51 7.694 7.302 -11.014 1.00 1.70 C ATOM 771 O VAL A 51 8.573 6.839 -11.736 1.00 2.04 O ATOM 772 CB VAL A 51 7.894 8.938 -9.132 1.00 1.46 C ATOM 773 CG1 VAL A 51 9.289 8.423 -8.799 1.00 1.52 C ATOM 774 CG2 VAL A 51 7.832 10.404 -8.683 1.00 1.87 C ATOM 0 H VAL A 51 5.878 9.696 -10.180 1.00 1.77 H new ATOM 0 HA VAL A 51 8.480 9.287 -11.189 1.00 1.72 H new ATOM 0 HB VAL A 51 7.104 8.385 -8.624 1.00 1.46 H new ATOM 0 HG11 VAL A 51 9.467 8.522 -7.728 1.00 1.52 H new ATOM 0 HG12 VAL A 51 9.367 7.374 -9.085 1.00 1.52 H new ATOM 0 HG13 VAL A 51 10.032 9.004 -9.346 1.00 1.52 H new ATOM 0 HG21 VAL A 51 7.987 10.461 -7.606 1.00 1.87 H new ATOM 0 HG22 VAL A 51 8.609 10.974 -9.192 1.00 1.87 H new ATOM 0 HG23 VAL A 51 6.856 10.820 -8.932 1.00 1.87 H new ATOM 784 N ILE A 52 6.742 6.563 -10.436 1.00 1.48 N ATOM 785 CA ILE A 52 6.723 5.118 -10.439 1.00 1.60 C ATOM 786 C ILE A 52 5.508 4.652 -11.237 1.00 1.65 C ATOM 787 O ILE A 52 5.428 4.903 -12.436 1.00 2.87 O ATOM 788 CB ILE A 52 6.862 4.616 -8.983 1.00 1.90 C ATOM 789 CG1 ILE A 52 7.096 3.102 -8.879 1.00 2.31 C ATOM 790 CG2 ILE A 52 5.786 5.095 -7.994 1.00 2.05 C ATOM 791 CD1 ILE A 52 7.454 2.736 -7.439 1.00 2.12 C ATOM 0 H ILE A 52 5.949 6.974 -9.944 1.00 1.48 H new ATOM 0 HA ILE A 52 7.571 4.665 -10.954 1.00 1.60 H new ATOM 0 HB ILE A 52 7.773 5.116 -8.653 1.00 1.90 H new ATOM 0 HG12 ILE A 52 6.201 2.563 -9.190 1.00 2.31 H new ATOM 0 HG13 ILE A 52 7.899 2.801 -9.552 1.00 2.31 H new ATOM 0 HG21 ILE A 52 5.988 4.679 -7.007 1.00 2.05 H new ATOM 0 HG22 ILE A 52 5.801 6.184 -7.939 1.00 2.05 H new ATOM 0 HG23 ILE A 52 4.805 4.762 -8.334 1.00 2.05 H new ATOM 0 HD11 ILE A 52 7.620 1.661 -7.367 1.00 2.12 H new ATOM 0 HD12 ILE A 52 8.361 3.263 -7.144 1.00 2.12 H new ATOM 0 HD13 ILE A 52 6.637 3.022 -6.777 1.00 2.12 H new ATOM 803 N GLN A 53 4.580 3.942 -10.604 1.00 1.26 N ATOM 804 CA GLN A 53 3.687 3.033 -11.305 1.00 1.34 C ATOM 805 C GLN A 53 2.737 2.369 -10.290 1.00 1.33 C ATOM 806 O GLN A 53 3.185 1.574 -9.469 1.00 1.28 O ATOM 807 CB GLN A 53 4.534 1.979 -12.056 1.00 1.75 C ATOM 808 CG GLN A 53 3.929 1.476 -13.364 1.00 1.74 C ATOM 809 CD GLN A 53 3.878 2.546 -14.443 1.00 1.65 C ATOM 810 OE1 GLN A 53 4.837 2.752 -15.175 1.00 2.43 O ATOM 811 NE2 GLN A 53 2.735 3.212 -14.569 1.00 2.08 N ATOM 0 H GLN A 53 4.428 3.981 -9.596 1.00 1.26 H new ATOM 0 HA GLN A 53 3.082 3.574 -12.032 1.00 1.34 H new ATOM 0 HB2 GLN A 53 5.514 2.407 -12.268 1.00 1.75 H new ATOM 0 HB3 GLN A 53 4.694 1.126 -11.396 1.00 1.75 H new ATOM 0 HG2 GLN A 53 4.512 0.630 -13.726 1.00 1.74 H new ATOM 0 HG3 GLN A 53 2.920 1.110 -13.175 1.00 1.74 H new ATOM 0 HE21 GLN A 53 1.957 3.013 -13.940 1.00 2.08 H new ATOM 0 HE22 GLN A 53 2.636 3.922 -15.294 1.00 2.08 H new ATOM 820 N PRO A 54 1.432 2.670 -10.315 1.00 1.45 N ATOM 821 CA PRO A 54 0.425 2.051 -9.456 1.00 1.53 C ATOM 822 C PRO A 54 0.473 0.523 -9.340 1.00 1.41 C ATOM 823 O PRO A 54 0.463 0.029 -8.208 1.00 1.47 O ATOM 824 CB PRO A 54 -0.918 