USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 ASN : amide:sc=-0.00651 K(o=1.1,f=-7.3!) USER MOD Set 1.2: A 89 LYS NZ :NH3+ 165:sc= 1.15 (180deg=-0.264) USER MOD Set 2.1: A 75 LYS NZ :NH3+ -166:sc= 1.09 (180deg=-1.36!) USER MOD Set 2.2: A 78 ASN : amide:sc= 1.69 K(o=2.8,f=-12!) USER MOD Set 3.1: A 61 TYR OH : rot 52:sc= 0.938 USER MOD Set 3.2: A 65 LYS NZ :NH3+ 147:sc= 1.03 (180deg=-1.68!) USER MOD Set 4.1: A 34 LYS NZ :NH3+ -178:sc= 1.27 (180deg=-0.000363) USER MOD Set 4.2: A 37 THR OG1 : rot -110:sc= 0.971 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 1.72 (180deg=0.6) USER MOD Single : A 6 LYS NZ :NH3+ 156:sc= 2.4 (180deg=0.0642) USER MOD Single : A 14 LYS NZ :NH3+ 146:sc= 0.0291! (180deg=-2.46!) USER MOD Single : A 15 MET CE :methyl -129:sc= -0.573 (180deg=-2.18!) USER MOD Single : A 16 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0417) USER MOD Single : A 18 TYR OH : rot 69:sc= 1.24 USER MOD Single : A 20 HIS : no HE2:sc= -2.56! X(o=-2.6!,f=-2.6) USER MOD Single : A 38 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.22) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= 0.563 (180deg=0.37) USER MOD Single : A 47 THR OG1 : rot 164:sc= 1.19 USER MOD Single : A 48 HIS : no HD1:sc= 0.44 K(o=0.44,f=-6.4!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= 0.695 (180deg=-0.846) USER MOD Single : A 62 SER OG : rot -109:sc= 0.794 USER MOD Single : A 64 ASN : amide:sc= -1.45 K(o=-1.5,f=-2.7!) USER MOD Single : A 67 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00803) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -152:sc= 1.04 (180deg=-1.21!) USER MOD Single : A 72 ASN : amide:sc= 0.602 K(o=0.6,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 1.31 K(o=1.3,f=-0.041) USER MOD Single : A 91 LYS NZ :NH3+ 155:sc= 1.96 (180deg=-0.0774!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.694 10.749 4.707 1.00 0.00 N ATOM 2 CA MET A 1 7.920 11.296 5.290 1.00 0.00 C ATOM 3 C MET A 1 7.868 11.073 6.779 1.00 0.00 C ATOM 4 O MET A 1 7.229 10.134 7.226 1.00 0.00 O ATOM 5 CB MET A 1 8.003 12.804 4.984 1.00 0.00 C ATOM 6 CG MET A 1 8.021 13.143 3.500 1.00 0.00 C ATOM 7 SD MET A 1 8.183 14.912 3.194 1.00 0.00 S ATOM 8 CE MET A 1 8.178 14.939 1.398 1.00 0.00 C ATOM 0 H1 MET A 1 6.804 10.673 3.676 1.00 0.00 H new ATOM 0 H2 MET A 1 6.510 9.806 5.106 1.00 0.00 H new ATOM 0 H3 MET A 1 5.895 11.379 4.925 1.00 0.00 H new ATOM 0 HA MET A 1 8.798 10.806 4.870 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.153 13.304 5.449 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.903 13.208 5.448 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.848 12.618 3.021 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.103 12.781 3.037 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.271 15.967 1.049 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.016 14.351 1.023 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.244 14.515 1.030 1.00 0.00 H new ATOM 20 N ALA A 2 8.609 11.870 7.533 1.00 0.00 N ATOM 21 CA ALA A 2 8.499 11.851 9.002 1.00 0.00 C ATOM 22 C ALA A 2 7.105 12.355 9.373 1.00 0.00 C ATOM 23 O ALA A 2 6.468 11.886 10.302 1.00 0.00 O ATOM 24 CB ALA A 2 9.574 12.731 9.627 1.00 0.00 C ATOM 0 H ALA A 2 9.290 12.536 7.167 1.00 0.00 H new ATOM 0 HA ALA A 2 8.644 10.839 9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.479 12.706 10.713 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.559 12.362 9.340 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.455 13.756 9.276 1.00 0.00 H new ATOM 30 N ARG A 3 6.659 13.319 8.597 1.00 0.00 N ATOM 31 CA ARG A 3 5.312 13.829 8.656 1.00 0.00 C ATOM 32 C ARG A 3 4.515 13.010 7.634 1.00 0.00 C ATOM 33 O ARG A 3 5.072 12.103 7.024 1.00 0.00 O ATOM 34 CB ARG A 3 5.295 15.303 8.211 1.00 0.00 C ATOM 35 CG ARG A 3 5.688 15.447 6.753 1.00 0.00 C ATOM 36 CD ARG A 3 5.427 16.810 6.174 1.00 0.00 C ATOM 37 NE ARG A 3 5.438 16.716 4.713 1.00 0.00 N ATOM 38 CZ ARG A 3 5.658 17.698 3.844 1.00 0.00 C ATOM 39 NH1 ARG A 3 5.949 18.936 4.271 1.00 0.00 N ATOM 40 NH2 ARG A 3 5.586 17.437 2.542 1.00 0.00 N ATOM 0 H ARG A 3 7.238 13.778 7.893 1.00 0.00 H new ATOM 0 HA ARG A 3 4.904 13.759 9.664 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.299 15.719 8.363 1.00 0.00 H new ATOM 0 HB3 ARG A 3 5.980 15.880 8.832 1.00 0.00 H new ATOM 0 HG2 ARG A 3 6.749 15.218 6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.144 14.706 6.167 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.465 17.188 6.520 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.187 17.515 6.512 1.00 0.00 H new ATOM 0 HE ARG A 3 5.257 15.794 4.317 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.003 19.131 5.271 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.116 19.682 3.596 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.365 16.494 2.222 1.00 0.00 H new ATOM 0 HH22 ARG A 3 5.752 18.180 1.863 1.00 0.00 H new ATOM 54 N ASP A 4 3.253 13.351 7.425 1.00 0.00 N ATOM 55 CA ASP A 4 2.424 12.765 6.443 1.00 0.00 C ATOM 56 C ASP A 4 2.253 11.310 6.582 1.00 0.00 C ATOM 57 O ASP A 4 1.560 10.825 7.501 1.00 0.00 O ATOM 58 CB ASP A 4 2.621 13.309 4.980 1.00 0.00 C ATOM 59 CG ASP A 4 4.030 13.174 4.359 1.00 0.00 C ATOM 60 OD1 ASP A 4 4.487 12.034 4.126 1.00 0.00 O ATOM 61 OD2 ASP A 4 4.685 14.217 4.098 1.00 0.00 O ATOM 0 H ASP A 4 2.782 14.074 7.968 1.00 0.00 H new ATOM 0 HA ASP A 4 1.430 13.145 6.677 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.915 12.793 4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.348 14.364 4.973 1.00 0.00 H new ATOM 66 N PHE A 5 2.865 10.645 5.779 1.00 0.00 N ATOM 67 CA PHE A 5 2.793 9.234 5.762 1.00 0.00 C ATOM 68 C PHE A 5 4.108 8.623 6.236 1.00 0.00 C ATOM 69 O PHE A 5 5.156 8.807 5.614 1.00 0.00 O ATOM 70 CB PHE A 5 2.414 8.731 4.389 1.00 0.00 C ATOM 71 CG PHE A 5 1.129 9.299 3.855 1.00 0.00 C ATOM 72 CD1 PHE A 5 -0.081 8.740 4.190 1.00 0.00 C ATOM 73 CD2 PHE A 5 1.143 10.383 2.995 1.00 0.00 C ATOM 74 CE1 PHE A 5 -1.259 9.245 3.677 1.00 0.00 C ATOM 75 CE2 PHE A 5 -0.030 10.893 2.484 1.00 0.00 C ATOM 76 CZ PHE A 5 -1.232 10.321 2.823 1.00 0.00 C ATOM 0 H PHE A 5 3.472 11.041 5.061 1.00 0.00 H new ATOM 0 HA PHE A 5 2.011 8.921 6.454 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.219 8.968 3.693 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.331 7.645 4.423 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.111 7.896 4.863 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.085 10.835 2.721 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.202 8.794 3.947 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.005 11.742 1.817 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.153 10.716 2.420 1.00 0.00 H new ATOM 86 N LYS A 6 4.037 7.875 7.300 1.00 0.00 N ATOM 87 CA LYS A 6 5.206 7.327 7.945 1.00 0.00 C ATOM 88 C LYS A 6 5.351 5.868 7.535 1.00 0.00 C ATOM 89 O LYS A 6 4.352 5.228 7.211 1.00 0.00 O ATOM 90 CB LYS A 6 5.075 7.395 9.503 1.00 0.00 C ATOM 91 CG LYS A 6 4.868 8.797 10.150 1.00 0.00 C ATOM 92 CD LYS A 6 3.530 9.462 9.783 1.00 0.00 C ATOM 93 CE LYS A 6 2.340 8.560 10.099 1.00 0.00 C ATOM 94 NZ LYS A 6 1.066 9.099 9.574 1.00 0.00 N ATOM 0 H LYS A 6 3.158 7.623 7.752 1.00 0.00 H new ATOM 0 HA LYS A 6 6.075 7.910 7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.238 6.762 9.797 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.974 6.955 9.935 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.928 8.698 11.234 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.684 9.452 9.844 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.429 10.400 10.329 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.527 9.709 8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.515 7.571 9.675 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.260 8.434 11.