USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 SER OG : rot 134:sc= -0.126! USER MOD Set 1.2: A 47 ASN : amide:sc= 0.247 K(o=0.2,f=1.4) USER MOD Set 1.3: A 76 HIS : no HE2:sc= 0.0756 K(o=0.2,f=1.4) USER MOD Set 2.1: A 29 GLN : amide:sc= -0.468 K(o=0.16,f=-3.7!) USER MOD Set 2.2: A 32 LYS NZ :NH3+ 167:sc= 0.629 (180deg=0.395) USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 1.01 USER MOD Set 3.2: A 49 THR OG1 : rot 84:sc= 0.76 USER MOD Set 4.1: A 4 SER OG : rot 22:sc= 1.16 USER MOD Set 4.2: A 55 LYS NZ :NH3+ 153:sc= 0.506! (180deg=-0.913!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.816 K(o=-0.82,f=-2.6) USER MOD Single : A 9 SER OG : rot -140:sc= -1.48! USER MOD Single : A 17 MET CE :methyl -147:sc= -0.546 (180deg=-3.54!) USER MOD Single : A 18 THR OG1 : rot -38:sc= 0.531 USER MOD Single : A 20 ASN : amide:sc= 0.303 K(o=0.3,f=-3.8!) USER MOD Single : A 25 THR OG1 : rot 113:sc= 1.06 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 0.417 K(o=0.42,f=-1.2) USER MOD Single : A 37 HIS : no HD1:sc= -2.37! K(o=-2.4!,f=-0.15) USER MOD Single : A 38 HIS : no HD1:sc= -2.9 K(o=-2.9,f=-0.92) USER MOD Single : A 40 LYS NZ :NH3+ -140:sc= -0.135! (180deg=-2.64!) USER MOD Single : A 42 SER OG : rot -148:sc= 1.16 USER MOD Single : A 46 LYS NZ :NH3+ -124:sc= 1.59 (180deg=-1.84!) USER MOD Single : A 52 TYR OH : rot -176:sc= -1.56! USER MOD Single : A 57 GLN : amide:sc= -0.755 K(o=-0.75,f=-12!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= 0.125! (180deg=-0.314!) USER MOD Single : A 61 THR OG1 : rot -73:sc= 1.14 USER MOD Single : A 63 GLN : amide:sc= -0.198 K(o=-0.2,f=-5.1!) USER MOD Single : A 69 MET CE :methyl -157:sc= -3.05 (180deg=-4.28!) USER MOD Single : A 77 ASN : amide:sc= 0.783 K(o=0.78,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.295 -18.039 8.449 1.00 0.00 N ATOM 2 CA MET A 1 9.905 -17.779 7.106 1.00 0.00 C ATOM 3 C MET A 1 8.858 -17.947 5.990 1.00 0.00 C ATOM 4 O MET A 1 8.422 -16.981 5.400 1.00 0.00 O ATOM 5 CB MET A 1 11.029 -18.815 6.965 1.00 0.00 C ATOM 6 CG MET A 1 11.831 -18.533 5.690 1.00 0.00 C ATOM 7 SD MET A 1 13.188 -17.397 6.069 1.00 0.00 S ATOM 8 CE MET A 1 13.717 -17.112 4.362 1.00 0.00 C ATOM 0 H1 MET A 1 10.018 -17.920 9.187 1.00 0.00 H new ATOM 0 H2 MET A 1 8.518 -17.367 8.614 1.00 0.00 H new ATOM 0 H3 MET A 1 8.925 -19.010 8.480 1.00 0.00 H new ATOM 0 HA MET A 1 10.283 -16.760 7.021 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.684 -18.776 7.835 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.608 -19.820 6.927 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.225 -19.464 5.282 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.183 -18.100 4.928 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.563 -16.425 4.353 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.014 -18.059 3.910 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.893 -16.681 3.793 1.00 0.00 H new ATOM 20 N ASP A 2 8.455 -19.161 5.695 1.00 0.00 N ATOM 21 CA ASP A 2 7.447 -19.377 4.613 1.00 0.00 C ATOM 22 C ASP A 2 6.163 -20.000 5.161 1.00 0.00 C ATOM 23 O ASP A 2 5.931 -21.186 5.016 1.00 0.00 O ATOM 24 CB ASP A 2 8.131 -20.321 3.623 1.00 0.00 C ATOM 25 CG ASP A 2 9.048 -19.515 2.713 1.00 0.00 C ATOM 26 OD1 ASP A 2 8.572 -19.051 1.691 1.00 0.00 O ATOM 27 OD2 ASP A 2 10.206 -19.371 3.057 1.00 0.00 O ATOM 0 H ASP A 2 8.782 -20.009 6.158 1.00 0.00 H new ATOM 0 HA ASP A 2 7.146 -18.438 4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.705 -21.077 4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.384 -20.849 3.031 1.00 0.00 H new ATOM 32 N PRO A 3 5.336 -19.160 5.732 1.00 0.00 N ATOM 33 CA PRO A 3 4.030 -19.632 6.245 1.00 0.00 C ATOM 34 C PRO A 3 3.110 -19.930 5.046 1.00 0.00 C ATOM 35 O PRO A 3 2.073 -20.549 5.181 1.00 0.00 O ATOM 36 CB PRO A 3 3.520 -18.451 7.068 1.00 0.00 C ATOM 37 CG PRO A 3 4.202 -17.250 6.490 1.00 0.00 C ATOM 38 CD PRO A 3 5.531 -17.717 5.956 1.00 0.00 C ATOM 0 HA PRO A 3 4.080 -20.544 6.840 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.436 -18.361 6.998 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.762 -18.572 8.124 1.00 0.00 H new ATOM 0 HG2 PRO A 3 3.600 -16.809 5.696 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.340 -16.481 7.250 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.794 -17.201 5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.336 -17.528 6.667 1.00 0.00 H new ATOM 46 N SER A 4 3.503 -19.484 3.869 1.00 0.00 N ATOM 47 CA SER A 4 2.679 -19.725 2.643 1.00 0.00 C ATOM 48 C SER A 4 3.556 -20.041 1.409 1.00 0.00 C ATOM 49 O SER A 4 3.078 -20.638 0.466 1.00 0.00 O ATOM 50 CB SER A 4 1.911 -18.421 2.425 1.00 0.00 C ATOM 51 OG SER A 4 0.712 -18.439 3.202 1.00 0.00 O ATOM 0 H SER A 4 4.364 -18.961 3.710 1.00 0.00 H new ATOM 0 HA SER A 4 2.024 -20.587 2.772 1.00 0.00 H new ATOM 0 HB2 SER A 4 2.529 -17.570 2.711 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.671 -18.300 1.369 1.00 0.00 H new ATOM 0 HG SER A 4 0.809 -19.078 3.939 1.00 0.00 H new ATOM 57 N MET A 5 4.821 -19.646 1.392 1.00 0.00 N ATOM 58 CA MET A 5 5.692 -19.930 0.201 1.00 0.00 C ATOM 59 C MET A 5 5.046 -19.369 -1.082 1.00 0.00 C ATOM 60 O MET A 5 4.809 -20.084 -2.040 1.00 0.00 O ATOM 61 CB MET A 5 5.807 -21.462 0.144 1.00 0.00 C ATOM 62 CG MET A 5 7.277 -21.876 0.284 1.00 0.00 C ATOM 63 SD MET A 5 7.533 -23.471 -0.535 1.00 0.00 S ATOM 64 CE MET A 5 8.559 -24.230 0.748 1.00 0.00 C ATOM 0 H MET A 5 5.280 -19.142 2.151 1.00 0.00 H new ATOM 0 HA MET A 5 6.672 -19.459 0.282 1.00 0.00 H new ATOM 0 HB2 MET A 5 5.215 -21.911 0.942 1.00 0.00 H new ATOM 0 HB3 MET A 5 5.403 -21.832 -0.799 1.00 0.00 H new ATOM 0 HG2 MET A 5 7.923 -21.119 -0.160 1.00 0.00 H new ATOM 0 HG3 MET A 5 7.547 -21.948 1.337 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.836 -25.239 0.443 1.00 0.00 H new ATOM 0 HE2 MET A 5 9.460 -23.634 0.893 1.00 0.00 H new ATOM 0 HE3 MET A 5 7.999 -24.274 1.682 1.00 0.00 H new ATOM 74 N GLY A 6 4.758 -18.088 -1.103 1.00 0.00 N ATOM 75 CA GLY A 6 4.124 -17.473 -2.317 1.00 0.00 C ATOM 76 C GLY A 6 3.821 -15.988 -2.070 1.00 0.00 C ATOM 77 O GLY A 6 4.212 -15.138 -2.846 1.00 0.00 O ATOM 0 H GLY A 6 4.934 -17.442 -0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.789 -17.577 -3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.203 -18.003 -2.562 1.00 0.00 H new ATOM 81 N VAL A 7 3.124 -15.681 -0.993 1.00 0.00 N ATOM 82 CA VAL A 7 2.774 -14.254 -0.664 1.00 0.00 C ATOM 83 C VAL A 7 1.771 -13.680 -1.688 1.00 0.00 C ATOM 84 O VAL A 7 1.547 -14.242 -2.742 1.00 0.00 O ATOM 85 CB VAL A 7 4.117 -13.491 -0.674 1.00 0.00 C ATOM 86 CG1 VAL A 7 4.059 -12.286 -1.615 1.00 0.00 C ATOM 87 CG2 VAL A 7 4.431 -13.006 0.743 1.00 0.00 C ATOM 0 H VAL A 7 2.779 -16.367 -0.321 1.00 0.00 H new ATOM 0 HA VAL A 7 2.281 -14.165 0.304 1.00 0.00 H new ATOM 0 HB VAL A 7 4.895 -14.168 -1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.018 -11.768 -1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.844 -12.626 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.274 -11.605 -1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.378 -12.467 0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.636 -12.343 1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.502 -13.863 1.413 1.00 0.00 H new ATOM 97 N ASN A 8 1.162 -12.562 -1.375 1.00 0.00 N ATOM 98 CA ASN A 8 0.174 -11.947 -2.318 1.00 0.00 C ATOM 99 C ASN A 8 0.715 -10.623 -2.883 1.00 0.00 C ATOM 100 O ASN A 8 1.807 -10.198 -2.556 1.00 0.00 O ATOM 101 CB ASN A 8 -1.071 -11.699 -1.464 1.00 0.00 C ATOM 102 CG ASN A 8 -1.996 -12.912 -1.544 1.00 0.00 C ATOM 103 OD1 ASN A 8 -1.582 -14.020 -1.287 1.00 0.00 O ATOM 104 ND2 ASN A 8 -3.240 -12.749 -1.888 1.00 0.00 N ATOM 0 H ASN A 8 1.306 -12.048 -0.506 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.033 -12.587 -3.176 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.784 -11.516 -0.429 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.592 -10.808 -1.813 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.864 -13.554 -1.941 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.591 -11.816 -2.105 1.00 0.00 H new ATOM 111 N SER A 9 -0.046 -9.968 -3.724 1.00 0.00 N ATOM 112 CA SER A 9 0.410 -8.663 -4.311 1.00 0.00 C ATOM 113 C SER A 9 -0.765 -7.689 -4.409 1.00 0.00 C ATOM 114 O SER A 9 -1.840 -8.043 -4.849 1.00 0.00 O ATOM 115 CB SER A 9 0.947 -9.008 -5.701 1.00 0.00 C ATOM 116 OG SER A 9 2.293 -9.465 -5.593 1.00 0.00 O ATOM 0 H SER A 9 -0.967 -10.279 -4.032 1.00 0.00 H new ATOM 0 HA SER A 9 1.170 -8.180 -3.697 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.327 -9.777 -6.161 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.900 -8.132 -6.348 1.00 0.00 H new ATOM 0 HG SER A 9 2.822 -9.103 -6.334 1.00 0.00 H new ATOM 122 N VAL A 10 -0.569 -6.471 -3.972 1.00 0.00 N ATOM 123 CA VAL A 10 -1.684 -5.478 -3.998 1.00 0.00 C ATOM 124 C VAL A 10 -1.251 -4.145 -4.625 1.00 0.00 C ATOM 125 O VAL A 10 -0.201 -3.604 -4.316 1.00 0.00 O ATOM 126 CB VAL A 10 -2.062 -5.305 -2.515 1.00 0.00 C ATOM 127 CG1 VAL A 10 -2.339 -3.832 -2.187 1.00 0.00 C ATOM 128 CG2 VAL A 10 -3.325 -6.109 -2.225 1.00 0.00 C ATOM 0 H VAL A 10 0.314 -6.122 -3.599 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.521 -5.815 -4.609 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.229 -5.655 -1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.604 -3.737 -1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.447 -3.240 -2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.163 -3.471 -2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.599 -5.991 -1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.138 -5.749 -2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.142 -7.163 -2.436 1.00 0.00 H new ATOM 138 N THR A 11 -2.087 -3.606 -5.476 1.00 0.00 N ATOM 139 CA THR A 11 -1.800 -2.294 -6.118 1.00 0.00 C ATOM 140 C THR A 11 -2.851 -1.283 -5.650 1.00 0.00 C ATOM 141 O THR A 11 -4.039 -1.465 -5.847 1.00 0.00 O ATOM 142 CB THR A 11 -1.890 -2.551 -7.623 1.00 0.00 C ATOM 143 OG1 THR A 11 -0.808 -3.390 -8.019 1.00 0.00 O ATOM 144 CG2 THR A 11 -1.794 -1.230 -8.375 1.00 0.00 C ATOM 0 H THR A 11 -2.971 -4.030 -5.756 1.00 0.00 H new ATOM 0 HA THR A 11 -0.822 -1.888 -5.860 1.00 0.00 H new ATOM 0 HB THR A 11 -2.840 -3.033 -7.852 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.861 -3.559 -8.983 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.858 -1.416 -9.447 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.612 -0.578 -8.070 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.843 -0.750 -8.147 1.00 0.00 H new ATOM 152 N ILE A 12 -2.425 -0.238 -4.997 1.00 0.00 N ATOM 153 CA ILE A 12 -3.397 0.768 -4.471 1.00 0.00 C ATOM 154 C ILE A 12 -3.166 2.153 -5.088 1.00 0.00 C ATOM 155 O ILE A 12 -2.043 2.558 -5.338 1.00 0.00 O ATOM 156 CB ILE A 12 -3.112 0.816 -2.965 1.00 0.00 C ATOM 157 CG1 ILE A 12 -3.492 -0.520 -2.323 1.00 0.00 C ATOM 158 CG2 ILE A 12 -3.924 1.939 -2.315 1.00 0.00 C ATOM 159 CD1 ILE A 12 -2.779 -0.661 -0.977 1.00 0.00 C ATOM 0 H ILE A 12 -1.444 -0.035 -4.803 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.425 0.496 -4.708 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.049 1.004 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.572 -0.574 -2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.215 -1.344 -2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.716 1.966 -1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.648 2.894 -2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.987 1.758 -2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.050 -1.613 -0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.701 -0.626 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.078 0.155 -0.320 1.00 0.00 H new ATOM 171 N SER A 13 -4.226 2.899 -5.284 1.00 0.00 N ATOM 172 CA SER A 13 -4.077 4.285 -5.832 1.00 0.00 C ATOM 173 C SER A 13 -3.922 5.256 -4.650 1.00 0.00 C ATOM 174 O SER A 13 -4.504 5.057 -3.592 1.00 0.00 O ATOM 175 CB SER A 13 -5.364 4.574 -6.614 1.00 0.00 C ATOM 176 OG SER A 13 -5.172 4.258 -7.988 1.00 0.00 O ATOM 0 H SER A 13 -5.185 2.610 -5.089 1.00 0.00 H new ATOM 0 HA SER A 13 -3.208 4.394 -6.480 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.187 3.987 -6.208 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.638 5.624 -6.507 1.00 0.00 H new ATOM 0 HG SER A 13 -5.942 3.749 -8.317 1.00 0.00 H new ATOM 182 N VAL A 14 -3.131 6.284 -4.795 1.00 0.00 N ATOM 183 CA VAL A 14 -2.934 7.232 -3.661 1.00 0.00 C ATOM 184 C VAL A 14 -2.851 8.672 -4.165 1.00 0.00 C ATOM 185 O VAL A 14 -2.044 8.984 -5.016 1.00 0.00 O ATOM 186 CB VAL A 14 -1.603 6.839 -2.987 1.00 0.00 C ATOM 187 CG1 VAL A 14 -1.868 6.461 -1.535 1.00 0.00 C ATOM 188 CG2 VAL A 14 -0.943 5.647 -3.699 1.00 0.00 C ATOM 0 H VAL A 14 -2.615 6.508 -5.646 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.771 7.177 -2.964 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.928 7.693 -3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.930 6.182 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.305 7.311 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.559 5.618 -1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.008 5.397 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.613 4.788 -3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.740 5.910 -4.737 1.00 0.00 H new ATOM 198 N GLU A 15 -3.657 9.554 -3.634 1.00 0.00 N ATOM 199 CA GLU A 15 -3.604 10.973 -4.077 1.00 0.00 C ATOM 200 C GLU A 15 -3.001 11.854 -2.970 1.00 0.00 C ATOM 201 O GLU A 15 -2.844 11.437 -1.837 1.00 0.00 O ATOM 202 CB GLU A 15 -5.054 11.364 -4.382 1.00 0.00 C ATOM 203 CG GLU A 15 -5.098 12.713 -5.126 1.00 0.00 C ATOM 204 CD GLU A 15 -3.993 12.790 -6.187 1.00 0.00 C ATOM 205 OE1 GLU A 15 -4.230 12.354 -7.299 1.00 0.00 O ATOM 206 OE2 GLU A 15 -2.927 13.295 -5.865 1.00 0.00 O ATOM 0 H GLU A 15 -4.349 9.350 -2.913 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.972 11.108 -4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.527 10.591 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.622 11.434 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.072 12.840 -5.599 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.981 13.530 -4.414 1.00 0.00 H new ATOM 213 N GLY A 16 -2.620 13.057 -3.307 1.00 0.00 N ATOM 214 CA GLY A 16 -1.981 13.961 -2.304 1.00 0.00 C ATOM 215 C GLY A 16 -0.464 13.941 -2.525 1.00 0.00 C ATOM 216 O GLY A 16 0.234 14.886 -2.207 1.00 0.00 O ATOM 0 H GLY A 16 -2.724 13.456 -4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.365 14.975 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.220 13.633 -1.292 1.00 0.00 H new ATOM 220 N MET A 17 0.052 12.870 -3.081 1.00 0.00 N ATOM 221 CA MET A 17 1.516 12.790 -3.338 1.00 0.00 C ATOM 222 C MET A 17 1.887 13.687 -4.525 1.00 0.00 C ATOM 223 O MET A 17 1.653 13.347 -5.670 1.00 0.00 O ATOM 224 CB MET A 17 1.787 11.317 -3.663 1.00 0.00 C ATOM 225 CG MET A 17 1.553 10.458 -2.416 1.00 0.00 C ATOM 226 SD MET A 17 2.267 8.812 -2.671 1.00 0.00 S ATOM 227 CE MET A 17 1.430 8.429 -4.230 1.00 0.00 C ATOM 0 H MET A 17 -0.483 12.050 -3.366 1.00 0.00 H new ATOM 0 HA MET A 17 2.107 13.127 -2.487 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.133 10.987 -4.471 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.812 11.195 -4.013 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.006 10.932 -1.545 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.485 10.375 -2.214 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.232 7.358 -4.283 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.488 8.975 -4.281 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.065 8.723 -5.066 1.00 0.00 H new ATOM 237 N THR A 18 2.449 14.837 -4.254 1.00 0.00 N ATOM 238 CA THR A 18 2.836 15.772 -5.362 1.00 0.00 C ATOM 239 C THR A 18 4.362 15.799 -5.566 1.00 0.00 C ATOM 240 O THR A 18 4.870 16.623 -6.300 1.00 0.00 O ATOM 241 CB THR A 18 2.333 17.159 -4.923 1.00 0.00 C ATOM 242 OG1 THR A 18 2.505 18.087 -5.987 1.00 0.00 O ATOM 243 CG2 THR A 18 3.125 17.642 -3.705 1.00 0.00 C ATOM 0 H THR A 18 2.658 15.172 -3.314 1.00 0.00 H new ATOM 0 HA THR A 18 2.403 15.457 -6.311 1.00 0.00 H new ATOM 0 HB THR A 18 1.277 17.086 -4.663 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.345 17.897 -6.454 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.762 18.624 -3.401 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.995 16.937 -2.884 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.182 17.709 -3.962 1.00 0.00 H new ATOM 251 N CYS A 19 5.097 14.909 -4.925 1.00 0.00 N ATOM 252 CA CYS A 19 6.585 14.890 -5.092 1.00 0.00 C ATOM 253 C CYS A 19 7.173 13.748 -4.259 1.00 0.00 C ATOM 254 O CYS A 19 6.725 13.506 -3.144 1.00 0.00 O ATOM 255 CB CYS A 19 7.081 16.269 -4.610 1.00 0.00 C ATOM 256 SG CYS A 19 7.706 16.163 -2.913 1.00 0.00 S ATOM 0 H CYS A 19 4.725 14.198 -4.295 1.00 0.00 H new ATOM 0 HA CYS A 19 6.892 14.719 -6.124 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.868 16.630 -5.272 1.00 0.00 H new ATOM 0 HB3 CYS A 19 6.267 16.992 -4.659 1.00 0.00 H new ATOM 261 N ASN A 20 8.154 13.056 -4.811 1.00 0.00 N ATOM 262 CA ASN A 20 8.828 11.890 -4.126 1.00 0.00 C ATOM 263 C ASN A 20 8.688 11.938 -2.603 1.00 0.00 C ATOM 264 O ASN A 20 8.363 10.951 -1.984 1.00 0.00 O ATOM 265 CB ASN A 20 10.301 11.997 -4.528 1.00 0.00 C ATOM 266 CG ASN A 20 10.454 11.728 -6.026 1.00 0.00 C ATOM 267 OD1 ASN A 20 10.000 12.502 -6.839 1.00 0.00 O ATOM 268 ND2 ASN A 20 11.076 10.658 -6.427 1.00 0.00 N ATOM 0 H ASN A 20 8.527 13.258 -5.738 1.00 0.00 H new ATOM 0 HA ASN A 20 8.370 10.948 -4.427 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.681 12.990 -4.288 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.895 11.282 -3.959 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.180 10.472 -7.425 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.459 10.005 -5.744 1.00 0.00 H new ATOM 275 N SER A 21 8.920 13.076 -1.999 1.00 0.00 N ATOM 276 CA SER A 21 8.789 13.182 -0.505 1.00 0.00 C ATOM 277 C SER A 21 7.464 12.551 -0.004 1.00 0.00 C ATOM 278 O SER A 21 7.374 12.065 1.109 1.00 0.00 O ATOM 279 CB SER A 21 8.801 14.689 -0.213 1.00 0.00 C ATOM 280 OG SER A 21 7.461 15.194 -0.225 1.00 0.00 O ATOM 0 H SER A 21 9.194 