USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 660 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 27 LYS NZ :NH3+ -113:sc= -5.29! (180deg=-0.439) USER MOD Set 1.2: A 84 MET CE :methyl -146:sc= -23.4! (180deg=-14.7!) USER MOD Set 2.1: A 4 ASN : amide:sc= -22.6! C(o=-41!,f=-38!) USER MOD Set 2.2: A 62 ASN : amide:sc= -18.3! C(o=-41!,f=-53!) USER MOD Single : A 1 MET CE :methyl -150:sc= -0.969! (180deg=-4.21!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.39 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -2.85! USER MOD Single : A 15 TYR OH : rot 180:sc= -0.0167 USER MOD Single : A 16 CYS SG : rot 20:sc= -4.72! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -8.05! (180deg=-9.19!) USER MOD Single : A 51 TYR OH : rot 180:sc= -5.99! USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -150:sc= -0.193 USER MOD Single : A 81 ASN : amide:sc= -2.16! K(o=-2.2!,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.466 -3.586 9.949 1.00 0.00 N ATOM 2 CA MET A 1 -11.163 -2.772 8.736 1.00 0.00 C ATOM 3 C MET A 1 -11.269 -3.637 7.479 1.00 0.00 C ATOM 4 O MET A 1 -10.758 -4.739 7.427 1.00 0.00 O ATOM 5 CB MET A 1 -9.726 -2.286 8.934 1.00 0.00 C ATOM 6 CG MET A 1 -9.116 -1.930 7.577 1.00 0.00 C ATOM 7 SD MET A 1 -8.080 -0.455 7.750 1.00 0.00 S ATOM 8 CE MET A 1 -9.284 0.563 8.639 1.00 0.00 C ATOM 0 H1 MET A 1 -11.391 -2.988 10.796 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.431 -3.967 9.879 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.788 -4.371 10.018 1.00 0.00 H new ATOM 0 HA MET A 1 -11.860 -1.943 8.610 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.712 -1.416 9.590 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.132 -3.061 9.419 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.521 -2.764 7.204 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.905 -1.750 6.847 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.118 1.614 8.401 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.293 0.278 8.340 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.167 0.411 9.712 1.00 0.00 H new ATOM 20 N VAL A 2 -11.927 -3.147 6.465 1.00 0.00 N ATOM 21 CA VAL A 2 -12.060 -3.938 5.215 1.00 0.00 C ATOM 22 C VAL A 2 -10.794 -3.822 4.369 1.00 0.00 C ATOM 23 O VAL A 2 -9.849 -4.565 4.530 1.00 0.00 O ATOM 24 CB VAL A 2 -13.239 -3.320 4.465 1.00 0.00 C ATOM 25 CG1 VAL A 2 -13.196 -1.800 4.617 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.143 -3.691 2.982 1.00 0.00 C ATOM 0 H VAL A 2 -12.378 -2.232 6.450 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.213 -4.996 5.427 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.175 -3.698 4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.036 -1.357 4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.259 -1.538 5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.262 -1.419 4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -13.982 -3.252 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.208 -3.310 2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.170 -4.775 2.876 1.00 0.00 H new ATOM 36 N VAL A 3 -10.787 -2.916 3.453 1.00 0.00 N ATOM 37 CA VAL A 3 -9.612 -2.711 2.628 1.00 0.00 C ATOM 38 C VAL A 3 -8.620 -1.730 3.249 1.00 0.00 C ATOM 39 O VAL A 3 -8.983 -0.607 3.599 1.00 0.00 O ATOM 40 CB VAL A 3 -10.167 -2.177 1.287 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.036 -1.694 0.375 1.00 0.00 C ATOM 42 CG2 VAL A 3 -10.925 -3.318 0.589 1.00 0.00 C ATOM 0 H VAL A 3 -11.572 -2.299 3.245 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.045 -3.634 2.510 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.828 -1.333 1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.456 -1.324 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.488 -0.892 0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.358 -2.522 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.325 -2.962 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.244 -4.149 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.744 -3.653 1.225 1.00 0.00 H new ATOM 52 N ASN A 4 -7.352 -2.037 3.284 1.00 0.00 N ATOM 53 CA ASN A 4 -6.377 -1.027 3.861 1.00 0.00 C ATOM 54 C ASN A 4 -4.992 -1.255 3.246 1.00 0.00 C ATOM 55 O ASN A 4 -4.343 -2.232 3.214 1.00 0.00 O ATOM 56 CB ASN A 4 -6.152 -1.615 5.333 1.00 0.00 C ATOM 57 CG ASN A 4 -5.409 -0.562 6.163 1.00 0.00 C ATOM 58 OD1 ASN A 4 -5.748 0.599 6.093 1.00 0.00 O ATOM 59 ND2 ASN A 4 -4.409 -0.903 6.937 1.00 0.00 N ATOM 0 H ASN A 4 -6.944 -2.911 2.953 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.726 -0.001 3.741 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.109 -1.857 5.796 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.576 -2.539 5.289 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.918 -0.192 7.479 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.121 -1.880 6.998 1.00 0.00 H new ATOM 66 N ILE A 5 -4.748 -0.289 2.387 1.00 0.00 N ATOM 67 CA ILE A 5 -3.626 -0.136 1.498 1.00 0.00 C ATOM 68 C ILE A 5 -2.750 1.094 1.664 1.00 0.00 C ATOM 69 O ILE A 5 -3.390 2.163 1.452 1.00 0.00 O ATOM 70 CB ILE A 5 -4.002 -0.544 0.113 1.00 0.00 C ATOM 71 CG1 ILE A 5 -5.085 -1.628 0.198 1.00 0.00 C ATOM 72 CG2 ILE A 5 -2.792 -1.107 -0.658 1.00 0.00 C ATOM 73 CD1 ILE A 5 -4.885 -2.637 -0.935 1.00 0.00 C ATOM 0 H ILE A 5 -5.402 0.487 2.287 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.872 -0.849 1.832 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.367 0.335 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.034 -2.133 1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.074 -1.176 0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.102 -1.394 -1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.015 -0.345 -0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.402 -1.980 -0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.654 -3.408 -0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.957 -2.125 -1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.901 -3.098 -0.843 1.00 0.00 H new ATOM 85 N GLU A 6 -1.483 1.080 1.741 1.00 0.00 N ATOM 86 CA GLU A 6 -0.949 2.429 1.583 1.00 0.00 C ATOM 87 C GLU A 6 0.196 2.316 0.607 1.00 0.00 C ATOM 88 O GLU A 6 1.288 1.762 0.688 1.00 0.00 O ATOM 89 CB GLU A 6 -0.125 2.502 3.036 1.00 0.00 C ATOM 90 CG GLU A 6 0.521 3.878 3.274 1.00 0.00 C ATOM 91 CD GLU A 6 -0.303 4.912 2.515 1.00 0.00 C ATOM 92 OE1 GLU A 6 -0.195 4.950 1.298 1.00 0.00 O ATOM 93 OE2 GLU A 6 -1.025 5.653 3.160 1.00 0.00 O ATOM 0 H GLU A 6 -0.847 0.297 1.889 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.667 3.204 1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.812 2.280 3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.647 1.733 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.542 4.112 4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.554 3.881 2.926 1.00 0.00 H new ATOM 100 N VAL A 7 0.056 3.095 -0.446 1.00 0.00 N ATOM 101 CA VAL A 7 0.938 3.041 -1.631 1.00 0.00 C ATOM 102 C VAL A 7 1.705 4.280 -1.714 1.00 0.00 C ATOM 103 O VAL A 7 1.264 5.384 -1.947 1.00 0.00 O ATOM 104 CB VAL A 7 -0.017 3.035 -2.909 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.855 1.764 -3.011 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.971 4.254 -2.869 1.00 0.00 C ATOM 0 H VAL A 7 -0.679 3.799 -0.520 1.00 0.00 H new ATOM 0 HA VAL A 7 1.597 2.174 -1.576 1.00 0.00 H new ATOM 0 HB VAL A 7 0.634 3.083 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.486 1.814 -3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.196 0.899 -3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.483 1.670 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.618 4.239 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.582 4.209 -1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.386 5.174 -2.865 1.00 0.00 H new ATOM 116 N PHE A 8 2.968 4.119 -1.251 1.00 0.00 N ATOM 117 CA PHE A 8 3.890 5.278 -1.177 1.00 0.00 C ATOM 118 C PHE A 8 5.037 5.057 -2.175 1.00 0.00 C ATOM 119 O PHE A 8 5.974 4.319 -1.898 1.00 0.00 O ATOM 120 CB PHE A 8 4.394 5.252 0.275 1.00 0.00 C ATOM 121 CG PHE A 8 5.742 5.918 0.375 1.00 0.00 C ATOM 122 CD1 PHE A 8 6.907 5.196 0.083 1.00 0.00 C ATOM 123 CD2 PHE A 8 5.830 7.258 0.756 1.00 0.00 C ATOM 124 CE1 PHE A 8 8.158 5.819 0.177 1.00 0.00 C ATOM 125 CE2 PHE A 8 7.078 7.879 0.846 1.00 0.00 C ATOM 126 CZ PHE A 8 8.241 7.160 0.558 1.00 0.00 C ATOM 0 H PHE A 8 3.361 3.233 -0.934 1.00 0.00 H new ATOM 0 HA PHE A 8 3.431 6.235 -1.426 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.681 5.761 0.923 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.463 4.222 0.624 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.840 4.160 -0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.933 7.815 0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 8 9.057 5.263 -0.045 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.144 8.916 1.139 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.205 7.642 0.630 1.00 0.00 H new ATOM 136 N THR A 9 5.023 5.743 -3.271 1.00 0.00 N ATOM 137 CA THR A 9 6.132 5.616 -4.264 1.00 0.00 C ATOM 138 C THR A 9 6.560 6.988 -4.766 1.00 0.00 C ATOM 139 O THR A 9 7.680 7.403 -4.609 1.00 0.00 O ATOM 140 CB THR A 9 5.554 4.755 -5.383 1.00 0.00 C ATOM 141 OG1 THR A 9 6.252 3.518 -5.438 1.00 0.00 O ATOM 142 CG2 THR A 9 5.704 5.490 -6.712 1.00 0.00 C ATOM 0 H THR A 9 4.285 6.397 -3.533 1.00 0.00 H new ATOM 0 HA THR A 9 7.029 5.166 -3.839 1.00 0.00 H new ATOM 0 HB THR A 9 4.498 4.563 -5.191 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.880 2.964 -6.156 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.292 4.878 -7.515 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.167 6.438 -6.666 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.760 5.680 -6.906 1.00 0.00 H new ATOM 150 N SER A 10 5.648 7.706 -5.380 1.00 0.00 N ATOM 151 CA SER A 10 6.011 9.047 -5.911 1.00 0.00 C ATOM 152 C SER A 10 4.801 9.747 -6.536 1.00 0.00 C ATOM 153 O SER A 10 3.928 9.124 -7.104 1.00 0.00 O ATOM 154 CB SER A 10 7.055 8.779 -7.009 1.00 0.00 C ATOM 155 OG SER A 10 7.844 9.949 -7.200 1.00 0.00 O ATOM 0 H SER A 10 4.681 7.421 -5.532 1.00 0.00 H new ATOM 0 HA SER A 10 6.382 9.692 -5.114 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.690 7.940 -6.726 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.559 8.504 -7.940 1.00 0.00 H new ATOM 0 HG SER A 10 8.512 9.783 -7.898 1.00 0.00 H new ATOM 161 N PRO A 11 4.772 11.043 -6.342 1.00 0.00 N ATOM 162 CA PRO A 11 3.650 11.874 -6.840 1.00 0.00 C ATOM 163 C PRO A 11 3.777 12.084 -8.352 1.00 0.00 C ATOM 164 O PRO A 11 2.879 12.591 -8.994 1.00 0.00 O ATOM 165 CB PRO A 11 3.821 13.196 -6.098 1.00 0.00 C ATOM 166 CG PRO A 11 5.274 13.265 -5.744 1.00 0.00 C ATOM 167 CD PRO A 11 5.786 11.849 -5.644 1.00 0.00 C ATOM 0 HA PRO A 11 2.674 11.420 -6.671 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.528 14.039 -6.724 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.197 13.230 -5.205 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.827 13.820 -6.502 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.414 13.790 -4.799 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.765 11.747 -6.111 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.894 11.538 -4.605 1.00 0.00 H new ATOM 175 N THR A 12 4.882 11.703 -8.927 1.00 0.00 N ATOM 176 CA THR A 12 5.046 11.889 -10.397 1.00 0.00 C ATOM 177 C THR A 12 4.299 10.786 -11.146 1.00 0.00 C ATOM 178 O THR A 12 4.252 10.761 -12.360 1.00 0.00 O ATOM 179 CB THR A 12 6.563 11.774 -10.637 1.00 0.00 C ATOM 180 OG1 THR A 12 6.960 12.740 -11.600 1.00 0.00 O ATOM 181 CG2 THR A 12 6.905 10.373 -11.147 1.00 0.00 C ATOM 0 H THR A 12 5.674 11.274 -8.448 1.00 0.00 H new ATOM 0 HA THR A 12 4.647 12.841 -10.748 1.00 0.00 H new ATOM 0 HB THR A 12 7.091 11.951 -9.700 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.925 12.671 -11.754 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.980 10.299 -11.315 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.601 9.632 -10.407 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.378 10.188 -12.083 1.00 0.00 H new ATOM 189 N CYS A 13 3.756 9.843 -10.426 1.00 0.00 N ATOM 190 CA CYS A 13 3.005 8.730 -11.069 1.00 0.00 C ATOM 191 C CYS A 13 2.072 8.068 -10.053 1.00 0.00 C ATOM 192 O CYS A 13 1.893 8.553 -8.957 1.00 0.00 O ATOM 193 CB CYS A 13 4.059 7.794 -11.604 1.00 0.00 C ATOM 194 SG CYS A 13 4.521 6.632 -10.305 1.00 0.00 S ATOM 0 H CYS A 13 3.802 9.797 -9.408 1.00 0.00 H new ATOM 0 HA CYS A 13 2.356 9.064 -11.879 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.680 7.257 -12.473 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.932 8.358 -11.933 1.00 0.00 H new ATOM 0 HG CYS A 13 5.429 5.817 -10.754 1.00 0.00 H new ATOM 200 N PRO A 14 1.588 6.913 -10.426 1.00 0.00 N ATOM 201 CA PRO A 14 0.734 6.119 -9.521 1.00 0.00 C ATOM 202 C PRO A 14 1.593 5.278 -8.569 1.00 0.00 C ATOM 203 O PRO A 14 2.339 4.417 -8.992 1.00 0.00 O ATOM 204 CB PRO A 14 -0.045 5.221 -10.473 1.00 0.00 C ATOM 205 CG PRO A 14 0.813 5.090 -11.697 1.00 0.00 C ATOM 206 CD PRO A 14 1.787 6.247 -11.717 1.00 0.00 C ATOM 0 HA PRO A 14 0.092 6.733 -8.889 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.238 4.247 -10.023 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.014 5.656 -10.718 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.350 4.141 -11.685 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.197 5.096 -12.596 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.814 5.900 -11.831 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.585 6.923 -12.548 1.00 0.00 H new ATOM 214 N TYR A 15 1.491 5.516 -7.289 1.00 0.00 N ATOM 215 CA TYR A 15 2.302 4.720 -6.324 1.00 0.00 C ATOM 216 C TYR A 15 2.152 3.225 -6.635 1.00 0.00 C ATOM 217 O TYR A 15 2.962 2.640 -7.326 1.00 0.00 O ATOM 218 CB TYR A 15 1.719 5.052 -4.948 1.00 0.00 C ATOM 219 CG TYR A 15 1.366 6.519 -4.885 1.00 0.00 C ATOM 220 CD1 TYR A 15 2.207 7.469 -5.476 1.00 0.00 C ATOM 221 CD2 TYR A 15 0.197 6.928 -4.236 1.00 0.00 C ATOM 222 CE1 TYR A 15 1.877 8.826 -5.416 1.00 0.00 C ATOM 223 CE2 TYR A 15 -0.132 8.287 -4.177 1.00 0.00 C ATOM 224 CZ TYR A 15 0.708 9.236 -4.767 1.00 0.00 C ATOM 225 OH TYR A 15 0.385 10.577 -4.708 1.00 0.00 O ATOM 0 H TYR A 15 0.885 6.223 -6.872 1.00 0.00 H new ATOM 0 HA TYR A 15 3.366 4.953 -6.375 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.832 4.446 -4.763 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.440 4.808 -4.168 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.110 7.154 -5.978 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.452 6.195 -3.780 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.526 9.559 -5.872 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.035 8.603 -3.676 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.459 10.689 -4.223 1.00 0.00 H new ATOM 235 N CYS A 16 1.113 2.604 -6.137 1.00 0.00 N ATOM 236 CA CYS A 16 0.898 1.152 -6.412 1.00 0.00 C ATOM 237 C CYS A 16 -0.592 0.809 -6.281 1.00 0.00 C ATOM 238 O CYS A 16 -0.947 -0.229 -5.755 1.00 0.00 O ATOM 239 CB CYS A 16 1.709 0.422 -5.342 1.00 0.00 C ATOM 240 SG CYS A 16 3.464 0.464 -5.781 1.00 0.00 S ATOM 0 H CYS A 16 0.403 3.042 -5.550 1.00 0.00 H new ATOM 0 HA CYS A 16 1.206 0.870 -7.419 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.555 0.892 -4.370 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.370 -0.610 -5.255 1.00 0.00 H new ATOM 0 HG CYS A 16 3.677 1.430 -6.625 1.00 0.00 H new ATOM 246 N PRO A 17 -1.415 1.705 -6.757 1.00 0.00 N ATOM 247 CA PRO A 17 -2.889 1.512 -6.688 1.00 0.00 C ATOM 248 C PRO A 17 -3.357 0.461 -7.701 1.00 0.00 C ATOM 249 O PRO A 17 -4.460 0.526 -8.205 1.00 0.00 O ATOM 250 CB PRO A 17 -3.443 2.882 -7.062 1.00 0.00 C ATOM 251 CG PRO A 17 -2.370 3.515 -7.890 1.00 0.00 C ATOM 252 CD PRO A 17 -1.055 2.973 -7.399 1.00 0.00 C ATOM 0 HA PRO A 17 -3.219 1.160 -5.711 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.374 2.793 -7.622 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.660 3.476 -6.175 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.512 3.284 -8.946 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.399 4.600 -7.794 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.354 2.821 -8.220 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.579 3.656 -6.696 1.00 0.00 H new ATOM 260 N MET A 18 -2.534 -0.500 -8.011 1.00 0.00 N ATOM 261 CA MET A 18 -2.950 -1.539 -8.997 1.00 0.00 C ATOM 262 C MET A 18 -3.161 -2.878 -8.299 1.00 0.00 C ATOM 263 O MET A 18 -4.244 -3.432 -8.304 1.00 0.00 O ATOM 264 CB MET A 18 -1.787 -1.638 -9.981 1.00 0.00 C ATOM 265 CG MET A 18 -2.190 -2.521 -11.164 1.00 0.00 C ATOM 266 SD MET A 18 -1.058 -3.929 -11.280 1.00 0.00 S ATOM 267 CE MET A 18 -2.309 -5.201 -11.585 1.00 0.00 C ATOM 0 H MET A 18 -1.596 -0.613 -7.628 1.00 0.00 H new ATOM 0 HA MET A 18 -3.888 -1.283 -9.490 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.510 -0.644 -10.333 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.911 -2.056 -9.484 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.214 -2.873 -11.036 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.165 -1.943 -12.088 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.823 -6.171 -11.691 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.006 -5.234 -10.748 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.852 -4.965 -12.500 1.00 0.00 H new ATOM 277 N ALA A 19 -2.127 -3.411 -7.713 1.00 0.00 N ATOM 278 CA ALA A 19 -2.270 -4.725 -7.031 1.00 0.00 C ATOM 279 C ALA A 19 -3.331 -4.636 -5.939 1.00 0.00 C ATOM 280 O ALA A 19 -3.880 -5.632 -5.507 1.00 0.00 O ATOM 281 CB ALA A 19 -0.898 -4.979 -6.403 1.00 0.00 C ATOM 0 H ALA A 19 -1.195 -2.997 -7.677 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.574 -5.518 -7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.910 -5.933 -5.875 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.139 -5.007 -7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.666 -4.179 -5.700 1.00 0.00 H new ATOM 287 N ILE A 20 -3.646 -3.444 -5.509 1.00 0.00 N ATOM 288 CA ILE A 20 -4.692 -3.296 -4.462 1.00 0.00 C ATOM 289 C ILE A 20 -6.075 -3.490 -5.071 1.00 0.00 C ATOM 290 O ILE A 20 -6.942 -4.105 -4.488 1.00 0.00 O ATOM 291 CB ILE A 20 -4.537 -1.864 -3.949 1.00 0.00 C ATOM 292 CG1 ILE A 20 -5.026 -0.884 -5.019 1.00 0.00 C ATOM 293 CG2 ILE A 20 -3.064 -1.587 -3.641 1.00 0.00 C ATOM 294 CD1 ILE A 20 -5.100 0.525 -4.426 1.00 0.00 C ATOM 0 H ILE A 20 -3.227 -2.573 -5.836 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.585 -4.032 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.127 -1.738 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.350 -0.895 -5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.007 -1.188 -5.385 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.954 -0.566 -3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.714 -2.284 -2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.473 -1.713 -4.548 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.448 1.223 -5.188 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.794 0.530 -3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.111 0.827 -4.082 1.00 0.00 H new ATOM 306 N GLU A 21 -6.274 -3.006 -6.265 1.00 0.00 N ATOM 307 CA GLU A 21 -7.586 -3.198 -6.927 1.00 0.00 C ATOM 308 C GLU A 21 -7.959 -4.669 -6.817 1.00 0.00 C ATOM 309 O GLU A 21 -9.104 -5.027 -6.627 1.00 0.00 O ATOM 310 CB GLU A 21 -7.384 -2.772 -8.379 1.00 0.00 C ATOM 311 CG GLU A 21 -8.665 -3.036 -9.171 1.00 0.00 C ATOM 312 CD GLU A 21 -8.427 -2.707 -10.646 1.00 0.00 C ATOM 313 OE1 GLU A 21 -7.346 -2.997 -11.130 1.00 0.00 O ATOM 314 OE2 GLU A 21 -9.330 -2.171 -11.267 1.00 0.00 O ATOM 0 H GLU A 21 -5.583 -2.487 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.391 -2.617 -6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.126 -1.714 -8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.552 -3.323 -8.818 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.964 -4.079 -9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.480 -2.428 -8.778 1.00 