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.389 8.321 9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.675 9.787 10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.237 9.569 8.662 1.00 0.00 H new ATOM 108 N PRO A 7 6.580 5.331 7.505 1.00 0.00 N ATOM 109 CA PRO A 7 6.803 3.906 7.235 1.00 0.00 C ATOM 110 C PRO A 7 6.082 3.050 8.277 1.00 0.00 C ATOM 111 O PRO A 7 6.302 3.204 9.482 1.00 0.00 O ATOM 112 CB PRO A 7 8.323 3.741 7.375 1.00 0.00 C ATOM 113 CG PRO A 7 8.880 5.109 7.193 1.00 0.00 C ATOM 114 CD PRO A 7 7.839 6.057 7.716 1.00 0.00 C ATOM 0 HA PRO A 7 6.429 3.596 6.259 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.587 3.335 8.351 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.715 3.053 6.626 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.818 5.223 7.736 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.094 5.306 6.142 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.998 6.287 8.769 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.852 7.004 7.177 1.00 0.00 H new ATOM 122 N GLY A 8 5.207 2.198 7.814 1.00 0.00 N ATOM 123 CA GLY A 8 4.435 1.370 8.688 1.00 0.00 C ATOM 124 C GLY A 8 2.971 1.754 8.682 1.00 0.00 C ATOM 125 O GLY A 8 2.130 1.008 9.192 1.00 0.00 O ATOM 0 H GLY A 8 5.013 2.062 6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.538 0.328 8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.827 1.448 9.702 1.00 0.00 H new ATOM 129 N ASP A 9 2.661 2.908 8.082 1.00 0.00 N ATOM 130 CA ASP A 9 1.284 3.414 8.049 1.00 0.00 C ATOM 131 C ASP A 9 0.508 2.673 6.960 1.00 0.00 C ATOM 132 O ASP A 9 1.107 2.063 6.037 1.00 0.00 O ATOM 133 CB ASP A 9 1.264 4.933 7.765 1.00 0.00 C ATOM 134 CG ASP A 9 0.019 5.660 8.291 1.00 0.00 C ATOM 135 OD1 ASP A 9 -1.080 5.104 8.249 1.00 0.00 O ATOM 136 OD2 ASP A 9 0.173 6.816 8.787 1.00 0.00 O ATOM 0 H ASP A 9 3.341 3.507 7.614 1.00 0.00 H new ATOM 0 HA ASP A 9 0.819 3.244 9.020 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.150 5.385 8.211 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.334 5.090 6.689 1.00 0.00 H new ATOM 141 N LEU A 10 -0.780 2.744 7.037 1.00 0.00 N ATOM 142 CA LEU A 10 -1.657 2.046 6.162 1.00 0.00 C ATOM 143 C LEU A 10 -2.414 3.035 5.336 1.00 0.00 C ATOM 144 O LEU A 10 -3.029 3.973 5.867 1.00 0.00 O ATOM 145 CB LEU A 10 -2.593 1.207 6.986 1.00 0.00 C ATOM 146 CG LEU A 10 -1.924 0.130 7.821 1.00 0.00 C ATOM 147 CD1 LEU A 10 -2.952 -0.598 8.655 1.00 0.00 C ATOM 148 CD2 LEU A 10 -1.157 -0.833 6.924 1.00 0.00 C ATOM 0 H LEU A 10 -1.265 3.309 7.735 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.095 1.395 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.156 1.863 7.650 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.314 0.733 6.320 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.210 0.598 8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.460 -1.368 9.249 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.450 0.109 9.318 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.690 -1.062 8.000 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.682 -1.600 7.536 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.846 -1.303 6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.393 -0.286 6.371 1.00 0.00 H new ATOM 160 N ILE A 11 -2.411 2.839 4.050 1.00 0.00 N ATOM 161 CA ILE A 11 -2.968 3.807 3.156 1.00 0.00 C ATOM 162 C ILE A 11 -3.692 3.167 1.971 1.00 0.00 C ATOM 163 O ILE A 11 -3.821 1.951 1.871 1.00 0.00 O ATOM 164 CB ILE A 11 -1.843 4.800 2.653 1.00 0.00 C ATOM 165 CG1 ILE A 11 -0.634 4.057 2.056 1.00 0.00 C ATOM 166 CG2 ILE A 11 -1.373 5.716 3.762 1.00 0.00 C ATOM 167 CD1 ILE A 11 -0.780 3.627 0.628 1.00 0.00 C ATOM 0 H ILE A 11 -2.026 2.011 3.596 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.718 4.366 3.716 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.300 5.399 1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.241 4.702 2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.436 3.174 2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.601 6.384 3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.214 6.305 4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.966 5.120 4.578 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.127 3.114 0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.631 2.951 0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.943 4.502 -0.001 1.00 0.00 H new ATOM 179 N PHE A 12 -4.173 4.003 1.116 1.00 0.00 N ATOM 180 CA PHE A 12 -4.753 3.623 -0.134 1.00 0.00 C ATOM 181 C PHE A 12 -3.949 4.274 -1.197 1.00 0.00 C ATOM 182 O PHE A 12 -3.823 5.498 -1.230 1.00 0.00 O ATOM 183 CB PHE A 12 -6.228 4.010 -0.240 1.00 0.00 C ATOM 184 CG PHE A 12 -7.126 3.127 0.568 1.00 0.00 C ATOM 185 CD1 PHE A 12 -7.575 1.933 0.045 1.00 0.00 C ATOM 186 CD2 PHE A 12 -7.508 3.475 1.840 1.00 0.00 C ATOM 187 CE1 PHE A 12 -8.388 1.104 0.777 1.00 0.00 C ATOM 188 CE2 PHE A 12 -8.324 2.645 2.582 1.00 0.00 C ATOM 189 CZ PHE A 12 -8.763 1.460 2.049 1.00 0.00 C ATOM 0 H PHE A 12 -4.175 5.011 1.271 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.734 2.538 -0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.351 5.042 0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.534 3.970 -1.285 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.283 1.646 -0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.167 4.408 2.264 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.732 0.172 0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.617 2.929 3.582 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.401 0.809 2.628 1.00 0.00 H new ATOM 199 N ALA A 13 -3.370 3.476 -2.018 1.00 0.00 N ATOM 200 CA ALA A 13 -2.470 3.939 -3.007 1.00 0.00 C ATOM 201 C ALA A 13 -3.044 3.744 -4.364 1.00 0.00 C ATOM 202 O ALA A 13 -3.716 2.760 -4.628 1.00 0.00 O ATOM 203 CB ALA A 13 -1.182 3.202 -2.888 1.00 0.00 C ATOM 0 H ALA A 13 -3.511 2.466 -2.021 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.295 5.004 -2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.488 3.558 -3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.755 3.372 -1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.359 2.136 -3.028 1.00 0.00 H new ATOM 209 N LYS A 14 -2.787 4.669 -5.214 1.00 0.00 N ATOM 210 CA LYS A 14 -3.293 4.636 -6.519 1.00 0.00 C ATOM 211 C LYS A 14 -2.148 4.613 -7.533 1.00 0.00 C ATOM 212 O LYS A 14 -1.321 5.538 -7.575 1.00 0.00 O ATOM 213 CB LYS A 14 -4.196 5.867 -6.669 1.00 0.00 C ATOM 214 CG LYS A 14 -4.917 6.013 -7.985 1.00 0.00 C ATOM 215 CD LYS A 14 -3.988 6.376 -9.131 1.00 0.00 C ATOM 216 CE LYS A 14 -3.531 7.839 -9.143 1.00 0.00 C ATOM 217 NZ LYS A 14 -2.596 8.145 -8.024 1.00 0.00 N ATOM 0 H LYS A 14 -2.207 5.483 -5.009 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.873 3.733 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.940 5.844 -5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.588 6.758 -6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.427 5.079 -8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.685 6.780 -7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.108 5.735 -9.085 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.492 6.159 -10.073 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.043 8.058 -10.093 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.402 8.491 -9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.899 8.851 -8.