USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC H2D : A 105 HEC O2D : A 105 HEC CGD :(short bond) USER MOD Set 1.1: A 52 ASN : amide:sc= 0.263 K(o=2.8,f=0.31!) USER MOD Set 1.2: A 67 TYR OH : rot -126:sc= 1.12 USER MOD Set 1.3: A 78 THR OG1 : rot 80:sc= 1.46 USER MOD Set 2.1: A 58 THR OG1 : rot -150:sc= 1.08 USER MOD Set 2.2: A 60 LYS NZ :NH3+ -169:sc= 1.18 (180deg=0) USER MOD Set 3.1: A 54 ASN : amide:sc= 1.05 K(o=2.1,f=-9.3!) USER MOD Set 3.2: A 55 LYS NZ :NH3+ -108:sc= 1.09 (180deg=0) USER MOD Set 4.1: A 40 THR OG1 : rot 82:sc= 2.13 USER MOD Set 4.2: A 48 TYR OH : rot -117:sc= 0.282 USER MOD Single : A 1 GLY N :NH3+ -175:sc= 1.58 (180deg=0.869) USER MOD Single : A 5 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0875) USER MOD Single : A 7 LYS NZ :NH3+ 176:sc= 2.01 (180deg=1.62) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc=-0.00671 K(o=-0.0067,f=-1.2) USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= 1.21 (180deg=1.06) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0392 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= 1.14 (180deg=-0.535) USER MOD Single : A 26 HIS : no HD1:sc= -0.476 X(o=-0.48,f=-0.43) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc=-0.00079 (180deg=-0.0598) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0434 K(o=-0.043,f=-1.1) USER MOD Single : A 33 HIS : no HD1:sc= -0.0905 X(o=-0.091,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.211 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 13:sc= 0.256 USER MOD Single : A 65 MET CE :methyl -123:sc= -0.0972 (180deg=-0.382) USER MOD Single : A 70 ASN : amide:sc= -0.501 K(o=-0.5,f=-2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 0:sc= -0.0779 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 177:sc= -0.256 (180deg=-0.272) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 156:sc=-0.00749 (180deg=-0.615) USER MOD Single : A 89 THR OG1 : rot 103:sc= 0.134 USER MOD Single : A 97 TYR OH : rot -171:sc= 0.589 USER MOD Single : A 99 LYS NZ :NH3+ 170:sc= 1.21 (180deg=1.04) USER MOD Single : A 100 LYS NZ :NH3+ 169:sc= 0.225 (180deg=-0.0375) USER MOD Single : A 102 THR OG1 : rot -90:sc= 1.12 USER MOD Single : A 103 ASN : amide:sc= -0.202 K(o=-0.2,f=-0.73) USER MOD Single : A 105 HEC O2A : rot 156:sc= 0.396 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.983 9.037 6.196 1.00 0.00 N ATOM 2 CA GLY A 1 -10.376 9.657 5.011 1.00 0.00 C ATOM 3 C GLY A 1 -10.146 11.149 5.196 1.00 0.00 C ATOM 4 O GLY A 1 -11.032 11.945 4.898 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.043 8.008 6.057 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.398 9.240 7.032 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.938 9.423 6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.426 9.169 4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.021 9.495 4.148 1.00 0.00 H new ATOM 10 N ASP A 2 -8.962 11.502 5.691 1.00 0.00 N ATOM 11 CA ASP A 2 -8.407 12.840 5.761 1.00 0.00 C ATOM 12 C ASP A 2 -7.013 12.742 5.127 1.00 0.00 C ATOM 13 O ASP A 2 -6.549 11.652 4.796 1.00 0.00 O ATOM 14 CB ASP A 2 -8.358 13.258 7.235 1.00 0.00 C ATOM 15 CG ASP A 2 -7.872 14.678 7.457 1.00 0.00 C ATOM 16 OD1 ASP A 2 -6.642 14.865 7.336 1.00 0.00 O ATOM 17 OD2 ASP A 2 -8.724 15.544 7.732 1.00 0.00 O ATOM 0 H ASP A 2 -8.325 10.807 6.080 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.994 13.592 5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.354 13.154 7.665 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.705 12.573 7.775 1.00 0.00 H new ATOM 22 N VAL A 3 -6.343 13.871 4.930 1.00 0.00 N ATOM 23 CA VAL A 3 -5.045 13.936 4.284 1.00 0.00 C ATOM 24 C VAL A 3 -3.914 13.787 5.306 1.00 0.00 C ATOM 25 O VAL A 3 -2.874 13.199 5.005 1.00 0.00 O ATOM 26 CB VAL A 3 -4.987 15.217 3.429 1.00 0.00 C ATOM 27 CG1 VAL A 3 -5.115 16.509 4.249 1.00 0.00 C ATOM 28 CG2 VAL A 3 -3.709 15.277 2.597 1.00 0.00 C ATOM 0 H VAL A 3 -6.696 14.782 5.222 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.901 13.096 3.604 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.854 15.157 2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.066 17.370 3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.069 16.512 4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.301 16.563 4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.702 16.193 2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.843 15.265 3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.668 14.416 1.930 1.00 0.00 H new ATOM 38 N GLU A 4 -4.136 14.281 6.525 1.00 0.00 N ATOM 39 CA GLU A 4 -3.207 14.175 7.633 1.00 0.00 C ATOM 40 C GLU A 4 -3.415 12.843 8.335 1.00 0.00 C ATOM 41 O GLU A 4 -2.455 12.102 8.567 1.00 0.00 O ATOM 42 CB GLU A 4 -3.470 15.319 8.615 1.00 0.00 C ATOM 43 CG GLU A 4 -2.841 16.629 8.125 1.00 0.00 C ATOM 44 CD GLU A 4 -1.330 16.614 8.336 1.00 0.00 C ATOM 45 OE1 GLU A 4 -0.922 16.930 9.475 1.00 0.00 O ATOM 46 OE2 GLU A 4 -0.612 16.239 7.382 1.00 0.00 O ATOM 0 H GLU A 4 -4.993 14.778 6.768 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.182 14.235 7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.544 15.454 8.741 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.064 15.062 9.593 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.064 16.772 7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.280 17.471 8.660 1.00 0.00 H new ATOM 53 N LYS A 5 -4.668 12.542 8.704 1.00 0.00 N ATOM 54 CA LYS A 5 -4.906 11.337 9.486 1.00 0.00 C ATOM 55 C LYS A 5 -4.453 10.115 8.708 1.00 0.00 C ATOM 56 O LYS A 5 -3.877 9.221 9.314 1.00 0.00 O ATOM 57 CB LYS A 5 -6.339 11.156 9.997 1.00 0.00 C ATOM 58 CG LYS A 5 -6.686 12.114 11.142 1.00 0.00 C ATOM 59 CD LYS A 5 -7.685 11.418 12.082 1.00 0.00 C ATOM 60 CE LYS A 5 -7.992 12.226 13.349 1.00 0.00 C ATOM 61 NZ LYS A 5 -6.796 12.421 14.197 1.00 0.00 N ATOM 0 H LYS A 5 -5.496 13.094 8.482 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.309 11.458 10.390 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.036 11.313 9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.472 10.129 10.336 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.785 12.392 11.688 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.117 13.034 10.747 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.614 11.235 11.542 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.286 10.445 12.368 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.397 13.198 13.067 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.763 11.714 13.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.080 12.836 15.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.335 11.504 14.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.131 13.061 13.717 1.00 0.00 H new ATOM 75 N GLY A 6 -4.628 10.097 7.386 1.00 0.00 N ATOM 76 CA GLY A 6 -4.153 8.977 6.592 1.00 0.00 C ATOM 77 C GLY A 6 -2.668 8.750 6.853 1.00 0.00 C ATOM 78 O GLY A 6 -2.252 7.633 7.152 1.00 0.00 O ATOM 0 H GLY A 6 -5.089 10.836 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.717 8.078 6.841 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.319 9.174 5.533 1.00 0.00 H new ATOM 82 N LYS A 7 -1.872 9.820 6.784 1.00 0.00 N ATOM 83 CA LYS A 7 -0.424 9.735 6.876 1.00 0.00 C ATOM 84 C LYS A 7 0.041 9.393 8.284 1.00 0.00 C ATOM 85 O LYS A 7 0.984 8.621 8.465 1.00 0.00 O ATOM 86 CB LYS A 7 0.234 10.927 6.166 1.00 0.00 C ATOM 87 CG LYS A 7 0.876 12.032 6.990 1.00 0.00 C ATOM 88 CD LYS A 7 1.073 13.251 6.056 1.00 0.00 C ATOM 89 CE LYS A 7 2.242 14.198 6.387 1.00 0.00 C ATOM 90 NZ LYS A 7 3.464 13.965 5.563 1.00 0.00 N ATOM 0 H LYS A 7 -2.221 10.771 6.662 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.055 8.877 6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.001 10.528 5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.525 11.390 5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.243 12.296 7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.832 11.702 7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.212 12.881 5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.152 13.834 6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.913 15.228 6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.500 14.086 7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.181 14.681 5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.843 13.018 5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.221 14.033 4.554 1.00 0.00 H new ATOM 104 N LYS A 8 -0.677 9.900 9.284 1.00 0.00 N ATOM 105 CA LYS A 8 -0.383 9.603 10.673 1.00 0.00 C ATOM 106 C LYS A 8 -0.655 8.128 10.955 1.00 0.00 C ATOM 107 O LYS A 8 0.190 7.431 11.514 1.00 0.00 O ATOM 108 CB LYS A 8 -1.208 10.519 11.591 1.00 0.00 C ATOM 109 CG LYS A 8 -0.380 11.640 12.241 1.00 0.00 C ATOM 110 CD LYS A 8 0.335 11.187 13.531 1.00 0.00 C ATOM 111 CE LYS A 8 1.804 10.761 13.370 1.00 0.00 C ATOM 112 NZ LYS A 8 2.708 11.909 13.144 1.00 0.00 N ATOM 0 H LYS A 8 -1.473 10.524 9.150 1.00 0.00 H new ATOM 0 HA LYS A 8 0.671 9.793 10.875 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.018 10.964 11.014 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.668 9.917 12.374 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.362 11.998 11.527 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.034 12.482 12.470 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.290 12.002 14.254 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.221 10.352 13.957 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.122 10.223 14.263 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.888 10.067 12.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.685 11.567 13.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.424 12.409 12.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.652 12.560 13.953 1.00 0.00 H new ATOM 126 N ILE A 9 -1.847 7.663 10.581 1.00 0.00 N ATOM 127 CA ILE A 9 -2.335 6.330 10.872 1.00 0.00 C ATOM 128 C ILE A 9 -1.465 5.326 10.124 1.00 0.00 C ATOM 129 O ILE A 9 -1.032 4.311 10.671 1.00 0.00 O ATOM 130 CB ILE A 9 -3.807 6.270 10.441 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.678 7.025 11.463 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.289 4.826 10.311 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.139 7.160 11.023 1.00 0.00 C ATOM 0 H ILE A 9 -2.513 8.226 10.052 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.279 6.087 11.933 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.896 6.743 9.463 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.639 6.504 12.420 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.260 8.019 11.624 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.335 4.818 10.004 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.688 4.308 9.564 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.188 4.321 11.272 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.700 7.701 11.785 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.186 7.707 10.081 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.572 6.169 10.889 1.00 0.00 H new ATOM 145 N PHE A 10 -1.218 5.631 8.854 1.00 0.00 N ATOM 146 CA PHE A 10 -0.301 4.891 8.022 1.00 0.00 C ATOM 147 C PHE A 10 1.026 4.714 8.739 1.00 0.00 C ATOM 148 O PHE A 10 1.434 3.595 9.022 1.00 0.00 O ATOM 149 CB PHE A 10 -0.116 5.690 6.725 1.00 0.00 C ATOM 150 CG PHE A 10 1.029 5.253 5.852 1.00 0.00 C ATOM 151 CD1 PHE A 10 2.321 5.733 6.088 1.00 0.00 C ATOM 152 CD2 PHE A 10 0.840 4.224 4.935 1.00 0.00 C ATOM 153 CE1 PHE A 10 3.432 5.095 5.540 1.00 0.00 C ATOM 154 CE2 PHE A 10 1.944 3.583 4.364 1.00 0.00 C ATOM 155 CZ PHE A 10 3.242 3.985 4.705 1.00 0.00 C ATOM 0 H PHE A 10 -1.662 6.414 8.374 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.690 3.897 7.801 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.037 5.626 6.145 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.026 6.739 6.983 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.460 6.610 6.703 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.160 3.920 4.664 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.428 5.452 5.756 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.796 2.778 3.660 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.094 3.441 4.325 1.00 0.00 H new ATOM 165 N VAL A 11 1.712 5.811 9.052 1.00 0.00 N ATOM 166 CA VAL A 11 3.003 5.708 9.688 1.00 0.00 C ATOM 167 C VAL A 11 2.881 4.888 10.985 1.00 0.00 C ATOM 168 O VAL A 11 3.759 4.084 11.287 1.00 0.00 O ATOM 169 CB VAL A 11 3.616 7.112 9.864 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.615 7.150 11.018 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.301 7.643 8.597 1.00 0.00 C ATOM 0 H VAL A 11 1.393 6.764 8.875 1.00 0.00 H new ATOM 0 HA VAL A 11 3.705 5.161 9.059 1.00 0.00 H new ATOM 0 HB VAL A 11 2.769 7.762 10.085 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.026 8.155 11.111 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.111 6.877 11.945 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.423 6.445 10.823 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.710 8.634 8.793 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.107 6.968 8.309 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.573 7.704 7.788 1.00 0.00 H new ATOM 181 N GLN A 12 1.776 5.052 11.720 1.00 0.00 N ATOM 182 CA GLN A 12 1.457 4.228 12.880 1.00 0.00 C ATOM 183 C GLN A 12 1.543 2.724 12.565 1.00 0.00 C ATOM 184 O GLN A 12 2.178 2.001 13.331 1.00 0.00 O ATOM 185 CB GLN A 12 0.082 4.623 13.457 1.00 0.00 C ATOM 186 CG GLN A 12 0.130 5.075 14.922 1.00 0.00 C ATOM 187 CD GLN A 12 0.263 3.922 15.914 1.00 0.00 C ATOM 188 OE1 GLN A 12 0.083 2.760 15.571 1.00 0.00 O ATOM 189 NE2 GLN A 12 0.548 4.241 17.174 1.00 0.00 N ATOM 0 H GLN A 12 1.076 5.767 11.521 1.00 0.00 H new ATOM 0 HA GLN A 12 2.210 4.419 13.645 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.338 5.427 12.852 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.595 3.773 13.371 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.970 5.757 15.056 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.776 5.637 15.150 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.693 5.217 17.433 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.621 3.510 17.881 1.00 0.00 H new ATOM 198 N LYS A 13 0.908 2.235 11.484 1.00 0.00 N ATOM 199 CA LYS A 13 0.767 0.792 11.272 1.00 0.00 C ATOM 200 C LYS A 13 0.971 0.303 9.830 1.00 0.00 C ATOM 201 O LYS A 13 0.424 -0.726 9.429 1.00 0.00 O ATOM 202 CB LYS A 13 -0.532 0.311 11.926 1.00 0.00 C ATOM 203 CG LYS A 13 -1.804 1.118 11.657 1.00 0.00 C ATOM 204 CD LYS A 13 -2.234 1.018 10.191 1.00 0.00 C ATOM 205 CE LYS A 13 -3.755 1.157 10.042 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.531 0.026 10.605 1.00 0.00 N ATOM 0 H LYS A 13 0.491 2.814 10.755 1.00 0.00 H new ATOM 0 HA LYS A 13 1.609 0.313 11.771 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.711 -0.715 11.603 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.374 0.283 13.004 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.608 0.756 12.298 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.635 2.163 11.917 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.738 1.796 9.611 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.913 0.061 9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.073 2.078 10.530 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.997 1.257 8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.540 0.156 10.