13.938 -2.471 1.00 0.00 H new ATOM 0 HA SER A 21 9.592 12.649 0.003 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.262 14.878 0.756 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.402 15.209 -0.959 1.00 0.00 H new ATOM 286 N CYS A 22 6.446 12.534 -0.835 1.00 0.00 N ATOM 287 CA CYS A 22 5.127 11.934 -0.432 1.00 0.00 C ATOM 288 C CYS A 22 5.139 10.434 -0.729 1.00 0.00 C ATOM 289 O CYS A 22 4.590 9.627 0.000 1.00 0.00 O ATOM 290 CB CYS A 22 4.105 12.657 -1.311 1.00 0.00 C ATOM 291 SG CYS A 22 4.266 14.447 -1.071 1.00 0.00 S ATOM 0 H CYS A 22 6.471 12.912 -1.782 1.00 0.00 H new ATOM 0 HA CYS A 22 4.905 12.046 0.629 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.266 12.403 -2.359 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.096 12.334 -1.056 1.00 0.00 H new ATOM 296 N VAL A 23 5.828 10.063 -1.771 1.00 0.00 N ATOM 297 CA VAL A 23 5.963 8.628 -2.129 1.00 0.00 C ATOM 298 C VAL A 23 6.990 8.036 -1.184 1.00 0.00 C ATOM 299 O VAL A 23 6.817 6.954 -0.671 1.00 0.00 O ATOM 300 CB VAL A 23 6.450 8.606 -3.585 1.00 0.00 C ATOM 301 CG1 VAL A 23 7.092 7.252 -3.913 1.00 0.00 C ATOM 302 CG2 VAL A 23 5.257 8.831 -4.516 1.00 0.00 C ATOM 0 H VAL A 23 6.311 10.706 -2.399 1.00 0.00 H new ATOM 0 HA VAL A 23 5.040 8.055 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 23 7.191 9.394 -3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.432 7.252 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.942 7.083 -3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.359 6.458 -3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.596 8.817 -5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.522 8.040 -4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.801 9.797 -4.297 1.00 0.00 H new ATOM 312 N TRP A 24 8.033 8.776 -0.894 1.00 0.00 N ATOM 313 CA TRP A 24 9.039 8.271 0.084 1.00 0.00 C ATOM 314 C TRP A 24 8.326 8.024 1.402 1.00 0.00 C ATOM 315 O TRP A 24 8.603 7.085 2.112 1.00 0.00 O ATOM 316 CB TRP A 24 10.058 9.390 0.272 1.00 0.00 C ATOM 317 CG TRP A 24 11.203 9.248 -0.677 1.00 0.00 C ATOM 318 CD1 TRP A 24 11.883 8.113 -0.968 1.00 0.00 C ATOM 319 CD2 TRP A 24 11.816 10.297 -1.452 1.00 0.00 C ATOM 320 NE1 TRP A 24 12.882 8.418 -1.884 1.00 0.00 N ATOM 321 CE2 TRP A 24 12.872 9.760 -2.212 1.00 0.00 C ATOM 322 CE3 TRP A 24 11.538 11.655 -1.555 1.00 0.00 C ATOM 323 CZ2 TRP A 24 13.638 10.566 -3.058 1.00 0.00 C ATOM 324 CZ3 TRP A 24 12.289 12.475 -2.394 1.00 0.00 C ATOM 325 CH2 TRP A 24 13.344 11.935 -3.150 1.00 0.00 C ATOM 0 H TRP A 24 8.227 9.696 -1.288 1.00 0.00 H new ATOM 0 HA TRP A 24 9.519 7.353 -0.254 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.574 10.355 0.119 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.429 9.378 1.297 1.00 0.00 H new ATOM 0 HD1 TRP A 24 11.682 7.135 -0.557 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.539 7.738 -2.266 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.730 12.079 -0.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 14.446 10.141 -3.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 12.060 13.528 -2.464 1.00 0.00 H new ATOM 0 HH2 TRP A 24 13.926 12.572 -3.800 1.00 0.00 H new ATOM 336 N THR A 25 7.389 8.878 1.715 1.00 0.00 N ATOM 337 CA THR A 25 6.619 8.725 2.994 1.00 0.00 C ATOM 338 C THR A 25 5.762 7.449 2.972 1.00 0.00 C ATOM 339 O THR A 25 5.581 6.798 3.978 1.00 0.00 O ATOM 340 CB THR A 25 5.720 9.966 3.074 1.00 0.00 C ATOM 341 OG1 THR A 25 6.529 11.130 3.173 1.00 0.00 O ATOM 342 CG2 THR A 25 4.821 9.880 4.310 1.00 0.00 C ATOM 0 H THR A 25 7.120 9.678 1.142 1.00 0.00 H new ATOM 0 HA THR A 25 7.284 8.640 3.853 1.00 0.00 H new ATOM 0 HB THR A 25 5.103 10.016 2.177 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.433 11.666 2.358 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.186 10.764 4.360 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.197 8.988 4.245 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.439 9.826 5.206 1.00 0.00 H new ATOM 350 N ILE A 26 5.247 7.086 1.828 1.00 0.00 N ATOM 351 CA ILE A 26 4.393 5.852 1.731 1.00 0.00 C ATOM 352 C ILE A 26 5.246 4.657 1.304 1.00 0.00 C ATOM 353 O ILE A 26 4.992 3.529 1.676 1.00 0.00 O ATOM 354 CB ILE A 26 3.329 6.190 0.668 1.00 0.00 C ATOM 355 CG1 ILE A 26 2.095 6.781 1.353 1.00 0.00 C ATOM 356 CG2 ILE A 26 2.908 4.927 -0.095 1.00 0.00 C ATOM 357 CD1 ILE A 26 2.399 8.201 1.824 1.00 0.00 C ATOM 0 H ILE A 26 5.378 7.588 0.950 1.00 0.00 H new ATOM 0 HA ILE A 26 3.935 5.580 2.682 1.00 0.00 H new ATOM 0 HB ILE A 26 3.756 6.908 -0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.252 6.789 0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.806 6.160 2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.156 5.186 -0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.777 4.495 -0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.491 4.202 0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.518 8.619 2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.229 8.180 2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.667 8.819 0.967 1.00 0.00 H new ATOM 369 N GLU A 27 6.278 4.913 0.557 1.00 0.00 N ATOM 370 CA GLU A 27 7.191 3.832 0.110 1.00 0.00 C ATOM 371 C GLU A 27 8.035 3.416 1.305 1.00 0.00 C ATOM 372 O GLU A 27 8.327 2.250 1.503 1.00 0.00 O ATOM 373 CB GLU A 27 8.046 4.468 -0.994 1.00 0.00 C ATOM 374 CG GLU A 27 9.092 3.464 -1.486 1.00 0.00 C ATOM 375 CD GLU A 27 9.099 3.416 -3.015 1.00 0.00 C ATOM 376 OE1 GLU A 27 9.460 4.409 -3.618 1.00 0.00 O ATOM 377 OE2 GLU A 27 8.754 2.375 -3.561 1.00 0.00 O ATOM 0 H GLU A 27 6.532 5.846 0.231 1.00 0.00 H new ATOM 0 HA GLU A 27 6.683 2.944 -0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.411 4.781 -1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.539 5.363 -0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.079 3.746 -1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.874 2.474 -1.085 1.00 0.00 H new ATOM 384 N GLN A 28 8.386 4.364 2.140 1.00 0.00 N ATOM 385 CA GLN A 28 9.169 4.006 3.358 1.00 0.00 C ATOM 386 C GLN A 28 8.219 3.441 4.411 1.00 0.00 C ATOM 387 O GLN A 28 8.572 2.547 5.163 1.00 0.00 O ATOM 388 CB GLN A 28 9.810 5.299 3.861 1.00 0.00 C ATOM 389 CG GLN A 28 11.010 5.656 2.980 1.00 0.00 C ATOM 390 CD GLN A 28 11.951 6.578 3.755 1.00 0.00 C ATOM 391 OE1 GLN A 28 12.849 6.120 4.427 1.00 0.00 O ATOM 392 NE2 GLN A 28 11.780 7.865 3.694 1.00 0.00 N ATOM 0 H GLN A 28 8.167 5.354 2.032 1.00 0.00 H new ATOM 0 HA GLN A 28 9.931 3.256 3.146 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.080 6.109 3.844 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.129 5.179 4.896 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.537 4.750 2.679 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.672 6.147 2.067 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.025 8.253 3.129 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.401 8.487 4.211 1.00 0.00 H new ATOM 401 N GLN A 29 7.003 3.937 4.468 1.00 0.00 N ATOM 402 CA GLN A 29 6.056 3.388 5.490 1.00 0.00 C ATOM 403 C GLN A 29 5.593 1.987 5.080 1.00 0.00 C ATOM 404 O GLN A 29 5.688 1.051 5.851 1.00 0.00 O ATOM 405 CB GLN A 29 4.883 4.361 5.556 1.00 0.00 C ATOM 406 CG GLN A 29 5.061 5.289 6.766 1.00 0.00 C ATOM 407 CD GLN A 29 4.654 4.554 8.051 1.00 0.00 C ATOM 408 OE1 GLN A 29 5.348 3.665 8.506 1.00 0.00 O ATOM 409 NE2 GLN A 29 3.556 4.890 8.662 1.00 0.00 N ATOM 0 H GLN A 29 6.634 4.676 3.870 1.00 0.00 H new ATOM 0 HA GLN A 29 6.529 3.291 6.467 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.830 4.947 4.638 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.945 3.812 5.639 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.099 5.615 6.836 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.453 6.185 6.641 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.970 5.635 8.285 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.281 4.409 9.518 1.00 0.00 H new ATOM 418 N ILE A 30 5.117 1.819 3.870 1.00 0.00 N ATOM 419 CA ILE A 30 4.675 0.457 3.432 1.00 0.00 C ATOM 420 C ILE A 30 5.841 -0.540 3.567 1.00 0.00 C ATOM 421 O ILE A 30 5.659 -1.652 4.025 1.00 0.00 O ATOM 422 CB ILE A 30 4.205 0.627 1.974 1.00 0.00 C ATOM 423 CG1 ILE A 30 2.958 -0.226 1.744 1.00 0.00 C ATOM 424 CG2 ILE A 30 5.295 0.199 0.989 1.00 0.00 C ATOM 425 CD1 ILE A 30 1.708 0.625 1.978 1.00 0.00 C ATOM 0 H ILE A 30 5.016 2.557 3.173 1.00 0.00 H new ATOM 0 HA ILE A 30 3.867 0.054 4.043 1.00 0.00 H new ATOM 0 HB ILE A 30 3.981 1.680 1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.957 -0.621 0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.960 -1.082 2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.935 0.330 -0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.184 0.811 1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.544 -0.849 1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.818 0.017 1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.709 0.999 3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.706 1.466 1.285 1.00 0.00 H new ATOM 437 N GLY A 31 7.043 -0.141 3.207 1.00 0.00 N ATOM 438 CA GLY A 31 8.213 -1.064 3.355 1.00 0.00 C ATOM 439 C GLY A 