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.132 8.523 -7.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.103 7.276 -7.736 1.00 0.00 H new ATOM 231 N MET A 15 -2.156 3.602 -8.376 1.00 0.00 N ATOM 232 CA MET A 15 -1.209 3.457 -9.476 1.00 0.00 C ATOM 233 C MET A 15 -1.959 3.576 -10.769 1.00 0.00 C ATOM 234 O MET A 15 -3.162 3.390 -10.796 1.00 0.00 O ATOM 235 CB MET A 15 -0.479 2.117 -9.463 1.00 0.00 C ATOM 236 CG MET A 15 0.414 1.907 -8.280 1.00 0.00 C ATOM 237 SD MET A 15 1.474 0.463 -8.457 1.00 0.00 S ATOM 238 CE MET A 15 0.259 -0.852 -8.571 1.00 0.00 C ATOM 0 H MET A 15 -2.832 2.840 -8.320 1.00 0.00 H new ATOM 0 HA MET A 15 -0.458 4.239 -9.364 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.217 1.315 -9.492 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.117 2.034 -10.372 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.034 2.792 -8.136 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.197 1.797 -7.384 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.505 -1.638 -7.857 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.730 -0.454 -8.346 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.263 -1.264 -9.580 1.00 0.00 H new ATOM 248 N LYS A 16 -1.277 3.901 -11.834 1.00 0.00 N ATOM 249 CA LYS A 16 -1.935 4.036 -13.108 1.00 0.00 C ATOM 250 C LYS A 16 -2.382 2.672 -13.604 1.00 0.00 C ATOM 251 O LYS A 16 -1.590 1.759 -13.733 1.00 0.00 O ATOM 252 CB LYS A 16 -1.040 4.713 -14.136 1.00 0.00 C ATOM 253 CG LYS A 16 -1.692 4.897 -15.508 1.00 0.00 C ATOM 254 CD LYS A 16 -2.921 5.805 -15.459 1.00 0.00 C ATOM 255 CE LYS A 16 -3.452 6.103 -16.865 1.00 0.00 C ATOM 256 NZ LYS A 16 -3.827 4.865 -17.615 1.00 0.00 N ATOM 0 H LYS A 16 -0.272 4.077 -11.847 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.809 4.673 -12.971 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.740 5.689 -13.754 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.130 4.124 -14.254 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.962 5.317 -16.199 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.980 3.923 -15.903 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.703 5.330 -14.866 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.665 6.739 -14.959 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.322 6.755 -16.790 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.694 6.648 -17.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.258 5.127 -18.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.976 4.292 -17.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.508 4.313 -17.056 1.00 0.00 H new ATOM 270 N GLY A 17 -3.652 2.568 -13.874 1.00 0.00 N ATOM 271 CA GLY A 17 -4.231 1.305 -14.290 1.00 0.00 C ATOM 272 C GLY A 17 -4.926 0.615 -13.131 1.00 0.00 C ATOM 273 O GLY A 17 -5.691 -0.346 -13.319 1.00 0.00 O ATOM 0 H GLY A 17 -4.315 3.341 -13.816 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.944 1.476 -15.096 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.450 0.657 -14.688 1.00 0.00 H new ATOM 277 N TYR A 18 -4.677 1.111 -11.945 1.00 0.00 N ATOM 278 CA TYR A 18 -5.254 0.589 -10.742 1.00 0.00 C ATOM 279 C TYR A 18 -6.114 1.643 -10.063 1.00 0.00 C ATOM 280 O TYR A 18 -5.863 2.840 -10.195 1.00 0.00 O ATOM 281 CB TYR A 18 -4.157 0.143 -9.757 1.00 0.00 C ATOM 282 CG TYR A 18 -3.429 -1.137 -10.110 1.00 0.00 C ATOM 283 CD1 TYR A 18 -2.318 -1.143 -10.945 1.00 0.00 C ATOM 284 CD2 TYR A 18 -3.846 -2.345 -9.575 1.00 0.00 C ATOM 285 CE1 TYR A 18 -1.652 -2.325 -11.233 1.00 0.00 C ATOM 286 CE2 TYR A 18 -3.188 -3.519 -9.853 1.00 0.00 C ATOM 287 CZ TYR A 18 -2.098 -3.509 -10.681 1.00 0.00 C ATOM 288 OH TYR A 18 -1.438 -4.680 -10.932 1.00 0.00 O ATOM 0 H TYR A 18 -4.055 1.904 -11.791 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.868 -0.269 -11.017 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.423 0.944 -9.674 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.608 0.021 -8.772 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.969 -0.216 -11.375 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.708 -2.365 -8.925 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.791 -2.319 -11.884 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.530 -4.447 -9.419 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.561 -4.661 -10.496 1.00 0.00 H new ATOM 298 N PRO A 19 -7.165 1.216 -9.370 1.00 0.00 N ATOM 299 CA PRO A 19 -7.945 2.097 -8.524 1.00 0.00 C ATOM 300 C PRO A 19 -7.198 2.288 -7.204 1.00 0.00 C ATOM 301 O PRO A 19 -6.154 1.653 -6.996 1.00 0.00 O ATOM 302 CB PRO A 19 -9.241 1.314 -8.297 1.00 0.00 C ATOM 303 CG PRO A 19 -8.836 -0.115 -8.384 1.00 0.00 C ATOM 304 CD PRO A 19 -7.686 -0.168 -9.353 1.00 0.00 C ATOM 0 HA PRO A 19 -8.124 3.085 -8.949 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.678 1.544 -7.325 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.990 1.560 -9.050 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.539 -0.496 -7.407 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.664 -0.734 -8.729 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.924 -0.877 -9.029 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.014 -0.483 -10.344 1.00 0.00 H new ATOM 312 N HIS A 20 -7.670 3.194 -6.359 1.00 0.00 N ATOM 313 CA HIS A 20 -7.076 3.364 -5.034 1.00 0.00 C ATOM 314 C HIS A 20 -7.157 2.019 -4.294 1.00 0.00 C ATOM 315 O HIS A 20 -8.240 1.541 -3.977 1.00 0.00 O ATOM 316 CB HIS A 20 -7.792 4.466 -4.234 1.00 0.00 C ATOM 317 CG HIS A 20 -7.596 5.853 -4.776 1.00 0.00 C ATOM 318 ND1 HIS A 20 -8.398 6.441 -5.738 1.00 0.00 N ATOM 319 CD2 HIS A 20 -6.642 6.762 -4.489 1.00 0.00 C ATOM 320 CE1 HIS A 20 -7.902 7.655 -6.004 1.00 0.00 C ATOM 321 NE2 HIS A 20 -6.836 7.899 -5.274 1.00 0.00 N ATOM 0 H HIS A 20 -8.452 3.817 -6.560 1.00 0.00 H new ATOM 0 HA HIS A 20 -6.036 3.673 -5.141 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.859 4.246 -4.210 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.438 4.438 -3.203 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -9.222 6.023 -6.169 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.852 6.630 -3.765 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.322 8.343 -6.723 1.00 0.00 H new ATOM 329 N TRP A 21 -6.023 1.433 -4.079 1.00 0.00 N ATOM 330 CA TRP A 21 -5.894 0.087 -3.595 1.00 0.00 C ATOM 331 C TRP A 21 -5.308 0.123 -2.186 1.00 0.00 C ATOM 332 O TRP A 21 -4.456 0.973 -1.901 1.00 0.00 O ATOM 333 CB TRP A 21 -4.915 -0.601 -4.550 1.00 0.00 C ATOM 334 CG TRP A 21 -4.885 -2.092 -4.536 1.00 0.00 C ATOM 335 CD1 TRP A 21 -4.334 -2.910 -3.598 1.00 0.00 C ATOM 336 CD2 TRP A 21 -5.386 -2.940 -5.566 1.00 0.00 C ATOM 337 NE1 TRP A 21 -4.491 -4.216 -3.973 1.00 0.00 N ATOM 338 CE2 TRP A 21 -5.126 -4.259 -5.184 1.00 0.00 C ATOM 339 CE3 TRP A 21 -6.040 -2.702 -6.776 1.00 0.00 C ATOM 340 CZ2 TRP A 21 -5.493 -5.340 -5.969 1.00 0.00 C ATOM 341 CZ3 TRP A 21 -6.404 -3.778 -7.558 1.00 0.00 C ATOM 342 CH2 TRP A 21 -6.128 -5.084 -7.150 1.00 0.00 C ATOM 0 H TRP A 21 -5.126 1.891 -4.240 1.00 0.00 H new ATOM 0 HA TRP A 21 -6.849 -0.436 -3.556 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -5.148 -0.277 -5.564 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.912 -0.241 -4.323 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.846 -2.578 -2.694 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -4.184 -5.027 -3.436 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -6.257 -1.693 -7.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -5.283 -6.352 -5.