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.199 -0.866 10.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.399 -0.006 11.636 1.00 0.00 H new ATOM 220 N CYS A 14 1.818 0.998 9.075 1.00 0.00 N ATOM 221 CA CYS A 14 2.299 0.598 7.759 1.00 0.00 C ATOM 222 C CYS A 14 3.814 0.842 7.691 1.00 0.00 C ATOM 223 O CYS A 14 4.559 -0.026 7.244 1.00 0.00 O ATOM 224 CB CYS A 14 1.628 1.369 6.645 1.00 0.00 C ATOM 225 SG CYS A 14 -0.182 1.585 6.671 1.00 0.00 S ATOM 0 H CYS A 14 2.203 1.893 9.378 1.00 0.00 H new ATOM 0 HA CYS A 14 2.061 -0.457 7.623 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.076 2.362 6.619 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.886 0.878 5.706 1.00 0.00 H new ATOM 230 N ALA A 15 4.287 2.021 8.126 1.00 0.00 N ATOM 231 CA ALA A 15 5.685 2.441 7.984 1.00 0.00 C ATOM 232 C ALA A 15 6.716 1.447 8.491 1.00 0.00 C ATOM 233 O ALA A 15 7.788 1.360 7.901 1.00 0.00 O ATOM 234 CB ALA A 15 5.943 3.786 8.633 1.00 0.00 C ATOM 0 H ALA A 15 3.701 2.715 8.591 1.00 0.00 H new ATOM 0 HA ALA A 15 5.816 2.508 6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.991 4.057 8.504 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.312 4.542 8.166 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.712 3.727 9.697 1.00 0.00 H new ATOM 240 N GLN A 16 6.424 0.711 9.568 1.00 0.00 N ATOM 241 CA GLN A 16 7.310 -0.340 10.047 1.00 0.00 C ATOM 242 C GLN A 16 7.807 -1.218 8.891 1.00 0.00 C ATOM 243 O GLN A 16 8.959 -1.650 8.883 1.00 0.00 O ATOM 244 CB GLN A 16 6.583 -1.195 11.093 1.00 0.00 C ATOM 245 CG GLN A 16 7.592 -1.617 12.161 1.00 0.00 C ATOM 246 CD GLN A 16 7.118 -2.827 12.956 1.00 0.00 C ATOM 247 OE1 GLN A 16 6.604 -2.695 14.060 1.00 0.00 O ATOM 248 NE2 GLN A 16 7.299 -4.022 12.401 1.00 0.00 N ATOM 0 H GLN A 16 5.576 0.829 10.122 1.00 0.00 H new ATOM 0 HA GLN A 16 8.181 0.128 10.507 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.768 -0.629 11.544 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.140 -2.073 10.623 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.546 -1.848 11.686 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.768 -0.784 12.841 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.730 -4.096 11.480 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.006 -4.864 12.897 1.00 0.00 H new ATOM 257 N CYS A 17 6.917 -1.471 7.928 1.00 0.00 N ATOM 258 CA CYS A 17 7.192 -2.204 6.712 1.00 0.00 C ATOM 259 C CYS A 17 7.524 -1.249 5.552 1.00 0.00 C ATOM 260 O CYS A 17 8.413 -1.571 4.766 1.00 0.00 O ATOM 261 CB CYS A 17 6.021 -3.104 6.398 1.00 0.00 C ATOM 262 SG CYS A 17 5.649 -4.240 7.777 1.00 0.00 S ATOM 0 H CYS A 17 5.949 -1.154 7.987 1.00 0.00 H new ATOM 0 HA CYS A 17 8.074 -2.829 6.854 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.143 -2.496 6.182 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.238 -3.682 5.500 1.00 0.00 H new ATOM 267 N HIS A 18 6.833 -0.100 5.437 1.00 0.00 N ATOM 268 CA HIS A 18 6.826 0.762 4.252 1.00 0.00 C ATOM 269 C HIS A 18 7.239 2.198 4.570 1.00 0.00 C ATOM 270 O HIS A 18 6.374 3.052 4.746 1.00 0.00 O ATOM 271 CB HIS A 18 5.396 0.844 3.709 1.00 0.00 C ATOM 272 CG HIS A 18 4.883 -0.415 3.098 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.094 -0.784 1.794 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.836 -1.143 3.586 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.199 -1.735 1.509 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.433 -2.020 2.569 1.00 0.00 N ATOM 0 H HIS A 18 6.248 0.260 6.191 1.00 0.00 H new ATOM 0 HA HIS A 18 7.531 0.328 3.543 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.730 1.133 4.522 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.351 1.637 2.963 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.799 -0.405 1.162 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.400 -1.059 4.571 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.106 -2.213 0.545 1.00 0.00 H new ATOM 284 N THR A 19 8.522 2.541 4.588 1.00 0.00 N ATOM 285 CA THR A 19 8.911 3.888 4.982 1.00 0.00 C ATOM 286 C THR A 19 8.780 4.924 3.840 1.00 0.00 C ATOM 287 O THR A 19 9.735 5.620 3.494 1.00 0.00 O ATOM 288 CB THR A 19 10.289 3.805 5.644 1.00 0.00 C ATOM 289 OG1 THR A 19 11.198 3.050 4.855 1.00 0.00 O ATOM 290 CG2 THR A 19 10.206 3.113 7.008 1.00 0.00 C ATOM 0 H THR A 19 9.294 1.921 4.341 1.00 0.00 H new ATOM 0 HA THR A 19 8.211 4.283 5.718 1.00 0.00 H new ATOM 0 HB THR A 19 10.637 4.832 5.752 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.069 3.016 5.302 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.199 3.068 7.454 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.539 3.676 7.662 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.820 2.102 6.880 1.00 0.00 H new ATOM 298 N VAL A 20 7.574 5.075 3.276 1.00 0.00 N ATOM 299 CA VAL A 20 7.231 6.064 2.272 1.00 0.00 C ATOM 300 C VAL A 20 6.909 7.412 2.932 1.00 0.00 C ATOM 301 O VAL A 20 5.812 7.629 3.450 1.00 0.00 O ATOM 302 CB VAL A 20 6.090 5.536 1.387 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.764 5.382 2.135 1.00 0.00 C ATOM 304 CG2 VAL A 20 5.893 6.465 0.190 1.00 0.00 C ATOM 0 H VAL A 20 6.784 4.480 3.525 1.00 0.00 H new ATOM 0 HA VAL A 20 8.086 6.240 1.619 1.00 0.00 H new ATOM 0 HB VAL A 20 6.387 4.540 1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.002 5.006 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.891 4.680 2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.453 6.350 2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.084 6.087 -0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.642 7.465 0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.813 6.506 -0.394 1.00 0.00 H new ATOM 314 N GLU A 21 7.869 8.333 2.868 1.00 0.00 N ATOM 315 CA GLU A 21 7.630 9.759 3.047 1.00 0.00 C ATOM 316 C GLU A 21 8.744 10.498 2.305 1.00 0.00 C ATOM 317 O GLU A 21 8.491 11.432 1.551 1.00 0.00 O ATOM 318 CB GLU A 21 7.520 10.144 4.534 1.00 0.00 C ATOM 319 CG GLU A 21 6.638 11.395 4.688 1.00 0.00 C ATOM 320 CD GLU A 21 6.357 11.765 6.139 1.00 0.00 C ATOM 321 OE1 GLU A 21 7.260 11.547 6.974 1.00 0.00 O ATOM 322 OE2 GLU A 21 5.238 12.281 6.379 1.00 0.00 O ATOM 0 H GLU A 21 8.847 8.104 2.688 1.00 0.00 H new ATOM 0 HA GLU A 21 6.666 10.047 2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.095 9.317 5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.512 10.335 4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.125 12.236 4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.691 11.228 4.174 1.00 0.00 H new ATOM 329 N LYS A 22 9.985 10.016 2.463 1.00 0.00 N ATOM 330 CA LYS A 22 11.132 10.503 1.713 1.00 0.00 C ATOM 331 C LYS A 22 12.146 9.382 1.464 1.00 0.00 C ATOM 332 O LYS A 22 13.187 9.331 2.114 1.00 0.00 O ATOM 333 CB LYS A 22 11.745 11.702 2.445 1.00 0.00 C ATOM 334 CG LYS A 22 11.905 11.480 3.958 1.00 0.00 C ATOM 335 CD LYS A 22 13.096 12.276 4.508 1.00 0.00 C ATOM 336 CE LYS A 22 14.389 11.458 4.347 1.00 0.00 C ATOM 337 NZ LYS A 22 15.601 12.257 4.610 1.00 0.00 N ATOM 0 H LYS A 22 10.214 9.272 3.122 1.00 0.00 H new ATOM 0 HA LYS A 22 10.808 10.840 0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.721 11.921 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.119 12.578 2.279 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.993 11.782 4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.048 10.419 4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.187 13.225 3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.933 12.512 5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.364 10.607 5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.436 11.055 3.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.444 11.660 4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.642 13.054 3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.572 12.621 5.584 1.00 0.00 H new ATOM 351 N GLY A 23 11.856 8.502 0.500 1.00 0.00 N ATOM 352 CA GLY A 23 12.824 7.542 -0.019 1.00 0.00 C ATOM 353 C GLY A 23 13.417 6.651 1.076 1.00 0.00 C ATOM 354 O GLY A 23 14.625 6.668 1.318 1.00 0.00 O ATOM 0 H GLY A 23 10.938 8.439 0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 23 12.342 6.916 -0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 23 13.629 8.079 -0.521 1.00 0.00 H new ATOM 358 N GLY A 24 12.557 5.868 1.731 1.00 0.00 N ATOM 359 CA GLY A 24 12.945 5.014 2.840 1.00 0.00 C ATOM 360 C GLY A 24 13.730 3.782 2.384 1.00 0.00 C ATOM 361 O GLY A 24 14.779 3.911 1.751 1.00 0.00 O ATOM 0 H GLY A 24 11.565 5.813 1.500 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.551 5.588 3.541 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.052 4.694 3.377 1.00 0.00 H new ATOM 365 N LYS A 25 13.284 2.583 2.763 1.00 0.00 N ATOM 366 CA LYS A 25 13.909 1.323 2.382 1.00 0.00 C ATOM 367 C LYS A 25 12.810 0.278 2.176 1.00 0.00 C ATOM 368 O LYS A 25 11.656 0.524 2.516 1.00 0.00 O ATOM 369 CB LYS A 25 14.939 0.869 3.436 1.00 0.00 C ATOM 370 CG LYS A 25 16.297 1.585 3.317 1.00 0.00 C ATOM 371 CD LYS A 25 16.403 2.811 4.241 1.00 0.00 C ATOM 372 CE LYS A 25 17.497 3.806 3.817 1.00 0.00 C ATOM 373 NZ LYS A 25 17.274 4.365 2.463 1.00 0.00 N ATOM 0 H LYS A 25 12.462 2.462 3.355 1.00 0.00 H new ATOM 0 HA LYS A 25 14.460 1.452 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.530 1.045 4.431 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.094 -0.206 3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.096 0.883 3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.449 1.899 2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.442 3.326 4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.604 2.474 5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.539 4.622 4.539 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.465 3.307 3.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.787 5.265 2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.621 3.693 1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.257 4.530 2.318 1.00 0.00 H new ATOM 387 N HIS A 26 13.177 -0.868 1.592 1.00 0.00 N ATOM 388 CA HIS A 26 12.251 -1.913 1.176 1.00 0.00 C ATOM 389 C HIS A 26 12.413 -3.121 2.100 1.00 0.00 C ATOM 390 O HIS A 26 12.849 -4.185 1.667 1.00 0.00 O ATOM 391 CB HIS A 26 12.527 -2.294 -0.286 1.00 0.00 C ATOM 392 CG HIS A 26 12.557 -1.135 -1.254 1.00 0.00 C ATOM 393 ND1 HIS A 26 13.549 -0.182 -1.345 1.00 0.00 N ATOM 394 CD2 HIS A 26 11.658 -0.883 -2.254 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.226 0.647 -2.351 1.00 0.00 C ATOM 396 NE2 HIS A 26 12.078 0.264 -2.932 1.00 0.00 N ATOM 0 H HIS A 26 14.151 -1.095 1.393 1.00 0.00 H new ATOM 0 HA HIS A 26 11.224 -1.555 1.245 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.484 -2.814 -0.336 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.763 -3.000 -0.612 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.778 -1.468 -2.480 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.810 1.504 -2.651 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.606 0.720 -3.713 1.00 0.00 H new ATOM 404 N LYS A 27 12.144 -2.937 3.394 1.00 0.00 N ATOM 405 CA LYS A 27 12.553 -3.905 4.407 1.00 0.00 C ATOM 406 C LYS A 27 11.575 -5.076 4.479 1.00 0.00 C ATOM 407 O LYS A 27 11.978 -6.226 4.320 1.00 0.00 O ATOM 408 CB LYS A 27 12.723 -3.210 5.769 1.00 0.00 C ATOM 409 CG LYS A 27 13.468 -4.071 6.803 1.00 0.00 C ATOM 410 CD LYS A 27 14.975 -4.156 6.495 1.00 0.00 C ATOM 411 CE LYS A 27 15.785 -4.865 7.592 1.00 0.00 C ATOM 412 NZ LYS A 27 15.767 -4.141 8.881 1.00 0.00 N ATOM 0 H LYS A 27 11.645 -2.127 3.762 1.00 0.00 H new ATOM 0 HA LYS A 27 13.520 -4.321 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.265 -2.275 5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.740 -2.952 6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.323 -3.651 7.798 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.042 -5.074 6.816 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.116 -4.684 5.552 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.367 -3.148 6.358 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.386 -5.869 7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.817 -4.978 7.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.435 -4.589 9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.045 -3.151 8.