31 8.443 -1.355 4.845 1.00 0.00 C ATOM 440 O GLY A 31 8.969 -2.389 5.207 1.00 0.00 O ATOM 0 H GLY A 31 7.260 0.777 2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.029 -1.993 2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.104 -0.613 2.919 1.00 0.00 H new ATOM 444 N LYS A 32 8.045 -0.449 5.706 1.00 0.00 N ATOM 445 CA LYS A 32 8.226 -0.659 7.175 1.00 0.00 C ATOM 446 C LYS A 32 6.854 -0.727 7.891 1.00 0.00 C ATOM 447 O LYS A 32 6.741 -0.389 9.060 1.00 0.00 O ATOM 448 CB LYS A 32 9.027 0.576 7.622 1.00 0.00 C ATOM 449 CG LYS A 32 9.400 0.467 9.109 1.00 0.00 C ATOM 450 CD LYS A 32 9.327 1.853 9.780 1.00 0.00 C ATOM 451 CE LYS A 32 7.957 2.514 9.543 1.00 0.00 C ATOM 452 NZ LYS A 32 6.964 1.679 10.284 1.00 0.00 N ATOM 0 H LYS A 32 7.600 0.432 5.451 1.00 0.00 H new ATOM 0 HA LYS A 32 8.732 -1.595 7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.931 0.668 7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.439 1.478 7.454 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.723 -0.224 9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.406 0.059 9.210 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.505 1.752 10.851 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.116 2.493 9.385 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.951 3.542 9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.720 2.551 8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.060 2.189 10.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.820 0.781 9.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.320 1.485 11.242 1.00 0.00 H new ATOM 466 N VAL A 33 5.802 -1.132 7.204 1.00 0.00 N ATOM 467 CA VAL A 33 4.459 -1.180 7.868 1.00 0.00 C ATOM 468 C VAL A 33 4.206 -2.520 8.593 1.00 0.00 C ATOM 469 O VAL A 33 3.796 -2.524 9.739 1.00 0.00 O ATOM 470 CB VAL A 33 3.435 -0.933 6.749 1.00 0.00 C ATOM 471 CG1 VAL A 33 3.294 -2.156 5.843 1.00 0.00 C ATOM 472 CG2 VAL A 33 2.078 -0.620 7.375 1.00 0.00 C ATOM 0 H VAL A 33 5.818 -1.426 6.227 1.00 0.00 H new ATOM 0 HA VAL A 33 4.385 -0.426 8.652 1.00 0.00 H new ATOM 0 HB VAL A 33 3.784 -0.096 6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.562 -1.948 5.062 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.257 -2.383 5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.962 -3.010 6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.346 -0.443 6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.756 -1.463 7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.162 0.270 7.999 1.00 0.00 H new ATOM 482 N ASN A 34 4.428 -3.656 7.959 1.00 0.00 N ATOM 483 CA ASN A 34 4.169 -4.952 8.672 1.00 0.00 C ATOM 484 C ASN A 34 4.712 -6.168 7.898 1.00 0.00 C ATOM 485 O ASN A 34 5.637 -6.822 8.344 1.00 0.00 O ATOM 486 CB ASN A 34 2.640 -5.030 8.806 1.00 0.00 C ATOM 487 CG ASN A 34 2.271 -5.496 10.212 1.00 0.00 C ATOM 488 OD1 ASN A 34 1.762 -6.581 10.390 1.00 0.00 O ATOM 489 ND2 ASN A 34 2.507 -4.717 11.228 1.00 0.00 N ATOM 0 H ASN A 34 4.769 -3.739 7.001 1.00 0.00 H new ATOM 0 HA ASN A 34 4.678 -4.977 9.636 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.197 -4.054 8.608 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.235 -5.720 8.066 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.264 -5.021 12.171 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.935 -3.803 11.081 1.00 0.00 H new ATOM 496 N GLY A 35 4.140 -6.494 6.763 1.00 0.00 N ATOM 497 CA GLY A 35 4.622 -7.686 5.998 1.00 0.00 C ATOM 498 C GLY A 35 4.575 -7.422 4.492 1.00 0.00 C ATOM 499 O GLY A 35 3.753 -7.972 3.785 1.00 0.00 O ATOM 0 H GLY A 35 3.364 -5.988 6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.642 -7.928 6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.005 -8.552 6.239 1.00 0.00 H new ATOM 503 N VAL A 36 5.475 -6.613 3.994 1.00 0.00 N ATOM 504 CA VAL A 36 5.522 -6.335 2.532 1.00 0.00 C ATOM 505 C VAL A 36 6.938 -6.592 2.035 1.00 0.00 C ATOM 506 O VAL A 36 7.787 -5.725 2.017 1.00 0.00 O ATOM 507 CB VAL A 36 5.136 -4.871 2.338 1.00 0.00 C ATOM 508 CG1 VAL A 36 5.172 -4.552 0.841 1.00 0.00 C ATOM 509 CG2 VAL A 36 3.722 -4.644 2.862 1.00 0.00 C ATOM 0 H VAL A 36 6.185 -6.130 4.545 1.00 0.00 H new ATOM 0 HA VAL A 36 4.839 -6.974 1.973 1.00 0.00 H new ATOM 0 HB VAL A 36 5.831 -4.229 2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.898 -3.509 0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.177 -4.725 0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.466 -5.195 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.446 -3.599 2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.025 -5.279 2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.683 -4.892 3.923 1.00 0.00 H new ATOM 519 N HIS A 37 7.178 -7.798 1.650 1.00 0.00 N ATOM 520 CA HIS A 37 8.541 -8.201 1.149 1.00 0.00 C ATOM 521 C HIS A 37 8.918 -7.398 -0.113 1.00 0.00 C ATOM 522 O HIS A 37 10.081 -7.231 -0.424 1.00 0.00 O ATOM 523 CB HIS A 37 8.437 -9.703 0.817 1.00 0.00 C ATOM 524 CG HIS A 37 7.859 -10.469 1.982 1.00 0.00 C ATOM 525 ND1 HIS A 37 8.653 -11.176 2.868 1.00 0.00 N ATOM 526 CD2 HIS A 37 6.566 -10.660 2.407 1.00 0.00 C ATOM 527 CE1 HIS A 37 7.837 -11.754 3.772 1.00 0.00 C ATOM 528 NE2 HIS A 37 6.557 -11.470 3.535 1.00 0.00 N ATOM 0 H HIS A 37 6.488 -8.549 1.654 1.00 0.00 H new ATOM 0 HA HIS A 37 9.313 -8.003 1.893 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.810 -9.843 -0.064 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.424 -10.095 0.571 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.689 -10.243 1.935 1.00 0.00 H new ATOM 0 HE1 HIS A 37 8.179 -12.372 4.589 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.745 -11.781 4.068 1.00 0.00 H new ATOM 536 N HIS A 38 7.943 -6.889 -0.825 1.00 0.00 N ATOM 537 CA HIS A 38 8.223 -6.083 -2.055 1.00 0.00 C ATOM 538 C HIS A 38 7.311 -4.855 -2.069 1.00 0.00 C ATOM 539 O HIS A 38 6.104 -4.974 -2.184 1.00 0.00 O ATOM 540 CB HIS A 38 7.897 -6.985 -3.251 1.00 0.00 C ATOM 541 CG HIS A 38 8.890 -8.106 -3.338 1.00 0.00 C ATOM 542 ND1 HIS A 38 9.933 -8.101 -4.249 1.00 0.00 N ATOM 543 CD2 HIS A 38 9.014 -9.273 -2.632 1.00 0.00 C ATOM 544 CE1 HIS A 38 10.634 -9.236 -4.066 1.00 0.00 C ATOM 545 NE2 HIS A 38 10.115 -9.986 -3.092 1.00 0.00 N ATOM 0 H HIS A 38 6.953 -6.999 -0.604 1.00 0.00 H new ATOM 0 HA HIS A 38 9.259 -5.746 -2.089 1.00 0.00 H new ATOM 0 HB2 HIS A 38 6.890 -7.388 -3.148 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.914 -6.402 -4.172 1.00 0.00 H new ATOM 0 HD2 HIS A 38 8.355 -9.591 -1.837 1.00 0.00 H new ATOM 0 HE1 HIS A 38 11.509 -9.506 -4.638 1.00 0.00 H new ATOM 0 HE2 HIS A 38 10.453 -10.888 -2.757 1.00 0.00 H new ATOM 553 N ILE A 39 7.866 -3.684 -1.943 1.00 0.00 N ATOM 554 CA ILE A 39 7.023 -2.450 -1.939 1.00 0.00 C ATOM 555 C ILE A 39 7.340 -1.601 -3.189 1.00 0.00 C ATOM 556 O ILE A 39 8.496 -1.436 -3.554 1.00 0.00 O ATOM 557 CB ILE A 39 7.410 -1.709 -0.645 1.00 0.00 C ATOM 558 CG1 ILE A 39 8.803 -1.110 -0.786 1.00 0.00 C ATOM 559 CG2 ILE A 39 7.412 -2.668 0.551 1.00 0.00 C ATOM 560 CD1 ILE A 39 8.659 0.354 -1.159 1.00 0.00 C ATOM 0 H ILE A 39 8.868 -3.524 -1.842 1.00 0.00 H new ATOM 0 HA ILE A 39 5.955 -2.665 -1.968 1.00 0.00 H new ATOM 0 HB ILE A 39 6.676 -0.921 -0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.356 -1.211 0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.369 -1.642 -1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.688 -2.123 1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.417 -3.096 0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.132 -3.467 0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.647 0.801 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.120 0.438 -2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.106 0.876 -0.378 1.00 0.00 H new ATOM 572 N LYS A 40 6.352 -1.067 -3.867 1.00 0.00 N ATOM 573 CA LYS A 40 6.669 -0.251 -5.081 1.00 0.00 C ATOM 574 C LYS A 40 5.627 0.843 -5.338 1.00 0.00 C ATOM 575 O LYS A 40 4.448 0.587 -5.498 1.00 0.00 O ATOM 576 CB LYS A 40 6.722 -1.250 -6.239 1.00 0.00 C ATOM 577 CG LYS A 40 7.773 -0.799 -7.262 1.00 0.00 C ATOM 578 CD LYS A 40 9.175 -0.824 -6.628 1.00 0.00 C ATOM 579 CE LYS A 40 9.518 0.566 -6.075 1.00 0.00 C ATOM 580 NZ LYS A 40 9.752 0.380 -4.605 1.00 0.00 N ATOM 0 H LYS A 40 5.362 -1.157 -3.639 1.00 0.00 H new ATOM 0 HA LYS A 40 7.612 0.282 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.968 -2.244 -5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.744 -1.322 -6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.748 -1.454 -8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.542 0.207 -7.613 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.209 -1.563 -5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.915 -1.123 -7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.404 0.972 -6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.705 1.269 -6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.336 1.178 -4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.308 -0.507 -4.