0.00 H new ATOM 321 N VAL A 22 -6.987 -5.529 -6.935 1.00 0.00 N ATOM 322 CA VAL A 22 -7.267 -6.986 -6.816 1.00 0.00 C ATOM 323 C VAL A 22 -7.585 -7.323 -5.355 1.00 0.00 C ATOM 324 O VAL A 22 -8.513 -8.026 -5.049 1.00 0.00 O ATOM 325 CB VAL A 22 -5.988 -7.685 -7.276 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.896 -9.065 -6.622 1.00 0.00 C ATOM 327 CG2 VAL A 22 -6.017 -7.847 -8.799 1.00 0.00 C ATOM 0 H VAL A 22 -6.012 -5.286 -7.109 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.122 -7.301 -7.414 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.124 -7.087 -6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.984 -9.563 -6.950 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.878 -8.953 -5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.760 -9.663 -6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.106 -8.345 -9.129 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.882 -8.446 -9.085 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.084 -6.865 -9.268 1.00 0.00 H new ATOM 337 N VAL A 23 -6.806 -6.801 -4.461 1.00 0.00 N ATOM 338 CA VAL A 23 -7.040 -6.962 -3.010 1.00 0.00 C ATOM 339 C VAL A 23 -8.367 -6.314 -2.622 1.00 0.00 C ATOM 340 O VAL A 23 -9.016 -6.671 -1.663 1.00 0.00 O ATOM 341 CB VAL A 23 -5.829 -6.427 -2.291 1.00 0.00 C ATOM 342 CG1 VAL A 23 -6.253 -5.276 -1.403 1.00 0.00 C ATOM 343 CG2 VAL A 23 -5.207 -7.542 -1.436 1.00 0.00 C ATOM 0 H VAL A 23 -5.981 -6.246 -4.689 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.149 -8.006 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.091 -6.079 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.383 -4.882 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.696 -4.489 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.986 -5.627 -0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.331 -7.156 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.938 -7.892 -0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.911 -8.371 -2.079 1.00 0.00 H new ATOM 353 N ASP A 24 -8.670 -5.219 -3.275 1.00 0.00 N ATOM 354 CA ASP A 24 -9.898 -4.454 -2.969 1.00 0.00 C ATOM 355 C ASP A 24 -11.093 -5.260 -3.446 1.00 0.00 C ATOM 356 O ASP A 24 -12.145 -5.294 -2.847 1.00 0.00 O ATOM 357 CB ASP A 24 -9.761 -3.126 -3.695 1.00 0.00 C ATOM 358 CG ASP A 24 -10.560 -2.054 -2.950 1.00 0.00 C ATOM 359 OD1 ASP A 24 -11.777 -2.116 -2.990 1.00 0.00 O ATOM 360 OD2 ASP A 24 -9.940 -1.185 -2.359 1.00 0.00 O ATOM 0 H ASP A 24 -8.099 -4.823 -4.022 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.040 -4.268 -1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.711 -2.838 -3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.124 -3.220 -4.719 1.00 0.00 H new ATOM 365 N GLU A 25 -10.921 -5.882 -4.580 1.00 0.00 N ATOM 366 CA GLU A 25 -12.000 -6.694 -5.173 1.00 0.00 C ATOM 367 C GLU A 25 -12.429 -7.764 -4.169 1.00 0.00 C ATOM 368 O GLU A 25 -13.595 -8.010 -3.950 1.00 0.00 O ATOM 369 CB GLU A 25 -11.372 -7.312 -6.419 1.00 0.00 C ATOM 370 CG GLU A 25 -12.127 -6.841 -7.665 1.00 0.00 C ATOM 371 CD GLU A 25 -12.643 -8.056 -8.438 1.00 0.00 C ATOM 372 OE1 GLU A 25 -11.824 -8.837 -8.891 1.00 0.00 O ATOM 373 OE2 GLU A 25 -13.850 -8.184 -8.563 1.00 0.00 O ATOM 0 H GLU A 25 -10.059 -5.856 -5.124 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.892 -6.120 -5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.322 -7.027 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.403 -8.400 -6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.960 -6.199 -7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.469 -6.246 -8.299 1.00 0.00 H new ATOM 380 N ALA A 26 -11.463 -8.428 -3.580 1.00 0.00 N ATOM 381 CA ALA A 26 -11.776 -9.481 -2.576 1.00 0.00 C ATOM 382 C ALA A 26 -12.168 -8.847 -1.252 1.00 0.00 C ATOM 383 O ALA A 26 -13.070 -9.305 -0.563 1.00 0.00 O ATOM 384 CB ALA A 26 -10.499 -10.289 -2.438 1.00 0.00 C ATOM 0 H ALA A 26 -10.469 -8.282 -3.756 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.615 -10.107 -2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.651 -11.088 -1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.236 -10.721 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.692 -9.639 -2.099 1.00 0.00 H new ATOM 390 N LYS A 27 -11.465 -7.808 -0.853 1.00 0.00 N ATOM 391 CA LYS A 27 -11.802 -7.219 0.470 1.00 0.00 C ATOM 392 C LYS A 27 -13.124 -6.487 0.379 1.00 0.00 C ATOM 393 O LYS A 27 -13.827 -6.329 1.356 1.00 0.00 O ATOM 394 CB LYS A 27 -10.679 -6.183 0.688 1.00 0.00 C ATOM 395 CG LYS A 27 -9.428 -6.877 1.224 1.00 0.00 C ATOM 396 CD LYS A 27 -9.854 -8.010 2.161 1.00 0.00 C ATOM 397 CE LYS A 27 -10.136 -9.280 1.347 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.791 -9.823 1.004 1.00 0.00 N ATOM 0 H LYS A 27 -10.705 -7.363 -1.367 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.881 -7.963 1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.451 -5.678 -0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.010 -5.418 1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.834 -7.272 0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.800 -6.163 1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.070 -8.203 2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.745 -7.718 2.717 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.716 -9.999 1.925 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.711 -9.054 0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.640 -9.754 -0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.059 -9.275 1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.734 -10.820 1.296 1.00 0.00 H new ATOM 412 N LYS A 28 -13.554 -6.176 -0.815 1.00 0.00 N ATOM 413 CA LYS A 28 -14.905 -5.583 -0.984 1.00 0.00 C ATOM 414 C LYS A 28 -15.934 -6.657 -0.692 1.00 0.00 C ATOM 415 O LYS A 28 -16.893 -6.448 0.032 1.00 0.00 O ATOM 416 CB LYS A 28 -14.959 -5.164 -2.449 1.00 0.00 C ATOM 417 CG LYS A 28 -15.094 -3.644 -2.550 1.00 0.00 C ATOM 418 CD LYS A 28 -15.494 -3.261 -3.976 1.00 0.00 C ATOM 419 CE LYS A 28 -16.110 -1.860 -3.975 1.00 0.00 C ATOM 420 NZ LYS A 28 -17.341 -1.981 -4.806 1.00 0.00 N ATOM 0 H LYS A 28 -13.026 -6.308 -1.678 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.103 -4.740 -0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.056 -5.493 -2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.802 -5.647 -2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.843 -3.287 -1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.151 -3.166 -2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.621 -3.286 -4.629 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.208 -3.983 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.348 -1.534 -2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.422 -1.126 -4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.820 -1.059 -4.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.083 -2.287 -5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.980 -2.682 -4.380 1.00 0.00 H new ATOM 434 N GLU A 29 -15.715 -7.825 -1.248 1.00 0.00 N ATOM 435 CA GLU A 29 -16.685 -8.940 -1.036 1.00 0.00 C ATOM 436 C GLU A 29 -16.926 -9.144 0.450 1.00 0.00 C ATOM 437 O GLU A 29 -18.049 -9.340 0.888 1.00 0.00 O ATOM 438 CB GLU A 29 -15.893 -10.146 -1.563 1.00 0.00 C ATOM 439 CG GLU A 29 -15.591 -11.135 -0.421 1.00 0.00 C ATOM 440 CD GLU A 29 -16.757 -12.113 -0.273 1.00 0.00 C ATOM 441 OE1 GLU A 29 -17.467 -12.307 -1.246 1.00 0.00 O ATOM 442 OE2 GLU A 29 -16.919 -12.652 0.808 1.00 0.00 O ATOM 0 H GLU A 29 -14.912 -8.051 -1.835 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.652 -8.774 -1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.462 -10.648 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.961 -9.807 -2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.670 -11.679 -0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.436 -10.593 0.512 1.00 0.00 H new ATOM 449 N PHE A 30 -15.989 -8.844 1.259 1.00 0.00 N ATOM 450 CA PHE A 30 -16.161 -9.010 2.702 1.00 0.00 C ATOM 451 C PHE A 30 -16.435 -7.614 3.276 1.00 0.00 C ATOM 452 O PHE A 30 -17.498 -7.419 3.865 1.00 0.00 O ATOM 453 CB PHE A 30 -14.766 -9.487 3.258 1.00 0.00 C ATOM 454 CG PHE A 30 -14.280 -8.545 4.345 1.00 0.00 C ATOM 455 CD1 PHE A 30 -15.108 -8.244 5.431 1.00 0.00 C ATOM 456 CD2 PHE A 30 -13.006 -7.974 4.258 1.00 0.00 C ATOM 457 CE1 PHE A 30 -14.662 -7.372 6.430 1.00 0.00 C ATOM 458 CE2 PHE A 30 -12.560 -7.102 5.257 1.00 0.00 C ATOM 459 CZ PHE A 30 -13.389 -6.800 6.343 1.00 0.00 C ATOM 0 H PHE A 30 -15.080 -8.478 0.976 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.959 -9.708 2.953 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.852 -10.498 3.656 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.038 -9.524 2.448 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.092 -8.685 5.499 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.366 -8.206 3.419 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -15.301 -7.140 7.269 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.576 -6.662 5.190 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.046 -6.126 7.114 1.00 0.00 H new ATOM 469 N GLY A 31 -15.618 -6.692 3.138 1.00 0.00 N ATOM 470 CA GLY A 31 -15.749 -5.274 3.517 1.00 0.00 C ATOM 471 C GLY A 31 -16.553 -4.370 2.544 1.00 0.00 C ATOM 472 O GLY A 31 -15.825 -3.618 1.862 1.00 0.00 O ATOM 0 H GLY A 31 -14.710 -6.872 2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.222 -5.225 4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.748 -4.855 3.624 1.00 0.00 H new ATOM 476 N ASP A 32 -17.778 -4.555 2.203 1.00 0.00 N ATOM 477 CA ASP A 32 -18.270 -3.727 1.064 1.00 0.00 C ATOM 478 C ASP A 32 -17.677 -2.291 1.060 1.00 0.00 C ATOM 479 O ASP A 32 -17.528 -1.695 0.034 1.00 0.00 O ATOM 480 CB ASP A 32 -19.784 -3.537 1.504 1.00 0.00 C ATOM 481 CG ASP A 32 -20.258 -2.098 1.237 1.00 0.00 C ATOM 482 OD1 ASP A 32 -19.821 -1.209 1.950 1.00 0.00 O ATOM 483 OD2 ASP A 32 -21.044 -1.914 0.323 1.00 0.00 O ATOM 0 H ASP A 32 -18.441 -5.204 2.628 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.045 -4.181 0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.416 -4.239 0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -19.890 -3.768 2.564 1.00 0.00 H new ATOM 488 N LYS A 33 -17.184 -1.842 2.160 1.00 0.00 N ATOM 489 CA LYS A 33 -16.363 -0.640 2.347 1.00 0.00 C ATOM 490 C LYS A 33 -14.905 -0.758 1.904 1.00 0.00 C ATOM 491 O LYS A 33 -14.352 -1.834 2.095 1.00 0.00 O ATOM 492 CB LYS A 33 -16.611 -0.071 3.689 1.00 0.00 C ATOM 493 CG LYS A 33 -17.769 -0.836 4.309 1.00 0.00 C ATOM 494 CD LYS A 33 -18.505 0.071 5.291 1.00 0.00 C ATOM 495 CE LYS A 33 -19.674 0.760 4.582 1.00 0.00 C ATOM 496 NZ LYS A 33 -20.714 0.931 5.634 1.00 0.00 N ATOM 0 H LYS A 33 -17.343 -2.329 3.042 1.00 0.00 H new ATOM 0 HA LYS A 33 -16.695 0.109 1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.720 -0.156 4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -16.849 0.990 3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.451 -1.179 3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.400 -1.724 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.872 -0.513 6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.821 0.818 5.694 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.372 1.721 4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -20.045 0.156 3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -21.549 1.397 5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.986 -0.001 6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -20.334 1.516 6.406 1.00 0.00 H new ATOM 510 N ILE A 34 -14.248 0.289 1.495 1.00 0.00 N ATOM 511 CA ILE A 34 -12.772 0.092 1.298 1.00 0.00 C ATOM 512 C ILE A 34 -11.989 1.229 2.009 1.00 0.00 C ATOM 513 O ILE A 34 -12.470 2.315 2.242 1.00 0.00 O ATOM 514 CB ILE A 34 -12.637 0.299 -0.223 1.00 0.00 C ATOM 515 CG1 ILE A 34 -12.529 -1.061 -0.899 1.00 0.00 C ATOM 516 CG2 ILE A 34 -11.390 1.131 -0.545 1.00 0.00 C ATOM 517 CD1 ILE A 34 -13.358 -2.081 -0.115 1.00 0.00 C ATOM 0 H ILE A 34 -14.627 1.215 1.298 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.399 -0.859 1.678 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.514 0.833 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.885 -0.998 -1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.487 -1.377 -0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.312 1.267 -1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.468 2.105 -0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.503 0.614 -0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -13.284 -3.057 -0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.981 -2.149 0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.401 -1.765 -0.096 1.00 0.00 H new ATOM 529 N ASP A 35 -10.753 0.943 2.346 1.00 0.00 N ATOM 530 CA ASP A 35 -9.923 1.915 3.056 1.00 0.00 C ATOM 531 C ASP A 35 -8.524 1.858 2.498 1.00 0.00 C ATOM 532 O ASP A 35 -7.558 1.547 3.203 1.00 0.00 O ATOM 533 CB ASP A 35 -9.937 1.515 4.545 1.00 0.00 C ATOM 534 CG ASP A 35 -10.766 2.522 5.354 1.00 0.00 C ATOM 535 OD1 ASP A 35 -10.461 3.701 5.290 1.00 0.00 O ATOM 536 OD2 ASP A 35 -11.691 2.091 6.023 1.00 0.00 O ATOM 0 H ASP A 35 -10.294 0.054 2.146 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.295 2.933 2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.355 0.515 4.657 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.918 1.479 4.930 1.00 0.00 H new ATOM 541 N VAL A 36 -8.341 2.207 1.265 1.00 0.00 N ATOM 542 CA VAL A 36 -6.987 2.079 0.757 1.00 0.00 C ATOM 543 C VAL A 36 -6.356 3.433 0.728 1.00 0.00 C ATOM 544 O VAL A 36 -6.806 4.426 0.148 1.00 0.00 O ATOM 545 CB VAL A 36 -7.238 1.702 -0.799 1.00 0.00 C ATOM 546 CG1 VAL A 36 -5.904 1.507 -1.539 1.00 0.00 C ATOM 547 CG2 VAL A 36 -8.047 0.404 -0.891 1.00 0.00 C ATOM 0 H VAL A 36 -9.047 2.560 0.619 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.378 1.382 1.333 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.785 2.523 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.100 1.255 -2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.323 2.428 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.342 0.699 -1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.214 0.153 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.496 -0.403 -0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.007 0.537 -0.392 1.00 0.00 H new ATOM 557 N GLU A 37 -5.204 3.544 1.381 1.00 0.00 N ATOM 558 CA GLU A 37 -4.582 4.904 1.532 1.00 0.00 C ATOM 559 C GLU A 37 -3.251 4.895 0.782 1.00 0.00 C ATOM 560 O GLU A 37 -2.692 3.914 0.454 1.00 0.00 O ATOM 561 CB GLU A 37 -4.069 4.888 3.035 1.00 0.00 C ATOM 562 CG GLU A 37 -5.208 4.982 4.038 1.00 0.00 C ATOM 563 CD GLU A 37 -4.785 5.818 5.246 1.00 0.00 C ATOM 564 OE1 GLU A 37 -3.811 6.543 5.131 1.00 0.00 O ATOM 565 OE2 GLU A 37 -5.447 5.721 6.267 1.00 0.00 O ATOM 0 H GLU A 37 -4.687 2.772 1.801 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.258 5.702 1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.506 3.972 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.382 5.720 3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.082 5.430 3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.499 3.983 4.363 1.00 0.00 H new ATOM 572 N LYS A 38 -3.203 5.932 -0.018 1.00 0.00 N ATOM 573 CA LYS A 38 -2.240 6.319 -1.102 1.00 0.00 C ATOM 574 C LYS A 38 -1.257 7.428 -0.904 1.00 0.00 C ATOM 575 O LYS A 38 -1.908 8.520 -0.828 1.00 0.00 O ATOM 576 CB LYS A 38 -2.816 6.057 -2.384 1.00 0.00 C ATOM 577 CG LYS A 38 -3.848 7.120 -2.487 1.00 0.00 C ATOM 578 CD LYS A 38 -5.121 6.674 -1.770 1.00 0.00 C ATOM 579 CE LYS A 38 -6.267 6.627 -2.780 1.00 0.00 C ATOM 580 NZ LYS A 38 -7.366 7.412 -2.152 1.00 0.00 N ATOM 0 H LYS A 38 -3.928 6.645 0.063 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.382 5.653 -1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.079 6.127 -3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.252 5.059 -2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.476 8.045 -2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.064 7.330 -3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.975 5.692 -1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.360 7.364 -0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.969 7.059 -3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.578 5.601 -2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.190 7.426 -2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.633 6.973 -1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.044 8.386 -1.982 1.00 0.00 H new ATOM 594 N ILE A 39 -0.050 7.419 -0.798 1.00 0.00 N ATOM 595 CA ILE A 39 0.777 8.671 -0.638 1.00 0.00 C ATOM 596 C ILE A 39 1.953 8.661 -1.667 1.00 0.00 C ATOM 597 O ILE A 39 2.240 7.651 -2.278 1.00 0.00 O ATOM 598 CB ILE A 39 1.187 8.776 0.725 1.00 0.00 C ATOM 599 CG1 ILE A 39 1.031 7.392 1.344 1.00 0.00 C ATOM 600 CG2 ILE A 39 0.318 9.785 1.467 1.00 0.00 C ATOM 601 CD1 ILE A 39 1.237 7.500 2.853 1.00 0.00 C ATOM 0 H ILE A 39 0.504 6.562 -0.809 1.00 0.00 H new ATOM 0 HA ILE A 39 0.199 9.567 -0.862 1.00 0.00 H new ATOM 0 HB ILE A 39 2.219 9.120 0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.041 6.991 1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.756 6.702 0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.644 9.853 2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.410 10.762 0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.723 9.463 1.434 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.128 6.515 3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.236 7.885 3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.494 8.178 3.274 1.00 0.00 H new ATOM 613 N ASP A 40 2.613 9.771 -1.863 1.00 0.00 N ATOM 614 CA ASP A 40 3.834 9.805 -2.710 1.00 0.00 C ATOM 615 C ASP A 40 5.135 9.736 -1.869 1.00 0.00 C ATOM 616 O ASP A 40 5.120 9.923 -0.667 1.00 0.00 O ATOM 617 CB ASP A 40 3.704 11.059 -3.518 1.00 0.00 C ATOM 618 CG ASP A 40 4.187 12.243 -2.699 1.00 0.00 C ATOM 619 OD1 ASP A 40 5.233 12.122 -2.082 1.00 0.00 O ATOM 620 OD2 ASP A 40 3.505 13.252 -2.698 1.00 0.00 O ATOM 0 H ASP A 40 2.350 10.671 -1.463 1.00 0.00 H new ATOM 0 HA ASP A 40 3.912 8.933 -3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.288 10.975 -4.435 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.665 11.207 -3.814 1.00 0.00 H new ATOM 625 N ILE A 41 6.261 9.554 -2.509 1.00 0.00 N ATOM 626 CA ILE A 41 7.541 9.553 -1.745 1.00 0.00 C ATOM 627 C ILE A 41 7.939 10.970 -1.319 1.00 0.00 C ATOM 628 O ILE A 41 8.770 11.141 -0.430 1.00 0.00 O ATOM 629 CB ILE A 41 8.573 9.010 -2.750 1.00 0.00 C ATOM 630 CG1 ILE A 41 9.984 9.174 -2.179 1.00 0.00 C ATOM 631 CG2 ILE A 41 8.473 9.784 -4.071 1.00 0.00 C ATOM 632 CD1 ILE A 41 11.015 9.010 -3.297 1.00 0.00 C ATOM 0 H ILE A 41 6.349 9.408 -3.515 1.00 0.00 H new ATOM 0 HA ILE A 41 7.467 8.963 -0.831 1.00 0.00 H new ATOM 0 HB ILE A 41 8.369 7.955 -2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.088 10.156 -1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.159 8.434 -1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.206 9.394 -4.777 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.472 9.668 -4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.670 10.841 -3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.018 9.127 -2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.917 8.019 -3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.845 9.767 -4.063 1.00 0.00 H new ATOM 644 N MET A 42 7.435 11.989 -1.976 1.00 0.00 N ATOM 645 CA MET A 42 7.775 13.376 -1.532 1.00 0.00 C ATOM 646 C MET A 42 6.846 13.894 -0.432 1.00 0.00 C ATOM 647 O MET A 42 7.138 14.842 0.257 1.00 0.00 O ATOM 648 CB MET A 42 7.608 14.193 -2.793 1.00 0.00 C ATOM 649 CG MET A 42 6.180 14.767 -2.838 1.00 0.00 C ATOM 650 SD MET A 42 6.099 16.104 -4.060 1.00 0.00 S ATOM 651 CE MET A 42 4.653 16.951 -3.374 1.00 0.00 C ATOM 0 H MET A 42 6.816 11.922 -2.784 1.00 0.00 H new ATOM 0 HA MET A 42 8.773 13.427 -1.097 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.339 