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -6.909 -3.608 -8.498 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -6.423 -5.909 -7.782 1.00 0.00 H new ATOM 353 N PRO A 22 -5.764 -0.760 -1.281 1.00 0.00 N ATOM 354 CA PRO A 22 -5.234 -0.829 0.080 1.00 0.00 C ATOM 355 C PRO A 22 -3.754 -1.204 0.061 1.00 0.00 C ATOM 356 O PRO A 22 -3.369 -2.288 -0.415 1.00 0.00 O ATOM 357 CB PRO A 22 -6.069 -1.937 0.749 1.00 0.00 C ATOM 358 CG PRO A 22 -6.677 -2.710 -0.373 1.00 0.00 C ATOM 359 CD PRO A 22 -6.823 -1.753 -1.517 1.00 0.00 C ATOM 0 HA PRO A 22 -5.301 0.122 0.608 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.445 -2.576 1.373 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.838 -1.513 1.395 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.045 -3.553 -0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.645 -3.119 -0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.695 -2.254 -2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.810 -1.290 -1.528 1.00 0.00 H new ATOM 367 N ALA A 23 -2.930 -0.328 0.563 1.00 0.00 N ATOM 368 CA ALA A 23 -1.534 -0.521 0.525 1.00 0.00 C ATOM 369 C ALA A 23 -0.868 -0.021 1.797 1.00 0.00 C ATOM 370 O ALA A 23 -1.478 0.652 2.623 1.00 0.00 O ATOM 371 CB ALA A 23 -0.965 0.145 -0.696 1.00 0.00 C ATOM 0 H ALA A 23 -3.224 0.541 1.010 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.330 -1.590 0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.114 -0.006 -0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.414 -0.288 -1.590 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.182 1.213 -0.662 1.00 0.00 H new ATOM 377 N ARG A 24 0.343 -0.389 1.955 1.00 0.00 N ATOM 378 CA ARG A 24 1.136 -0.077 3.104 1.00 0.00 C ATOM 379 C ARG A 24 2.288 0.833 2.726 1.00 0.00 C ATOM 380 O ARG A 24 2.887 0.666 1.663 1.00 0.00 O ATOM 381 CB ARG A 24 1.671 -1.407 3.655 1.00 0.00 C ATOM 382 CG ARG A 24 2.837 -1.315 4.609 1.00 0.00 C ATOM 383 CD ARG A 24 3.312 -2.699 5.012 1.00 0.00 C ATOM 384 NE ARG A 24 4.577 -2.632 5.730 1.00 0.00 N ATOM 385 CZ ARG A 24 4.721 -2.617 7.048 1.00 0.00 C ATOM 386 NH1 ARG A 24 3.661 -2.799 7.854 1.00 0.00 N ATOM 387 NH2 ARG A 24 5.920 -2.464 7.564 1.00 0.00 N ATOM 0 H ARG A 24 0.844 -0.943 1.260 1.00 0.00 H new ATOM 0 HA ARG A 24 0.539 0.445 3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.854 -1.921 4.162 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.967 -2.032 2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.654 -0.767 4.140 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.544 -0.753 5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.559 -3.177 5.639 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.427 -3.320 4.124 1.00 0.00 H new ATOM 0 HE ARG A 24 5.428 -2.593 5.169 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.735 -2.950 7.453 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.782 -2.786 8.867 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.729 -2.358 6.952 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.042 -2.451 8.577 1.00 0.00 H new ATOM 401 N VAL A 25 2.571 1.806 3.567 1.00 0.00 N ATOM 402 CA VAL A 25 3.775 2.585 3.413 1.00 0.00 C ATOM 403 C VAL A 25 4.837 1.743 4.054 1.00 0.00 C ATOM 404 O VAL A 25 4.816 1.544 5.260 1.00 0.00 O ATOM 405 CB VAL A 25 3.706 3.953 4.130 1.00 0.00 C ATOM 406 CG1 VAL A 25 4.982 4.752 3.881 1.00 0.00 C ATOM 407 CG2 VAL A 25 2.499 4.735 3.668 1.00 0.00 C ATOM 0 H VAL A 25 1.986 2.073 4.359 1.00 0.00 H new ATOM 0 HA VAL A 25 3.955 2.813 2.362 1.00 0.00 H new ATOM 0 HB VAL A 25 3.612 3.773 5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.916 5.712 4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.839 4.196 4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.104 4.919 2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.468 5.695 4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.564 4.903 2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.593 4.172 3.893 1.00 0.00 H new ATOM 417 N ASP A 26 5.699 1.218 3.277 1.00 0.00 N ATOM 418 CA ASP A 26 6.617 0.216 3.762 1.00 0.00 C ATOM 419 C ASP A 26 7.907 0.849 4.256 1.00 0.00 C ATOM 420 O ASP A 26 8.151 2.046 4.033 1.00 0.00 O ATOM 421 CB ASP A 26 6.902 -0.777 2.646 1.00 0.00 C ATOM 422 CG ASP A 26 7.326 -2.108 3.164 1.00 0.00 C ATOM 423 OD1 ASP A 26 6.626 -2.654 4.031 1.00 0.00 O ATOM 424 OD2 ASP A 26 8.347 -2.646 2.718 1.00 0.00 O ATOM 0 H ASP A 26 5.805 1.454 2.290 1.00 0.00 H new ATOM 0 HA ASP A 26 6.163 -0.303 4.606 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.009 -0.897 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.682 -0.377 1.998 1.00 0.00 H new ATOM 429 N GLU A 27 8.713 0.079 4.934 1.00 0.00 N ATOM 430 CA GLU A 27 9.984 0.557 5.404 1.00 0.00 C ATOM 431 C GLU A 27 11.091 0.038 4.506 1.00 0.00 C ATOM 432 O GLU A 27 11.073 -1.124 4.081 1.00 0.00 O ATOM 433 CB GLU A 27 10.271 0.261 6.912 1.00 0.00 C ATOM 434 CG GLU A 27 10.301 -1.213 7.350 1.00 0.00 C ATOM 435 CD GLU A 27 8.934 -1.845 7.472 1.00 0.00 C ATOM 436 OE1 GLU A 27 8.388 -2.320 6.457 1.00 0.00 O ATOM 437 OE2 GLU A 27 8.388 -1.903 8.577 1.00 0.00 O ATOM 0 H GLU A 27 8.509 -0.891 5.175 1.00 0.00 H new ATOM 0 HA GLU A 27 9.948 1.645 5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.232 0.708 7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.514 0.774 7.506 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.891 -1.783 6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.811 -1.286 8.311 1.00 0.00 H new ATOM 444 N VAL A 28 12.033 0.907 4.207 1.00 0.00 N ATOM 445 CA VAL A 28 13.115 0.604 3.294 1.00 0.00 C ATOM 446 C VAL A 28 14.086 -0.378 3.911 1.00 0.00 C ATOM 447 O VAL A 28 14.592 -0.158 5.015 1.00 0.00 O ATOM 448 CB VAL A 28 13.882 1.881 2.882 1.00 0.00 C ATOM 449 CG1 VAL A 28 14.974 1.582 1.864 1.00 0.00 C ATOM 450 CG2 VAL A 28 12.928 2.903 2.341 1.00 0.00 C ATOM 0 H VAL A 28 12.070 1.850 4.593 1.00 0.00 H new ATOM 0 HA VAL A 28 12.665 0.160 2.406 1.00 0.00 H new ATOM 0 HB VAL A 28 14.367 2.279 3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.489 2.506 1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.688 0.878 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.528 1.148 0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.479 3.799 2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.416 2.497 1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.195 3.158 3.106 1.00 0.00 H new ATOM 460 N PRO A 29 14.333 -1.482 3.228 1.00 0.00 N ATOM 461 CA PRO A 29 15.276 -2.459 3.680 1.00 0.00 C ATOM 462 C PRO A 29 16.701 -2.090 3.294 1.00 0.00 C ATOM 463 O PRO A 29 16.923 -1.271 2.385 1.00 0.00 O ATOM 464 CB PRO A 29 14.859 -3.723 2.944 1.00 0.00 C ATOM 465 CG PRO A 29 14.253 -3.236 1.669 1.00 0.00 C ATOM 466 CD PRO A 29 13.683 -1.872 1.965 1.00 0.00 C ATOM 0 HA PRO A 29 15.273 -2.556 4.766 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.715 -4.371 2.754 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.143 -4.303 3.527 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.002 -3.181 0.879 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.474 -3.916 1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.905 -1.164 1.166 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.598 -1.906 2.068 1.00 0.00 H new ATOM 474 N ASP A 30 17.657 -2.692 3.960 1.00 0.00 N ATOM 475 CA ASP A 30 19.042 -2.488 3.606 1.00 0.00 C ATOM 476 C ASP A 30 19.310 -3.148 2.270 1.00 0.00 C ATOM 477 O ASP A 30 18.673 -4.153 1.917 1.00 0.00 O ATOM 478 CB ASP A 30 20.004 -2.998 4.677 1.00 0.00 C ATOM 479 CG ASP A 30 21.449 -2.779 4.267 