2.597 -9.936 1.00 1.70 C ATOM 825 CG PRO A 54 -0.485 4.010 -10.311 1.00 1.82 C ATOM 826 CD PRO A 54 0.829 3.769 -11.043 1.00 1.63 C ATOM 0 HA PRO A 54 0.624 2.321 -8.419 1.00 1.53 H new ATOM 0 HB2 PRO A 54 -1.319 2.041 -10.784 1.00 1.70 H new ATOM 0 HB3 PRO A 54 -1.680 2.584 -9.157 1.00 1.70 H new ATOM 0 HG2 PRO A 54 -1.219 4.504 -10.947 1.00 1.82 H new ATOM 0 HG3 PRO A 54 -0.350 4.640 -9.432 1.00 1.82 H new ATOM 0 HD2 PRO A 54 0.663 3.513 -12.089 1.00 1.63 H new ATOM 0 HD3 PRO A 54 1.464 4.655 -11.028 1.00 1.63 H new ATOM 834 N PRO A 55 0.536 -0.247 -10.447 1.00 1.29 N ATOM 835 CA PRO A 55 0.786 -1.666 -10.359 1.00 1.21 C ATOM 836 C PRO A 55 2.019 -1.922 -9.504 1.00 1.14 C ATOM 837 O PRO A 55 1.897 -2.629 -8.513 1.00 1.21 O ATOM 838 CB PRO A 55 0.948 -2.186 -11.784 1.00 1.17 C ATOM 839 CG PRO A 55 0.908 -0.990 -12.706 1.00 1.10 C ATOM 840 CD PRO A 55 0.404 0.148 -11.838 1.00 1.26 C ATOM 0 HA PRO A 55 -0.039 -2.192 -9.878 1.00 1.21 H new ATOM 0 HB2 PRO A 55 1.890 -2.723 -11.892 1.00 1.17 H new ATOM 0 HB3 PRO A 55 0.151 -2.888 -12.030 1.00 1.17 H new ATOM 0 HG2 PRO A 55 1.895 -0.771 -13.113 1.00 1.10 H new ATOM 0 HG3 PRO A 55 0.245 -1.165 -13.554 1.00 1.10 H new ATOM 0 HD2 PRO A 55 0.977 1.055 -12.031 1.00 1.26 H new ATOM 0 HD3 PRO A 55 -0.637 0.372 -12.072 1.00 1.26 H new ATOM 848 N MET A 56 3.161 -1.301 -9.832 1.00 1.09 N ATOM 849 CA MET A 56 4.383 -1.523 -9.052 1.00 1.13 C ATOM 850 C MET A 56 4.146 -1.291 -7.556 1.00 1.12 C ATOM 851 O MET A 56 4.496 -2.150 -6.745 1.00 1.09 O ATOM 852 CB MET A 56 5.581 -0.715 -9.558 1.00 1.27 C ATOM 853 CG MET A 56 6.001 -1.185 -10.954 1.00 1.36 C ATOM 854 SD MET A 56 7.339 -0.214 -11.693 1.00 1.53 S ATOM 855 CE MET A 56 7.545 -1.102 -13.251 1.00 1.68 C ATOM 0 H MET A 56 3.263 -0.655 -10.615 1.00 1.09 H new ATOM 0 HA MET A 56 4.642 -2.572 -9.196 1.00 1.13 H new ATOM 0 HB2 MET A 56 5.325 0.344 -9.587 1.00 1.27 H new ATOM 0 HB3 MET A 56 6.416 -0.822 -8.866 1.00 1.27 H new ATOM 0 HG2 MET A 56 6.313 -2.228 -10.895 1.00 1.36 H new ATOM 0 HG3 MET A 56 5.134 -1.149 -11.613 1.00 1.36 H new ATOM 0 HE1 MET A 56 8.337 -0.633 -13.835 1.00 1.68 H new ATOM 0 HE2 MET A 56 7.811 -2.139 -13.046 1.00 1.68 H new ATOM 0 HE3 MET A 56 6.612 -1.071 -13.814 1.00 1.68 H new ATOM 865 N ILE A 57 3.518 -0.165 -7.188 1.00 1.18 N ATOM 866 CA ILE A 57 3.172 0.098 -5.791 1.00 1.17 C ATOM 867 C ILE A 57 2.401 -1.099 -5.185 1.00 1.14 C ATOM 868 O ILE A 57 2.801 -1.641 -4.155 1.00 1.21 O ATOM 869 CB ILE A 57 2.427 1.448 -5.662 1.00 1.15 C ATOM 870 CG1 ILE A 57 3.277 2.628 -6.182 1.00 2.76 C ATOM 871 CG2 ILE A 57 2.071 1.735 -4.198 1.00 2.60 C ATOM 872 CD1 ILE A 57 2.471 3.931 -6.295 1.00 2.70 C ATOM 0 H ILE A 57 3.242 0.572 -7.837 1.00 1.18 H new ATOM 0 HA ILE A 57 4.084 0.197 -5.202 1.00 1.17 H new ATOM 0 HB ILE A 57 1.524 1.359 -6.266 1.00 1.15 H new ATOM 0 HG12 ILE A 57 4.123 2.785 -5.512 1.00 2.76 H new ATOM 0 HG13 ILE A 57 3.687 2.373 -7.159 1.00 2.76 H new ATOM 0 HG21 ILE A 57 