15.001 -2.816 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.791 13.572 -3.670 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.470 13.982 -3.096 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.897 15.142 -1.854 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.420 17.824 -3.983 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.801 16.272 -3.372 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.867 17.268 -2.353 1.00 0.00 H new ATOM 661 N VAL A 43 5.715 13.244 -0.265 1.00 0.00 N ATOM 662 CA VAL A 43 4.775 13.693 0.794 1.00 0.00 C ATOM 663 C VAL A 43 4.668 12.654 1.902 1.00 0.00 C ATOM 664 O VAL A 43 4.406 12.986 3.042 1.00 0.00 O ATOM 665 CB VAL A 43 3.416 13.815 0.064 1.00 0.00 C ATOM 666 CG1 VAL A 43 2.969 12.438 -0.420 1.00 0.00 C ATOM 667 CG2 VAL A 43 2.372 14.381 1.032 1.00 0.00 C ATOM 0 H VAL A 43 5.413 12.437 -0.810 1.00 0.00 H new ATOM 0 HA VAL A 43 5.099 14.622 1.263 1.00 0.00 H new ATOM 0 HB VAL A 43 3.521 14.481 -0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.012 12.526 -0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.713 12.034 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.862 11.769 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.413 14.469 0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.269 13.713 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.691 15.365 1.377 1.00 0.00 H new ATOM 677 N ASP A 44 4.896 11.405 1.597 1.00 0.00 N ATOM 678 CA ASP A 44 4.803 10.367 2.657 1.00 0.00 C ATOM 679 C ASP A 44 6.159 9.731 2.902 1.00 0.00 C ATOM 680 O ASP A 44 6.285 8.504 2.923 1.00 0.00 O ATOM 681 CB ASP A 44 3.798 9.340 2.127 1.00 0.00 C ATOM 682 CG ASP A 44 3.952 8.027 2.896 1.00 0.00 C ATOM 683 OD1 ASP A 44 4.452 8.069 4.008 1.00 0.00 O ATOM 684 OD2 ASP A 44 3.566 7.002 2.360 1.00 0.00 O ATOM 0 H ASP A 44 5.140 11.063 0.668 1.00 0.00 H new ATOM 0 HA ASP A 44 4.484 10.783 3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.782 9.720 2.236 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.962 9.171 1.063 1.00 0.00 H new ATOM 689 N ARG A 45 7.198 10.514 3.121 1.00 0.00 N ATOM 690 CA ARG A 45 8.515 9.823 3.266 1.00 0.00 C ATOM 691 C ARG A 45 8.552 9.046 4.592 1.00 0.00 C ATOM 692 O ARG A 45 9.377 8.198 4.795 1.00 0.00 O ATOM 693 CB ARG A 45 9.458 11.052 3.540 1.00 0.00 C ATOM 694 CG ARG A 45 10.924 10.630 3.423 1.00 0.00 C ATOM 695 CD ARG A 45 11.719 11.710 2.684 1.00 0.00 C ATOM 696 NE ARG A 45 12.963 11.024 2.232 1.00 0.00 N ATOM 697 CZ ARG A 45 14.129 11.481 2.600 1.00 0.00 C ATOM 698 NH1 ARG A 45 14.510 12.672 2.229 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.914 10.744 3.338 1.00 0.00 N ATOM 0 H ARG A 45 7.194 11.531 3.200 1.00 0.00 H new ATOM 0 HA ARG A 45 8.745 9.165 2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.244 11.850 2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.266 11.452 4.535 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.346 10.470 4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.997 9.683 2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.157 12.107 1.839 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.947 12.551 3.339 1.00 0.00 H new ATOM 0 HE ARG A 45 12.903 10.199 1.636 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.897 13.247 1.651 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.421 13.029 2.517 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.616 9.812 3.626 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.825 11.100 3.626 1.00 0.00 H new ATOM 713 N GLU A 46 7.467 9.105 5.319 1.00 0.00 N ATOM 714 CA GLU A 46 7.195 8.199 6.460 1.00 0.00 C ATOM 715 C GLU A 46 7.311 6.745 6.034 1.00 0.00 C ATOM 716 O GLU A 46 7.357 5.836 6.842 1.00 0.00 O ATOM 717 CB GLU A 46 5.894 8.585 7.107 1.00 0.00 C ATOM 718 CG GLU A 46 5.580 10.037 6.763 1.00 0.00 C ATOM 719 CD GLU A 46 6.854 10.891 6.811 1.00 0.00 C ATOM 720 OE1 GLU A 46 7.867 10.388 7.267 1.00 0.00 O ATOM 721 OE2 GLU A 46 6.791 12.036 6.390 1.00 0.00 O ATOM 0 H GLU A 46 6.724 9.784 5.153 1.00 0.00 H new ATOM 0 HA GLU A 46 7.953 8.310 7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.092 7.934 6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.959 8.460 8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.135 10.093 5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.845 10.432 7.464 1.00 0.00 H new ATOM 728 N LYS A 47 7.126 6.504 4.780 1.00 0.00 N ATOM 729 CA LYS A 47 7.084 5.110 4.269 1.00 0.00 C ATOM 730 C LYS A 47 8.272 4.333 4.841 1.00 0.00 C ATOM 731 O LYS A 47 8.141 3.394 5.565 1.00 0.00 O ATOM 732 CB LYS A 47 7.235 5.193 2.759 1.00 0.00 C ATOM 733 CG LYS A 47 8.188 4.071 2.331 1.00 0.00 C ATOM 734 CD LYS A 47 7.666 2.747 2.881 1.00 0.00 C ATOM 735 CE LYS A 47 8.841 1.797 3.123 1.00 0.00 C ATOM 736 NZ LYS A 47 8.331 0.792 4.095 1.00 0.00 N ATOM 0 H LYS A 47 6.999 7.224 4.069 1.00 0.00 H new ATOM 0 HA LYS A 47 6.157 4.612 4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.267 5.082 2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.631 6.165 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.256 4.028 1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.193 4.266 2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.123 2.916 3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.962 2.301 2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.162 1.322 2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.704 2.330 3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.955 -0.040 4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.312 1.209 5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.369 0.504 3.824 1.00 0.00 H new ATOM 750 N ALA A 48 9.420 4.758 4.512 1.00 0.00 N ATOM 751 CA ALA A 48 10.674 4.262 5.039 1.00 0.00 C ATOM 752 C ALA A 48 10.706 4.223 6.544 1.00 0.00 C ATOM 753 O ALA A 48 11.746 3.979 7.148 1.00 0.00 O ATOM 754 CB ALA A 48 11.832 4.777 4.268 1.00 0.00 C ATOM 0 H ALA A 48 9.547 5.505 3.829 1.00 0.00 H new ATOM 0 HA ALA A 48 10.777 3.193 4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.756 4.384 4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.747 4.461 3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.846 5.866 4.316 1.00 0.00 H new ATOM 760 N ILE A 49 9.763 4.873 7.187 1.00 0.00 N ATOM 761 CA ILE A 49 9.907 5.074 8.635 1.00 0.00 C ATOM 762 C ILE A 49 10.636 3.828 9.095 1.00 0.00 C ATOM 763 O ILE A 49 11.531 3.862 9.913 1.00 0.00 O ATOM 764 CB ILE A 49 8.468 5.100 9.172 1.00 0.00 C ATOM 765 CG1 ILE A 49 7.601 4.082 8.405 1.00 0.00 C ATOM 766 CG2 ILE A 49 7.882 6.499 8.999 1.00 0.00 C ATOM 767 CD1 ILE A 49 6.123 4.446 8.565 1.00 0.00 C ATOM 0 H ILE A 49 8.919 5.261 6.766 1.00 0.00 H new ATOM 0 HA ILE A 49 10.435 5.973 8.952 1.00 0.00 H new ATOM 0 HB ILE A 49 8.478 4.837 10.230 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.873 4.079 7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.782 3.076 8.784 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.861 6.516 9.380 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.487 7.218 9.551 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.879 6.764 7.942 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.510 3.726 8.023 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.856 4.427 9.622 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.949 5.445 8.165 1.00 0.00 H new ATOM 779 N GLU A 50 10.289 2.726 8.487 1.00 0.00 N ATOM 780 CA GLU A 50 10.967 1.443 8.782 1.00 0.00 C ATOM 781 C GLU A 50 12.480 1.603 8.582 1.00 0.00 C ATOM 782 O GLU A 50 13.265 1.244 9.436 1.00 0.00 O ATOM 783 CB GLU A 50 10.376 0.481 7.752 1.00 0.00 C ATOM 784 CG GLU A 50 9.345 -0.418 8.433 1.00 0.00 C ATOM 785 CD GLU A 50 9.573 -1.869 8.009 1.00 0.00 C ATOM 786 OE1 GLU A 50 10.451 -2.098 7.193 1.00 0.00 O ATOM 787 OE2 GLU A 50 8.864 -2.729 8.508 1.00 0.00 O ATOM 0 H GLU A 50 9.550 2.666 7.786 1.00 0.00 H new ATOM 0 HA GLU A 50 10.823 1.095 9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.909 1.040 6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.166 -0.124 7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.427 -0.327 9.516 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.337 -0.103 8.162 1.00 0.00 H new ATOM 794 N TYR A 51 12.900 2.152 7.466 1.00 0.00 N ATOM 795 CA TYR A 51 14.372 2.342 7.244 1.00 0.00 C ATOM 796 C TYR A 51 14.678 3.802 6.932 1.00 0.00 C ATOM 797 O TYR A 51 15.752 4.305 7.202 1.00 0.00 O ATOM 798 CB TYR A 51 14.739 1.475 6.037 1.00 0.00 C ATOM 799 CG TYR A 51 13.716 1.621 4.933 1.00 0.00 C ATOM 800 CD1 TYR A 51 12.392 1.241 5.146 1.00 0.00 C ATOM 801 CD2 TYR A 51 14.108 2.115 3.683 1.00 0.00 C ATOM 802 CE1 TYR A 51 11.455 1.353 4.115 1.00 0.00 C ATOM 803 CE2 TYR A 51 13.170 2.231 2.651 1.00 0.00 C ATOM 804 CZ TYR A 51 11.843 1.849 2.867 1.00 0.00 C ATOM 805 OH TYR A 51 10.919 1.957 1.847 1.00 0.00 O ATOM 0 H TYR A 51 12.298 2.473 6.708 1.00 0.00 H new ATOM 0 HA TYR A 51 14.940 2.064 8.132 1.00 0.00 H new ATOM 0 HB2 TYR A 51 15.723 1.761 5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 51 14.804 0.430 6.342 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.089 0.859 6.110 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.134 2.407 3.515 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.430 1.056 4.283 1.00 0.00 H new ATOM 0 HE2 TYR A 51 13.471 2.616 1.688 1.00 0.00 H new ATOM 0 HH TYR A 51 11.355 2.321 1.048 1.00 0.00 H new ATOM 815 N GLY A 52 13.733 4.471 6.367 1.00 0.00 N ATOM 816 CA GLY A 52 13.916 5.900 6.020 1.00 0.00 C ATOM 817 C GLY A 52 15.310 6.187 5.425 1.00 0.00 C ATOM 818 O GLY A 52 15.738 7.293 5.325 1.00 0.00 O ATOM 0 H GLY A 52 12.821 4.085 6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.150 6.198 5.304 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.773 6.509 6.913 1.00 0.00 H new ATOM 822 N LEU A 53 16.025 5.223 5.085 1.00 0.00 N ATOM 823 CA LEU A 53 17.379 5.269 4.477 1.00 0.00 C ATOM 824 C LEU A 53 17.112 5.462 3.011 1.00 0.00 C ATOM 825 O LEU A 53 17.533 6.427 2.362 1.00 0.00 O ATOM 826 CB LEU A 53 18.196 4.092 4.889 