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.809 -4.173 9.284 1.00 0.00 H new ATOM 426 N THR A 28 10.303 -4.779 4.758 1.00 0.00 N ATOM 427 CA THR A 28 9.242 -5.781 4.860 1.00 0.00 C ATOM 428 C THR A 28 8.040 -5.348 4.015 1.00 0.00 C ATOM 429 O THR A 28 6.954 -5.894 4.164 1.00 0.00 O ATOM 430 CB THR A 28 8.864 -5.988 6.342 1.00 0.00 C ATOM 431 OG1 THR A 28 10.016 -5.902 7.159 1.00 0.00 O ATOM 432 CG2 THR A 28 8.212 -7.350 6.607 1.00 0.00 C ATOM 0 H THR A 28 9.979 -3.826 4.921 1.00 0.00 H new ATOM 0 HA THR A 28 9.591 -6.737 4.471 1.00 0.00 H new ATOM 0 HB THR A 28 8.146 -5.203 6.580 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.763 -6.033 8.097 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.969 -7.437 7.666 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.300 -7.438 6.017 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.903 -8.145 6.327 1.00 0.00 H new ATOM 440 N GLY A 29 8.233 -4.367 3.134 1.00 0.00 N ATOM 441 CA GLY A 29 7.205 -3.709 2.366 1.00 0.00 C ATOM 442 C GLY A 29 7.970 -2.718 1.492 1.00 0.00 C ATOM 443 O GLY A 29 8.955 -2.145 1.958 1.00 0.00 O ATOM 0 H GLY A 29 9.163 -3.999 2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.641 -4.420 1.762 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.489 -3.201 3.012 1.00 0.00 H new ATOM 447 N PRO A 30 7.629 -2.572 0.209 1.00 0.00 N ATOM 448 CA PRO A 30 8.388 -1.731 -0.698 1.00 0.00 C ATOM 449 C PRO A 30 8.063 -0.257 -0.460 1.00 0.00 C ATOM 450 O PRO A 30 6.947 0.085 -0.069 1.00 0.00 O ATOM 451 CB PRO A 30 8.000 -2.184 -2.108 1.00 0.00 C ATOM 452 CG PRO A 30 6.634 -2.840 -1.917 1.00 0.00 C ATOM 453 CD PRO A 30 6.647 -3.367 -0.488 1.00 0.00 C ATOM 0 HA PRO A 30 9.463 -1.828 -0.546 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.946 -1.342 -2.798 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.727 -2.886 -2.517 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.827 -2.122 -2.066 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.480 -3.646 -2.634 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.665 -3.271 -0.026 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.909 -4.425 -0.462 1.00 0.00 H new ATOM 461 N ASN A 31 9.027 0.627 -0.724 1.00 0.00 N ATOM 462 CA ASN A 31 8.785 2.061 -0.752 1.00 0.00 C ATOM 463 C ASN A 31 7.757 2.372 -1.845 1.00 0.00 C ATOM 464 O ASN A 31 8.094 2.414 -3.028 1.00 0.00 O ATOM 465 CB ASN A 31 10.098 2.810 -0.997 1.00 0.00 C ATOM 466 CG ASN A 31 9.851 4.308 -1.147 1.00 0.00 C ATOM 467 OD1 ASN A 31 8.887 4.846 -0.612 1.00 0.00 O ATOM 468 ND2 ASN A 31 10.714 5.003 -1.881 1.00 0.00 N ATOM 0 H ASN A 31 9.992 0.365 -0.923 1.00 0.00 H new ATOM 0 HA ASN A 31 8.388 2.391 0.208 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.783 2.632 -0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.579 2.425 -1.896 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.582 6.006 -2.009 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.508 4.533 -2.316 1.00 0.00 H new ATOM 475 N LEU A 32 6.504 2.560 -1.428 1.00 0.00 N ATOM 476 CA LEU A 32 5.326 2.666 -2.281 1.00 0.00 C ATOM 477 C LEU A 32 5.519 3.652 -3.442 1.00 0.00 C ATOM 478 O LEU A 32 5.078 3.369 -4.556 1.00 0.00 O ATOM 479 CB LEU A 32 4.115 3.066 -1.422 1.00 0.00 C ATOM 480 CG LEU A 32 3.767 2.083 -0.290 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.539 2.570 0.487 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.455 0.692 -0.842 1.00 0.00 C ATOM 0 H LEU A 32 6.275 2.646 -0.438 1.00 0.00 H new ATOM 0 HA LEU A 32 5.154 1.691 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.306 4.046 -0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.246 3.170 -2.072 1.00 0.00 H new ATOM 0 HG LEU A 32 4.635 2.031 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.308 1.862 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.747 3.548 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.687 2.646 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.213 0.020 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.606 0.753 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.324 0.310 -1.379 1.00 0.00 H new ATOM 494 N HIS A 33 6.161 4.793 -3.153 1.00 0.00 N ATOM 495 CA HIS A 33 6.515 5.897 -4.051 1.00 0.00 C ATOM 496 C HIS A 33 6.130 5.659 -5.520 1.00 0.00 C ATOM 497 O HIS A 33 6.905 5.104 -6.305 1.00 0.00 O ATOM 498 CB HIS A 33 8.009 6.205 -3.874 1.00 0.00 C ATOM 499 CG HIS A 33 8.518 7.422 -4.609 1.00 0.00 C ATOM 500 ND1 HIS A 33 9.845 7.706 -4.850 1.00 0.00 N ATOM 501 CD2 HIS A 33 7.780 8.472 -5.096 1.00 0.00 C ATOM 502 CE1 HIS A 33 9.900 8.894 -5.476 1.00 0.00 C ATOM 503 NE2 HIS A 33 8.668 9.394 -5.653 1.00 0.00 N ATOM 0 H HIS A 33 6.472 4.981 -2.200 1.00 0.00 H new ATOM 0 HA HIS A 33 5.923 6.768 -3.770 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.211 6.335 -2.811 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.581 5.338 -4.204 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.705 8.568 -5.056 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.811 9.379 -5.793 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.427 10.276 -6.106 1.00 0.00 H new ATOM 511 N GLY A 34 4.913 6.071 -5.880 1.00 0.00 N ATOM 512 CA GLY A 34 4.321 5.885 -7.193 1.00 0.00 C ATOM 513 C GLY A 34 2.866 5.449 -7.048 1.00 0.00 C ATOM 514 O GLY A 34 1.970 6.284 -7.111 1.00 0.00 O ATOM 0 H GLY A 34 4.294 6.562 -5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.377 6.813 -7.762 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.881 5.135 -7.751 1.00 0.00 H new ATOM 518 N LEU A 35 2.638 4.149 -6.837 1.00 0.00 N ATOM 519 CA LEU A 35 1.328 3.497 -6.801 1.00 0.00 C ATOM 520 C LEU A 35 0.400 3.879 -7.957 1.00 0.00 C ATOM 521 O LEU A 35 0.237 3.098 -8.887 1.00 0.00 O ATOM 522 CB LEU A 35 0.623 3.729 -5.464 1.00 0.00 C ATOM 523 CG LEU A 35 1.305 3.055 -4.273 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.599 3.527 -2.996 1.00 0.00 C ATOM 525 CD2 LEU A 35 1.222 1.528 -4.378 1.00 0.00 C ATOM 0 H LEU A 35 3.401 3.491 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 35 1.544 2.435 -6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.566 4.801 -5.277 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.401 3.363 -5.537 1.00 0.00 H new ATOM 0 HG LEU A 35 2.360 3.327 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.066 3.061 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.682 4.611 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.453 3.245 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.715 1.077 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.176 1.221 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.715 1.199 -5.293 1.00 0.00 H new ATOM 537 N PHE A 36 -0.229 5.051 -7.886 1.00 0.00 N ATOM 538 CA PHE A 36 -1.245 5.510 -8.815 1.00 0.00 C ATOM 539 C PHE A 36 -0.625 5.698 -10.196 1.00 0.00 C ATOM 540 O PHE A 36 -0.040 6.742 -10.472 1.00 0.00 O ATOM 541 CB PHE A 36 -1.871 6.802 -8.274 1.00 0.00 C ATOM 542 CG PHE A 36 -2.532 6.620 -6.918 1.00 0.00 C ATOM 543 CD1 PHE A 36 -3.769 5.958 -6.834 1.00 0.00 C ATOM 544 CD2 PHE A 36 -1.848 6.962 -5.736 1.00 0.00 C ATOM 545 CE1 PHE A 36 -4.316 5.639 -5.582 1.00 0.00 C ATOM 546 CE2 PHE A 36 -2.412 6.667 -4.484 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.664 6.034 -4.405 1.00 0.00 C ATOM 0 H PHE A 36 -0.033 5.729 -7.149 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.040 4.771 -8.915 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.099 7.568 -8.196 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.611 7.167 -8.987 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.300 5.694 -7.736 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.887 7.452 -5.792 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.243 5.087 -5.525 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.882 6.927 -3.580 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.121 5.853 -3.444 1.00 0.00 H new ATOM 557 N GLY A 37 -0.736 4.677 -11.053 1.00 0.00 N ATOM 558 CA GLY A 37 -0.109 4.686 -12.374 1.00 0.00 C ATOM 559 C GLY A 37 1.185 3.862 -12.423 1.00 0.00 C ATOM 560 O GLY A 37 1.813 3.759 -13.475 1.00 0.00 O ATOM 0 H GLY A 37 -1.261 3.826 -10.849 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.813 4.293 -13.108 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.109 5.715 -12.661 1.00 0.00 H new ATOM 564 N ARG A 38 1.589 3.260 -11.302 1.00 0.00 N ATOM 565 CA ARG A 38 2.775 2.431 -11.186 1.00 0.00 C ATOM 566 C ARG A 38 2.370 0.994 -11.515 1.00 0.00 C ATOM 567 O ARG A 38 1.663 0.357 -10.735 1.00 0.00 O ATOM 568 CB ARG A 38 3.318 2.540 -9.749 1.00 0.00 C ATOM 569 CG ARG A 38 4.675 1.850 -9.549 1.00 0.00 C ATOM 570 CD ARG A 38 5.875 2.778 -9.827 1.00 0.00 C ATOM 571 NE ARG A 38 6.609 3.122 -8.589 1.00 0.00 N ATOM 572 CZ ARG A 38 7.374 2.277 -7.879 1.00 0.00 C ATOM 573 NH1 ARG A 38 7.554 1.023 -8.308 1.00 0.00 N ATOM 574 NH2 ARG A 38 7.944 2.691 -6.745 1.00 0.00 N ATOM 0 H ARG A 38 1.077 3.344 -10.424 1.00 0.00 H new ATOM 0 HA ARG A 38 3.559 2.752 -11.872 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.413 3.593 -9.485 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.593 2.103 -9.062 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.740 1.480 -8.526 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.735 0.983 -10.206 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.554 2.292 -10.528 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.523 3.692 -10.306 1.00 0.00 H new ATOM 0 HE ARG A 38 6.527 4.079 -8.247 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.111 0.711 -9.172 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.134 0.379 -7.771 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.798 3.647 -6.420 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.526 2.052 -6.203 1.00 0.00 H new ATOM 588 N LYS A 39 2.819 0.468 -12.658 1.00 0.00 N ATOM 589 CA LYS A 39 2.676 -0.949 -12.952 1.00 0.00 C ATOM 590 C LYS A 39 3.362 -1.770 -11.855 1.00 0.00 C ATOM 591 O LYS A 39 4.579 -1.664 -11.705 1.00 0.00 O ATOM 592 CB LYS A 39 3.264 -1.250 -14.335 1.00 0.00 C ATOM 593 CG LYS A 39 2.253 -0.889 -15.431 1.00 0.00 C ATOM 594 CD LYS A 39 2.929 -0.924 -16.807 1.00 0.00 C ATOM 595 CE LYS A 39 1.875 -1.040 -17.921 1.00 0.00 C ATOM 596 NZ LYS A 39 2.473 -0.946 -19.270 1.00 0.00 N ATOM 0 H LYS A 39 3.283 1.006 -13.390 1.00 0.00 H new ATOM 0 HA LYS A 39 1.621 -1.224 -12.970 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.184 -0.683 -14.478 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.526 -2.306 -14.405 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.418 -1.589 -15.410 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.842 0.103 -15.245 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.521 -0.020 -16.951 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.617 -1.768 -16.860 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.350 -1.990 -17.824 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.132 -0.252 -17.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.725 -1.029 -19.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.952 -0.029 -19.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.163 -1.714 -19.398 1.00 0.00 H new ATOM 610 N THR A 40 2.606 -2.554 -11.075 1.00 0.00 N ATOM 611 CA THR A 40 3.208 -3.409 -10.055 1.00 0.00 C ATOM 612 C THR A 40 3.588 -4.764 -10.659 1.00 0.00 C ATOM 613 O THR A 40 3.709 -4.913 -11.875 1.00 0.00 O ATOM 614 CB THR A 40 2.268 -3.529 -8.853 1.00 0.00 C ATOM 615 OG1 THR A 40 2.929 -4.085 -7.731 1.00 0.00 O ATOM 616 CG2 THR A 40 1.037 -4.387 -9.132 1.00 0.00 C ATOM 0 H THR A 40 1.589 -2.611 -11.132 1.00 0.00 H new ATOM 0 HA THR A 40 4.132 -2.960 -9.690 1.00 0.00 H new ATOM 0 HB THR A 40 1.948 -2.507 -8.648 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.437 -3.385 -7.270 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.414 -4.430 -8.239 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.467 -3.950 -9.952 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.350 -5.395 -9.405 1.00 0.00 H new ATOM 624 N GLY A 41 3.737 -5.757 -9.785 1.00 0.00 N ATOM 625 CA GLY A 41 3.926 -7.155 -10.129 1.00 0.00 C ATOM 626 C GLY A 41 5.412 -7.486 -10.348 1.00 0.00 C ATOM 627 O GLY A 41 5.745 -8.597 -10.757 1.00 0.00 O ATOM 0 H GLY A 41 3.728 -5.598 -8.778 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.526 -7.784 -9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.363 -7.388 -11.033 1.00 0.00 H new ATOM 631 N GLN A 42 6.308 -6.515 -10.109 1.00 0.00 N ATOM 632 CA GLN A 42 7.700 -6.523 -10.557 1.00 0.00 C ATOM 633 C GLN A 42 8.411 -5.234 -10.114 1.00 0.00 C ATOM 634 O GLN A 42 8.836 -4.422 -10.934 1.00 0.00 O ATOM 635 CB GLN A 42 7.789 -6.731 -12.085 1.00 0.00 C ATOM 636 CG GLN A 42 6.824 -5.837 -12.883 1.00 0.00 C ATOM 637 CD GLN A 42 6.927 -6.049 -14.389 1.00 0.00 C ATOM 638 OE1 GLN A 42 7.882 -6.630 -14.893 1.00 0.00 O ATOM 639 NE2 GLN A 42 5.925 -5.582 -15.128 1.00 0.00 N ATOM 0 H GLN A 42 6.070 -5.676 -9.580 1.00 0.00 H new ATOM 0 HA GLN A 42 8.212 -7.364 -10.089 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.810 -6.533 -12.412 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.578 -7.775 -12.314 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.802 -6.037 -12.562 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.031 -4.792 -12.653 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.143 -5.102 -14.682 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.939 -5.703 -16.141 1.00 0.00 H new ATOM 648 N ALA A 43 8.548 -5.033 -8.802 1.00 0.00 N ATOM 649 CA ALA A 43 9.316 -3.915 -8.257 1.00 0.00 C ATOM 650 C ALA A 43 10.819 -4.110 -8.514 1.00 0.00 C ATOM 651 O ALA A 43 11.283 -5.248 -8.552 1.00 0.00 O ATOM 652 CB ALA A 43 9.047 -3.804 -6.757 1.00 0.00 C ATOM 0 H ALA A 43 8.132 -5.637 -8.093 1.00 0.00 H new ATOM 0 HA ALA A 43 9.006 -2.995 -8.753 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.618 -2.971 -6.346 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.984 -3.633 -6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.348 -4.729 -6.264 1.00 0.00 H new ATOM 658 N PRO A 44 11.588 -3.015 -8.659 1.00 0.00 N ATOM 659 CA PRO A 44 