1.00 0.00 C ATOM 480 OD1 ASP A 30 21.766 -1.657 3.791 1.00 0.00 O ATOM 481 OD2 ASP A 30 22.238 -3.725 4.353 1.00 0.00 O ATOM 0 H ASP A 30 17.503 -3.324 4.746 1.00 0.00 H new ATOM 0 HA ASP A 30 19.221 -1.415 3.531 1.00 0.00 H new ATOM 0 HB2 ASP A 30 19.809 -2.485 5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.829 -4.060 4.850 1.00 0.00 H new ATOM 486 N GLY A 31 20.167 -2.550 1.512 1.00 0.00 N ATOM 487 CA GLY A 31 20.437 -2.994 0.181 1.00 0.00 C ATOM 488 C GLY A 31 19.718 -2.096 -0.776 1.00 0.00 C ATOM 489 O GLY A 31 20.217 -1.755 -1.844 1.00 0.00 O ATOM 0 H GLY A 31 20.705 -1.733 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 31 21.509 -2.974 -0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 31 20.108 -4.025 0.052 1.00 0.00 H new ATOM 493 N ALA A 32 18.559 -1.642 -0.346 1.00 0.00 N ATOM 494 CA ALA A 32 17.737 -0.730 -1.102 1.00 0.00 C ATOM 495 C ALA A 32 18.037 0.689 -0.641 1.00 0.00 C ATOM 496 O ALA A 32 17.161 1.534 -0.563 1.00 0.00 O ATOM 497 CB ALA A 32 16.299 -1.078 -0.861 1.00 0.00 C ATOM 0 H ALA A 32 18.158 -1.903 0.555 1.00 0.00 H new ATOM 0 HA ALA A 32 17.945 -0.803 -2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.661 -0.398 -1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.113 -2.102 -1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 32 16.076 -0.987 0.202 1.00 0.00 H new ATOM 503 N VAL A 33 19.315 0.933 -0.490 1.00 0.00 N ATOM 504 CA VAL A 33 19.940 2.152 0.079 1.00 0.00 C ATOM 505 C VAL A 33 19.720 3.457 -0.728 1.00 0.00 C ATOM 506 O VAL A 33 20.421 4.450 -0.518 1.00 0.00 O ATOM 507 CB VAL A 33 21.447 1.917 0.191 1.00 0.00 C ATOM 508 CG1 VAL A 33 21.720 0.736 1.108 1.00 0.00 C ATOM 509 CG2 VAL A 33 22.044 1.664 -1.191 1.00 0.00 C ATOM 0 H VAL A 33 20.016 0.249 -0.775 1.00 0.00 H new ATOM 0 HA VAL A 33 19.451 2.307 1.041 1.00 0.00 H new ATOM 0 HB VAL A 33 21.914 2.806 0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 33 22.795 0.575 1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 33 21.314 0.943 2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 33 21.246 -0.158 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 33 23.117 1.498 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 33 21.577 0.784 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.864 2.529 -1.829 1.00 0.00 H new ATOM 519 N LYS A 34 18.784 3.442 -1.618 1.00 0.00 N ATOM 520 CA LYS A 34 18.457 4.599 -2.406 1.00 0.00 C ATOM 521 C LYS A 34 17.916 5.763 -1.545 1.00 0.00 C ATOM 522 O LYS A 34 17.090 5.552 -0.657 1.00 0.00 O ATOM 523 CB LYS A 34 17.527 4.249 -3.618 1.00 0.00 C ATOM 524 CG LYS A 34 16.321 3.290 -3.371 1.00 0.00 C ATOM 525 CD LYS A 34 15.258 3.806 -2.381 1.00 0.00 C ATOM 526 CE LYS A 34 14.657 5.153 -2.790 1.00 0.00 C ATOM 527 NZ LYS A 34 14.002 5.123 -4.124 1.00 0.00 N ATOM 0 H LYS A 34 18.215 2.621 -1.826 1.00 0.00 H new ATOM 0 HA LYS A 34 19.391 4.958 -2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 34 17.132 5.184 -4.015 1.00 0.00 H new ATOM 0 HB3 LYS A 34 18.148 3.808 -4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.836 3.090 -4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.705 2.339 -3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.459 3.069 -2.299 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.707 3.901 -1.392 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.927 5.460 -2.041 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.444 5.907 -2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.646 6.072 -4.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.692 4.826 -4.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.209 4.450 -4.106 1.00 0.00 H new ATOM 541 N PRO A 35 18.388 7.001 -1.793 1.00 0.00 N ATOM 542 CA PRO A 35 17.939 8.174 -1.039 1.00 0.00 C ATOM 543 C PRO A 35 16.457 8.505 -1.321 1.00 0.00 C ATOM 544 O PRO A 35 15.868 7.995 -2.314 1.00 0.00 O ATOM 545 CB PRO A 35 18.844 9.316 -1.546 1.00 0.00 C ATOM 546 CG PRO A 35 19.940 8.662 -2.312 1.00 0.00 C ATOM 547 CD PRO A 35 19.398 7.357 -2.805 1.00 0.00 C ATOM 0 HA PRO A 35 18.009 8.013 0.037 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.284 10.006 -2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 35 19.242 9.897 -0.714 1.00 0.00 H new ATOM 0 HG2 PRO A 35 20.258 9.289 -3.145 1.00 0.00 H new ATOM 0 HG3 PRO A 35 20.814 8.505 -1.680 1.00 0.00 H new ATOM 0 HD2 PRO A 35 18.956 7.455 -3.797 1.00 0.00 H new ATOM 0 HD3 PRO A 35 20.178 6.600 -2.877 1.00 0.00 H new ATOM 555 N PRO A 36 15.824 9.352 -0.466 1.00 0.00 N ATOM 556 CA PRO A 36 14.429 9.729 -0.624 1.00 0.00 C ATOM 557 C PRO A 36 14.166 10.320 -2.003 1.00 0.00 C ATOM 558 O PRO A 36 14.838 11.232 -2.451 1.00 0.00 O ATOM 559 CB PRO A 36 14.189 10.774 0.479 1.00 0.00 C ATOM 560 CG PRO A 36 15.547 11.198 0.905 1.00 0.00 C ATOM 561 CD PRO A 36 16.430 10.008 0.701 1.00 0.00 C ATOM 0 HA PRO A 36 13.760 8.872 -0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.611 11.619 0.104 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.629 10.348 1.311 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.894 12.047 0.316 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.549 11.512 1.949 1.00 0.00 H new ATOM 0 HD2 PRO A 36 17.463 10.298 0.511 1.00 0.00 H new ATOM 0 HD3 PRO A 36 16.438 9.355 1.574 1.00 0.00 H new ATOM 569 N THR A 37 13.184 9.783 -2.647 1.00 0.00 N ATOM 570 CA THR A 37 12.848 10.138 -4.006 1.00 0.00 C ATOM 571 C THR A 37 11.641 11.091 -4.007 1.00 0.00 C ATOM 572 O THR A 37 11.036 11.356 -5.050 1.00 0.00 O ATOM 573 CB THR A 37 12.505 8.835 -4.765 1.00 0.00 C ATOM 574 OG1 THR A 37 13.518 7.840 -4.442 1.00 0.00 O ATOM 575 CG2 THR A 37 12.485 9.058 -6.279 1.00 0.00 C ATOM 0 H THR A 37 12.575 9.071 -2.245 1.00 0.00 H new ATOM 0 HA THR A 37 13.683 10.644 -4.491 1.00 0.00 H new ATOM 0 HB THR A 37 11.513 8.500 -4.462 1.00 0.00 H new ATOM 0 HG1 THR A 37 14.076 7.673 -5.230 1.00 0.00 H new ATOM 0 HG21 THR A 37 12.241 8.122 -6.781 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.735 9.809 -6.526 1.00 0.00 H new ATOM 0 HG23 THR A 37 13.465 9.402 -6.609 1.00 0.00 H new ATOM 583 N ASN A 38 11.261 11.549 -2.794 1.00 0.00 N ATOM 584 CA ASN A 38 10.042 12.367 -2.590 1.00 0.00 C ATOM 585 C ASN A 38 8.795 11.462 -2.718 1.00 0.00 C ATOM 586 O ASN A 38 7.646 11.874 -2.640 1.00 0.00 O ATOM 587 CB ASN A 38 10.066 13.634 -3.528 1.00 0.00 C ATOM 588 CG ASN A 38 8.724 14.102 -4.046 1.00 0.00 C ATOM 589 OD1 ASN A 38 8.031 14.894 -3.417 1.00 0.00 O ATOM 590 ND2 ASN A 38 8.374 13.632 -5.226 1.00 0.00 N ATOM 0 H ASN A 38 11.783 11.366 -1.937 1.00 0.00 H new ATOM 0 HA ASN A 38 10.003 12.780 -1.582 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.529 14.456 -2.983 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.707 13.417 -4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.495 13.926 -5.652 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.982 12.974 -5.714 1.00 0.00 H new ATOM 597 N LYS A 39 9.084 10.192 -2.784 1.00 0.00 N ATOM 598 CA LYS A 39 8.110 9.165 -2.850 1.00 0.00 C ATOM 599 C LYS A 39 8.346 8.204 -1.731 1.00 0.00 C ATOM 600 O LYS A 39 9.444 8.174 -1.144 1.00 0.00 O ATOM 601 CB LYS A 39 8.156 8.412 -4.175 1.00 0.00 C ATOM 602 CG LYS A 39 7.696 9.200 -5.383 1.00 0.00 C ATOM 603 CD LYS A 39 7.585 8.274 -6.571 1.00 0.00 C ATOM 604 CE LYS A 39 6.832 8.898 -7.724 1.00 0.00 C ATOM 605 NZ LYS A 39 6.552 7.886 -8.775 1.00 0.00 N ATOM 0 H LYS A 39 10.042 9.842 -2.793 1.00 0.00 H new ATOM 0 HA LYS A 39 7.127 9.628 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.179 8.077 -4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.538 7.518 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.732 9.668 -5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.401 10.003 -5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.584 7.994 -6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.081 7.357 -6.267 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.896 9.326 -7.365 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.415 9.716 -8.