1.00 0.00 C ATOM 827 CG LEU A 53 18.424 4.106 6.403 1.00 0.00 C ATOM 828 CD1 LEU A 53 18.441 2.666 6.916 1.00 0.00 C ATOM 829 CD2 LEU A 53 19.764 4.776 6.716 1.00 0.00 C ATOM 0 H LEU A 53 15.703 4.263 5.211 1.00 0.00 H new ATOM 0 HA LEU A 53 18.017 6.084 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 53 17.691 3.171 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.154 4.107 4.370 1.00 0.00 H new ATOM 0 HG LEU A 53 17.624 4.663 6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 53 18.603 2.666 7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 53 17.487 2.189 6.692 1.00 0.00 H new ATOM 0 HD13 LEU A 53 19.245 2.115 6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 53 19.923 4.784 7.794 1.00 0.00 H new ATOM 0 HD22 LEU A 53 20.569 4.221 6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 53 19.755 5.800 6.343 1.00 0.00 H new ATOM 841 N MET A 54 16.690 4.398 2.400 1.00 0.00 N ATOM 842 CA MET A 54 16.413 4.385 0.983 1.00 0.00 C ATOM 843 C MET A 54 14.879 4.444 0.820 1.00 0.00 C ATOM 844 O MET A 54 14.267 3.463 0.340 1.00 0.00 O ATOM 845 CB MET A 54 16.972 3.097 0.463 1.00 0.00 C ATOM 846 CG MET A 54 18.496 3.225 0.415 1.00 0.00 C ATOM 847 SD MET A 54 19.182 1.819 -0.493 1.00 0.00 S ATOM 848 CE MET A 54 19.843 0.927 0.936 1.00 0.00 C ATOM 0 H MET A 54 16.525 3.506 2.866 1.00 0.00 H new ATOM 0 HA MET A 54 16.854 5.221 0.440 1.00 0.00 H new ATOM 0 HB2 MET A 54 16.680 2.268 1.107 1.00 0.00 H new ATOM 0 HB3 MET A 54 16.576 2.884 -0.530 1.00 0.00 H new ATOM 0 HG2 MET A 54 18.779 4.159 -0.069 1.00 0.00 H new ATOM 0 HG3 MET A 54 18.903 3.254 1.426 1.00 0.00 H new ATOM 0 HE1 MET A 54 20.321 0.007 0.601 1.00 0.00 H new ATOM 0 HE2 MET A 54 20.576 1.551 1.448 1.00 0.00 H new ATOM 0 HE3 MET A 54 19.031 0.685 1.621 1.00 0.00 H new ATOM 858 N ALA A 55 14.214 5.530 1.129 1.00 0.00 N ATOM 859 CA ALA A 55 12.747 5.400 1.013 1.00 0.00 C ATOM 860 C ALA A 55 12.264 6.277 -0.104 1.00 0.00 C ATOM 861 O ALA A 55 12.311 7.466 -0.216 1.00 0.00 O ATOM 862 CB ALA A 55 12.338 6.273 2.341 1.00 0.00 C ATOM 0 H ALA A 55 14.591 6.428 1.432 1.00 0.00 H new ATOM 0 HA ALA A 55 12.389 4.378 0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.253 6.300 2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.771 5.811 3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.718 7.289 2.239 1.00 0.00 H new ATOM 868 N VAL A 56 11.697 5.505 -1.056 1.00 0.00 N ATOM 869 CA VAL A 56 11.213 6.091 -2.340 1.00 0.00 C ATOM 870 C VAL A 56 10.074 5.279 -2.953 1.00 0.00 C ATOM 871 O VAL A 56 8.918 5.729 -2.849 1.00 0.00 O ATOM 872 CB VAL A 56 12.392 6.098 -3.313 1.00 0.00 C ATOM 873 CG1 VAL A 56 11.871 5.860 -4.738 1.00 0.00 C ATOM 874 CG2 VAL A 56 13.082 7.460 -3.254 1.00 0.00 C ATOM 0 H VAL A 56 11.562 4.498 -0.971 1.00 0.00 H new ATOM 0 HA VAL A 56 10.832 7.094 -2.147 1.00 0.00 H new ATOM 0 HB VAL A 56 13.098 5.313 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.708 5.864 -5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.364 4.896 -4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.171 6.651 -5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 56 13.924 7.472 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.373 8.240 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.442 7.642 -2.241 1.00 0.00 H new ATOM 884 N PRO A 57 10.290 4.017 -3.285 1.00 0.00 N ATOM 885 CA PRO A 57 9.125 3.283 -3.706 1.00 0.00 C ATOM 886 C PRO A 57 8.880 2.104 -2.810 1.00 0.00 C ATOM 887 O PRO A 57 9.429 1.048 -2.787 1.00 0.00 O ATOM 888 CB PRO A 57 9.837 2.549 -4.998 1.00 0.00 C ATOM 889 CG PRO A 57 11.340 2.514 -4.704 1.00 0.00 C ATOM 890 CD PRO A 57 11.569 3.344 -3.467 1.00 0.00 C ATOM 0 HA PRO A 57 8.222 3.887 -3.794 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.445 1.541 -5.136 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.634 3.099 -5.917 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.678 1.490 -4.549 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.907 2.913 -5.546 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.826 2.725 -2.607 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.384 4.055 -3.603 1.00 0.00 H new ATOM 898 N ALA A 58 7.839 2.347 -2.009 1.00 0.00 N ATOM 899 CA ALA A 58 7.430 1.385 -0.962 1.00 0.00 C ATOM 900 C ALA A 58 5.988 1.615 -0.536 1.00 0.00 C ATOM 901 O ALA A 58 5.304 2.482 -1.047 1.00 0.00 O ATOM 902 CB ALA A 58 8.333 1.640 0.277 1.00 0.00 C ATOM 0 H ALA A 58 7.265 3.189 -2.058 1.00 0.00 H new ATOM 0 HA ALA A 58 7.525 0.371 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.061 0.948 1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.377 1.487 0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.195 2.664 0.623 1.00 0.00 H new ATOM 908 N ILE A 59 5.491 0.791 0.327 1.00 0.00 N ATOM 909 CA ILE A 59 4.088 0.944 0.725 1.00 0.00 C ATOM 910 C ILE A 59 3.884 0.485 2.133 1.00 0.00 C ATOM 911 O ILE A 59 4.562 -0.473 2.624 1.00 0.00 O ATOM 912 CB ILE A 59 3.315 -0.050 -0.239 1.00 0.00 C ATOM 913 CG1 ILE A 59 3.145 0.627 -1.606 1.00 0.00 C ATOM 914 CG2 ILE A 59 1.935 -0.381 0.335 1.00 0.00 C ATOM 915 CD1 ILE A 59 3.966 -0.123 -2.658 1.00 0.00 C ATOM 0 H ILE A 59 5.996 0.023 0.770 1.00 0.00 H new ATOM 0 HA ILE A 59 3.756 1.980 0.663 1.00 0.00 H new ATOM 0 HB ILE A 59 3.884 -0.974 -0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.093 0.636 -1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.469 1.666 -1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.416 -1.064 -0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.050 -0.851 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.355 0.536 0.440 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.843 0.360 -3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.019 -0.109 -2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.621 -1.155 -2.721 1.00 0.00 H new ATOM 927 N ALA A 60 2.838 0.854 2.832 1.00 0.00 N ATOM 928 CA ALA A 60 2.904 0.337 4.166 1.00 0.00 C ATOM 929 C ALA A 60 1.884 -0.691 4.160 1.00 0.00 C ATOM 930 O ALA A 60 0.957 -0.790 3.302 1.00 0.00 O ATOM 931 CB ALA A 60 2.019 1.579 4.968 1.00 0.00 C ATOM 0 H ALA A 60 2.041 1.426 2.553 1.00 0.00 H new ATOM 0 HA ALA A 60 3.889 0.047 4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.960 1.354 6.033 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.524 2.535 4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.013 1.635 4.553 1.00 0.00 H new ATOM 937 N ILE A 61 2.076 -1.700 5.012 1.00 0.00 N ATOM 938 CA ILE A 61 1.302 -2.866 4.667 1.00 0.00 C ATOM 939 C ILE A 61 0.273 -2.848 5.676 1.00 0.00 C ATOM 940 O ILE A 61 0.140 -3.443 6.698 1.00 0.00 O ATOM 941 CB ILE A 61 2.348 -4.035 5.252 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.832 -3.640 5.055 1.00 0.00 C ATOM 943 CG2 ILE A 61 2.121 -5.406 4.605 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.753 -4.856 5.229 1.00 0.00 C ATOM 0 H ILE A 61 2.677 -1.735 5.835 1.00 0.00 H new ATOM 0 HA ILE A 61 0.946 -2.964 3.642 1.00 0.00 H new ATOM 0 HB ILE A 61 2.128 -4.105 6.317 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.970 -3.214 4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.105 -2.867 5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.826 -6.126 5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.102 -5.739 4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.273 -5.330 3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.790 -4.551 5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.631 -5.265 6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.494 -5.617 4.493 1.00 0.00 H new ATOM 956 N ASN A 62 -0.764 -2.132 5.147 1.00 0.00 N ATOM 957 CA ASN A 62 -2.032 -1.933 5.869 1.00 0.00 C ATOM 958 C ASN A 62 -2.436 -3.260 6.433 1.00 0.00 C ATOM 959 O ASN A 62 -3.181 -3.996 5.835 1.00 0.00 O ATOM 960 CB ASN A 62 -3.037 -1.401 4.854 1.00 0.00 C ATOM 961 CG ASN A 62 -3.182 0.122 5.003 1.00 0.00 C ATOM 962 OD1 ASN A 62 -4.158 0.694 4.556 1.00 0.00 O ATOM 963 ND2 ASN A 62 -2.251 0.802 5.611 1.00 0.00 N ATOM 0 H ASN A 62 -0.734 -1.691 4.228 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.960 -1.223 6.693 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.710 -1.646 3.844 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.004 -1.882 5.001 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.341 1.813 5.712 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.432 0.323 5.986 1.00 0.00 H new ATOM 970 N GLY A 63 -1.898 -3.581 7.569 1.00 0.00 N ATOM 971 CA GLY A 63 -2.175 -4.891 8.208 1.00 0.00 C ATOM 972 C GLY A 63 -1.057 -5.120 9.220 1.00 0.00 C ATOM 973 O GLY A 63 -1.289 -5.469 10.361 1.00 0.00 O ATOM 0 H GLY A 63 -1.264 -2.978 8.093 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.148 -4.886 8.699 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.197 -5.689 7.466 1.00 0.00 H new ATOM 977 N VAL A 64 0.165 -4.900 8.799 1.00 0.00 N ATOM 978 CA VAL A 64 1.319 -5.080 9.716 1.00 0.00 C ATOM 979 C VAL A 64 2.176 -3.794 9.793 1.00 0.00 C ATOM 980 O VAL A 64 2.314 -3.219 10.855 1.00 0.00 O ATOM 981 CB VAL A 64 2.094 -6.253 9.126 1.00 0.00 C ATOM 982 CG1 VAL A 64 1.131 -7.420 8.930 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.681 -5.869 7.771 1.00 0.00 C ATOM 0 H VAL A 64 0.407 -4.602 7.854 1.00 0.00 H new ATOM 0 HA VAL A 64 1.012 -5.277 10.743 1.00 0.00 H new ATOM 0 HB VAL A 64 2.904 -6.528 9.802 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.669 -8.269 8.508 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.702 -7.703 9.891 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.332 -7.123 8.250 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.232 -6.715 7.360 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.875 -5.595 7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.356 -5.022 7.894 1.00 0.00 H new ATOM 993 N VAL A 65 2.749 -3.318 8.702 1.00 0.00 N ATOM 994 CA VAL A 65 3.581 -2.066 8.810 1.00 0.00 C ATOM 995 C VAL A 65 3.865 -1.405 7.451 1.00 0.00 C ATOM 996 O VAL A 65 3.012 -0.765 6.866 1.00 0.00 O ATOM 997 CB VAL A 65 4.897 -2.524 9.446 