1.548 2.689 -4.131 1.00 2.60 H new ATOM 0 HG22 ILE A 57 1.428 0.941 -3.818 1.00 2.60 H new ATOM 0 HG23 ILE A 57 2.984 1.779 -3.604 1.00 2.60 H new ATOM 0 HD11 ILE A 57 3.117 4.727 -6.665 1.00 2.70 H new ATOM 0 HD12 ILE A 57 1.641 3.786 -6.986 1.00 2.70 H new ATOM 0 HD13 ILE A 57 2.083 4.205 -5.314 1.00 2.70 H new ATOM 884 N ALA A 58 1.302 -1.542 -5.810 1.00 1.11 N ATOM 885 CA ALA A 58 0.547 -2.708 -5.361 1.00 1.14 C ATOM 886 C ALA A 58 1.348 -4.021 -5.408 1.00 0.94 C ATOM 887 O ALA A 58 1.081 -4.946 -4.641 1.00 0.87 O ATOM 888 CB ALA A 58 -0.722 -2.826 -6.209 1.00 1.32 C ATOM 0 H ALA A 58 0.915 -1.098 -6.642 1.00 1.11 H new ATOM 0 HA ALA A 58 0.301 -2.553 -4.310 1.00 1.14 H new ATOM 0 HB1 ALA A 58 -1.297 -3.693 -5.885 1.00 1.32 H new ATOM 0 HB2 ALA A 58 -1.325 -1.926 -6.089 1.00 1.32 H new ATOM 0 HB3 ALA A 58 -0.449 -2.943 -7.258 1.00 1.32 H new ATOM 894 N GLU A 59 2.258 -4.183 -6.367 1.00 1.01 N ATOM 895 CA GLU A 59 3.043 -5.372 -6.578 1.00 0.91 C ATOM 896 C GLU A 59 4.072 -5.541 -5.468 1.00 0.88 C ATOM 897 O GLU A 59 4.073 -6.590 -4.835 1.00 0.89 O ATOM 898 CB GLU A 59 3.686 -5.271 -7.952 1.00 0.98 C ATOM 899 CG GLU A 59 2.718 -5.662 -9.083 1.00 1.16 C ATOM 900 CD GLU A 59 3.344 -5.506 -10.464 1.00 2.27 C ATOM 901 OE1 GLU A 59 3.582 -4.342 -10.851 1.00 3.83 O ATOM 902 OE2 GLU A 59 3.517 -6.550 -11.125 1.00 2.80 O ATOM 0 H GLU A 59 2.469 -3.448 -7.043 1.00 1.01 H new ATOM 0 HA GLU A 59 2.413 -6.261 -6.546 1.00 0.91 H new ATOM 0 HB2 GLU A 59 4.035 -4.251 -8.113 1.00 0.98 H new ATOM 0 HB3 GLU A 59 4.563 -5.917 -7.988 1.00 0.98 H new ATOM 0 HG2 GLU A 59 2.401 -6.696 -8.945 1.00 1.16 H new ATOM 0 HG3 GLU A 59 1.823 -5.044 -9.021 1.00 1.16 H new ATOM 909 N PHE A 60 4.893 -4.524 -5.188 1.00 1.02 N ATOM 910 CA PHE A 60 5.922 -4.600 -4.160 1.00 1.20 C ATOM 911 C PHE A 60 5.386 -5.207 -2.861 1.00 1.22 C ATOM 912 O PHE A 60 5.978 -6.098 -2.253 1.00 1.40 O ATOM 913 CB PHE A 60 6.535 -3.206 -3.944 1.00 1.46 C ATOM 914 CG PHE A 60 8.022 -3.268 -3.704 1.00 2.45 C ATOM 915 CD1 PHE A 60 8.838 -3.847 -4.692 1.00 3.07 C ATOM 916 CD2 PHE A 60 8.587 -2.812 -2.501 1.00 3.71 C ATOM 917 CE1 PHE A 60 10.199 -4.051 -4.444 1.00 4.11 C ATOM 918 CE2 PHE A 60 9.964 -2.980 -2.271 1.00 4.75 C ATOM 919 CZ PHE A 60 10.770 -3.615 -3.235 1.00 4.72 C ATOM 0 H PHE A 60 4.858 -3.626 -5.671 1.00 1.02 H new ATOM 0 HA PHE A 60 6.710 -5.273 -4.499 1.00 1.20 H new ATOM 0 HB2 PHE A 60 6.335 -2.584 -4.817 1.00 1.46 H new ATOM 0 HB3 PHE A 60 6.051 -2.726 -3.093 1.00 1.46 H new ATOM 0 HD1 PHE A 60 8.413 -4.134 -5.643 1.00 3.07 H new ATOM 0 HD2 PHE A 60 7.967 -2.335 -1.757 1.00 3.71 H new ATOM 0 HE1 PHE A 60 10.813 -4.545 -5.183 1.00 4.11 H new ATOM 0 HE2 PHE A 60 10.404 -2.621 -1.353 1.00 4.75 H new ATOM 0 HZ PHE A 60 11.823 -3.767 -3.047 1.00 4.72 H new ATOM 929 N ILE A 61 4.194 -4.765 -2.475 1.00 1.10 N ATOM 930 CA ILE A 61 3.479 -5.261 -1.309 1.00 1.02 C ATOM 931 C ILE A 61 3.287 -6.786 -1.371 1.00 0.95 C ATOM 932 O ILE A 