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.771 8.217 -9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.402 7.746 -9.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.287 6.985 -8.328 1.00 0.00 H new ATOM 619 N LEU A 40 7.358 7.427 -1.462 1.00 0.00 N ATOM 620 CA LEU A 40 7.381 6.455 -0.411 1.00 0.00 C ATOM 621 C LEU A 40 7.215 5.073 -1.019 1.00 0.00 C ATOM 622 O LEU A 40 6.564 4.936 -2.075 1.00 0.00 O ATOM 623 CB LEU A 40 6.229 6.744 0.560 1.00 0.00 C ATOM 624 CG LEU A 40 6.279 8.099 1.279 1.00 0.00 C ATOM 625 CD1 LEU A 40 4.971 8.372 1.976 1.00 0.00 C ATOM 626 CD2 LEU A 40 7.406 8.120 2.295 1.00 0.00 C ATOM 0 H LEU A 40 6.480 7.446 -1.980 1.00 0.00 H new ATOM 0 HA LEU A 40 8.326 6.501 0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.291 6.682 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.208 5.956 1.313 1.00 0.00 H new ATOM 0 HG LEU A 40 6.457 8.873 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.022 9.336 2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.165 8.389 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.779 7.588 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.427 9.088 2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.246 7.334 3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.356 7.953 1.788 1.00 0.00 H new ATOM 638 N PRO A 41 7.842 4.043 -0.425 1.00 0.00 N ATOM 639 CA PRO A 41 7.661 2.677 -0.877 1.00 0.00 C ATOM 640 C PRO A 41 6.280 2.187 -0.473 1.00 0.00 C ATOM 641 O PRO A 41 5.904 2.223 0.704 1.00 0.00 O ATOM 642 CB PRO A 41 8.758 1.891 -0.149 1.00 0.00 C ATOM 643 CG PRO A 41 9.118 2.711 1.041 1.00 0.00 C ATOM 644 CD PRO A 41 8.765 4.139 0.723 1.00 0.00 C ATOM 0 HA PRO A 41 7.731 2.567 -1.959 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.402 0.905 0.148 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.623 1.736 -0.794 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.576 2.368 1.922 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.181 2.618 1.264 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.292 4.630 1.573 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.652 4.721 0.472 1.00 0.00 H new ATOM 652 N ILE A 42 5.526 1.767 -1.428 1.00 0.00 N ATOM 653 CA ILE A 42 4.180 1.365 -1.192 1.00 0.00 C ATOM 654 C ILE A 42 4.014 -0.111 -1.493 1.00 0.00 C ATOM 655 O ILE A 42 4.172 -0.543 -2.625 1.00 0.00 O ATOM 656 CB ILE A 42 3.185 2.188 -2.055 1.00 0.00 C ATOM 657 CG1 ILE A 42 3.346 3.708 -1.819 1.00 0.00 C ATOM 658 CG2 ILE A 42 1.761 1.757 -1.778 1.00 0.00 C ATOM 659 CD1 ILE A 42 3.135 4.156 -0.382 1.00 0.00 C ATOM 0 H ILE A 42 5.825 1.692 -2.400 1.00 0.00 H new ATOM 0 HA ILE A 42 3.958 1.550 -0.141 1.00 0.00 H new ATOM 0 HB ILE A 42 3.415 1.991 -3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.346 4.007 -2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.639 4.237 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.077 2.344 -2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.647 0.700 -2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.531 1.916 -0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.268 5.236 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.126 3.894 -0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.859 3.660 0.264 1.00 0.00 H new ATOM 671 N PHE A 43 3.711 -0.855 -0.489 1.00 0.00 N ATOM 672 CA PHE A 43 3.488 -2.273 -0.606 1.00 0.00 C ATOM 673 C PHE A 43 1.999 -2.514 -0.749 1.00 0.00 C ATOM 674 O PHE A 43 1.230 -2.186 0.146 1.00 0.00 O ATOM 675 CB PHE A 43 4.033 -3.013 0.635 1.00 0.00 C ATOM 676 CG PHE A 43 3.797 -4.508 0.619 1.00 0.00 C ATOM 677 CD1 PHE A 43 4.703 -5.357 0.013 1.00 0.00 C ATOM 678 CD2 PHE A 43 2.657 -5.057 1.204 1.00 0.00 C ATOM 679 CE1 PHE A 43 4.484 -6.720 -0.009 1.00 0.00 C ATOM 680 CE2 PHE A 43 2.435 -6.416 1.180 1.00 0.00 C ATOM 681 CZ PHE A 43 3.347 -7.246 0.575 1.00 0.00 C ATOM 0 H PHE A 43 3.606 -0.499 0.461 1.00 0.00 H new ATOM 0 HA PHE A 43 4.014 -2.656 -1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.104 -2.826 0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.569 -2.593 1.527 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.591 -4.951 -0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.938 -4.408 1.682 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.201 -7.375 -0.482 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.547 -6.828 1.635 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.175 -8.312 0.556 1.00 0.00 H new ATOM 691 N PHE A 44 1.602 -3.033 -1.865 1.00 0.00 N ATOM 692 CA PHE A 44 0.186 -3.315 -2.116 1.00 0.00 C ATOM 693 C PHE A 44 -0.261 -4.632 -1.521 1.00 0.00 C ATOM 694 O PHE A 44 0.405 -5.663 -1.668 1.00 0.00 O ATOM 695 CB PHE A 44 -0.145 -3.258 -3.602 1.00 0.00 C ATOM 696 CG PHE A 44 -0.127 -1.870 -4.137 1.00 0.00 C ATOM 697 CD1 PHE A 44 1.050 -1.271 -4.514 1.00 0.00 C ATOM 698 CD2 PHE A 44 -1.298 -1.150 -4.234 1.00 0.00 C ATOM 699 CE1 PHE A 44 1.057 0.013 -4.981 1.00 0.00 C ATOM 700 CE2 PHE A 44 -1.295 0.140 -4.697 1.00 0.00 C ATOM 701 CZ PHE A 44 -0.115 0.721 -5.070 1.00 0.00 C ATOM 0 H PHE A 44 2.225 -3.279 -2.634 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.372 -2.527 -1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.572 -3.866 -4.154 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.129 -3.695 -3.769 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.978 -1.819 -4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.231 -1.609 -3.941 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.988 0.472 -5.281 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.219 0.694 -4.767 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.105 1.737 -5.435 1.00 0.00 H new ATOM 711 N PHE A 45 -1.390 -4.601 -0.857 1.00 0.00 N ATOM 712 CA PHE A 45 -1.943 -5.778 -0.246 1.00 0.00 C ATOM 713 C PHE A 45 -2.744 -6.577 -1.254 1.00 0.00 C ATOM 714 O PHE A 45 -3.283 -6.026 -2.212 1.00 0.00 O ATOM 715 CB PHE A 45 -2.825 -5.422 0.947 1.00 0.00 C ATOM 716 CG PHE A 45 -2.084 -4.867 2.116 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.275 -5.683 2.871 1.00 0.00 C ATOM 718 CD2 PHE A 45 -2.199 -3.541 2.463 1.00 0.00 C ATOM 719 CE1 PHE A 45 -0.592 -5.192 3.951 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.519 -3.039 3.549 1.00 0.00 C ATOM 721 CZ PHE A 45 -0.712 -3.869 4.295 1.00 0.00 C ATOM 0 H PHE A 45 -1.949 -3.758 -0.727 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.110 -6.384 0.110 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.572 -4.695 0.627 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.364 -6.315 1.264 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.177 -6.726 2.608 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.829 -2.888 1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.041 -5.846 4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.618 -1.997 3.816 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.175 -3.480 5.148 1.00 0.00 H new ATOM 731 N GLY A 46 -2.793 -7.864 -1.046 1.00 0.00 N ATOM 732 CA GLY A 46 -3.527 -8.788 -1.884 1.00 0.00 C ATOM 733 C GLY A 46 -2.831 -9.133 -3.178 1.00 0.00 C ATOM 734 O GLY A 46 -3.120 -10.159 -3.778 1.00 