13.017 -3.071 -8.941 1.00 0.00 C ATOM 660 C PRO A 44 13.843 -3.531 -7.743 1.00 0.00 C ATOM 661 O PRO A 44 14.821 -4.254 -7.900 1.00 0.00 O ATOM 662 CB PRO A 44 13.399 -1.657 -9.393 1.00 0.00 C ATOM 663 CG PRO A 44 12.380 -0.765 -8.683 1.00 0.00 C ATOM 664 CD PRO A 44 11.123 -1.636 -8.667 1.00 0.00 C ATOM 0 HA PRO A 44 13.231 -3.813 -9.710 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.420 -1.406 -9.106 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.338 -1.552 -10.476 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.704 -0.503 -7.676 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.218 0.170 -9.219 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.514 -1.425 -7.788 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.501 -1.439 -9.540 1.00 0.00 H new ATOM 672 N GLY A 45 13.477 -3.062 -6.552 1.00 0.00 N ATOM 673 CA GLY A 45 14.305 -3.212 -5.364 1.00 0.00 C ATOM 674 C GLY A 45 14.112 -4.572 -4.696 1.00 0.00 C ATOM 675 O GLY A 45 15.057 -5.339 -4.537 1.00 0.00 O ATOM 0 H GLY A 45 12.600 -2.569 -6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.353 -3.088 -5.635 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.064 -2.422 -4.653 1.00 0.00 H new ATOM 679 N PHE A 46 12.879 -4.846 -4.272 1.00 0.00 N ATOM 680 CA PHE A 46 12.445 -6.097 -3.669 1.00 0.00 C ATOM 681 C PHE A 46 11.163 -6.452 -4.408 1.00 0.00 C ATOM 682 O PHE A 46 10.339 -5.563 -4.600 1.00 0.00 O ATOM 683 CB PHE A 46 12.232 -5.894 -2.153 1.00 0.00 C ATOM 684 CG PHE A 46 10.970 -6.481 -1.535 1.00 0.00 C ATOM 685 CD1 PHE A 46 9.754 -5.795 -1.694 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.983 -7.701 -0.831 1.00 0.00 C ATOM 687 CE1 PHE A 46 8.552 -6.374 -1.268 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.776 -8.239 -0.340 1.00 0.00 C ATOM 689 CZ PHE A 46 8.560 -7.585 -0.570 1.00 0.00 C ATOM 0 H PHE A 46 12.122 -4.166 -4.345 1.00 0.00 H new ATOM 0 HA PHE A 46 13.172 -6.905 -3.756 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.090 -6.319 -1.633 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.237 -4.822 -1.953 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.746 -4.815 -2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.915 -8.223 -0.668 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.614 -5.882 -1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.790 -9.163 0.218 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.635 -8.013 -0.211 1.00 0.00 H new ATOM 699 N THR A 47 11.008 -7.704 -4.842 1.00 0.00 N ATOM 700 CA THR A 47 9.741 -8.208 -5.346 1.00 0.00 C ATOM 701 C THR A 47 9.141 -9.147 -4.306 1.00 0.00 C ATOM 702 O THR A 47 9.710 -9.356 -3.237 1.00 0.00 O ATOM 703 CB THR A 47 9.892 -8.829 -6.741 1.00 0.00 C ATOM 704 OG1 THR A 47 8.611 -8.976 -7.331 1.00 0.00 O ATOM 705 CG2 THR A 47 10.593 -10.188 -6.683 1.00 0.00 C ATOM 0 H THR A 47 11.760 -8.393 -4.852 1.00 0.00 H new ATOM 0 HA THR A 47 9.039 -7.387 -5.492 1.00 0.00 H new ATOM 0 HB THR A 47 10.509 -8.163 -7.344 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.705 -9.371 -8.223 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.681 -10.595 -7.690 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.587 -10.067 -6.253 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.011 -10.872 -6.065 1.00 0.00 H new ATOM 713 N TYR A 48 7.967 -9.680 -4.625 1.00 0.00 N ATOM 714 CA TYR A 48 7.040 -10.249 -3.663 1.00 0.00 C ATOM 715 C TYR A 48 6.556 -11.605 -4.153 1.00 0.00 C ATOM 716 O TYR A 48 6.930 -12.052 -5.236 1.00 0.00 O ATOM 717 CB TYR A 48 5.878 -9.271 -3.426 1.00 0.00 C ATOM 718 CG TYR A 48 5.749 -8.151 -4.438 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.520 -6.990 -4.278 1.00 0.00 C ATOM 720 CD2 TYR A 48 4.959 -8.302 -5.585 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.526 -5.996 -5.267 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.904 -7.275 -6.537 1.00 0.00 C ATOM 723 CZ TYR A 48 5.713 -6.137 -6.403 1.00 0.00 C ATOM 724 OH TYR A 48 5.904 -5.324 -7.481 1.00 0.00 O ATOM 0 H TYR A 48 7.628 -9.728 -5.586 1.00 0.00 H new ATOM 0 HA TYR A 48 7.541 -10.406 -2.708 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.946 -9.837 -3.416 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.994 -8.830 -2.436 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.114 -6.861 -3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.393 -9.209 -5.736 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.154 -5.125 -5.155 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.234 -7.360 -7.380 1.00 0.00 H new ATOM 0 HH TYR A 48 5.103 -4.778 -7.625 1.00 0.00 H new ATOM 734 N THR A 49 5.734 -12.261 -3.332 1.00 0.00 N ATOM 735 CA THR A 49 5.246 -13.597 -3.640 1.00 0.00 C ATOM 736 C THR A 49 4.528 -13.602 -4.985 1.00 0.00 C ATOM 737 O THR A 49 3.803 -12.662 -5.295 1.00 0.00 O ATOM 738 CB THR A 49 4.306 -14.117 -2.548 1.00 0.00 C ATOM 739 OG1 THR A 49 3.133 -13.333 -2.448 1.00 0.00 O ATOM 740 CG2 THR A 49 4.979 -14.148 -1.177 1.00 0.00 C ATOM 0 H THR A 49 5.394 -11.883 -2.447 1.00 0.00 H new ATOM 0 HA THR A 49 6.110 -14.260 -3.689 1.00 0.00 H new ATOM 0 HB THR A 49 4.044 -15.133 -2.845 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.557 -13.695 -1.743 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.275 -14.523 -0.434 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.850 -14.802 -1.214 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.293 -13.141 -0.903 1.00 0.00 H new ATOM 748 N ASP A 50 4.705 -14.667 -5.765 1.00 0.00 N ATOM 749 CA ASP A 50 4.212 -14.800 -7.132 1.00 0.00 C ATOM 750 C ASP A 50 2.713 -14.574 -7.250 1.00 0.00 C ATOM 751 O ASP A 50 2.257 -14.110 -8.285 1.00 0.00 O ATOM 752 CB ASP A 50 4.641 -16.161 -7.681 1.00 0.00 C ATOM 753 CG ASP A 50 6.156 -16.266 -7.626 1.00 0.00 C ATOM 754 OD1 ASP A 50 6.637 -16.507 -6.496 1.00 0.00 O ATOM 755 OD2 ASP A 50 6.793 -16.014 -8.673 1.00 0.00 O ATOM 0 H ASP A 50 5.215 -15.492 -5.449 1.00 0.00 H new ATOM 0 HA ASP A 50 4.658 -14.011 -7.738 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.187 -16.962 -7.097 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.293 -16.279 -8.707 1.00 0.00 H new ATOM 760 N ALA A 51 1.936 -14.844 -6.205 1.00 0.00 N ATOM 761 CA ALA A 51 0.522 -14.499 -6.197 1.00 0.00 C ATOM 762 C ALA A 51 0.308 -12.988 -6.310 1.00 0.00 C ATOM 763 O ALA A 51 -0.594 -12.558 -7.029 1.00 0.00 O ATOM 764 CB ALA A 51 -0.124 -15.089 -4.944 1.00 0.00 C ATOM 0 H ALA A 51 2.264 -15.301 -5.354 1.00 0.00 H new ATOM 0 HA ALA A 51 0.038 -14.930 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.184 -14.836 -4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.009 -16.173 -4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.360 -14.679 -4.058 1.00 0.00 H new ATOM 770 N ASN A 52 1.139 -12.178 -5.651 1.00 0.00 N ATOM 771 CA ASN A 52 1.092 -10.730 -5.812 1.00 0.00 C ATOM 772 C ASN A 52 1.789 -10.323 -7.111 1.00 0.00 C ATOM 773 O ASN A 52 1.242 -9.552 -7.894 1.00 0.00 O ATOM 774 CB ASN A 52 1.674 -10.035 -4.577 1.00 0.00 C ATOM 775 CG ASN A 52 1.357 -8.537 -4.569 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.523 -7.844 -5.565 1.00 0.00 O ATOM 777 ND2 ASN A 52 0.880 -8.023 -3.443 1.00 0.00 N ATOM 0 H ASN A 52 1.853 -12.505 -5.000 1.00 0.00 H new ATOM 0 HA ASN A 52 0.055 -10.403 -5.892 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.271 -10.497 -3.676 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.754 -10.179 -4.554 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.643 -7.032 -3.395 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.750 -8.619 -2.625 1.00 0.00 H new ATOM 784 N LYS A 53 2.972 -10.884 -7.389 1.00 0.00 N ATOM 785 CA LYS A 53 3.725 -10.583 -8.601 1.00 0.00 C ATOM 786 C LYS A 53 2.872 -10.818 -9.848 1.00 0.00 C ATOM 787 O LYS A 53 2.917 -10.057 -10.810 1.00 0.00 O ATOM 788 CB LYS A 53 5.089 -11.301 -8.619 1.00 0.00 C ATOM 789 CG LYS A 53 5.271 -12.271 -9.798 1.00 0.00 C ATOM 790 CD LYS A 53 6.647 -12.946 -9.771 1.00 0.00 C ATOM 791 CE LYS A 53 7.705 -12.049 -10.428 1.00 0.00 C ATOM 792 NZ LYS A 53 9.020 -12.716 -10.473 1.00 0.00 N ATOM 0 H LYS A 53 3.430 -11.559 -6.776 1.00 0.00 H new ATOM 0 HA LYS A 53 3.969 -9.521 -8.606 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.881 -10.553 -8.652 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.210 -11.852 -7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.492 -13.032 -9.766 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.150 -11.730 -10.736 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.933 -13.159 -8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.599 -13.902 -10.293 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.390 -11.793 -11.440 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.788 -11.114 -9.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.714 -12.085 -10.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.330 -12.938 -9.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.945 -13.595 -11.023 1.00 0.00 H new ATOM 806 N ASN A 54 2.069 -11.879 -9.814 1.00 0.00 N ATOM 807 CA ASN A 54 1.170 -12.257 -10.887 1.00 0.00 C ATOM 808 C ASN A 54 0.192 -11.122 -11.217 1.00 0.00 C ATOM 809 O ASN A 54 -0.307 -11.040 -12.335 1.00 0.00 O ATOM 810 CB ASN A 54 0.405 -13.525 -10.488 1.00 0.00 C ATOM 811 CG ASN A 54 -0.676 -13.918 -11.487 1.00 0.00 C ATOM 812 OD1 ASN A 54 -1.861 -13.905 -11.158 1.00 0.00 O ATOM 813 ND2 ASN A 54 -0.288 -14.302 -12.698 1.00 0.00 N ATOM 0 H ASN A 54 2.029 -12.512 -9.016 1.00 0.00 H new ATOM 0 HA ASN A 54 1.759 -12.455 -11.783 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.111 -14.349 -10.385 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.052 -13.372 -9.510 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.981 -14.597 -13.386 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.703 -14.301 -12.940 1.00 0.00 H new ATOM 820 N LYS A 55 -0.112 -10.258 -10.244 1.00 0.00 N ATOM 821 CA LYS A 55 -1.100 -9.202 -10.369 1.00 0.00 C ATOM 822 C LYS A 55 -0.371 -7.915 -10.740 1.00 0.00 C ATOM 823 O LYS A 55 -0.405 -6.938 -10.001 1.00 0.00 O ATOM 824 CB LYS A 55 -1.920 -9.089 -9.067 1.00 0.00 C ATOM 825 CG LYS A 55 -3.191 -9.949 -9.065 1.00 0.00 C ATOM 826 CD LYS A 55 -2.932 -11.402 -9.473 1.00 0.00 C ATOM 827 CE LYS A 55 -4.143 -12.288 -9.148 1.00 0.00 C ATOM 828 NZ LYS A 55 -4.189 -13.480 -10.020 1.00 0.00 N ATOM 0 H LYS A 55 0.337 -10.281 -9.329 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.820 -9.420 -11.158 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.292 -9.382 -8.225 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.197 -8.046 -8.911 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.634 -9.931 -8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.920 -9.511 -9.746 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.717 -11.451 -10.540 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.051 -11.778 -8.953 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.098 -12.600 -8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.060 -11.712 -9.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.965 -13.379 -10.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.287 -13.572 -10.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.348 -14.329 -9.440 1.00 0.00 H new ATOM 842 N GLY A 56 0.255 -7.901 -11.918 1.00 0.00 N ATOM 843 CA GLY A 56 0.805 -6.701 -12.539 1.00 0.00 C ATOM 844 C GLY A 56 -0.278 -5.680 -12.916 1.00 0.00 C ATOM 845 O GLY A 56 -0.496 -5.392 -14.090 1.00 0.00 O ATOM 0 H GLY A 56 0.395 -8.743 -12.477 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.515 -6.236 -11.855 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.361 -6.982 -13.433 1.00 0.00 H new ATOM 849 N ILE A 57 -0.947 -5.124 -11.904 1.00 0.00 N ATOM 850 CA ILE A 57 -1.928 -4.063 -11.982 1.00 0.00 C ATOM 851 C ILE A 57 -1.206 -2.712 -11.949 1.00 0.00 C ATOM 852 O ILE A 57 -0.021 -2.652 -12.248 1.00 0.00 O ATOM 853 CB ILE A 57 -2.932 -4.232 -10.829 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.285 -4.171 -9.438 1.00 0.00 C ATOM 855 CG2 ILE A 57 -3.741 -5.524 -11.017 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.291 -3.788 -8.358 1.00 0.00 C ATOM 0 H ILE A 57 -0.800 -5.433 -10.943 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.489 -4.107 -12.915 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.608 -3.378 -10.871 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.847 -5.140 -9.199 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.470 -3.447 -9.448 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.448 -5.633 -10.195 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.285 -5.479 -11.960 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.064 -6.378 -11.029 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.791 -3.757 -7.390 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.710 -2.807 -8.582 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.092 -4.526 -8.329 1.00 0.00 H new ATOM 868 N THR A 58 -1.907 -1.625 -11.611 1.00 0.00 N ATOM 869 CA THR A 58 -1.461 -0.249 -11.786 1.00 0.00 C ATOM 870 C THR A 58 -1.588 0.551 -10.483 1.00 0.00 C ATOM 871 O THR A 58 -1.628 1.780 -10.541 1.00 0.00 O ATOM 872 CB THR A 58 -2.373 0.369 -12.860 1.00 0.00 C ATOM 873 OG1 THR A 58 -2.925 -0.641 -13.698 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.635 1.409 -13.692 1.00 0.00 C ATOM 0 H THR A 58 -2.835 -1.687 -11.193 1.00 0.00 H new ATOM 0 HA THR A 58 -0.411 -0.226 -12.076 1.00 0.00 H new ATOM 0 HB THR A 58 -3.189 0.875 -12.343 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.081 -0.274 -14.593 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.311 1.823 -14.440 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.279 2.208 -13.042 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.786 0.941 -14.190 1.00 0.00 H new ATOM 882 N TRP A 59 -1.767 -0.162 -9.358 1.00 0.00 N ATOM 883 CA TRP A 59 -2.249 0.332 -8.071 1.00 0.00 C ATOM 884 C TRP A 59 -3.018 1.643 -8.179 1.00 0.00 C ATOM 885 O TRP A 59 -2.570 2.680 -7.697 1.00 0.00 O ATOM 886 CB TRP A 59 -1.112 0.406 -7.056 1.00 0.00 C ATOM 887 CG TRP A 59 -0.591 -0.922 -6.625 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.675 -1.350 -6.785 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.286 -1.988 -5.915 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.788 -2.641 -6.320 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.389 -3.084 -5.745 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.585 -2.134 -5.385 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.758 -4.256 -5.063 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.940 -3.272 -4.642 1.00 0.00 C ATOM 895 CH2 TRP A 59 -2.030 -4.327 -4.470 1.00 0.00 C ATOM 0 H TRP A 59 -1.564 -1.161 -9.329 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.975 -0.394 -7.706 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.293 0.983 -7.486 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.459 0.950 -6.178 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.479 -0.770 -7.213 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.637 -3.202 -6.391 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.318 -1.359 -5.