61 3.494 -7.482 -0.376 1.00 1.10 O ATOM 933 CB ILE A 61 2.158 -4.483 -1.228 1.00 0.89 C ATOM 934 CG1 ILE A 61 2.493 -3.017 -0.927 1.00 1.23 C ATOM 935 CG2 ILE A 61 1.216 -5.032 -0.159 1.00 0.81 C ATOM 936 CD1 ILE A 61 1.276 -2.119 -1.090 1.00 1.35 C ATOM 0 H ILE A 61 3.688 -4.035 -2.977 1.00 1.10 H new ATOM 0 HA ILE A 61 4.051 -5.095 -0.396 1.00 1.02 H new ATOM 0 HB ILE A 61 1.637 -4.584 -2.180 1.00 0.89 H new ATOM 0 HG12 ILE A 61 2.875 -2.932 0.090 1.00 1.23 H new ATOM 0 HG13 ILE A 61 3.286 -2.680 -1.594 1.00 1.23 H new ATOM 0 HG21 ILE A 61 0.298 -4.444 -0.146 1.00 0.81 H new ATOM 0 HG22 ILE A 61 0.978 -6.072 -0.383 1.00 0.81 H new ATOM 0 HG23 ILE A 61 1.699 -4.973 0.817 1.00 0.81 H new ATOM 0 HD11 ILE A 61 1.552 -1.088 -0.868 1.00 1.35 H new ATOM 0 HD12 ILE A 61 0.910 -2.184 -2.115 1.00 1.35 H new ATOM 0 HD13 ILE A 61 0.492 -2.440 -0.404 1.00 1.35 H new ATOM 948 N ARG A 62 2.894 -7.304 -2.535 1.00 0.81 N ATOM 949 CA ARG A 62 2.734 -8.728 -2.792 1.00 0.80 C ATOM 950 C ARG A 62 4.084 -9.439 -2.853 1.00 0.91 C ATOM 951 O ARG A 62 4.212 -10.527 -2.298 1.00 1.07 O ATOM 952 CB ARG A 62 1.928 -8.940 -4.079 1.00 0.79 C ATOM 953 CG ARG A 62 0.467 -8.571 -3.821 1.00 0.92 C ATOM 954 CD ARG A 62 -0.334 -8.438 -5.114 1.00 1.21 C ATOM 955 NE ARG A 62 -0.084 -7.139 -5.765 1.00 2.32 N ATOM 956 CZ ARG A 62 -0.776 -6.659 -6.808 1.00 3.12 C ATOM 957 NH1 ARG A 62 -2.041 -7.043 -7.000 1.00 3.70 N ATOM 958 NH2 ARG A 62 -0.206 -5.794 -7.652 1.00 4.35 N ATOM 0 H ARG A 62 2.673 -6.725 -3.345 1.00 0.81 H new ATOM 0 HA ARG A 62 2.181 -9.170 -1.963 1.00 0.80 H new ATOM 0 HB2 ARG A 62 2.335 -8.326 -4.883 1.00 0.79 H new ATOM 0 HB3 ARG A 62 2.002 -9.978 -4.402 1.00 0.79 H new ATOM 0 HG2 ARG A 62 0.009 -9.332 -3.189 1.00 0.92 H new ATOM 0 HG3 ARG A 62 0.424 -7.631 -3.271 1.00 0.92 H new ATOM 0 HD2 ARG A 62 -0.067 -9.246 -5.795 1.00 1.21 H new ATOM 0 HD3 ARG A 62 -1.397 -8.541 -4.898 1.00 1.21 H new ATOM 0 HE ARG A 62 0.672 -6.563 -5.394 1.00 2.32 H new ATOM 0 HH11 ARG A 62 -2.478 -7.700 -6.354 1.00 3.70 H new ATOM 0 HH12 ARG A 62 -2.570 -6.679 -7.793 1.00 3.70 H new ATOM 0 HH21 ARG A 62 0.758 -5.497 -7.504 1.00 4.35 H new ATOM 0 HH22 ARG A 62 -0.735 -5.431 -8.445 1.00 4.35 H new ATOM 972 N GLU A 63 5.089 -8.840 -3.502 1.00 0.94 N ATOM 973 CA GLU A 63 6.437 -9.364 -3.549 1.00 1.06 C ATOM 974 C GLU A 63 6.964 -9.605 -2.131 1.00 1.06 C ATOM 975 O GLU A 63 7.602 -10.623 -1.875 1.00 1.24 O ATOM 976 CB GLU A 63 7.317 -8.379 -4.321 1.00 1.19 C ATOM 977 CG GLU A 63 6.943 -8.255 -5.797 1.00 1.36 C ATOM 978 CD GLU A 63 7.716 -7.126 -6.468 1.00 1.89 C ATOM 979 OE1 GLU A 63 8.962 -7.213 -6.462 1.00 2.90 O ATOM 980 OE2 GLU A 63 7.046 -6.188 -6.948 1.00 2.28 O ATOM 0 H GLU A 63 4.975 -7.965 -4.014 1.00 0.94 H new ATOM 0 HA GLU A 63 6.451 -10.325 -4.063 1.00 1.06 H new ATOM 0 HB2 GLU A 63 7.247 -7.397 -3.853 1.00 1.19 H new ATOM 0 HB3 GLU A 63 8.357 -8.695 -4.243 1.00 1.19 H new ATOM 0 HG2 GLU A 63 7.151 -9.195 -6.308 1.00 1.36 