0.00 O ATOM 0 H GLY A 46 -2.312 -8.317 -0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.706 -9.706 -1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.503 -8.359 -2.112 1.00 0.00 H new ATOM 738 N THR A 47 -1.911 -8.311 -3.603 1.00 0.00 N ATOM 739 CA THR A 47 -1.129 -8.619 -4.769 1.00 0.00 C ATOM 740 C THR A 47 0.343 -8.706 -4.398 1.00 0.00 C ATOM 741 O THR A 47 1.121 -9.381 -5.063 1.00 0.00 O ATOM 742 CB THR A 47 -1.334 -7.549 -5.852 1.00 0.00 C ATOM 743 OG1 THR A 47 -1.117 -6.245 -5.283 1.00 0.00 O ATOM 744 CG2 THR A 47 -2.737 -7.626 -6.441 1.00 0.00 C ATOM 0 H THR A 47 -1.684 -7.421 -3.159 1.00 0.00 H new ATOM 0 HA THR A 47 -1.456 -9.581 -5.164 1.00 0.00 H new ATOM 0 HB THR A 47 -0.618 -7.728 -6.654 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.992 -5.591 -6.002 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.854 -6.857 -7.205 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.890 -8.608 -6.888 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.472 -7.468 -5.652 1.00 0.00 H new ATOM 752 N HIS A 48 0.703 -8.049 -3.275 1.00 0.00 N ATOM 753 CA HIS A 48 2.073 -8.027 -2.749 1.00 0.00 C ATOM 754 C HIS A 48 3.027 -7.285 -3.673 1.00 0.00 C ATOM 755 O HIS A 48 4.240 -7.462 -3.598 1.00 0.00 O ATOM 756 CB HIS A 48 2.592 -9.437 -2.375 1.00 0.00 C ATOM 757 CG HIS A 48 1.988 -9.990 -1.109 1.00 0.00 C ATOM 758 ND1 HIS A 48 2.744 -10.517 -0.075 1.00 0.00 N ATOM 759 CD2 HIS A 48 0.697 -10.107 -0.713 1.00 0.00 C ATOM 760 CE1 HIS A 48 1.933 -10.929 0.891 1.00 0.00 C ATOM 761 NE2 HIS A 48 0.701 -10.692 0.524 1.00 0.00 N ATOM 0 H HIS A 48 0.042 -7.517 -2.708 1.00 0.00 H new ATOM 0 HA HIS A 48 2.036 -7.463 -1.817 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.381 -10.122 -3.197 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.676 -9.398 -2.263 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.174 -9.796 -1.271 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.239 -11.383 1.822 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.129 -10.910 1.075 1.00 0.00 H new ATOM 770 N GLU A 49 2.461 -6.414 -4.500 1.00 0.00 N ATOM 771 CA GLU A 49 3.224 -5.569 -5.390 1.00 0.00 C ATOM 772 C GLU A 49 3.871 -4.474 -4.574 1.00 0.00 C ATOM 773 O GLU A 49 3.470 -4.208 -3.441 1.00 0.00 O ATOM 774 CB GLU A 49 2.299 -4.919 -6.416 1.00 0.00 C ATOM 775 CG GLU A 49 1.577 -5.884 -7.328 1.00 0.00 C ATOM 776 CD GLU A 49 0.490 -5.196 -8.123 1.00 0.00 C ATOM 777 OE1 GLU A 49 -0.582 -4.942 -7.539 1.00 0.00 O ATOM 778 OE2 GLU A 49 0.691 -4.919 -9.324 1.00 0.00 O ATOM 0 H GLU A 49 1.452 -6.279 -4.567 1.00 0.00 H new ATOM 0 HA GLU A 49 3.974 -6.170 -5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.558 -4.320 -5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.885 -4.234 -7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.292 -6.343 -8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.141 -6.688 -6.735 1.00 0.00 H new ATOM 785 N THR A 50 4.852 -3.852 -5.108 1.00 0.00 N ATOM 786 CA THR A 50 5.469 -2.764 -4.433 1.00 0.00 C ATOM 787 C THR A 50 5.693 -1.657 -5.428 1.00 0.00 C ATOM 788 O THR A 50 6.114 -1.899 -6.557 1.00 0.00 O ATOM 789 CB THR A 50 6.798 -3.161 -3.800 1.00 0.00 C ATOM 790 OG1 THR A 50 6.661 -4.449 -3.180 1.00 0.00 O ATOM 791 CG2 THR A 50 7.191 -2.150 -2.731 1.00 0.00 C ATOM 0 H THR A 50 5.252 -4.076 -6.019 1.00 0.00 H new ATOM 0 HA THR A 50 4.812 -2.439 -3.626 1.00 0.00 H new ATOM 0 HB THR A 50 7.563 -3.190 -4.576 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.514 -4.709 -2.773 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.142 -2.443 -2.285 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.291 -1.163 -3.183 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.422 -2.119 -1.959 1.00 0.00 H new ATOM 799 N ALA A 51 5.390 -0.486 -5.019 1.00 0.00 N ATOM 800 CA ALA A 51 5.482 0.676 -5.857 1.00 0.00 C ATOM 801 C ALA A 51 6.104 1.828 -5.120 1.00 0.00 C ATOM 802 O ALA A 51 6.445 1.715 -3.948 1.00 0.00 O ATOM 803 CB ALA A 51 4.105 1.081 -6.290 1.00 0.00 C ATOM 0 H ALA A 51 5.062 -0.289 -4.073 1.00 0.00 H new ATOM 0 HA ALA A 51 6.104 0.427 -6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.169 1.963 -6.927 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.644 0.265 -6.846 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.500 1.310 -5.413 1.00 0.00 H new ATOM 809 N PHE A 52 6.248 2.928 -5.818 1.00 0.00 N ATOM 810 CA PHE A 52 6.727 4.161 -5.256 1.00 0.00 C ATOM 811 C PHE A 52 5.832 5.280 -5.714 1.00 0.00 C ATOM 812 O PHE A 52 5.829 5.666 -6.916 1.00 0.00 O ATOM 813 CB PHE A 52 8.171 4.446 -5.661 1.00 0.00 C ATOM 814 CG PHE A 52 9.175 3.491 -5.052 1.00 0.00 C ATOM 815 CD1 PHE A 52 9.737 3.766 -3.813 1.00 0.00 C ATOM 816 CD2 PHE A 52 9.537 2.318 -5.698 1.00 0.00 C ATOM 817 CE1 PHE A 52 10.641 2.895 -3.234 1.00 0.00 C ATOM 818 CE2 PHE A 52 10.437 1.442 -5.120 1.00 0.00 C ATOM 819 CZ PHE A 52 10.990 1.731 -3.887 1.00 0.00 C ATOM 0 H PHE A 52 6.030 2.989 -6.813 1.00 0.00 H new ATOM 0 HA PHE A 52 6.707 4.079 -4.169 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.250 4.398 -6.747 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.427 5.464 -5.367 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.464 4.673 -3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.111 2.087 -6.663 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.073 3.126 -2.272 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.708 0.531 -5.633 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.694 1.047 -3.436 1.00 0.00 H new ATOM 829 N LEU A 53 5.078 5.799 -4.805 1.00 0.00 N ATOM 830 CA LEU A 53 4.146 6.857 -5.090 1.00 0.00 C ATOM 831 C LEU A 53 4.431 7.995 -4.157 1.00 0.00 C ATOM 832 O LEU A 53 5.116 7.808 -3.147 1.00 0.00 O ATOM 833 CB LEU A 53 2.707 6.370 -4.912 1.00 0.00 C ATOM 834 CG LEU A 53 2.276 5.192 -5.799 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.951 4.671 -5.337 1.00 0.00 C ATOM 836 CD2 LEU A 53 2.188 5.603 -7.266 1.00 0.00 C ATOM 0 H LEU A 53 5.085 5.503 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 53 4.259 7.182 -6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.569 6.083 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.036 7.207 -5.104 1.00 0.00 H new ATOM 0 HG LEU A 53 3.030 4.409 -5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.648 3.836 -5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.033 4.334 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.206 5.464 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.881 4.746 -7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.457 6.404 -7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.163 5.952 -7.605 1.00 0.00 H new ATOM 848 N GLY A 54 3.950 9.159 -4.489 1.00 0.00 N ATOM 849 CA GLY A 54 4.190 10.288 -3.658 1.00 0.00 C ATOM 850 C GLY A 54 3.109 10.414 -2.627 1.00 0.00 C ATOM 851 O GLY A 54 2.074 9.754 -2.748 1.00 0.00 O ATOM 0 H GLY A 54 3.394 9.344 -5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.159 10.189 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.231 11.193 -4.265 1.00 0.00 H new ATOM 855 N PRO A 55 3.280 11.289 -1.630 1.00 0.00 N ATOM 856 CA PRO A 55 2.286 11.490 -0.552 1.00 0.00 C ATOM 857 C PRO A 55 0.973 12.085 -1.077 1.00 0.00 C ATOM 858 O PRO A 55 0.008 12.231 -0.359 1.00 0.00 O ATOM 859 CB PRO A 55 2.984 12.466 0.407 1.00 0.00 C ATOM 860 CG PRO A 55 4.022 13.148 -0.419 1.00 0.00 C ATOM 861 CD PRO A 55 4.465 12.148 -1.449 1.00 0.00 C ATOM 0 HA PRO A 55 2.000 10.550 -0.079 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.277 13.184 0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.434 