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.774 0.340 -4.419 1.00 0.00 H new ATOM 594 N VAL A 41 6.085 2.067 -5.393 1.00 0.00 N ATOM 595 CA VAL A 41 5.188 3.228 -5.654 1.00 0.00 C ATOM 596 C VAL A 41 5.761 4.056 -6.821 1.00 0.00 C ATOM 597 O VAL A 41 6.895 3.861 -7.218 1.00 0.00 O ATOM 598 CB VAL A 41 5.193 4.043 -4.348 1.00 0.00 C ATOM 599 CG1 VAL A 41 4.020 5.026 -4.348 1.00 0.00 C ATOM 600 CG2 VAL A 41 5.056 3.105 -3.140 1.00 0.00 C ATOM 0 H VAL A 41 7.066 2.314 -5.265 1.00 0.00 H new ATOM 0 HA VAL A 41 4.176 2.930 -5.930 1.00 0.00 H new ATOM 0 HB VAL A 41 6.134 4.589 -4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.027 5.601 -3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.113 5.704 -5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.083 4.474 -4.425 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.061 3.692 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.119 2.552 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.891 2.404 -3.127 1.00 0.00 H new ATOM 610 N SER A 42 5.001 4.969 -7.377 1.00 0.00 N ATOM 611 CA SER A 42 5.534 5.783 -8.512 1.00 0.00 C ATOM 612 C SER A 42 5.786 7.232 -8.054 1.00 0.00 C ATOM 613 O SER A 42 6.776 7.505 -7.409 1.00 0.00 O ATOM 614 CB SER A 42 4.464 5.706 -9.608 1.00 0.00 C ATOM 615 OG SER A 42 4.755 4.616 -10.475 1.00 0.00 O ATOM 0 H SER A 42 4.044 5.184 -7.097 1.00 0.00 H new ATOM 0 HA SER A 42 6.491 5.411 -8.879 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.478 5.577 -9.161 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.438 6.638 -10.173 1.00 0.00 H new ATOM 0 HG SER A 42 4.453 4.830 -11.382 1.00 0.00 H new ATOM 621 N LEU A 43 4.901 8.158 -8.367 1.00 0.00 N ATOM 622 CA LEU A 43 5.074 9.572 -7.947 1.00 0.00 C ATOM 623 C LEU A 43 3.876 10.410 -8.438 1.00 0.00 C ATOM 624 O LEU A 43 2.860 10.476 -7.773 1.00 0.00 O ATOM 625 CB LEU A 43 6.405 10.028 -8.569 1.00 0.00 C ATOM 626 CG LEU A 43 7.111 10.950 -7.586 1.00 0.00 C ATOM 627 CD1 LEU A 43 6.177 12.105 -7.233 1.00 0.00 C ATOM 628 CD2 LEU A 43 7.449 10.162 -6.321 1.00 0.00 C ATOM 0 H LEU A 43 4.054 7.978 -8.906 1.00 0.00 H new ATOM 0 HA LEU A 43 5.104 9.693 -6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.032 9.165 -8.795 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.224 10.546 -9.511 1.00 0.00 H new ATOM 0 HG LEU A 43 8.027 11.341 -8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.674 12.772 -6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.923 12.657 -8.138 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.267 11.712 -6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.956 10.815 -5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.531 9.781 -5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.102 9.327 -6.576 1.00 0.00 H new ATOM 640 N GLU A 44 3.954 11.020 -9.600 1.00 0.00 N ATOM 641 CA GLU A 44 2.781 11.810 -10.100 1.00 0.00 C ATOM 642 C GLU A 44 1.707 10.854 -10.634 1.00 0.00 C ATOM 643 O GLU A 44 0.579 11.237 -10.882 1.00 0.00 O ATOM 644 CB GLU A 44 3.341 12.725 -11.199 1.00 0.00 C ATOM 645 CG GLU A 44 3.195 14.216 -10.808 1.00 0.00 C ATOM 646 CD GLU A 44 3.024 14.386 -9.292 1.00 0.00 C ATOM 647 OE1 GLU A 44 4.027 14.394 -8.596 1.00 0.00 O ATOM 648 OE2 GLU A 44 1.885 14.504 -8.853 1.00 0.00 O ATOM 0 H GLU A 44 4.767 11.006 -10.216 1.00 0.00 H new ATOM 0 HA GLU A 44 2.304 12.402 -9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.392 12.492 -11.371 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.816 12.538 -12.136 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.074 14.768 -11.140 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.336 14.646 -11.323 1.00 0.00 H new ATOM 655 N GLU A 45 2.047 9.596 -10.754 1.00 0.00 N ATOM 656 CA GLU A 45 1.068 8.569 -11.201 1.00 0.00 C ATOM 657 C GLU A 45 0.089 8.264 -10.045 1.00 0.00 C ATOM 658 O GLU A 45 -0.935 7.637 -10.235 1.00 0.00 O ATOM 659 CB GLU A 45 1.940 7.353 -11.527 1.00 0.00 C ATOM 660 CG GLU A 45 1.098 6.245 -12.166 1.00 0.00 C ATOM 661 CD GLU A 45 1.760 4.890 -11.908 1.00 0.00 C ATOM 662 OE1 GLU A 45 2.945 4.764 -12.181 1.00 0.00 O ATOM 663 OE2 GLU A 45 1.075 4.004 -11.430 1.00 0.00 O ATOM 0 H GLU A 45 2.980 9.234 -10.556 1.00 0.00 H new ATOM 0 HA GLU A 45 0.462 8.876 -12.053 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.742 7.645 -12.205 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.411 6.981 -10.617 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.090 6.254 -11.751 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.003 6.418 -13.238 1.00 0.00 H new ATOM 670 N LYS A 46 0.404 8.734 -8.846 1.00 0.00 N ATOM 671 CA LYS A 46 -0.488 8.514 -7.656 1.00 0.00 C ATOM 672 C LYS A 46 -0.850 7.026 -7.496 1.00 0.00 C ATOM 673 O LYS A 46 -2.016 6.662 -7.454 1.00 0.00 O ATOM 674 CB LYS A 46 -1.755 9.353 -7.923 1.00 0.00 C ATOM 675 CG LYS A 46 -1.402 10.688 -8.598 1.00 0.00 C ATOM 676 CD LYS A 46 -0.869 11.689 -7.567 1.00 0.00 C ATOM 677 CE LYS A 46 -1.039 13.106 -8.122 1.00 0.00 C ATOM 678 NZ LYS A 46 -0.022 13.945 -7.418 1.00 0.00 N ATOM 0 H LYS A 46 1.251 9.265 -8.646 1.00 0.00 H new ATOM 0 HA LYS A 46 0.009 8.811 -6.732 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.440 8.791 -8.558 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.274 9.543 -6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.654 10.523 -9.373 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.285 11.098 -9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.409 11.585 -6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.182 11.490 -7.356 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.882 13.125 -9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.047 13.479 -7.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.495 14.744 -6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.471 13.369 -6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.667 14.307 -8.108 1.00 0.00 H new ATOM 692 N ASN A 47 0.128 6.152 -7.397 1.00 0.00 N ATOM 693 CA ASN A 47 -0.212 4.696 -7.237 1.00 0.00 C ATOM 694 C ASN A 47 0.898 3.915 -6.524 1.00 0.00 C ATOM 695 O ASN A 47 2.065 4.261 -6.587 1.00 0.00 O ATOM 696 CB ASN A 47 -0.401 4.169 -8.665 1.00 0.00 C ATOM 697 CG ASN A 47 -1.829 3.651 -8.828 1.00 0.00 C ATOM 698 OD1 ASN A 47 -2.048 2.466 -8.964 1.00 0.00 O ATOM 699 ND2 ASN A 47 -2.813 4.496 -8.810 1.00 0.00 N ATOM 0 H ASN A 47 1.123 6.374 -7.419 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.102 4.572 -6.621 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.205 4.962 -9.386 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.313 3.371 -8.868 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.772 4.164 -8.910 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.628 5.492 -8.696 1.00 0.00 H new ATOM 706 N ALA A 48 0.524 2.855 -5.846 1.00 0.00 N ATOM 707 CA ALA A 48 1.527 2.022 -5.118 1.00 0.00 C ATOM 708 C ALA A 48 1.165 0.529 -5.217 1.00 0.00 C ATOM 709 O ALA A 48 0.028 0.141 -5.024 1.00 0.00 O ATOM 710 CB ALA A 48 1.453 2.502 -3.667 1.00 0.00 C ATOM 0 H ALA A 48 -0.440 2.532 -5.767 1.00 0.00 H new ATOM 0 HA ALA A 48 2.529 2.125 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.162 1.938 -3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.699 3.563 -3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.445 2.347 -3.284 1.00 0.00 H new ATOM 716 N THR A 49 2.133 -0.308 -5.497 1.00 0.00 N ATOM 717 CA THR A 49 1.873 -1.773 -5.590 1.00 0.00 C ATOM 718 C THR A 49 2.877 -2.524 -4.714 1.00 0.00 C ATOM 719 O THR A 49 4.059 -2.233 -4.720 1.00 0.00 O ATOM 720 CB THR A 49 2.035 -2.145 -7.072 1.00 0.00 C ATOM 721 OG1 THR A 49 1.445 -3.418 -7.302 1.00 0.00 O ATOM 722 CG2 THR A 49 3.519 -2.209 -7.447 1.00 0.00 C ATOM 0 H THR A 49 3.101 -0.034 -5.666 1.00 0.00 H new ATOM 0 HA THR A 49 0.876 -2.039 -5.239 1.00 0.00 H new ATOM 0 HB THR A 49 1.545 -1.386 -7.682 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.483 -3.310 -7.452 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.617 -2.474 -8.500 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.981 -1.237 -7.273 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.017 -2.962 -6.836 1.00 0.00 H new ATOM 730 N ILE A 50 2.422 -3.471 -3.945 1.00 0.00 N ATOM 731 CA ILE A 50 3.365 -4.218 -3.054 1.00 0.00 C ATOM 732 C ILE A 50 2.888 -5.656 -2.834 1.00 0.00 C ATOM 733 O ILE A 50 1.740 -5.990 -3.079 1.00 0.00 O ATOM 734 CB ILE A 50 3.394 -3.450 -1.701 1.00 0.00 C ATOM 735 CG1 ILE A 50 2.369 -4.044 -0.713 1.00 0.00 C ATOM 736 CG2 ILE A 50 3.083 -1.959 -1.898 1.00 0.00 C ATOM 737 CD1 ILE A 50 0.942 -3.787 -1.208 1.00 0.00 C ATOM 0 H ILE A 50 1.446 -3.762 -3.891 1.00 0.00 H new ATOM 0 HA ILE A 50 4.357 -4.275 -3.503 1.00 0.00 H new ATOM 0 HB ILE A 50 4.400 -3.555 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.536 -5.116 -0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.505 -3.600 0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.111 -1.451 -0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.825 -1.517 -2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.091 -1.849 -2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.230 -4.212 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.774 -2.713 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.806 -4.253 -2.184 1.00 0.00 