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.074 -5.089 -4.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.923 -3.336 -4.199 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.307 -5.191 -3.884 1.00 0.00 H new ATOM 906 N LYS A 60 -4.198 1.573 -8.795 1.00 0.00 N ATOM 907 CA LYS A 60 -5.080 2.719 -8.882 1.00 0.00 C ATOM 908 C LYS A 60 -5.989 2.731 -7.651 1.00 0.00 C ATOM 909 O LYS A 60 -6.046 1.743 -6.904 1.00 0.00 O ATOM 910 CB LYS A 60 -5.883 2.690 -10.189 1.00 0.00 C ATOM 911 CG LYS A 60 -6.681 1.398 -10.418 1.00 0.00 C ATOM 912 CD LYS A 60 -5.990 0.330 -11.280 1.00 0.00 C ATOM 913 CE LYS A 60 -6.181 0.647 -12.773 1.00 0.00 C ATOM 914 NZ LYS A 60 -5.630 -0.405 -13.656 1.00 0.00 N ATOM 0 H LYS A 60 -4.559 0.729 -9.240 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.496 3.639 -8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.573 3.534 -10.196 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.198 2.832 -11.025 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.914 0.960 -9.447 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.630 1.658 -10.886 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.927 0.292 -11.042 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.403 -0.653 -11.054 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.244 0.770 -12.981 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.699 1.597 -13.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.615 -0.062 -14.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.662 -0.638 -13.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.225 -1.256 -13.596 1.00 0.00 H new ATOM 928 N GLU A 61 -6.737 3.823 -7.481 1.00 0.00 N ATOM 929 CA GLU A 61 -7.675 4.057 -6.374 1.00 0.00 C ATOM 930 C GLU A 61 -8.957 3.220 -6.474 1.00 0.00 C ATOM 931 O GLU A 61 -10.064 3.721 -6.294 1.00 0.00 O ATOM 932 CB GLU A 61 -8.011 5.552 -6.266 1.00 0.00 C ATOM 933 CG GLU A 61 -8.539 6.124 -7.590 1.00 0.00 C ATOM 934 CD GLU A 61 -7.451 6.854 -8.350 1.00 0.00 C ATOM 935 OE1 GLU A 61 -6.536 6.158 -8.840 1.00 0.00 O ATOM 936 OE2 GLU A 61 -7.536 8.103 -8.334 1.00 0.00 O ATOM 0 H GLU A 61 -6.707 4.603 -8.137 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.169 3.731 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.757 5.700 -5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.120 6.102 -5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.935 5.316 -8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.365 6.806 -7.390 1.00 0.00 H new ATOM 943 N GLU A 62 -8.789 1.925 -6.713 1.00 0.00 N ATOM 944 CA GLU A 62 -9.845 0.944 -6.856 1.00 0.00 C ATOM 945 C GLU A 62 -9.260 -0.331 -6.257 1.00 0.00 C ATOM 946 O GLU A 62 -9.673 -0.818 -5.205 1.00 0.00 O ATOM 947 CB GLU A 62 -10.208 0.770 -8.347 1.00 0.00 C ATOM 948 CG GLU A 62 -10.043 2.043 -9.199 1.00 0.00 C ATOM 949 CD GLU A 62 -10.345 1.765 -10.669 1.00 0.00 C ATOM 950 OE1 GLU A 62 -9.771 0.780 -11.187 1.00 0.00 O ATOM 951 OE2 GLU A 62 -11.117 2.550 -11.256 1.00 0.00 O ATOM 0 H GLU A 62 -7.861 1.514 -6.817 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.770 1.230 -6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.585 -0.018 -8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.242 0.432 -8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.711 2.821 -8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.026 2.422 -9.099 1.00 0.00 H new ATOM 958 N THR A 63 -8.184 -0.781 -6.903 1.00 0.00 N ATOM 959 CA THR A 63 -7.391 -1.923 -6.523 1.00 0.00 C ATOM 960 C THR A 63 -6.782 -1.687 -5.145 1.00 0.00 C ATOM 961 O THR A 63 -6.783 -2.580 -4.302 1.00 0.00 O ATOM 962 CB THR A 63 -6.336 -2.135 -7.620 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.719 -0.911 -8.012 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.007 -2.693 -8.879 1.00 0.00 C ATOM 0 H THR A 63 -7.834 -0.327 -7.747 1.00 0.00 H new ATOM 0 HA THR A 63 -7.991 -2.829 -6.440 1.00 0.00 H new ATOM 0 HB THR A 63 -5.591 -2.816 -7.208 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.940 -0.211 -7.363 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.257 -2.842 -9.655 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.483 -3.646 -8.646 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.760 -1.989 -9.233 1.00 0.00 H new ATOM 972 N LEU A 64 -6.290 -0.466 -4.900 1.00 0.00 N ATOM 973 CA LEU A 64 -5.788 -0.093 -3.588 1.00 0.00 C ATOM 974 C LEU A 64 -6.884 -0.201 -2.534 1.00 0.00 C ATOM 975 O LEU A 64 -6.620 -0.693 -1.443 1.00 0.00 O ATOM 976 CB LEU A 64 -5.206 1.325 -3.632 1.00 0.00 C ATOM 977 CG LEU A 64 -3.674 1.282 -3.692 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.111 2.495 -4.415 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.046 1.278 -2.301 1.00 0.00 C ATOM 0 H LEU A 64 -6.232 0.275 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.994 -0.786 -3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.594 1.856 -4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.525 1.882 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.431 0.362 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.023 2.432 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.495 2.522 -5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.410 3.402 -3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.960 1.247 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.340 2.181 -1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.389 0.403 -1.749 1.00 0.00 H new ATOM 991 N MET A 65 -8.101 0.259 -2.834 1.00 0.00 N ATOM 992 CA MET A 65 -9.175 0.219 -1.856 1.00 0.00 C ATOM 993 C MET A 65 -9.482 -1.237 -1.505 1.00 0.00 C ATOM 994 O MET A 65 -9.476 -1.605 -0.332 1.00 0.00 O ATOM 995 CB MET A 65 -10.423 0.969 -2.349 1.00 0.00 C ATOM 996 CG MET A 65 -10.079 2.277 -3.074 1.00 0.00 C ATOM 997 SD MET A 65 -11.398 3.517 -3.124 1.00 0.00 S ATOM 998 CE MET A 65 -10.998 4.428 -1.621 1.00 0.00 C ATOM 0 H MET A 65 -8.359 0.658 -3.737 1.00 0.00 H new ATOM 0 HA MET A 65 -8.852 0.736 -0.952 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.988 0.323 -3.021 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.070 1.188 -1.499 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.207 2.720 -2.592 1.00 0.00 H new ATOM 0 HG3 MET A 65 -9.791 2.039 -4.098 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.861 4.429 -0.955 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.155 3.952 -1.121 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.736 5.455 -1.877 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.724 -2.067 -2.527 1.00 0.00 N ATOM 1009 CA GLU A 66 -10.095 -3.461 -2.312 1.00 0.00 C ATOM 1010 C GLU A 66 -8.999 -4.203 -1.528 1.00 0.00 C ATOM 1011 O GLU A 66 -9.284 -4.886 -0.545 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.455 -4.127 -3.653 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.254 -5.422 -3.430 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.835 -6.005 -4.715 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -11.269 -5.710 -5.789 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -12.820 -6.766 -4.590 1.00 0.00 O ATOM 0 H GLU A 66 -9.668 -1.793 -3.508 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.990 -3.511 -1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.039 -3.436 -4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.544 -4.349 -4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.606 -6.164 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.066 -5.223 -2.730 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.737 -4.029 -1.934 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.583 -4.581 -1.234 1.00 0.00 C ATOM 1025 C TYR A 67 -6.568 -4.141 0.225 1.00 0.00 C ATOM 1026 O TYR A 67 -6.601 -4.979 1.113 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.310 -4.130 -1.954 1.00 0.00 C ATOM 1028 CG TYR A 67 -4.015 -4.759 -1.472 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.869 -6.160 -1.418 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.895 -3.942 -1.237 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.623 -6.737 -1.120 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.650 -4.522 -0.941 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.514 -5.916 -0.866 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.311 -6.476 -0.565 1.00 0.00 O ATOM 0 H TYR A 67 -7.490 -3.495 -2.767 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.640 -5.669 -1.242 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.422 -4.345 -3.017 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.224 -3.048 -1.855 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.722 -6.795 -1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.992 -2.867 -1.284 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.519 -7.811 -1.086 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.791 -3.890 -0.770 1.00 0.00 H new ATOM 0 HH TYR A 67 0.023 -6.102 0.277 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.494 -2.841 0.497 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.358 -2.370 1.870 1.00 0.00 C ATOM 1046 C LEU A 68 -7.515 -2.818 2.755 1.00 0.00 C ATOM 1047 O LEU A 68 -7.300 -3.114 3.931 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.184 -0.846 1.947 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.719 -0.388 1.963 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -3.901 -1.108 3.038 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.054 -0.579 0.606 1.00 0.00 C ATOM 0 H LEU A 68 -6.526 -2.103 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.448 -2.832 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.688 -0.389 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.679 -0.478 2.846 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.739 0.676 2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.871 -0.751 3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.330 -0.904 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.918 -2.182 2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.018 -0.243 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.080 -1.634 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.587 0.003 -0.146 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.729 -2.860 2.206 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.874 -3.352 2.954 1.00 0.00 C ATOM 1065 C GLU A 69 -9.647 -4.831 3.299 1.00 0.00 C ATOM 1066 O GLU A 69 -9.745 -5.220 4.463 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.166 -3.091 2.158 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.394 -2.862 3.056 1.00 0.00 C ATOM 1069 CD GLU A 69 -12.823 -4.102 3.830 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -12.912 -5.170 3.187 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -13.083 -3.945 5.042 1.00 0.00 O ATOM 0 H GLU A 69 -8.939 -2.561 1.254 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.987 -2.819 3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.022 -2.219 1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.358 -3.939 1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.173 -2.061 3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.226 -2.523 2.439 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.304 -5.650 2.296 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.312 -7.103 2.425 1.00 0.00 C ATOM 1080 C ASN A 70 -8.143 -7.763 1.681 1.00 0.00 C ATOM 1081 O ASN A 70 -8.354 -8.467 0.695 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.655 -7.596 1.874 1.00 0.00 C ATOM 1083 CG ASN A 70 -11.099 -8.903 2.510 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -10.297 -9.646 3.069 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -12.395 -9.196 2.432 1.00 0.00 N ATOM 0 H ASN A 70 -9.014 -5.319 1.376 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.190 -7.378 3.473 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.416 -6.835 2.046 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.575 -7.729 0.795 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.748 -10.060 2.844 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.035 -8.557 1.960 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.893 -7.583 2.122 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.730 -7.784 1.265 1.00 0.00 C ATOM 1094 C PRO A 71 -5.552 -9.239 0.855 1.00 0.00 C ATOM 1095 O PRO A 71 -5.425 -9.548 -0.327 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.534 -7.212 2.029 1.00 0.00 C ATOM 1097 CG PRO A 71 -5.013 -7.115 3.479 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.533 -6.982 3.387 1.00 0.00 C ATOM 0 HA PRO A 71 -5.848 -7.267 0.313 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.662 -7.860 1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.246 -6.235 1.641 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.728 -8.000 4.048 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.572 -6.255 3.984 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.023 -7.490 4.217 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.839 -5.937 3.427 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.591 -10.139 1.836 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.529 -11.574 1.608 1.00 0.00 C ATOM 1108 C LYS A 72 -6.725 -12.106 0.808 1.00 0.00 C ATOM 1109 O LYS A 72 -6.672 -13.248 0.359 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.375 -12.278 2.965 1.00 0.00 C ATOM 1111 CG LYS A 72 -3.897 -12.297 3.386 1.00 0.00 C ATOM 1112 CD LYS A 72 -3.671 -12.023 4.876 1.00 0.00 C ATOM 1113 CE LYS A 72 -4.421 -12.987 5.803 1.00 0.00 C ATOM 1114 NZ LYS A 72 -4.169 -12.654 7.221 1.00 0.00 N ATOM 0 H LYS A 72 -5.667 -9.885 2.821 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.662 -11.792 0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.969 -11.763 3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.756 -13.297 2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.471 -13.269 3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.354 -11.553 2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.604 -12.085 5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.982 -11.003 5.100 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.490 -12.938 5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.105 -14.011 5.