H new ATOM 0 HG3 GLU A 63 5.873 -8.072 -5.890 1.00 1.36 H new ATOM 987 N LEU A 64 6.646 -8.703 -1.194 1.00 1.01 N ATOM 988 CA LEU A 64 6.996 -8.899 0.206 1.00 1.23 C ATOM 989 C LEU A 64 6.012 -9.860 0.883 1.00 1.46 C ATOM 990 O LEU A 64 6.445 -10.683 1.687 1.00 1.85 O ATOM 991 CB LEU A 64 7.054 -7.553 0.937 1.00 1.51 C ATOM 992 CG LEU A 64 8.080 -6.575 0.336 1.00 1.56 C ATOM 993 CD1 LEU A 64 8.057 -5.278 1.147 1.00 1.85 C ATOM 994 CD2 LEU A 64 9.506 -7.134 0.305 1.00 2.61 C ATOM 0 H LEU A 64 6.148 -7.834 -1.386 1.00 1.01 H new ATOM 0 HA LEU A 64 7.986 -9.352 0.256 1.00 1.23 H new ATOM 0 HB2 LEU A 64 6.067 -7.092 0.913 1.00 1.51 H new ATOM 0 HB3 LEU A 64 7.299 -7.727 1.985 1.00 1.51 H new ATOM 0 HG LEU A 64 7.793 -6.400 -0.701 1.00 1.56 H new ATOM 0 HD11 LEU A 64 8.780 -4.576 0.731 1.00 1.85 H new ATOM 0 HD12 LEU A 64 7.060 -4.840 1.104 1.00 1.85 H new ATOM 0 HD13 LEU A 64 8.315 -5.493 2.184 1.00 1.85 H new ATOM 0 HD21 LEU A 64 10.178 -6.394 -0.130 1.00 2.61 H new ATOM 0 HD22 LEU A 64 9.829 -7.364 1.320 1.00 2.61 H new ATOM 0 HD23 LEU A 64 9.528 -8.042 -0.297 1.00 2.61 H new ATOM 1006 N GLY A 65 4.715 -9.809 0.556 1.00 1.48 N ATOM 1007 CA GLY A 65 3.811 -10.891 0.934 1.00 2.18 C ATOM 1008 C GLY A 65 2.319 -10.579 0.814 1.00 1.55 C ATOM 1009 O GLY A 65 1.519 -11.480 0.567 1.00 2.30 O ATOM 0 H GLY A 65 4.279 -9.044 0.041 1.00 1.48 H new ATOM 0 HA2 GLY A 65 4.033 -11.759 0.314 1.00 2.18 H new ATOM 0 HA3 GLY A 65 4.023 -11.174 1.965 1.00 2.18 H new ATOM 1013 N PHE A 66 1.906 -9.336 1.068 1.00 1.02 N ATOM 1014 CA PHE A 66 0.514 -9.049 1.399 1.00 1.41 C ATOM 1015 C PHE A 66 -0.364 -9.049 0.154 1.00 1.43 C ATOM 1016 O PHE A 66 -0.074 -8.374 -0.830 1.00 2.13 O ATOM 1017 CB PHE A 66 0.384 -7.737 2.180 1.00 1.95 C ATOM 1018 CG PHE A 66 1.386 -7.564 3.302 1.00 1.81 C ATOM 1019 CD1 PHE A 66 2.656 -7.009 3.043 1.00 2.71 C ATOM 1020 CD2 PHE A 66 1.059 -7.983 4.603 1.00 2.39 C ATOM 1021 CE1 PHE A 66 3.606 -6.916 4.072 1.00 2.95 C ATOM 1022 CE2 PHE A 66 1.991 -7.836 5.642 1.00 2.51 C ATOM 1023 CZ PHE A 66 3.269 -7.313 5.376 1.00 2.30 C ATOM 0 H PHE A 66 2.514 -8.517 1.050 1.00 1.02 H new ATOM 0 HA PHE A 66 0.159 -9.850 2.048 1.00 1.41 H new ATOM 0 HB2 PHE A 66 0.491 -6.904 1.485 1.00 1.95 H new ATOM 0 HB3 PHE A 66 -0.621 -7.677 2.597 1.00 1.95 H new ATOM 0 HD1 PHE A 66 2.898 -6.655 2.052 1.00 2.71 H new ATOM 0 HD2 PHE A 66 0.091 -8.418 4.803 1.00 2.39 H new ATOM 0 HE1 PHE A 66 4.596 -6.539 3.861 1.00 2.95 H new ATOM 0 HE2 PHE A 66 1.726 -8.125 6.648 1.00 2.51 H new ATOM 0 HZ PHE A 66 3.991 -7.217 6.174 1.00 2.30 H new ATOM 1033 N GLY A 67 -1.461 -9.803 0.210 1.00 1.24 N ATOM 1034 CA GLY A 67 -2.370 -10.007 -0.901 1.00 1.17 C ATOM 1035 C GLY A 67 -3.175 -8.762 -1.248 1.00 1.08 C ATOM 1036 O GLY A 67 -4.345 -8.630 -0.898 1.00 1.69 O ATOM 0 H GLY A 67 -1.744 -10.299 1.055 1.00 1.24 H new ATOM 0 HA2 GLY A 67 -1.801 -10.320 -1.776 1.00 1.17 H new ATOM 0 HA3 GLY A 67 -3.055 -10.820 -0.658 1.00 1.17 H