H new ATOM 749 N ILE A 51 3.748 -6.502 -2.339 1.00 0.00 N ATOM 750 CA ILE A 51 3.344 -7.893 -2.061 1.00 0.00 C ATOM 751 C ILE A 51 3.229 -8.056 -0.553 1.00 0.00 C ATOM 752 O ILE A 51 3.642 -7.195 0.203 1.00 0.00 O ATOM 753 CB ILE A 51 4.453 -8.785 -2.628 1.00 0.00 C ATOM 754 CG1 ILE A 51 5.681 -8.710 -1.732 1.00 0.00 C ATOM 755 CG2 ILE A 51 4.827 -8.353 -4.050 1.00 0.00 C ATOM 756 CD1 ILE A 51 5.617 -9.825 -0.691 1.00 0.00 C ATOM 0 H ILE A 51 4.718 -6.280 -2.116 1.00 0.00 H new ATOM 0 HA ILE A 51 2.386 -8.156 -2.510 1.00 0.00 H new ATOM 0 HB ILE A 51 4.086 -9.811 -2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.587 -8.807 -2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.726 -7.739 -1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.616 -9.001 -4.431 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.952 -8.429 -4.695 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.179 -7.322 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.496 -9.773 -0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.718 -9.707 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.592 -10.792 -1.194 1.00 0.00 H new ATOM 768 N TYR A 52 2.650 -9.125 -0.103 1.00 0.00 N ATOM 769 CA TYR A 52 2.485 -9.296 1.363 1.00 0.00 C ATOM 770 C TYR A 52 2.001 -10.704 1.691 1.00 0.00 C ATOM 771 O TYR A 52 1.480 -11.406 0.843 1.00 0.00 O ATOM 772 CB TYR A 52 1.426 -8.250 1.752 1.00 0.00 C ATOM 773 CG TYR A 52 0.188 -8.408 0.885 1.00 0.00 C ATOM 774 CD1 TYR A 52 0.132 -7.833 -0.399 1.00 0.00 C ATOM 775 CD2 TYR A 52 -0.909 -9.132 1.367 1.00 0.00 C ATOM 776 CE1 TYR A 52 -1.003 -7.994 -1.179 1.00 0.00 C ATOM 777 CE2 TYR A 52 -2.052 -9.287 0.575 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.099 -8.718 -0.699 1.00 0.00 C ATOM 779 OH TYR A 52 -3.216 -8.878 -1.496 1.00 0.00 O ATOM 0 H TYR A 52 2.286 -9.884 -0.679 1.00 0.00 H new ATOM 0 HA TYR A 52 3.421 -9.162 1.906 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.160 -8.365 2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.835 -7.247 1.635 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.972 -7.268 -0.776 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.873 -9.572 2.353 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.041 -7.557 -2.166 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.897 -9.846 0.949 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.911 -9.352 -0.994 1.00 0.00 H new ATOM 789 N ASP A 53 2.156 -11.116 2.916 1.00 0.00 N ATOM 790 CA ASP A 53 1.688 -12.471 3.301 1.00 0.00 C ATOM 791 C ASP A 53 0.169 -12.453 3.514 1.00 0.00 C ATOM 792 O ASP A 53 -0.329 -11.708 4.343 1.00 0.00 O ATOM 793 CB ASP A 53 2.436 -12.802 4.598 1.00 0.00 C ATOM 794 CG ASP A 53 3.007 -14.218 4.505 1.00 0.00 C ATOM 795 OD1 ASP A 53 2.323 -15.083 3.972 1.00 0.00 O ATOM 796 OD2 ASP A 53 4.115 -14.420 4.967 1.00 0.00 O ATOM 0 H ASP A 53 2.586 -10.573 3.665 1.00 0.00 H new ATOM 0 HA ASP A 53 1.886 -13.220 2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.239 -12.084 4.762 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.761 -12.725 5.450 1.00 0.00 H new ATOM 801 N PRO A 54 -0.521 -13.283 2.757 1.00 0.00 N ATOM 802 CA PRO A 54 -2.006 -13.373 2.866 1.00 0.00 C ATOM 803 C PRO A 54 -2.392 -13.902 4.252 1.00 0.00 C ATOM 804 O PRO A 54 -2.836 -15.026 4.408 1.00 0.00 O ATOM 805 CB PRO A 54 -2.386 -14.352 1.753 1.00 0.00 C ATOM 806 CG PRO A 54 -1.147 -15.153 1.520 1.00 0.00 C ATOM 807 CD PRO A 54 0.001 -14.206 1.740 1.00 0.00 C ATOM 0 HA PRO A 54 -2.518 -12.417 2.759 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.219 -14.988 2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.694 -13.826 0.850 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.093 -15.998 2.206 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.129 -15.561 0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.893 -14.727 2.088 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.274 -13.684 0.823 1.00 0.00 H new ATOM 815 N LYS A 55 -2.192 -13.095 5.261 1.00 0.00 N ATOM 816 CA LYS A 55 -2.507 -13.520 6.658 1.00 0.00 C ATOM 817 C LYS A 55 -2.369 -12.340 7.634 1.00 0.00 C ATOM 818 O LYS A 55 -3.213 -12.134 8.482 1.00 0.00 O ATOM 819 CB LYS A 55 -1.487 -14.624 7.003 1.00 0.00 C ATOM 820 CG LYS A 55 -0.138 -14.387 6.293 1.00 0.00 C ATOM 821 CD LYS A 55 0.812 -15.548 6.605 1.00 0.00 C ATOM 822 CE LYS A 55 0.334 -16.821 5.896 1.00 0.00 C ATOM 823 NZ LYS A 55 0.331 -16.488 4.442 1.00 0.00 N ATOM 0 H LYS A 55 -1.820 -12.149 5.176 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.533 -13.878 6.740 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.332 -14.654 8.081 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.887 -15.595 6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.290 -14.306 5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.300 -13.445 6.625 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.823 -15.299 6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.854 -15.715 7.681 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.998 -17.660 6.105 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.661 -17.109 6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.470 -17.356 3.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.580 -16.055 4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.101 -15.820 4.237 1.00 0.00 H new ATOM 837 N LEU A 56 -1.310 -11.573 7.532 1.00 0.00 N ATOM 838 CA LEU A 56 -1.127 -10.420 8.474 1.00 0.00 C ATOM 839 C LEU A 56 -1.254 -9.064 7.752 1.00 0.00 C ATOM 840 O LEU A 56 -1.517 -8.054 8.374 1.00 0.00 O ATOM 841 CB LEU A 56 0.279 -10.609 9.061 1.00 0.00 C ATOM 842 CG LEU A 56 1.345 -10.418 7.975 1.00 0.00 C ATOM 843 CD1 LEU A 56 2.036 -9.069 8.173 1.00 0.00 C ATOM 844 CD2 LEU A 56 2.383 -11.538 8.074 1.00 0.00 C ATOM 0 H LEU A 56 -0.568 -11.693 6.842 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.896 -10.407 9.246 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.442 -9.895 9.868 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.368 -11.605 9.495 1.00 0.00 H new ATOM 0 HG LEU A 56 0.872 -10.446 6.994 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.794 -8.932 7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.299 -8.269 8.104 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.509 -9.043 9.155 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.140 -11.402 7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.856 -11.510 9.055 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.893 -12.502 7.935 1.00 0.00 H new ATOM 856 N GLN A 57 -1.064 -9.024 6.455 1.00 0.00 N ATOM 857 CA GLN A 57 -1.173 -7.734 5.714 1.00 0.00 C ATOM 858 C GLN A 57 -2.173 -7.875 4.557 1.00 0.00 C ATOM 859 O GLN A 57 -2.135 -8.836 3.822 1.00 0.00 O ATOM 860 CB GLN A 57 0.244 -7.497 5.186 1.00 0.00 C ATOM 861 CG GLN A 57 0.325 -6.130 4.507 1.00 0.00 C ATOM 862 CD GLN A 57 1.020 -5.130 5.435 1.00 0.00 C ATOM 863 OE1 GLN A 57 2.126 -5.359 5.879 1.00 0.00 O ATOM 864 NE2 GLN A 57 0.417 -4.018 5.747 1.00 0.00 N ATOM 0 H GLN A 57 -0.837 -9.834 5.878 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.530 -6.910 6.332 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.960 -7.548 6.006 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.513 -8.281 4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.874 -6.212 3.569 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.676 -5.776 4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.513 -3.821 5.377 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.875 -3.345 6.362 1.00 0.00 H new ATOM 873 N THR A 58 -3.067 -6.933 4.393 1.00 0.00 N ATOM 874 CA THR A 58 -4.068 -7.030 3.275 1.00 0.00 C ATOM 875 C THR A 58 -4.315 -5.638 2.668 1.00 0.00 C ATOM 876 O THR A 58 -3.913 -4.646 3.242 1.00 0.00 O ATOM 877 CB THR A 58 -5.360 -7.559 3.918 1.00 0.00 C ATOM 878 OG1 THR A 58 -5.901 -6.564 4.779 1.00 0.00 O ATOM 879 CG2 THR A 58 -5.071 -8.830 4.723 1.00 0.00 C ATOM 0 H THR A 58 -3.151 -6.103 4.979 1.00 0.00 H new ATOM 0 HA THR A 58 -3.718 -7.682 2.475 1.00 0.00 H new ATOM 0 HB THR A 58 -6.077 -7.795 3.131 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.726 -6.899 5.188 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.995 -9.194 5.173 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.664 -9.595 4.062 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.348 -8.607 5.508 1.00 0.00 H new ATOM 887 N PRO A 59 -4.983 -5.599 1.532 1.00 0.00 N ATOM 888 CA PRO A 59 -5.283 -4.296 0.856 1.00 0.00 C ATOM 889 C PRO A 59 -6.173 -3.391 1.725 1.00 0.00 C ATOM 890 O PRO A 59 -6.193 -2.188 1.554 1.00 0.00 O ATOM 891 CB PRO A 59 -5.993 -4.720 -0.431 1.00 0.00 C ATOM 892 CG PRO A 59 -6.540 -6.071 -0.124 1.00 0.00 C ATOM 893 CD PRO A 59 -5.530 -6.732 0.773 1.00 0.00 C ATOM 0 HA PRO A 59 -4.388 -3.703 0.670 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.786 -4.021 -0.696 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.302 -4.753 -1.274 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.510 -5.997 0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.689 -6.648 -1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.992 -7.472 1.426 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.758 -7.248 0.202 1.00 0.00 H new ATOM 901 N LYS A 60 -6.877 -3.951 2.678 1.00 0.00 N ATOM 902 CA LYS A 60 -7.730 -3.112 3.579 1.00 0.00 C ATOM 903 C LYS A 60 -6.844 -2.506 4.674 1.00 0.00 C ATOM 904 O LYS A 60 -7.076 -1.404 5.149 1.00 0.00 O ATOM 905 CB LYS A 60 -8.759 -4.073 4.183 1.00 0.00 C ATOM 906 CG LYS A 60 -9.813 -3.280 4.967 1.00 0.00 C ATOM 907 CD LYS A 60 -9.389 -3.176 6.439 1.00 0.00 C ATOM 908 CE LYS A 60 -9.859 -1.837 7.021 1.00 0.00 C ATOM 909 NZ LYS A 60 -8.648 -0.959 7.017 1.00 0.00 N ATOM 0 H LYS A 60 -6.898 -4.952 2.872 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.222 -2.293 3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.239 -4.651 3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.262 -4.785 4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.926 -2.284 4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.783 -3.771 4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.816 -4.001 7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.305 -3.259 6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.659 -1.406 6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.251 -1.963 8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.933 0.026 7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.994 -1.266 7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.174 -1.025 6.094 1.00 0.00 H new ATOM 923 N THR A 61 -5.802 -3.212 5.040 1.00 0.00 N ATOM 924 CA THR A 61 -4.847 -2.713 6.058 1.00 0.00 C ATOM 925 C THR A 61 -3.753 -1.938 5.318 1.00 0.00 C ATOM 926 O THR A 61 -3.138 -1.041 5.850 1.00 0.00 O ATOM 927 CB THR A 61 -4.303 -3.989 6.731 1.00 0.00 C ATOM 928 OG1 THR A 61 -5.004 -4.233 7.943 1.00 0.00 O ATOM 929 CG2 THR A 61 -2.819 -3.839 7.036 1.00 0.00 C ATOM 0 H THR A 61 -5.575 -4.132 4.663 1.00 0.00 H new ATOM 0 HA THR A 61 -5.277 -2.044 6.803 1.00 0.00 H new ATOM 0 HB THR A 61 -4.446 -4.826 6.047 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.725 -3.581 8.619 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.451 -4.749 7.511 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.272 -3.667 6.109 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.669 -2.993 7.707 1.00 0.00 H new ATOM 937 N LEU A 62 -3.561 -2.253 4.059 1.00 0.00 N ATOM 938 CA LEU A 62 -2.561 -1.522 3.227 1.00 0.00 C ATOM 939 C LEU A 62 -3.154 -0.151 2.907 1.00 0.00 C ATOM 940 O LEU A 62 -2.453 0.830 2.753 1.00 0.00 O ATOM 941 CB LEU A 62 -2.388 -2.354 1.940 1.00 0.00 C ATOM 942 CG LEU A 62 -1.395 -3.506 2.164 1.00 0.00 C ATOM 943 CD1 LEU A 62 -1.779 -4.708 1.287 1.00 0.00 C ATOM 944 CD2 LEU A 62 0.010 -3.050 1.778 1.00 0.00 C ATOM 0 H LEU A 62 -4.062 -2.995 3.570 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.599 -1.388 3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.353 -2.755 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.033 -1.714 1.133 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.421 -3.794 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.070 -5.520 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.782 -5.044 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.757 -4.414 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.714 -3.867 1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.022 -2.759 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.298 -2.198 2.394 1.00 0.00 H new ATOM 956 N GLN A 63 -4.463 -0.080 2.865 1.00 0.00 N ATOM 957 CA GLN A 63 -5.141 1.222 2.615 1.00 0.00 C ATOM 958 C GLN A 63 -5.255 1.958 3.942 1.00 0.00 C ATOM 959 O GLN A 63 -5.203 3.167 4.004 1.00 0.00 O ATOM 960 CB GLN A 63 -6.532 0.875 2.088 1.00 0.00 C ATOM 961 CG GLN A 63 -7.194 2.149 1.550 1.00 0.00 C ATOM 962 CD GLN A 63 -8.697 1.929 1.366 1.00 0.00 C ATOM 963 OE1 GLN A 63 -9.119 1.334 0.399 1.00 0.00 O ATOM 964 NE2 GLN A 63 -9.526 2.385 2.255 1.00 0.00 N ATOM 0 H GLN A 63 -5.090 -0.874 2.994 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.601 1.851 1.907 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.460 0.126 1.299 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.139 0.442 2.883 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.022 2.975 2.240 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.741 2.428 0.599 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.174 2.886 3.071 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -10.529 2.242 2.138 1.00 0.00 H new ATOM 973 N GLU A 64 -5.362 1.217 5.015 1.00 0.00 N ATOM 974 CA GLU A 64 -5.440 1.860 6.360 1.00 0.00 C ATOM 975 C GLU A 64 -4.024 2.220 6.805 1.00 0.00 C ATOM 976 O GLU A 64 -3.812 3.096 7.620 1.00 0.00 O ATOM 977 CB GLU A 64 -6.127 0.832 7.273 1.00 0.00 C ATOM 978 CG GLU A 64 -5.119 0.129 8.194 1.00 0.00 C ATOM 979 CD GLU A 64 -5.741 -1.148 8.778 1.00 0.00 C ATOM 980 OE1 GLU A 64 -6.965 -1.239 8.827 1.00 0.00 O ATOM 981 OE2 GLU A 64 -4.982 -2.027 9.147 1.00 0.00 O ATOM 0 H GLU A 64 -5.399 0.198 5.018 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.012 2.788 6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.886 1.330 7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.642 0.090 6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.216 -0.119 7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.822 0.800 9.000 1.00 0.00 H new ATOM 988 N ALA A 65 -3.050 1.600 6.196 1.00 0.00 N ATOM 989 CA ALA A 65 -1.636 1.943 6.493 1.00 0.00 C ATOM 990 C ALA A 65 -1.293 3.167 5.648 1.00 0.00 C ATOM 991 O ALA A 65 -0.506 4.008 6.032 1.00 0.00 O ATOM 992 CB ALA A 65 -0.811 0.724 6.065 1.00 0.00 C ATOM 0 H ALA A 65 -3.178 0.865 5.500 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.444 2.171 7.541 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.245 0.913 6.258 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.133 -0.150 6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.958 0.541 5.001 1.00 0.00 H new ATOM 998 N ILE A 66 -1.948 3.296 4.517 1.00 0.00 N ATOM 999 CA ILE A 66 -1.725 4.494 3.657 1.00 0.00 C ATOM 1000 C ILE A 66 -2.583 5.620 4.225 1.00 0.00 C ATOM 1001 O ILE A 66 -2.155 6.758 4.319 1.00 0.00 O ATOM 1002 CB ILE A 66 -2.168 4.103 2.243 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -1.120 3.179 1.613 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -2.298 5.362 1.381 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -1.642 2.648 0.276 1.00 0.00 C ATOM 0 H ILE A 66 -2.625 2.623 4.157 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.687 4.826 3.630 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.128 3.590 2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.187 3.721 1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.901 2.349 2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.613 5.083 0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.039 6.030 1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.335 5.870 1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.896 1.991 -0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.564 2.091 0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.839 3.484 -0.396 1.00 0.00 H new ATOM 1017 N ASP A 67 -3.777 5.290 4.671 1.00 0.00 N ATOM 1018 CA ASP A 67 -4.635 6.330 5.308 1.00 0.00 C ATOM 1019 C ASP A 67 -3.884 6.851 6.545 1.00 0.00 C ATOM 1020 O ASP A 67 -4.020 7.994 6.938 1.00 0.00 O ATOM 1021 CB ASP A 67 -5.938 5.616 5.708 1.00 0.00 C ATOM 1022 CG ASP A 67 -7.021 5.856 4.649 1.00 0.00 C ATOM 1023 OD1 ASP A 67 -7.312 7.011 4.374 1.00 0.00 O ATOM 1024 OD2 ASP A 67 -7.552 4.879 4.139 1.00 0.00 O ATOM 0 H ASP A 67 -4.185 4.356 4.620 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.857 7.174 4.655 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.756 4.547 5.817 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.279 5.982 6.677 1.00 0.00 H new ATOM 1029 N ASP A 68 -3.056 6.005 7.135 1.00 0.00 N ATOM 1030 CA ASP A 68 -2.248 6.425 8.326 1.00 0.00 C ATOM 1031 C ASP A 68 -1.147 7.411 7.891 1.00 0.00 C ATOM 1032 O ASP A 68 -0.900 8.409 8.546 1.00 0.00 O ATOM 1033 CB ASP A 68 -1.638 5.118 8.853 1.00 0.00 C ATOM 1034 CG ASP A 68 -0.754 5.395 10.069 1.00 0.00 C ATOM 1035 OD1 ASP A 68 -1.292 5.450 11.162 1.00 0.00 O ATOM 1036 OD2 ASP A 68 0.449 5.528 9.889 1.00 0.00 O ATOM 0 H ASP A 68 -2.909 5.041 6.837 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.841 6.934 9.086 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.432 4.422 9.124 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.050 4.642 8.069 1.00 0.00 H new ATOM 1041 N MET A 69 -0.489 7.135 6.786 1.00 0.00 N ATOM 1042 CA MET A 69 0.596 8.047 6.287 1.00 0.00 C ATOM 1043 C MET A 69 0.078 9.487 6.129 1.00 0.00 C ATOM 1044 O MET A 69 0.707 10.430 6.571 1.00 0.00 O ATOM 1045 CB MET A 69 1.003 7.477 4.924 1.00 0.00 C ATOM 1046 CG MET A 69 2.337 6.741 5.050 1.00 0.00 C ATOM 1047 SD MET A 69 2.053 5.112 5.783 1.00 0.00 S ATOM 1048 CE MET A 69 1.918 4.180 4.239 1.00 0.00 C ATOM 0 H MET A 69 -0.658 6.313 6.206 1.00 0.00 H new ATOM 0 HA MET A 69 1.433 8.092 6.984 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.234 6.796 4.560 1.00 0.00 H new ATOM 0 HB3 MET A 69 