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.686 -13.319 7.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.150 -12.724 7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.493 -11.685 7.413 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.794 -11.322 0.617 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.903 -11.724 -0.236 1.00 0.00 C ATOM 1130 C LYS A 73 -8.677 -11.192 -1.650 1.00 0.00 C ATOM 1131 O LYS A 73 -8.811 -11.952 -2.606 1.00 0.00 O ATOM 1132 CB LYS A 73 -10.234 -11.275 0.377 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.457 -11.937 -0.271 1.00 0.00 C ATOM 1134 CD LYS A 73 -12.020 -11.099 -1.427 1.00 0.00 C ATOM 1135 CE LYS A 73 -13.050 -11.910 -2.221 1.00 0.00 C ATOM 1136 NZ LYS A 73 -13.672 -11.102 -3.293 1.00 0.00 N ATOM 0 H LYS A 73 -7.908 -10.404 1.047 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.952 -12.811 -0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.229 -11.502 1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.323 -10.193 0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.181 -12.925 -0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.232 -12.083 0.482 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.484 -10.193 -1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.210 -10.784 -2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.567 -12.784 -2.658 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.823 -12.277 -1.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.363 -11.683 -3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.154 -10.281 -2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.937 -10.773 -3.951 1.00 0.00 H new ATOM 1150 N TYR A 74 -8.344 -9.901 -1.797 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.994 -9.322 -3.087 1.00 0.00 C ATOM 1152 C TYR A 74 -6.928 -10.171 -3.791 1.00 0.00 C ATOM 1153 O TYR A 74 -7.060 -10.488 -4.971 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.525 -7.875 -2.893 1.00 0.00 C ATOM 1155 CG TYR A 74 -7.262 -7.131 -4.191 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -8.308 -6.954 -5.115 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.964 -6.704 -4.527 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -8.040 -6.437 -6.394 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.691 -6.212 -5.813 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.725 -6.116 -6.758 1.00 0.00 C ATOM 1161 OH TYR A 74 -6.436 -5.807 -8.052 1.00 0.00 O ATOM 0 H TYR A 74 -8.312 -9.237 -1.023 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.875 -9.313 -3.728 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.279 -7.333 -2.322 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.613 -7.877 -2.296 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -9.319 -7.216 -4.841 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.174 -6.755 -3.792 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.847 -6.287 -7.096 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.688 -5.908 -6.075 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.253 -5.857 -8.591 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.875 -10.546 -3.055 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.804 -11.412 -3.531 1.00 0.00 C ATOM 1173 C ILE A 75 -4.622 -12.551 -2.515 1.00 0.00 C ATOM 1174 O ILE A 75 -4.022 -12.329 -1.462 1.00 0.00 O ATOM 1175 CB ILE A 75 -3.513 -10.592 -3.731 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.727 -9.540 -4.835 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -2.346 -11.505 -4.137 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.583 -8.528 -4.953 1.00 0.00 C ATOM 0 H ILE A 75 -5.746 -10.245 -2.089 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.053 -11.846 -4.499 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.273 -10.101 -2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.849 -10.049 -5.791 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.655 -9.004 -4.638 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.446 -10.906 -4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.175 -12.246 -3.356 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.589 -12.012 -5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.805 -7.819 -5.751 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.474 -7.991 -4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.655 -9.053 -5.181 1.00 0.00 H new ATOM 1190 N PRO A 76 -5.090 -13.779 -2.806 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.913 -14.925 -1.925 1.00 0.00 C ATOM 1192 C PRO A 76 -3.475 -15.442 -2.018 1.00 0.00 C ATOM 1193 O PRO A 76 -3.220 -16.529 -2.532 1.00 0.00 O ATOM 1194 CB PRO A 76 -5.955 -15.946 -2.388 1.00 0.00 C ATOM 1195 CG PRO A 76 -6.045 -15.679 -3.889 1.00 0.00 C ATOM 1196 CD PRO A 76 -5.855 -14.163 -3.986 1.00 0.00 C ATOM 0 HA PRO A 76 -5.062 -14.688 -0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.641 -16.968 -2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.914 -15.798 -1.892 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.275 -16.218 -4.441 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.006 -15.991 -4.297 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.325 -13.894 -4.900 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.816 -13.650 -4.012 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.531 -14.645 -1.517 1.00 0.00 N ATOM 1205 CA GLY A 77 -1.112 -14.943 -1.562 1.00 0.00 C ATOM 1206 C GLY A 77 -0.327 -13.637 -1.565 1.00 0.00 C ATOM 1207 O GLY A 77 -0.014 -13.075 -2.610 1.00 0.00 O ATOM 0 H GLY A 77 -2.743 -13.758 -1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.828 -15.550 -0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.878 -15.524 -2.454 1.00 0.00 H new ATOM 1211 N THR A 78 -0.050 -13.136 -0.368 1.00 0.00 N ATOM 1212 CA THR A 78 0.712 -11.939 -0.115 1.00 0.00 C ATOM 1213 C THR A 78 1.545 -12.176 1.136 1.00 0.00 C ATOM 1214 O THR A 78 1.079 -12.870 2.042 1.00 0.00 O ATOM 1215 CB THR A 78 -0.271 -10.775 0.060 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.412 -9.643 0.533 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.423 -11.020 1.039 1.00 0.00 C ATOM 0 H THR A 78 -0.371 -13.583 0.491 1.00 0.00 H new ATOM 0 HA THR A 78 1.384 -11.693 -0.937 1.00 0.00 H new ATOM 0 HB THR A 78 -0.703 -10.645 -0.932 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.864 -9.198 -0.214 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.056 -10.134 1.086 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.014 -11.870 0.700 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.020 -11.231 2.030 1.00 0.00 H new ATOM 1225 N LYS A 79 2.746 -11.591 1.214 1.00 0.00 N ATOM 1226 CA LYS A 79 3.503 -11.552 2.459 1.00 0.00 C ATOM 1227 C LYS A 79 3.237 -10.225 3.181 1.00 0.00 C ATOM 1228 O LYS A 79 4.049 -9.792 3.995 1.00 0.00 O ATOM 1229 CB LYS A 79 4.996 -11.776 2.172 1.00 0.00 C ATOM 1230 CG LYS A 79 5.739 -12.293 3.415 1.00 0.00 C ATOM 1231 CD LYS A 79 7.244 -12.036 3.286 1.00 0.00 C ATOM 1232 CE LYS A 79 7.980 -12.610 4.505 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.414 -12.253 4.509 1.00 0.00 N ATOM 0 H LYS A 79 3.210 -11.139 0.426 1.00 0.00 H new ATOM 0 HA LYS A 79 3.180 -12.356 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.107 -12.491 1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.448 -10.841 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.355 -11.799 4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.556 -13.360 3.538 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.623 -12.495 2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.433 -10.965 3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.512 -12.240 5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.877 -13.695 4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.871 -12.661 5.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.868 -12.628 3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.514 -11.218 4.529 1.00 0.00 H new ATOM 1247 N MET A 80 2.104 -9.571 2.907 1.00 0.00 N ATOM 1248 CA MET A 80 1.788 -8.291 3.512 1.00 0.00 C ATOM 1249 C MET A 80 1.501 -8.385 5.013 1.00 0.00 C ATOM 1250 O MET A 80 1.764 -7.452 5.762 1.00 0.00 O ATOM 1251 CB MET A 80 0.662 -7.638 2.719 1.00 0.00 C ATOM 1252 CG MET A 80 0.213 -6.311 3.320 1.00 0.00 C ATOM 1253 SD MET A 80 0.235 -4.914 2.177 1.00 0.00 S ATOM 1254 CE MET A 80 -1.452 -4.268 2.355 1.00 0.00 C ATOM 0 H MET A 80 1.391 -9.917 2.264 1.00 0.00 H new ATOM 0 HA MET A 80 2.668 -7.651 3.459 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.993 -7.474 1.693 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.188 -8.319 2.675 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.799 -6.428 3.708 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.855 -6.077 4.169 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.564 -3.371 1.746 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.167 -5.022 2.025 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.639 -4.023 3.400 1.00 0.00 H new ATOM 1264 N ILE A 81 0.959 -9.516 5.453 1.00 0.00 N ATOM 1265 CA ILE A 81 0.589 -9.778 6.837 1.00 0.00 C ATOM 1266 C ILE A 81 -0.229 -8.609 7.402 1.00 0.00 C ATOM 1267 O ILE A 81 0.172 -7.927 8.342 1.00 0.00 O ATOM 1268 CB ILE A 81 1.846 -10.093 7.666 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.780 -11.117 6.997 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.505 -10.560 9.091 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.189 -12.526 6.873 1.00 0.00 C ATOM 0 H ILE A 81 0.759 -10.301 4.834 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.053 -10.657 6.889 1.00 0.00 H new ATOM 0 HB ILE A 81 2.382 -9.145 7.724 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.041 -10.757 6.002 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.706 -11.174 7.569 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.426 -10.770 9.635 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.949 -9.777 9.607 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.898 -11.464 9.042 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.913 -13.183 6.391 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.954 -12.911 7.865 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.279 -12.487 6.274 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.408 -8.396 6.820 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.380 -7.420 7.282 1.00 0.00 C ATOM 1285 C PHE A 82 -3.710 -8.166 7.404 1.00 0.00 C ATOM 1286 O PHE A 82 -3.922 -9.159 6.702 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.392 -6.242 6.301 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.894 -4.931 6.872 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.026 -4.155 7.666 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.138 -4.403 6.479 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -2.395 -2.858 8.059 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.493 -3.094 6.845 1.00 0.00 C ATOM 1293 CZ PHE A 82 -3.629 -2.327 7.648 1.00 0.00 C ATOM 0 H PHE A 82 -1.716 -8.912 5.996 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.149 -6.987 8.255 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.380 -6.092 5.926 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.013 -6.509 5.446 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.073 -4.559 7.974 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.820 -5.004 5.896 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.731 -2.270 8.676 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.431 -2.676 6.509 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.915 -1.330 7.949 1.00 0.00 H new ATOM 1303 N ALA A 83 -4.564 -7.775 8.352 1.00 0.00 N ATOM 1304 CA ALA A 83 -5.743 -8.551 8.723 1.00 0.00 C ATOM 1305 C ALA A 83 -6.759 -7.632 9.395 1.00 0.00 C ATOM 1306 O ALA A 83 -6.816 -7.553 10.620 1.00 0.00 O ATOM 1307 CB ALA A 83 -5.334 -9.708 9.644 1.00 0.00 C ATOM 0 H ALA A 83 -4.455 -6.911 8.883 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.205 -8.980 7.834 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.217 -10.284 9.918 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.626 -10.354 9.124 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.867 -9.309 10.544 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.546 -6.928 8.581 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.414 -5.864 9.054 1.00 0.00 C ATOM 1315 C GLY A 84 -7.610 -4.569 9.131 1.00 0.00 C ATOM 1316 O GLY A 84 -6.404 -4.598 9.373 1.00 0.00 O ATOM 0 H GLY A 84 -7.595 -7.084 7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.262 -5.742 8.380 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.819 -6.115 10.034 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.272 -3.435 8.886 1.00 0.00 N ATOM 1321 CA ILE A 85 -7.626 -2.139 8.821 1.00 0.00 C ATOM 1322 C ILE A 85 -7.957 -1.378 10.104 1.00 0.00 C ATOM 1323 O ILE A 85 -7.050 -1.076 10.882 1.00 0.00 O ATOM 1324 CB ILE A 85 -7.991 -1.450 7.488 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -7.141 -0.186 7.321 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -9.488 -1.148 7.302 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -7.209 0.392 5.907 1.00 0.00 C ATOM 0 H ILE A 85 -9.279 -3.400 8.727 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.538 -2.200 8.795 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.764 -2.167 6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.476 0.568 8.033 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.104 -0.416 7.565 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.645 -0.665 6.338 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.054 -2.079 7.338 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.827 -0.486 8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.588 1.286 5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.847 -0.348 5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.241 0.651 5.669 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.254 -1.150 10.353 1.00 0.00 N ATOM 1340 CA LYS A 86 -9.773 -0.501 11.542 1.00 0.00 C ATOM 1341 C LYS A 86 -11.291 -0.679 11.626 1.00 0.00 C ATOM 1342 O LYS A 86 -11.801 -1.238 12.594 1.00 0.00 O ATOM 1343 CB LYS A 86 -9.364 0.979 11.530 1.00 0.00 C ATOM 1344 CG LYS A 86 -10.212 1.873 12.444 1.00 0.00 C ATOM 1345 CD LYS A 86 -9.392 3.059 12.967 1.00 0.00 C ATOM 1346 CE LYS A 86 -10.107 3.790 14.110 1.00 0.00 C ATOM 1347 NZ LYS A 86 -9.242 4.829 14.704 1.00 0.00 N ATOM 0 H LYS A 86 -9.989 -1.427 9.702 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.349 -0.963 12.434 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.319 1.058 11.831 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.431 1.355 10.509 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.080 2.240 11.896 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.588 1.288 13.283 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.422 2.704 13.314 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.203 3.757 12.152 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.023 4.246 13.736 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.398 3.073 14.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.752 5.307 15.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.379 4.388 15.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.985 5.525 13.975 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.024 -0.146 10.642 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.482 -0.101 10.682 1.00 0.00 C ATOM 1363 C LYS A 87 -14.037 0.139 9.279 1.00 0.00 C ATOM 1364 O LYS A 87 -14.814 -0.665 8.779 1.00 0.00 O ATOM 1365 CB LYS A 87 -13.937 1.003 11.662 1.00 0.00 C ATOM 1366 CG LYS A 87 -15.463 1.158 11.799 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.060 0.450 13.023 1.00 0.00 C ATOM 1368 CE LYS A 87 -15.895 -1.076 12.964 1.00 0.00 C ATOM 1369 NZ LYS A 87 -16.669 -1.759 14.022 1.00 0.00 N ATOM 0 H LYS A 87 -11.620 0.264 9.800 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.870 -1.056 11.036 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.518 0.791 12.646 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.517 1.954 11.335 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.706 2.219 11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.939 0.767 10.899 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.581 0.828 13.926 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.120 0.694 13.098 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.218 -1.438 11.988 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.840 -1.331 13.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.529 -2.787 13.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.344 -1.434 14.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.679 -1.538 13.911 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.674 1.278 8.685 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.113 1.710 7.364 1.00 0.00 C ATOM 1385 C LYS A 88 -13.364 2.981 6.979 1.00 0.00 C ATOM 1386 O LYS A 88 -12.621 2.980 6.007 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.647 1.877 7.274 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.275 2.782 8.352 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.741 2.446 8.673 1.00 0.00 C ATOM 1390 CE LYS A 88 -18.759 2.972 7.650 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.718 2.244 6.364 1.00 0.00 N ATOM 0 H LYS A 88 -13.044 1.946 9.130 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.871 0.929 6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -15.895 2.282 6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.108 0.891 7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.686 2.703 9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.214 3.819 8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.844 1.363 8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.987 2.855 9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -19.761 2.896 8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.569 4.030 7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -19.636 2.337 5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -17.970 2.644 5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -18.520 1.238 6.540 1.00 0.00 H new ATOM 1405 N THR A 89 -13.509 4.047 7.766 1.00 0.00 N ATOM 1406 CA THR A 89 -12.948 5.373 7.542 1.00 0.00 C ATOM 1407 C THR A 89 -11.468 5.334 7.138 1.00 0.00 C ATOM 1408 O THR A 89 -11.015 6.138 6.312 1.00 0.00 O ATOM 1409 CB THR A 89 -13.175 6.158 8.842 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.458 5.817 9.341 1.00 0.00 O ATOM 1411 CG2 THR A 89 -13.076 7.670 8.634 1.00 0.00 C ATOM 0 H THR A 89 -14.054 4.002 8.627 1.00 0.00 H new ATOM 0 HA THR A 89 -13.441 5.858 6.700 1.00 0.00 H new ATOM 0 HB THR A 89 -12.394 5.891 9.554 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.362 5.189 10.088 1.00 0.00 H new ATOM 0 HG21 THR A 89 -13.244 8.180 9.583 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.084 7.921 8.258 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.829 7.988 7.913 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.736 4.383 7.728 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.335 4.133 7.452 1.00 0.00 C ATOM 1421 C GLU A 90 -9.061 3.773 5.991 1.00 0.00 C ATOM 1422 O GLU A 90 -8.078 4.242 5.423 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.836 3.071 8.425 1.00 0.00 C ATOM 1424 CG GLU A 90 -7.348 3.283 8.708 1.00 0.00 C ATOM 1425 CD GLU A 90 -6.953 2.676 10.040 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -7.093 3.377 11.064 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -6.529 1.506 10.018 1.00 0.00 O ATOM 0 H GLU A 90 -11.123 3.752 8.430 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.776 5.056 7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.403 3.122 9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.998 2.077 8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.756 2.834 7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.124 4.350 8.710 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.940 2.990 5.358 1.00 0.00 N ATOM 1435 CA ARG A 91 -9.806 2.656 3.940 1.00 0.00 C ATOM 1436 C ARG A 91 -9.778 3.928 3.091 1.00 0.00 C ATOM 1437 O ARG A 91 -9.190 3.948 2.016 1.00 0.00 O ATOM 1438 CB ARG A 91 -10.904 1.671 3.484 1.00 0.00 C ATOM 1439 CG ARG A 91 -12.259 2.317 3.133 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.408 2.615 1.632 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.371 3.703 1.377 1.00 0.00 N ATOM 1442 CZ ARG A 91 -14.705 3.627 1.477 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -15.273 2.459 1.794 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -15.471 4.704 1.277 1.00 0.00 N ATOM 0 H ARG A 91 -10.755 2.575 5.809 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.854 2.144 3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.542 1.127 2.612 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.063 0.937 4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -13.065 1.654 3.448 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.370 3.244 3.695 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.437 2.886 1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.735 1.713 1.114 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.982 4.603 1.096 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.692 1.637 1.957 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.288 2.390 1.873 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.041 5.599 1.045 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -16.485 4.630 1.357 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.438 4.986 3.567 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.554 6.238 2.852 1.00 0.00 C ATOM 1460 C GLU A 92 -9.322 7.097 3.173 1.00 0.00 C ATOM 1461 O GLU A 92 -8.730 7.719 2.299 1.00 0.00 O ATOM 1462 CB GLU A 92 -11.885 6.868 3.291 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.454 7.840 2.254 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.344 7.071 1.294 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -12.823 6.189 0.584 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -14.580 7.200 1.407 1.00 0.00 O ATOM 0 H GLU A 92 -10.909 4.987 4.472 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.572 6.124 1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.612 6.077 3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.738 7.395 4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.024 8.627 2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.645 8.327 1.710 1.00 0.00 H new ATOM 1473 N ASP A 93 -8.944 7.116 4.454 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.842 7.889 5.023 1.00 0.00 C ATOM 1475 C ASP A 93 -6.521 7.516 4.369 1.00 0.00 C ATOM 1476 O ASP A 93 -5.817 8.356 3.817 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.794 7.649 6.544 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.086 8.903 7.333 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -7.361 9.889 7.117 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.136 8.915 8.013 1.00 0.00 O ATOM 0 H ASP A 93 -9.427 6.560 5.160 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.008 8.949 4.832 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.517 6.878 6.811 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.809 7.271 6.819 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.183 6.234 4.411 1.00 0.00 N ATOM 1486 CA LEU A 94 -4.972 5.716 3.802 1.00 0.00 C ATOM 1487 C LEU A 94 -4.880 6.135 2.339 1.00 0.00 C ATOM 1488 O LEU A 94 -3.874 6.686 1.890 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.979 4.189 3.946 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.286 3.725 5.234 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -2.784 3.787 5.002 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.611 4.543 6.489 1.00 0.00 C ATOM 0 H LEU A 94 -6.748 5.521 4.873 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.095 6.125 4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.008 3.830 3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.480 3.742 3.086 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.657 2.720 5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.263 3.462 5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.517 3.133 4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.494 4.811 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.070 4.132 7.341 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.312 5.580 6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.683 4.500 6.684 1.00 0.00 H new ATOM 1504 N ILE A 95 -5.965 5.916 1.600 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.008 6.187 0.176 1.00 0.00 C ATOM 1506 C ILE A 95 -6.155 7.694 -0.085 1.00 0.00 C ATOM 1507 O ILE A 95 -6.148 8.109 -1.241 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.095 5.298 -0.466 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -6.884 3.815 -0.093 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.144 5.433 -1.996 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -5.476 3.293 -0.382 1.00 0.00 C ATOM 0 H ILE A 95 -6.837 5.545 1.978 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.068 5.921 -0.308 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.047 5.648 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.098 3.684 0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.605 3.208 -0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.926 4.786 -2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.359 6.468 -2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.182 5.141 -2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.410 2.244 -0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.264 3.389 -1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.749 3.873 0.187 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.215 8.527 0.965 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.212 9.970 0.831 1.00 0.00 C ATOM 1525 C ALA A 96 -4.776 10.448 1.030 1.00 0.00 C ATOM 1526 O ALA A 96 -4.255 11.185 0.194 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.211 10.578 1.819 1.00 0.00 C ATOM 0 H ALA A 96 -6.267 8.205 1.931 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.538 10.295 -0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.208 11.663 1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.210 10.196 