new ATOM 1040 N ALA A 68 -2.511 -7.864 -1.960 1.00 0.77 N ATOM 1041 CA ALA A 68 -3.029 -6.573 -2.390 1.00 0.68 C ATOM 1042 C ALA A 68 -3.848 -6.710 -3.678 1.00 0.63 C ATOM 1043 O ALA A 68 -3.351 -7.232 -4.678 1.00 0.86 O ATOM 1044 CB ALA A 68 -1.859 -5.609 -2.600 1.00 0.80 C ATOM 0 H ALA A 68 -1.552 -8.023 -2.268 1.00 0.77 H new ATOM 0 HA ALA A 68 -3.692 -6.181 -1.618 1.00 0.68 H new ATOM 0 HB1 ALA A 68 -2.240 -4.640 -2.922 1.00 0.80 H new ATOM 0 HB2 ALA A 68 -1.312 -5.491 -1.665 1.00 0.80 H new ATOM 0 HB3 ALA A 68 -1.191 -6.008 -3.363 1.00 0.80 H new ATOM 1050 N THR A 69 -5.086 -6.217 -3.687 1.00 0.59 N ATOM 1051 CA THR A 69 -5.941 -6.160 -4.860 1.00 0.67 C ATOM 1052 C THR A 69 -6.512 -4.742 -4.929 1.00 0.70 C ATOM 1053 O THR A 69 -6.909 -4.202 -3.901 1.00 0.72 O ATOM 1054 CB THR A 69 -7.013 -7.259 -4.751 1.00 0.84 C ATOM 1055 OG1 THR A 69 -8.042 -7.010 -5.677 1.00 2.31 O ATOM 1056 CG2 THR A 69 -7.636 -7.391 -3.358 1.00 1.84 C ATOM 0 H THR A 69 -5.530 -5.836 -2.851 1.00 0.59 H new ATOM 0 HA THR A 69 -5.405 -6.353 -5.789 1.00 0.67 H new ATOM 0 HB THR A 69 -6.498 -8.197 -4.961 1.00 0.84 H new ATOM 0 HG1 THR A 69 -8.722 -7.712 -5.607 1.00 2.31 H new ATOM 0 HG21 THR A 69 -8.381 -8.187 -3.366 1.00 1.84 H new ATOM 0 HG22 THR A 69 -6.858 -7.630 -2.633 1.00 1.84 H new ATOM 0 HG23 THR A 69 -8.113 -6.451 -3.082 1.00 1.84 H new ATOM 1064 N VAL A 70 -6.539 -4.117 -6.109 1.00 0.77 N ATOM 1065 CA VAL A 70 -6.897 -2.717 -6.246 1.00 0.80 C ATOM 1066 C VAL A 70 -8.419 -2.545 -6.263 1.00 0.83 C ATOM 1067 O VAL A 70 -9.145 -3.465 -6.636 1.00 1.04 O ATOM 1068 CB VAL A 70 -6.238 -2.139 -7.509 1.00 0.94 C ATOM 1069 CG1 VAL A 70 -4.711 -2.291 -7.461 1.00 1.80 C ATOM 1070 CG2 VAL A 70 -6.787 -2.730 -8.814 1.00 3.21 C ATOM 0 H VAL A 70 -6.312 -4.574 -6.992 1.00 0.77 H new ATOM 0 HA VAL A 70 -6.526 -2.161 -5.385 1.00 0.80 H new ATOM 0 HB VAL A 70 -6.494 -1.080 -7.512 1.00 0.94 H new ATOM 0 HG11 VAL A 70 -4.275 -1.873 -8.368 1.00 1.80 H new ATOM 0 HG12 VAL A 70 -4.320 -1.761 -6.593 1.00 1.80 H new ATOM 0 HG13 VAL A 70 -4.453 -3.347 -7.388 1.00 1.80 H new ATOM 0 HG21 VAL A 70 -6.276 -2.275 -9.663 1.00 3.21 H new ATOM 0 HG22 VAL A 70 -6.620 -3.807 -8.824 1.00 3.21 H new ATOM 0 HG23 VAL A 70 -7.856 -2.528 -8.884 1.00 3.21 H new ATOM 1080 N ILE A 71 -8.891 -1.369 -5.842 1.00 0.88 N ATOM 1081 CA ILE A 71 -10.276 -0.936 -5.900 1.00 1.03 C ATOM 1082 C ILE A 71 -10.260 0.511 -6.399 1.00 1.33 C ATOM 1083 O ILE A 71 -9.663 1.382 -5.763 1.00 1.88 O ATOM 1084 CB ILE A 71 -10.940 -1.049 -4.514 1.00 1.33 C ATOM 1085 CG1 ILE A 71 -10.814 -2.487 -3.977 1.00 1.49 C ATOM 1086 CG2 ILE A 71 -12.414 -0.621 -4.612 1.00 2.17 C ATOM 1087 CD1 ILE A 71 -11.471 -2.676 -2.609 1.00 2.17 C ATOM 0 H ILE A 71 -8.281 -0.662 -5.432 1.00 0.88 H new ATOM 0 HA ILE A 71 -10.860 -1.565 -6.572 1.00 1.03 H new ATOM 0 HB ILE A 71 -10.432 -0.386 -3.814 1.00 1.33 H new ATOM 0 HG12 ILE A 71 -11.268 -3.176 -4.690 1.00 1.49 H new ATOM 0 HG13 ILE A 71 -9.759 -2.751 -3.906 1.00 1.49 H new ATOM 0 HG21 ILE A 71 -12.882 -0.701 -3.631 1.00 2.17 H new ATOM 0 HG22 ILE A 71 -12.471 0.411 -4.958 1.00 2.17 H new ATOM 0 HG23 ILE A 71 -12.935 -1.269 -5.317 1.00 2.17 H new ATOM 0 HD11 ILE A 71 -11.348 -3.710 -2.286 1.00 2.17 H new ATOM 0 HD12 ILE A 71 -11.001 -2.011 -1.885 1.00 2.17 H new ATOM 0 HD13 ILE A 71 -12.533 -2.442 -2.680 1.00 2.17 H new ATOM 1099 N GLU A 72 -10.912 0.762 -7.533 1.00 1.66 N ATOM 1100 CA GLU A 72 -10.951 2.061 -8.193 1.00 1.99 C ATOM 1101 C GLU A 72 -12.280 2.169 -8.942 1.00 2.52 C ATOM 1102 O GLU A 72 -12.351 2.579 -10.098 1.00 3.63 O ATOM 1103 CB GLU A 72 -9.707 2.223 -9.084 1.00 2.25 C ATOM 1104 CG GLU A 72 -9.371 0.995 -9.948 1.00 3.62 C ATOM 1105 CD GLU A 72 -8.030 1.161 -10.656 1.00 4.63 C ATOM 1106 OE1 GLU A 72 -7.769 2.288 -11.130 1.00 4.77 O ATOM 1107 OE2 GLU A 72 -7.285 0.158 -10.699 1.00 5.84 O ATOM 0 H GLU A 72 -11.442 0.046 -8.030 1.00 1.66 H new ATOM 0 HA GLU A 72 -10.912 2.886 -7.482 1.00 1.99 H new ATOM 0 HB2 GLU A 72 -9.855 3.082 -9.739 1.00 2.25 H new ATOM 0 HB3 GLU A 72 -8.850 2.450 -8.450 1.00 2.25 H new ATOM 0 HG2 GLU A 72 -9.345 0.104 -9.321 1.00 3.62 H new ATOM 0 HG3 GLU A 72 -10.158 0.842 -10.687 1.00 3.62 H new ATOM 1114 N ASN A 73 -13.346 1.746 -8.261 1.00 2.55 N ATOM 1115 CA ASN A 73 -14.627 1.391 -8.842 1.00 3.32 C ATOM 1116 C ASN A 73 -15.555 1.026 -7.687 1.00 3.70 C ATOM 1117 O ASN A 73 -15.082 0.799 -6.575 1.00 4.26 O ATOM 1118 CB ASN A 73 -14.467 0.179 -9.775 1.00 4.96 C ATOM 1119 CG ASN A 73 -13.991 -1.060 -9.011 1.00 5.76 C ATOM 1120 OD1 ASN A 73 -12.861 -1.105 -8.528 1.00 6.25 O ATOM 1121 ND2 ASN A 73 -14.849 -2.068 -8.881 1.00 6.86 N ATOM 0 H ASN A 73 -13.332 1.639 -7.247 1.00 2.55 H new ATOM 0 HA ASN A 73 -15.028 2.220 -9.425 1.00 3.32 H new ATOM 0 HB2 ASN A 73 -15.419 -0.035 -10.261 1.00 4.96 H new ATOM 0 HB3 ASN A 73 -13.753 0.418 -10.564 1.00 4.96 H new ATOM 0 HD21 ASN A 73 -14.576 -2.907 -8.370 1.00 6.86 H new ATOM 0 HD22 ASN A 73 -15.780 -2.002 -9.293 1.00 6.86 H new ATOM 1128 N ILE A 74 -16.856 0.948 -7.961 1.00 4.32 N ATOM 1129 CA ILE A 74 -17.874 0.434 -7.059 1.00 5.52 C ATOM 1130 C ILE A 74 -18.873 -0.332 -7.926 1.00 6.55 C ATOM 1131 O ILE A 74 -18.870 -0.156 -9.145 1.00 6.83 O ATOM 1132 CB ILE A 74 -18.553 1.574 -6.268 1.00 5.90 C ATOM 1133 CG1 ILE A 74 -19.141 2.652 -7.198 1.00 6.55 C ATOM 1134 CG2 ILE A 74 -17.571 2.187 -5.260 1.00 5.92 C ATOM 1135 CD1 ILE A 74 -19.953 3.705 -6.438 1.00 7.43 C ATOM 0 H ILE A 74 -17.241 1.255 -8.855 1.00 4.32 H new ATOM 0 HA ILE A 74 -17.437 -0.223 -6.307 1.00 5.52 H new ATOM 0 HB ILE A 74 -19.389 1.141 -5.718 1.00 5.90 H new ATOM 0 HG12 ILE A 74 -18.331 3.143 -7.737 1.00 6.55 H new ATOM 0 HG13 ILE A 74 -19.778 2.176 -7.944 1.00 6.55 H new ATOM 0 HG21 ILE A 74 -18.066 2.989 -4.711 1.00 5.92 H new ATOM 0 HG22 ILE A 74 -17.241 1.419 -4.561 1.00 5.92 H new ATOM 0 HG23 ILE A 74 -16.708 2.590 -5.791 1.00 5.92 H new ATOM 0 HD11 ILE A 74 -20.344 