1.088 8.281 4.193 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.801 6.636 4.070 1.00 0.00 H new ATOM 0 HG3 MET A 69 3.026 7.316 5.669 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.354 3.264 4.415 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.403 4.785 3.493 1.00 0.00 H new ATOM 0 HE3 MET A 69 2.915 3.929 3.877 1.00 0.00 H new ATOM 1058 N GLY A 70 -1.060 9.663 5.499 1.00 0.00 N ATOM 1059 CA GLY A 70 -1.614 11.048 5.318 1.00 0.00 C ATOM 1060 C GLY A 70 -1.787 11.369 3.829 1.00 0.00 C ATOM 1061 O GLY A 70 -1.473 12.455 3.380 1.00 0.00 O ATOM 0 H GLY A 70 -1.628 8.914 5.104 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.574 11.131 5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.945 11.776 5.777 1.00 0.00 H new ATOM 1065 N PHE A 71 -2.292 10.436 3.066 1.00 0.00 N ATOM 1066 CA PHE A 71 -2.501 10.674 1.605 1.00 0.00 C ATOM 1067 C PHE A 71 -3.773 9.945 1.151 1.00 0.00 C ATOM 1068 O PHE A 71 -3.946 8.774 1.434 1.00 0.00 O ATOM 1069 CB PHE A 71 -1.265 10.073 0.918 1.00 0.00 C ATOM 1070 CG PHE A 71 -0.063 10.984 1.086 1.00 0.00 C ATOM 1071 CD1 PHE A 71 0.194 11.984 0.142 1.00 0.00 C ATOM 1072 CD2 PHE A 71 0.802 10.817 2.177 1.00 0.00 C ATOM 1073 CE1 PHE A 71 1.313 12.818 0.288 1.00 0.00 C ATOM 1074 CE2 PHE A 71 1.919 11.651 2.323 1.00 0.00 C ATOM 1075 CZ PHE A 71 2.173 12.649 1.377 1.00 0.00 C ATOM 0 H PHE A 71 -2.571 9.511 3.394 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.620 11.730 1.364 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.047 9.093 1.342 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.469 9.923 -0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.470 12.114 -0.700 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.607 10.044 2.906 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.510 13.590 -0.441 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.583 11.523 3.165 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.035 13.290 1.488 1.00 0.00 H new ATOM 1085 N ASP A 72 -4.659 10.622 0.455 1.00 0.00 N ATOM 1086 CA ASP A 72 -5.921 9.958 -0.013 1.00 0.00 C ATOM 1087 C ASP A 72 -5.594 8.602 -0.656 1.00 0.00 C ATOM 1088 O ASP A 72 -4.896 8.527 -1.654 1.00 0.00 O ATOM 1089 CB ASP A 72 -6.516 10.923 -1.042 1.00 0.00 C ATOM 1090 CG ASP A 72 -8.017 10.673 -1.176 1.00 0.00 C ATOM 1091 OD1 ASP A 72 -8.383 9.802 -1.945 1.00 0.00 O ATOM 1092 OD2 ASP A 72 -8.772 11.359 -0.509 1.00 0.00 O ATOM 0 H ASP A 72 -4.563 11.603 0.191 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.617 9.759 0.802 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.335 11.953 -0.735 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.028 10.787 -2.007 1.00 0.00 H new ATOM 1097 N ALA A 73 -6.070 7.530 -0.075 1.00 0.00 N ATOM 1098 CA ALA A 73 -5.764 6.178 -0.634 1.00 0.00 C ATOM 1099 C ALA A 73 -7.005 5.537 -1.271 1.00 0.00 C ATOM 1100 O ALA A 73 -8.125 5.767 -0.860 1.00 0.00 O ATOM 1101 CB ALA A 73 -5.299 5.357 0.573 1.00 0.00 C ATOM 0 H ALA A 73 -6.656 7.532 0.760 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.014 6.230 -1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.052 4.345 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.417 5.823 1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.096 5.318 1.315 1.00 0.00 H new ATOM 1107 N VAL A 74 -6.792 4.716 -2.266 1.00 0.00 N ATOM 1108 CA VAL A 74 -7.916 4.014 -2.956 1.00 0.00 C ATOM 1109 C VAL A 74 -7.361 2.724 -3.582 1.00 0.00 C ATOM 1110 O VAL A 74 -6.803 2.708 -4.666 1.00 0.00 O ATOM 1111 CB VAL A 74 -8.465 4.997 -4.012 1.00 0.00 C ATOM 1112 CG1 VAL A 74 -7.323 5.755 -4.689 1.00 0.00 C ATOM 1113 CG2 VAL A 74 -9.258 4.227 -5.071 1.00 0.00 C ATOM 0 H VAL A 74 -5.867 4.498 -2.637 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.725 3.728 -2.284 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.116 5.714 -3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.731 6.442 -5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.765 6.318 -3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.657 5.046 -5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.644 4.924 -5.815 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.606 3.501 -5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.089 3.706 -4.596 1.00 0.00 H new ATOM 1123 N ILE A 75 -7.466 1.653 -2.860 1.00 0.00 N ATOM 1124 CA ILE A 75 -6.928 0.351 -3.316 1.00 0.00 C ATOM 1125 C ILE A 75 -7.716 -0.227 -4.488 1.00 0.00 C ATOM 1126 O ILE A 75 -8.907 -0.025 -4.638 1.00 0.00 O ATOM 1127 CB ILE A 75 -7.055 -0.568 -2.101 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -8.542 -0.830 -1.803 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -6.396 0.084 -0.886 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -8.689 -1.635 -0.506 1.00 0.00 C ATOM 0 H ILE A 75 -7.916 1.625 -1.945 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.903 0.458 -3.672 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.557 -1.514 -2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.075 0.117 -1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.996 -1.375 -2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.490 -0.576 -0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.341 0.260 -1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.887 1.033 -0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.746 -1.814 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.173 -2.589 -0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.253 -1.075 0.321 1.00 0.00 H new ATOM 1142 N HIS A 76 -7.037 -0.977 -5.296 1.00 0.00 N ATOM 1143 CA HIS A 76 -7.686 -1.637 -6.465 1.00 0.00 C ATOM 1144 C HIS A 76 -7.768 -3.161 -6.237 1.00 0.00 C ATOM 1145 O HIS A 76 -8.004 -3.922 -7.155 1.00 0.00 O ATOM 1146 CB HIS A 76 -6.767 -1.321 -7.647 1.00 0.00 C ATOM 1147 CG HIS A 76 -7.198 -0.039 -8.301 1.00 0.00 C ATOM 1148 ND1 HIS A 76 -8.201 0.000 -9.254 1.00 0.00 N ATOM 1149 CD2 HIS A 76 -6.762 1.255 -8.162 1.00 0.00 C ATOM 1150 CE1 HIS A 76 -8.334 1.278 -9.651 1.00 0.00 C ATOM 1151 NE2 HIS A 76 -7.481 2.086 -9.015 1.00 0.00 N ATOM 0 H HIS A 76 -6.040 -1.168 -5.199 1.00 0.00 H new ATOM 0 HA HIS A 76 -8.705 -1.286 -6.630 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.736 -1.236 -7.304 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.797 -2.136 -8.370 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -8.741 -0.796 -9.593 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.979 1.579 -7.492 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -9.044 1.611 -10.394 1.00 0.00 H new ATOM 1159 N ASN A 77 -7.570 -3.611 -5.018 1.00 0.00 N ATOM 1160 CA ASN A 77 -7.632 -5.079 -4.733 1.00 0.00 C ATOM 1161 C ASN A 77 -8.484 -5.344 -3.479 1.00 0.00 C ATOM 1162 O ASN A 77 -8.400 -4.612 -2.510 1.00 0.00 O ATOM 1163 CB ASN A 77 -6.175 -5.499 -4.482 1.00 0.00 C ATOM 1164 CG ASN A 77 -5.353 -5.384 -5.771 1.00 0.00 C ATOM 1165 OD1 ASN A 77 -4.318 -4.751 -5.788 1.00 0.00 O ATOM 1166 ND2 ASN A 77 -5.764 -5.973 -6.856 1.00 0.00 N ATOM 0 H ASN A 77 -7.368 -3.023 -4.209 1.00 0.00 H new ATOM 0 HA ASN A 77 -8.086 -5.636 -5.553 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.737 -4.869 -3.707 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.144 -6.525 -4.114 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.217 -5.901 -7.714 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.633 -6.507 -6.849 1.00 0.00 H new ATOM 1173 N PRO A 78 -9.274 -6.393 -3.538 1.00 0.00 N ATOM 1174 CA PRO A 78 -10.136 -6.760 -2.388 1.00 0.00 C ATOM 1175 C PRO A 78 -9.317 -7.496 -1.313 1.00 0.00 C ATOM 1176 O PRO A 78 -9.316 -7.112 -0.156 1.00 0.00 O ATOM 1177 CB PRO A 78 -11.182 -7.685 -3.005 1.00 0.00 C ATOM 1178 CG PRO A 78 -10.536 -8.260 -4.231 1.00 0.00 C ATOM 1179 CD PRO A 78 -9.442 -7.313 -4.669 1.00 0.00 C ATOM 0 HA PRO A 78 -10.578 -5.896 -1.892 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.470 -8.472 -2.308 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.089 -7.137 -3.260 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -10.124 -9.246 -4.018 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.271 -8.387 -5.026 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -8.517 -7.848 -4.885 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -9.721 -6.778 -5.577 1.00 0.00 H new ATOM 1187 N ASP A 79 -8.627 -8.546 -1.686 1.00 0.00 N ATOM 1188 CA ASP A 79 -7.815 -9.313 -0.706 1.00 0.00 C ATOM 1189 C ASP A 79 -6.376 -9.502 -1.224 1.00 0.00 C ATOM 1190 O ASP A 79 -6.210 -9.721 -2.416 1.00 0.00 O ATOM 1191 CB ASP A 79 -8.533 -10.663 -0.580 1.00 0.00 C ATOM 1192 CG ASP A 79 -9.994 -10.453 -0.166 1.00 0.00 C ATOM 1193 OD1 ASP A 79 -10.239 -10.316 1.021 1.00 0.00 O ATOM 1194 OD2 ASP A 79 -10.846 -10.442 -1.043 1.00 0.00 O ATOM 1195 OXT ASP A 79 -5.460 -9.418 -0.420 1.00 0.00 O ATOM 0 H ASP A 79 -8.595 -8.904 -2.641 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.730 -8.802 0.253 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.490 -11.195 -1.530 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.025 -11.285 0.157 1.00 0.00 H new TER 1200 ASP A 79 HETATM 1201 CU CU1 A 85 6.178 15.192 -1.746 1.00 0.00 CU