1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.927 10.308 2.836 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.095 9.964 2.079 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.668 10.206 2.242 1.00 0.00 C ATOM 1535 C TYR A 97 -1.917 9.801 0.988 1.00 0.00 C ATOM 1536 O TYR A 97 -1.201 10.616 0.417 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.065 9.442 3.427 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.529 9.406 3.446 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.211 10.523 3.008 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.172 8.252 3.852 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.617 10.516 3.034 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.578 8.214 3.793 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.307 9.349 3.399 1.00 0.00 C ATOM 1544 OH TYR A 97 3.669 9.336 3.310 1.00 0.00 O ATOM 0 H TYR A 97 -4.515 9.405 2.822 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.563 11.274 2.432 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.417 9.897 4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.440 8.419 3.412 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.310 11.398 2.647 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.373 7.392 4.211 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.166 11.409 2.773 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.101 7.305 4.053 1.00 0.00 H new ATOM 0 HH TYR A 97 3.998 8.424 3.457 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.015 8.537 0.577 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.138 8.044 -0.478 1.00 0.00 C ATOM 1556 C LEU A 98 -1.329 8.819 -1.778 1.00 0.00 C ATOM 1557 O LEU A 98 -0.406 8.924 -2.587 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.291 6.534 -0.653 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.922 5.797 0.642 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.218 4.305 0.472 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.541 6.007 1.059 1.00 0.00 C ATOM 0 H LEU A 98 -2.675 7.854 0.948 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.106 8.221 -0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.318 6.298 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.653 6.191 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.530 6.217 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.958 3.776 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.278 4.166 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.629 3.909 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.739 5.460 1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.200 5.641 0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.724 7.069 1.220 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.509 9.416 -1.943 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.849 10.200 -3.116 1.00 0.00 C ATOM 1575 C LYS A 99 -2.033 11.491 -3.223 1.00 0.00 C ATOM 1576 O LYS A 99 -1.995 12.092 -4.292 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.364 10.453 -3.130 1.00 0.00 C ATOM 1578 CG LYS A 99 -4.942 9.781 -4.371 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.464 9.913 -4.465 1.00 0.00 C ATOM 1580 CE LYS A 99 -6.826 9.235 -5.790 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.267 9.199 -6.090 1.00 0.00 N ATOM 0 H LYS A 99 -3.260 9.364 -1.255 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.582 9.629 -4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.826 10.051 -2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.572 11.523 -3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.489 10.220 -5.260 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.674 8.725 -4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.957 9.428 -3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.773 10.958 -4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.313 9.754 -6.600 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.446 8.213 -5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.410 8.881 -7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.741 8.540 -5.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.670 10.151 -5.973 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.363 11.895 -2.140 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.360 12.939 -2.142 1.00 0.00 C ATOM 1597 C LYS A 100 1.025 12.360 -1.853 1.00 0.00 C ATOM 1598 O LYS A 100 1.981 12.908 -2.368 1.00 0.00 O ATOM 1599 CB LYS A 100 -0.725 14.083 -1.187 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.835 13.646 0.280 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.802 14.810 1.279 1.00 0.00 C ATOM 1602 CE LYS A 100 0.606 15.325 1.614 1.00 0.00 C ATOM 1603 NZ LYS A 100 1.189 16.240 0.607 1.00 0.00 N ATOM 0 H LYS A 100 -1.515 11.487 -1.217 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.330 13.374 -3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.027 14.867 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.674 14.518 -1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.763 13.090 0.415 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.018 12.962 0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.390 15.635 0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.288 14.494 2.202 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.570 15.840 2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.271 14.470 1.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.047 16.681 0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.432 15.703 -0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.498 16.979 0.368 1.00 0.00 H new ATOM 1617 N ALA A 101 1.172 11.284 -1.065 1.00 0.00 N ATOM 1618 CA ALA A 101 2.469 10.682 -0.745 1.00 0.00 C ATOM 1619 C ALA A 101 3.266 10.406 -2.008 1.00 0.00 C ATOM 1620 O ALA A 101 4.457 10.685 -2.109 1.00 0.00 O ATOM 1621 CB ALA A 101 2.284 9.360 0.001 1.00 0.00 C ATOM 0 H ALA A 101 0.384 10.805 -0.629 1.00 0.00 H new ATOM 0 HA ALA A 101 3.007 11.392 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.260 8.931 0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.741 9.539 0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.719 8.667 -0.622 1.00 0.00 H new ATOM 1627 N THR A 102 2.563 9.828 -2.978 1.00 0.00 N ATOM 1628 CA THR A 102 3.119 9.431 -4.254 1.00 0.00 C ATOM 1629 C THR A 102 3.644 10.629 -5.058 1.00 0.00 C ATOM 1630 O THR A 102 4.397 10.434 -6.009 1.00 0.00 O ATOM 1631 CB THR A 102 2.038 8.637 -4.990 1.00 0.00 C ATOM 1632 OG1 THR A 102 0.825 9.366 -5.030 1.00 0.00 O ATOM 1633 CG2 THR A 102 1.785 7.317 -4.247 1.00 0.00 C ATOM 0 H THR A 102 1.568 9.621 -2.890 1.00 0.00 H new ATOM 0 HA THR A 102 3.998 8.802 -4.109 1.00 0.00 H new ATOM 0 HB THR A 102 2.380 8.448 -6.007 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.285 9.145 -4.243 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.015 6.748 -4.768 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.706 6.736 -4.214 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.454 7.529 -3.231 1.00 0.00 H new ATOM 1641 N ASN A 103 3.268 11.852 -4.666 1.00 0.00 N ATOM 1642 CA ASN A 103 3.744 13.109 -5.227 1.00 0.00 C ATOM 1643 C ASN A 103 3.847 14.169 -4.111 1.00 0.00 C ATOM 1644 O ASN A 103 3.310 15.266 -4.260 1.00 0.00 O ATOM 1645 CB ASN A 103 2.767 13.516 -6.342 1.00 0.00 C ATOM 1646 CG ASN A 103 3.223 14.740 -7.131 1.00 0.00 C ATOM 1647 OD1 ASN A 103 4.410 14.941 -7.363 1.00 0.00 O ATOM 1648 ND2 ASN A 103 2.276 15.549 -7.602 1.00 0.00 N ATOM 0 H ASN A 103 2.593 11.992 -3.914 1.00 0.00 H new ATOM 0 HA ASN A 103 4.742 13.010 -5.654 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.640 12.678 -7.027 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.790 13.719 -5.903 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.531 16.357 -8.170 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.295 15.361 -7.395 1.00 0.00 H new ATOM 1655 N GLU A 104 4.484 13.817 -2.981 1.00 0.00 N ATOM 1656 CA GLU A 104 4.806 14.737 -1.883 1.00 0.00 C ATOM 1657 C GLU A 104 6.071 15.483 -2.323 1.00 0.00 C ATOM 1658 O GLU A 104 6.093 16.725 -2.183 1.00 0.00 O ATOM 1659 CB GLU A 104 5.059 13.972 -0.553 1.00 0.00 C ATOM 1660 CG GLU A 104 3.909 13.801 0.476 1.00 0.00 C ATOM 1661 CD GLU A 104 3.818 14.827 1.615 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.674 16.021 1.272 1.00 0.00 O ATOM 1663 OE2 GLU A 104 3.678 14.412 2.798 1.00 0.00 O ATOM 1664 OXT GLU A 104 7.000 14.790 -2.797 1.00 0.00 O ATOM 0 H GLU A 104 4.795 12.862 -2.804 1.00 0.00 H new ATOM 0 HA GLU A 104 3.977 15.418 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.410 12.974 -0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.880 14.475 -0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.965 13.819 -0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.001 12.811 0.922 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.908 -3.223 2.496 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.844 -4.469 -0.673 1.00 0.00 C HETATM 1674 CHB HEC A 105 0.081 -0.769 1.055 1.00 0.00 C HETATM 1675 CHC HEC A 105 1.029 -2.235 5.653 1.00 0.00 C HETATM 1676 CHD HEC A 105 3.991 -5.659 3.935 1.00 0.00 C HETATM 1677 NA HEC A 105 1.472 -2.753 0.536 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.974 -3.369 -0.587 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.496 -2.619 -1.726 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.675 -1.616 -1.250 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.714 -1.676 0.193 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.157 -0.657 -2.071 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.899 -2.846 -3.164 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.120 -2.031 -3.604 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.830 -2.660 -4.801 1.00 0.00 C HETATM 1686 O1A HEC A 105 3.523 -2.256 -5.944 1.00 0.00 O HETATM 1687 O2A HEC A 105 4.671 -3.550 -4.557 1.00 0.00 O HETATM 1688 NB HEC A 105 0.778 -1.773 3.224 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.133 -0.860 2.458 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.463 0.089 3.367 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.290 -0.382 4.656 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.558 -1.536 4.550 1.00 0.00 C HETATM 1693 CMB HEC A 105 -0.969 1.436 2.958 1.00 0.00 C HETATM 1694 CAB HEC A 105 -0.930 0.098 5.952 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.438 0.292 5.846 1.00 0.00 C HETATM 1696 NC HEC A 105 2.403 -3.846 4.442 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.914 -3.282 5.566 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.493 -3.951 6.704 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.437 -4.822 6.209 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.287 -4.820 4.773 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.151 -3.706 8.154 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.590 -5.467 6.957 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.207 -6.619 7.881 1.00 0.00 C HETATM 1704 ND HEC A 105 3.177 -4.801 1.762 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.907 -5.634 2.553 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.598 -6.568 1.701 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.258 -6.267 0.406 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.375 -5.116 0.445 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.522 -7.684 2.132 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.704 -7.058 -0.802 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.545 -7.676 -1.600 1.00 0.00 C HETATM 1712 CGD HEC A 105 3.164 -9.098 -1.183 1.00 0.00 C HETATM 1713 O1D HEC A 105 3.981 -9.815 -0.564 1.00 0.00 O HETATM 1714 O2D HEC A 105 2.020 -9.466 -1.513 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.366 -7.266 2.680 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 4.980 -8.378 2.774 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.887 -8.214 1.252 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.361 -2.667 8.407 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.094 -3.913 8.318 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.752 -4.361 8.785 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.151 2.018 2.534 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -1.756 1.318 2.213 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.369 1.954 3.829 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.495 -0.078 -2.725 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -0.870 -1.219 -2.675 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.697 0.018 -1.406 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 2.669 -7.035 -1.497 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 3.813 -7.682 -2.657 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.510 -6.261 8.639 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.736 -7.411 7.299 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.102 -7.009 8.366 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.656 1.035 5.079 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.909 -0.654 5.579 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.829 0.635 6.804 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 2.807 -1.019 -3.860 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.819 -1.948 -2.772 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 5.279 -6.406 -1.460 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.374 -7.854 -0.477 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 2.111 -3.905 -3.309 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 1.057 -2.598 -3.810 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.658 -6.391 4.391 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.678 -1.937 6.641 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.483 0.053 0.613 1.00 0.00 H new HETATM 0 HHA HEC A 105 3.118 -4.836 -1.662 1.00 0.00 H new HETATM 0 H2A HEC A 105 4.768 -4.132 -5.340 1.00 0.00 H new