4.440 -7.141 1.00 7.43 H new ATOM 0 HD12 ILE A 74 -20.781 3.222 -5.920 1.00 7.43 H new ATOM 0 HD13 ILE A 74 -19.312 4.204 -5.711 1.00 7.43 H new ATOM 1147 N GLU A 75 -19.704 -1.174 -7.310 1.00 7.55 N ATOM 1148 CA GLU A 75 -20.740 -1.948 -7.974 1.00 8.79 C ATOM 1149 C GLU A 75 -21.708 -2.418 -6.884 1.00 9.61 C ATOM 1150 O GLU A 75 -21.497 -2.114 -5.709 1.00 9.87 O ATOM 1151 CB GLU A 75 -20.114 -3.130 -8.740 1.00 9.72 C ATOM 1152 CG GLU A 75 -20.801 -3.366 -10.091 1.00 10.66 C ATOM 1153 CD GLU A 75 -20.273 -4.619 -10.776 1.00 11.63 C ATOM 1154 OE1 GLU A 75 -19.049 -4.850 -10.716 1.00 12.03 O ATOM 1155 OE2 GLU A 75 -21.125 -5.360 -11.317 1.00 12.26 O ATOM 0 H GLU A 75 -19.669 -1.337 -6.304 1.00 7.55 H new ATOM 0 HA GLU A 75 -21.276 -1.352 -8.713 1.00 8.79 H new ATOM 0 HB2 GLU A 75 -19.053 -2.937 -8.901 1.00 9.72 H new ATOM 0 HB3 GLU A 75 -20.185 -4.033 -8.134 1.00 9.72 H new ATOM 0 HG2 GLU A 75 -21.877 -3.458 -9.942 1.00 10.66 H new ATOM 0 HG3 GLU A 75 -20.641 -2.503 -10.737 1.00 10.66 H new ATOM 1162 N GLY A 76 -22.743 -3.170 -7.260 1.00 10.34 N ATOM 1163 CA GLY A 76 -23.693 -3.775 -6.342 1.00 11.46 C ATOM 1164 C GLY A 76 -24.369 -4.940 -7.056 1.00 12.58 C ATOM 1165 O GLY A 76 -24.347 -5.004 -8.287 1.00 12.74 O ATOM 0 H GLY A 76 -22.944 -3.377 -8.238 1.00 10.34 H new ATOM 0 HA2 GLY A 76 -23.184 -4.124 -5.443 1.00 11.46 H new ATOM 0 HA3 GLY A 76 -24.434 -3.042 -6.024 1.00 11.46 H new ATOM 1169 N ARG A 77 -24.938 -5.879 -6.306 1.00 13.64 N ATOM 1170 CA ARG A 77 -25.635 -7.039 -6.816 1.00 14.89 C ATOM 1171 C ARG A 77 -26.507 -7.521 -5.657 1.00 15.66 C ATOM 1172 O ARG A 77 -26.246 -7.025 -4.535 1.00 15.80 O ATOM 1173 CB ARG A 77 -24.623 -8.116 -7.246 1.00 15.88 C ATOM 1174 CG ARG A 77 -25.227 -9.088 -8.267 1.00 17.19 C ATOM 1175 CD ARG A 77 -25.205 -8.517 -9.692 1.00 17.12 C ATOM 1176 NE ARG A 77 -23.865 -8.619 -10.300 1.00 17.38 N ATOM 1177 CZ ARG A 77 -23.049 -7.604 -10.637 1.00 16.97 C ATOM 1178 NH1 ARG A 77 -23.312 -6.341 -10.308 1.00 16.23 N ATOM 1179 NH2 ARG A 77 -21.928 -7.839 -11.322 1.00 17.60 N ATOM 1180 OXT ARG A 77 -27.399 -8.356 -5.911 1.00 16.31 O ATOM 0 H ARG A 77 -24.921 -5.844 -5.287 1.00 13.64 H new ATOM 0 HA ARG A 77 -26.237 -6.814 -7.696 1.00 14.89 H new ATOM 0 HB2 ARG A 77 -23.743 -7.637 -7.676 1.00 15.88 H new ATOM 0 HB3 ARG A 77 -24.288 -8.671 -6.370 1.00 15.88 H new ATOM 0 HG2 ARG A 77 -24.673 -10.027 -8.245 1.00 17.19 H new ATOM 0 HG3 ARG A 77 -26.255 -9.317 -7.985 1.00 17.19 H new ATOM 0 HD2 ARG A 77 -25.926 -9.052 -10.310 1.00 17.12 H new ATOM 0 HD3 ARG A 77 -25.516 -7.473 -9.670 1.00 17.12 H new ATOM 0 HE ARG A 77 -23.520 -9.561 -10.485 1.00 17.38 H new ATOM 0 HH11 ARG A 77 -24.157 -6.116 -9.782 1.00 16.23 H new ATOM 0 HH12 ARG A 77 -22.669 -5.598 -10.582 1.00 16.23 H new ATOM 0 HH21 ARG A 77 -21.686 -8.792 -11.593 1.00 17.60 H new ATOM 0 HH22 ARG A 77 -21.313 -7.065 -11.575 1.00 17.60 H new TER 1194 ARG A 77 HETATM 1195 CU CU A 78 2.266 -9.650 8.127 1.00 2.92 CU