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.861 -1.338 9.525 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.629 -3.054 10.856 1.00 0.00 C ATOM 0 H VAL A 65 2.680 -3.727 7.770 1.00 0.00 H new ATOM 0 HA VAL A 65 3.051 -1.312 9.392 1.00 0.00 H new ATOM 0 HB VAL A 65 5.337 -3.315 8.839 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.799 -1.661 9.977 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.054 -0.958 8.522 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.418 -0.549 10.132 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.567 -3.379 11.307 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.189 -2.264 11.464 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.940 -3.897 10.803 1.00 0.00 H new ATOM 1009 N ARG A 66 5.064 -1.564 6.949 1.00 0.00 N ATOM 1010 CA ARG A 66 5.483 -0.876 5.691 1.00 0.00 C ATOM 1011 C ARG A 66 6.724 -1.570 5.107 1.00 0.00 C ATOM 1012 O ARG A 66 7.467 -2.228 5.800 1.00 0.00 O ATOM 1013 CB ARG A 66 5.876 0.544 6.128 1.00 0.00 C ATOM 1014 CG ARG A 66 5.647 1.540 4.987 1.00 0.00 C ATOM 1015 CD ARG A 66 5.400 2.939 5.567 1.00 0.00 C ATOM 1016 NE ARG A 66 4.855 2.718 6.937 1.00 0.00 N ATOM 1017 CZ ARG A 66 3.639 3.097 7.226 1.00 0.00 C ATOM 1018 NH1 ARG A 66 3.144 4.175 6.680 1.00 0.00 N ATOM 1019 NH2 ARG A 66 2.920 2.399 8.061 1.00 0.00 N ATOM 0 H ARG A 66 5.784 -2.154 7.367 1.00 0.00 H new ATOM 0 HA ARG A 66 4.694 -0.888 4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.290 0.838 6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.924 0.561 6.429 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.514 1.557 4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.793 1.229 4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.323 3.517 5.602 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.696 3.499 4.951 1.00 0.00 H new ATOM 0 HE ARG A 66 5.432 2.271 7.649 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.707 4.721 6.028 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.194 4.471 6.906 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.307 1.558 8.488 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.970 2.695 8.287 1.00 0.00 H new ATOM 1033 N PHE A 67 6.880 -1.534 3.791 1.00 0.00 N ATOM 1034 CA PHE A 67 8.031 -2.268 3.182 1.00 0.00 C ATOM 1035 C PHE A 67 8.566 -1.521 1.945 1.00 0.00 C ATOM 1036 O PHE A 67 8.136 -0.439 1.613 1.00 0.00 O ATOM 1037 CB PHE A 67 7.452 -3.608 2.729 1.00 0.00 C ATOM 1038 CG PHE A 67 7.024 -3.536 1.272 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.599 -2.323 0.709 1.00 0.00 C ATOM 1040 CD2 PHE A 67 7.052 -4.693 0.485 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.204 -2.273 -0.634 1.00 0.00 C ATOM 1042 CE2 PHE A 67 6.658 -4.640 -0.857 1.00 0.00 C ATOM 1043 CZ PHE A 67 6.235 -3.431 -1.416 1.00 0.00 C ATOM 0 H PHE A 67 6.273 -1.040 3.137 1.00 0.00 H new ATOM 0 HA PHE A 67 8.853 -2.370 3.891 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.196 -4.395 2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.598 -3.872 3.353 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.576 -1.427 1.312 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.378 -5.629 0.914 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.875 -1.339 -1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.681 -5.535 -1.461 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.932 -3.392 -2.452 1.00 0.00 H new ATOM 1053 N VAL A 68 9.568 -2.080 1.316 1.00 0.00 N ATOM 1054 CA VAL A 68 10.164 -1.543 0.072 1.00 0.00 C ATOM 1055 C VAL A 68 9.393 -2.047 -1.145 1.00 0.00 C ATOM 1056 O VAL A 68 9.391 -3.262 -1.335 1.00 0.00 O ATOM 1057 CB VAL A 68 11.621 -1.871 0.103 1.00 0.00 C ATOM 1058 CG1 VAL A 68 12.341 -1.103 -1.003 1.00 0.00 C ATOM 1059 CG2 VAL A 68 12.194 -1.457 1.466 1.00 0.00 C ATOM 0 H VAL A 68 10.016 -2.937 1.642 1.00 0.00 H new ATOM 0 HA VAL A 68 10.084 -0.459 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 68 11.762 -2.941 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.404 -1.343 -0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.926 -1.385 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.207 -0.032 -0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.258 -1.692 1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.054 -0.386 1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.677 -1.999 2.258 1.00 0.00 H new ATOM 1069 N GLY A 69 8.829 -1.253 -1.974 1.00 0.00 N ATOM 1070 CA GLY A 69 8.156 -1.850 -3.170 1.00 0.00 C ATOM 1071 C GLY A 69 7.953 -0.794 -4.259 1.00 0.00 C ATOM 1072 O GLY A 69 7.084 0.043 -4.158 1.00 0.00 O ATOM 0 H GLY A 69 8.793 -0.236 -1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.758 -2.671 -3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.193 -2.270 -2.880 1.00 0.00 H new ATOM 1076 N ALA A 70 8.714 -0.842 -5.316 1.00 0.00 N ATOM 1077 CA ALA A 70 8.513 0.150 -6.405 1.00 0.00 C ATOM 1078 C ALA A 70 7.510 -0.415 -7.405 1.00 0.00 C ATOM 1079 O ALA A 70 6.322 -0.136 -7.298 1.00 0.00 O ATOM 1080 CB ALA A 70 9.882 0.343 -7.045 1.00 0.00 C ATOM 0 H ALA A 70 9.460 -1.520 -5.472 1.00 0.00 H new ATOM 0 HA ALA A 70 8.120 1.101 -6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.805 1.065 -7.858 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.584 0.712 -6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.238 -0.610 -7.438 1.00 0.00 H new ATOM 1086 N PRO A 71 7.965 -1.285 -8.280 1.00 0.00 N ATOM 1087 CA PRO A 71 6.993 -1.876 -9.212 1.00 0.00 C ATOM 1088 C PRO A 71 6.399 -3.127 -8.580 1.00 0.00 C ATOM 1089 O PRO A 71 5.758 -3.933 -9.218 1.00 0.00 O ATOM 1090 CB PRO A 71 7.927 -2.364 -10.354 1.00 0.00 C ATOM 1091 CG PRO A 71 9.279 -2.575 -9.718 1.00 0.00 C ATOM 1092 CD PRO A 71 9.353 -1.683 -8.515 1.00 0.00 C ATOM 0 HA PRO A 71 6.189 -1.199 -9.502 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.554 -3.288 -10.796 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.983 -1.627 -11.155 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.409 -3.618 -9.431 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.076 -2.336 -10.422 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.768 -2.208 -7.655 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.990 -0.818 -8.699 1.00 0.00 H new ATOM 1100 N SER A 72 6.493 -3.219 -7.271 1.00 0.00 N ATOM 1101 CA SER A 72 5.862 -4.366 -6.554 1.00 0.00 C ATOM 1102 C SER A 72 4.521 -3.982 -5.910 1.00 0.00 C ATOM 1103 O SER A 72 4.367 -4.033 -4.712 1.00 0.00 O ATOM 1104 CB SER A 72 6.874 -4.739 -5.472 1.00 0.00 C ATOM 1105 OG SER A 72 7.957 -3.817 -5.501 1.00 0.00 O ATOM 0 H SER A 72 6.979 -2.549 -6.674 1.00 0.00 H new ATOM 0 HA SER A 72 5.638 -5.184 -7.238 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.397 -4.726 -4.492 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.240 -5.753 -5.635 1.00 0.00 H new ATOM 0 HG SER A 72 8.776 -4.264 -5.201 1.00 0.00 H new ATOM 1111 N ARG A 73 3.551 -3.629 -6.700 1.00 0.00 N ATOM 1112 CA ARG A 73 2.212 -3.295 -6.147 1.00 0.00 C ATOM 1113 C ARG A 73 1.542 -4.562 -5.617 1.00 0.00 C ATOM 1114 O ARG A 73 0.800 -4.543 -4.661 1.00 0.00 O ATOM 1115 CB ARG A 73 1.430 -2.652 -7.281 1.00 0.00 C ATOM 1116 CG ARG A 73 1.648 -3.455 -8.557 1.00 0.00 C ATOM 1117 CD ARG A 73 2.636 -2.719 -9.462 1.00 0.00 C ATOM 1118 NE ARG A 73 1.789 -1.855 -10.330 1.00 0.00 N ATOM 1119 CZ ARG A 73 2.325 -1.202 -11.324 1.00 0.00 C ATOM 1120 NH1 ARG A 73 2.857 -1.853 -12.322 1.00 0.00 N ATOM 1121 NH2 ARG A 73 2.330 0.103 -11.321 1.00 0.00 N ATOM 0 H ARG A 73 3.628 -3.557 -7.714 1.00 0.00 H new ATOM 0 HA ARG A 73 2.269 -2.606 -5.304 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.369 -2.619 -7.034 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.756 -1.622 -7.425 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.030 -4.446 -8.314 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.700 -3.597 -9.076 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.339 -2.125 -8.879 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.225 -3.418 -10.055 1.00 0.00 H new ATOM 0 HE ARG A 73 0.789 -1.774 -10.147 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.854 -2.873 -12.325 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.276 -1.342 -13.099 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.915 0.613 -10.541 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.749 0.613 -12.098 1.00 0.00 H new ATOM 1135 N GLU A 74 1.763 -5.665 -6.280 1.00 0.00 N ATOM 1136 CA GLU A 74 1.161 -6.949 -5.842 1.00 0.00 C ATOM 1137 C GLU A 74 1.379 -7.106 -4.343 1.00 0.00 C ATOM 1138 O GLU A 74 0.514 -7.541 -3.606 1.00 0.00 O ATOM 1139 CB GLU A 74 1.835 -8.040 -6.648 1.00 0.00 C ATOM 1140 CG GLU A 74 0.777 -8.851 -7.402 1.00 0.00 C ATOM 1141 CD GLU A 74 -0.064 -7.916 -8.272 1.00 0.00 C ATOM 1142 OE1 GLU A 74 0.404 -6.827 -8.562 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -1.162 -8.304 -8.636 1.00 0.00 O ATOM 0 H GLU A 74 2.343 -5.728 -7.117 1.00 0.00 H new ATOM 0 HA GLU A 74 0.085 -6.994 -6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.542 -7.602 -7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.406 -8.693 -5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.258 -9.607 -8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.137 -9.379 -6.695 1.00 0.00 H new ATOM 1150 N GLU A 75 2.573 -6.806 -3.893 1.00 0.00 N ATOM 1151 CA GLU A 75 2.866 -6.996 -2.452 1.00 0.00 C ATOM 1152 C GLU A 75 1.750 -6.364 -1.626 1.00 0.00 C ATOM 1153 O GLU A 75 1.447 -6.810 -0.535 1.00 0.00 O ATOM 1154 CB GLU A 75 4.159 -6.180 -2.248 1.00 0.00 C ATOM 1155 CG GLU A 75 5.284 -7.115 -1.811 1.00 0.00 C ATOM 1156 CD GLU A 75 5.559 -6.926 -0.318 1.00 0.00 C ATOM 1157 OE1 GLU A 75 4.876 -6.120 0.293 1.00 0.00 O ATOM 1158 OE2 GLU A 75 6.447 -7.591 0.190 1.00 0.00 O ATOM 0 H GLU A 75 3.342 -6.444 -4.457 1.00 0.00 H new ATOM 0 HA GLU A 75 2.955 -8.043 -2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.432 -5.672 -3.173 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.000 -5.408 -1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.008 -8.150 -2.012 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.186 -6.908 -2.386 1.00 0.00 H new ATOM 1165 N LEU A 76 1.081 -5.382 -2.171 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.067 -4.781 -1.444 1.00 0.00 C ATOM 1167 C LEU A 76 -1.242 -5.749 -1.454 1.00 0.00 C ATOM 1168 O LEU A 76 -1.931 -5.929 -0.472 1.00 0.00 O ATOM 1169 CB LEU A 76 -0.410 -3.509 -2.223 1.00 0.00 C ATOM 1170 CG LEU A 76 0.879 -2.792 -2.633 1.00 0.00 C ATOM 1171 CD1 LEU A 76 0.541 -1.636 -3.574 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.577 -2.246 -1.388 1.00 0.00 C ATOM 0 H LEU A 76 1.281 -4.974 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 76 0.165 -4.564 -0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.995 -3.759 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.025 -2.850 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 76 1.539 -3.495 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.458 -1.125 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.043 -2.024 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.119 -0.934 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.495 -1.736 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.917 -1.543 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.818 -3.069 -0.715 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.466 -6.388 -2.575 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.586 -7.363 -2.651 1.00 0.00 C ATOM 1186 C PHE A 77 -2.419 -8.450 -1.580 1.00 0.00 C ATOM 1187 O PHE A 77 -3.359 -8.906 -0.980 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.492 -7.964 -4.057 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.354 -9.466 -3.958 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -3.339 -10.218 -3.311 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -1.238 -10.103 -4.511 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -3.210 -11.606 -3.216 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -1.108 -11.493 -4.416 1.00 0.00 C ATOM 1194 CZ PHE A 77 -2.095 -12.244 -3.768 1.00 0.00 C ATOM 0 H PHE A 77 -0.924 -6.275 -3.432 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.555 -6.896 -2.474 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.381 -7.708 -4.633 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.637 -7.544 -4.587 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.200 -9.726 -2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.477 -9.522 -5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.972 -12.186 -2.716 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.247 -11.986 -4.842 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.995 -13.317 -3.694 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.206 -8.849 -1.347 1.00 0.00 N ATOM 1205 CA GLU A 78 -0.884 -9.859 -0.307 1.00 0.00 C ATOM 1206 C GLU A 78 -0.989 -9.241 1.083 1.00 0.00 C ATOM 1207 O GLU A 78 -1.200 -9.918 2.073 1.00 0.00 O ATOM 1208 CB GLU A 78 0.475 -10.422 -0.641 1.00 0.00 C ATOM 1209 CG GLU A 78 0.758 -11.634 0.251 1.00 0.00 C ATOM 1210 CD GLU A 78 2.166 -12.150 -0.040 1.00 0.00 C ATOM 1211 OE1 GLU A 78 2.541 -12.172 -1.201 1.00 0.00 O ATOM 1212 OE2 GLU A 78 2.848 -12.514 0.903 1.00 0.00 O ATOM 0 H GLU A 78 -0.392 -8.503 -1.855 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.597 -10.684 -0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.512 -10.713 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.242 -9.662 -0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.669 -11.357 1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.024 -12.418 0.064 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.683 -7.971 1.186 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.672 -7.324 2.528 1.00 0.00 C ATOM 1221 C ALA A 79 -2.101 -7.111 3.022 1.00 0.00 C ATOM 1222 O ALA A 79 -2.397 -7.297 4.179 1.00 0.00 O ATOM 1223 CB ALA A 79 0.015 -5.970 2.307 1.00 0.00 C ATOM 0 H ALA A 79 -0.443 -7.361 0.404 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.160 -7.932 3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.063 -5.428 3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.025 -6.132 1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.554 -5.387 1.583 1.00 0.00 H new ATOM 1229 N ILE A 80 -3.005 -6.776 2.148 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.427 -6.628 2.553 1.00 0.00 C ATOM 1231 C ILE A 80 -4.940 -7.962 3.106 1.00 0.00 C ATOM 1232 O ILE A 80 -5.680 -8.026 4.051 1.00 0.00 O ATOM 1233 CB ILE A 80 -5.186 -6.150 1.334 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -5.159 -4.617 1.297 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.633 -6.631 1.422 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -3.709 -4.129 1.365 1.00 0.00 C ATOM 0 H ILE A 80 -2.817 -6.597 1.162 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.562 -5.899 3.352 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.725 -6.547 0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.633 -4.256 0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.729 -4.213 2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.184 -6.289 0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.653 -7.720 1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.096 -6.228 2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.690 -3.039 1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.251 -4.478 2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.153 -4.522 0.514 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.558 -9.037 2.454 1.00 0.00 N ATOM 1249 CA ASN A 81 -4.976 -10.409 2.865 1.00 0.00 C ATOM 1250 C ASN A 81 -4.259 -10.720 4.152 1.00 0.00 C ATOM 1251 O ASN A 81 -4.822 -11.377 5.065 1.00 0.00 O ATOM 1252 CB ASN A 81 -4.615 -11.349 1.764 1.00 0.00 C ATOM 1253 CG ASN A 81 -4.124 -12.654 2.378 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -4.836 -13.638 2.392 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -2.925 -12.708 2.889 1.00 0.00 N ATOM 0 H ASN A 81 -3.956 -9.014 1.631 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.049 -10.498 3.036 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.479 -11.533 1.126 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.840 -10.913 1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.585 -13.577 3.301 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.328 -11.881 2.877 1.00 0.00 H new ATOM 1262 N ASP A 82 -3.059 -10.230 4.358 1.00 0.00 N ATOM 1263 CA ASP A 82 -2.434 -10.664 5.607 1.00 0.00 C ATOM 1264 C ASP A 82 -2.533 -9.561 6.600 1.00 0.00 C ATOM 1265 O ASP A 82 -2.569 -9.778 7.817 1.00 0.00 O ATOM 1266 CB ASP A 82 -0.874 -10.459 5.230 1.00 0.00 C ATOM 1267 CG ASP A 82 -0.010 -10.327 6.511 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -0.482 -9.715 7.455 1.00 0.00 O ATOM 1269 OD2 ASP A 82 1.100 -10.844 6.525 1.00 0.00 O ATOM 0 H ASP A 82 -2.532 -9.597 3.756 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.821 -11.623 5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.525 -11.304 4.636 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.758 -9.567 4.614 1.00 0.00 H new ATOM 1274 N GLU A 83 -3.235 -8.521 6.184 1.00 0.00 N ATOM 1275 CA GLU A 83 -3.739 -7.474 7.115 1.00 0.00 C ATOM 1276 C GLU A 83 -5.109 -7.935 7.633 1.00 0.00 C ATOM 1277 O GLU A 83 -5.286 -7.979 8.868 1.00 0.00 O ATOM 1278 CB GLU A 83 -3.955 -6.248 6.182 1.00 0.00 C ATOM 1279 CG GLU A 83 -4.914 -5.228 6.814 1.00 0.00 C ATOM 1280 CD GLU A 83 -6.317 -5.831 6.924 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -6.934 -6.037 5.891 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -6.754 -6.069 8.038 1.00 0.00 O ATOM 0 H GLU A 83 -3.480 -8.361 5.207 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.080 -7.269 7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.997 -5.771 5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.356 -6.583 5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.554 -4.941 7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.945 -4.321 6.210 1.00 0.00 H new ATOM 1289 N MET A 84 -6.049 -8.220 6.800 1.00 0.00 N ATOM 1290 CA MET A 84 -7.362 -8.692 7.337 1.00 0.00 C ATOM 1291 C MET A 84 -7.258 -10.076 7.988 1.00 0.00 C ATOM 1292 O MET A 84 -8.063 -10.442 8.819 1.00 0.00 O ATOM 1293 CB MET A 84 -8.217 -8.822 6.064 1.00 0.00 C ATOM 1294 CG MET A 84 -9.238 -9.961 6.219 1.00 0.00 C ATOM 1295 SD MET A 84 -8.913 -11.257 4.993 1.00 0.00 S ATOM 1296 CE MET A 84 -9.143 -10.240 3.513 1.00 0.00 C ATOM 0 H MET A 84 -5.982 -8.153 5.784 1.00 0.00 H new ATOM 0 HA MET A 84 -7.753 -8.019 8.100 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.736 -7.884 5.869 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.575 -9.015 5.205 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.180 -10.378 7.225 1.00 0.00 H new ATOM 0 HG3 MET A 84 -10.249 -9.574 6.092 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.580 -10.846 2.719 1.00 0.00 H new ATOM 0 HE2 MET A 84 -9.809 -9.408 3.743 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.179 -9.852 3.184 1.00 0.00 H new ATOM 1306 N GLU A 85 -6.219 -10.813 7.690 1.00 0.00 N ATOM 1307 CA GLU A 85 -6.032 -12.140 8.345 1.00 0.00 C ATOM 1308 C GLU A 85 -6.172 -12.016 9.859 1.00 0.00 C ATOM 1309 O GLU A 85 -5.320 -11.386 10.459 1.00 0.00 O ATOM 1310 CB GLU A 85 -4.620 -12.576 7.963 1.00 0.00 C ATOM 1311 CG GLU A 85 -4.430 -14.056 8.303 1.00 0.00 C ATOM 1312 CD GLU A 85 -4.627 -14.262 9.806 1.00 0.00 C ATOM 1313 OE1 GLU A 85 -3.900 -13.647 10.568 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -5.502 -15.032 10.168 1.00 0.00 O ATOM 1315 OXT GLU A 85 -7.131 -12.549 10.393 1.00 0.00 O ATOM 0 H GLU A 85 -5.493 -10.553 7.022 1.00 0.00 H new ATOM 0 HA GLU A 85 -6.781 -12.865 8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.454 -12.413 6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.885 -11.973 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.143 -14.663 7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.433 -14.383 8.008 1.00 0.00 H new TER 1322 GLU A 85