11.938 1.248 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.616 14.041 -0.894 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.861 13.468 0.198 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.754 12.634 -2.381 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.327 11.575 -1.107 1.00 0.00 H new ATOM 869 N LYS A 56 0.983 12.440 -2.332 1.00 0.00 N ATOM 870 CA LYS A 56 -0.171 12.997 -2.995 1.00 0.00 C ATOM 871 C LYS A 56 -0.938 11.935 -3.788 1.00 0.00 C ATOM 872 O LYS A 56 -1.893 12.252 -4.504 1.00 0.00 O ATOM 873 CB LYS A 56 0.259 14.066 -3.968 1.00 0.00 C ATOM 874 CG LYS A 56 1.289 13.558 -4.980 1.00 0.00 C ATOM 875 CD LYS A 56 1.359 14.403 -6.247 1.00 0.00 C ATOM 876 CE LYS A 56 0.034 14.376 -7.029 1.00 0.00 C ATOM 877 NZ LYS A 56 -0.507 12.995 -7.186 1.00 0.00 N ATOM 0 H LYS A 56 1.802 12.351 -2.934 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.816 13.407 -2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.615 14.440 -4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.680 14.906 -3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.272 13.540 -4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.046 12.530 -5.250 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.604 15.432 -5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.164 14.036 -6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.701 14.995 -6.514 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.188 14.817 -8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.208 12.982 -7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.269 12.342 -7.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.960 12.697 -6.299 1.00 0.00 H new ATOM 891 N ASP A 57 -0.435 10.744 -3.784 1.00 0.00 N ATOM 892 CA ASP A 57 -1.068 9.646 -4.524 1.00 0.00 C ATOM 893 C ASP A 57 -1.554 8.558 -3.615 1.00 0.00 C ATOM 894 O ASP A 57 -2.012 7.488 -4.074 1.00 0.00 O ATOM 895 CB ASP A 57 -0.151 9.090 -5.617 1.00 0.00 C ATOM 896 CG ASP A 57 -0.013 10.048 -6.774 1.00 0.00 C ATOM 897 OD1 ASP A 57 -0.934 10.097 -7.633 1.00 0.00 O ATOM 898 OD2 ASP A 57 0.972 10.813 -6.827 1.00 0.00 O ATOM 0 H ASP A 57 0.414 10.483 -3.282 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.944 10.069 -5.016 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.833 8.885 -5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.548 8.141 -5.977 1.00 0.00 H new ATOM 903 N ILE A 58 -1.454 8.826 -2.344 1.00 0.00 N ATOM 904 CA ILE A 58 -1.866 7.933 -1.301 1.00 0.00 C ATOM 905 C ILE A 58 -2.736 8.676 -0.311 1.00 0.00 C ATOM 906 O ILE A 58 -2.613 9.889 -0.156 1.00 0.00 O ATOM 907 CB ILE A 58 -0.649 7.350 -0.568 1.00 0.00 C ATOM 908 CG1 ILE A 58 0.264 8.470 -0.090 1.00 0.00 C ATOM 909 CG2 ILE A 58 0.099 6.397 -1.456 1.00 0.00 C ATOM 910 CD1 ILE A 58 1.535 7.996 0.535 1.00 0.00 C ATOM 0 H ILE A 58 -1.070 9.704 -1.994 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.428 7.115 -1.751 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.001 6.795 0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.506 9.113 -0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.277 9.082 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.957 5.995 -0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.560 5.580 -1.750 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.443 6.923 -2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.129 8.855 0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.305 7.378 1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.100 7.409 -0.189 1.00 0.00 H new ATOM 922 N PHE A 59 -3.610 7.959 0.337 1.00 0.00 N ATOM 923 CA PHE A 59 -4.532 8.532 1.301 1.00 0.00 C ATOM 924 C PHE A 59 -4.642 7.591 2.493 1.00 0.00 C ATOM 925 O PHE A 59 -4.533 6.391 2.313 1.00 0.00 O ATOM 926 CB PHE A 59 -5.921 8.742 0.670 1.00 0.00 C ATOM 927 CG PHE A 59 -5.934 9.650 -0.533 1.00 0.00 C ATOM 928 CD1 PHE A 59 -5.973 11.027 -0.381 1.00 0.00 C ATOM 929 CD2 PHE A 59 -5.893 9.124 -1.812 1.00 0.00 C ATOM 930 CE1 PHE A 59 -5.972 11.857 -1.484 1.00 0.00 C ATOM 931 CE2 PHE A 59 -5.890 9.947 -2.915 1.00 0.00 C ATOM 932 CZ PHE A 59 -5.930 11.317 -2.754 1.00 0.00 C ATOM 0 H PHE A 59 -3.711 6.951 0.216 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.156 9.503 1.623 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.324 7.772 0.380 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.590 9.153 1.426 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.004 11.455 0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.863 8.053 -1.947 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.004 12.929 -1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.856 9.521 -3.907 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.928 11.964 -3.618 1.00 0.00 H new ATOM 942 N PRO A 60 -4.850 8.115 3.719 1.00 0.00 N ATOM 943 CA PRO A 60 -4.908 7.296 4.952 1.00 0.00 C ATOM 944 C PRO A 60 -6.024 6.266 4.926 1.00 0.00 C ATOM 945 O PRO A 60 -7.184 6.583 4.626 1.00 0.00 O ATOM 946 CB PRO A 60 -5.131 8.320 6.064 1.00 0.00 C ATOM 947 CG PRO A 60 -5.681 9.522 5.383 1.00 0.00 C ATOM 948 CD PRO A 60 -5.077 9.540 4.007 1.00 0.00 C ATOM 0 HA PRO A 60 -4.000 6.708 5.083 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.824 7.941 6.815 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.199 8.551 6.579 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.769 9.475 5.330 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.427 10.430 5.931 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.748 9.996 3.279 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -4.147 10.108 3.983 1.00 0.00 H new ATOM 956 N TYR A 61 -5.657 5.039 5.235 1.00 0.00 N ATOM 957 CA TYR A 61 -6.553 3.895 5.221 1.00 0.00 C ATOM 958 C TYR A 61 -7.749 4.043 6.140 1.00 0.00 C ATOM 959 O TYR A 61 -8.832 3.588 5.807 1.00 0.00 O ATOM 960 CB TYR A 61 -5.756 2.613 5.500 1.00 0.00 C ATOM 961 CG TYR A 61 -6.495 1.478 6.163 1.00 0.00 C ATOM 962 CD1 TYR A 61 -7.471 0.747 5.503 1.00 0.00 C ATOM 963 CD2 TYR A 61 -6.195 1.142 7.471 1.00 0.00 C ATOM 964 CE1 TYR A 61 -8.121 -0.281 6.136 1.00 0.00 C ATOM 965 CE2 TYR A 61 -6.834 0.117 8.105 1.00 0.00 C ATOM 966 CZ TYR A 61 -7.791 -0.589 7.445 1.00 0.00 C ATOM 967 OH TYR A 61 -8.416 -1.610 8.087 1.00 0.00 O ATOM 0 H TYR A 61 -4.704 4.801 5.510 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.987 3.833 4.223 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.356 2.250 4.553 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.903 2.874 6.127 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.722 0.990 4.481 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.439 1.703 8.001 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.883 -0.845 5.619 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.581 -0.132 9.125 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.367 -2.420 7.538 1.00 0.00 H new ATOM 977 N SER A 62 -7.556 4.695 7.249 1.00 0.00 N ATOM 978 CA SER A 62 -8.614 4.864 8.237 1.00 0.00 C ATOM 979 C SER A 62 -9.820 5.627 7.641 1.00 0.00 C ATOM 980 O SER A 62 -10.930 5.081 7.531 1.00 0.00 O ATOM 981 CB SER A 62 -8.020 5.592 9.468 1.00 0.00 C ATOM 982 OG SER A 62 -8.996 5.946 10.422 1.00 0.00 O ATOM 0 H SER A 62 -6.669 5.128 7.506 1.00 0.00 H new ATOM 0 HA SER A 62 -8.993 3.890 8.546 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.276 4.950 9.939 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.501 6.491 9.136 1.00 0.00 H new ATOM 0 HG SER A 62 -9.121 6.918 10.417 1.00 0.00 H new ATOM 988 N GLU A 63 -9.565 6.819 7.158 1.00 0.00 N ATOM 989 CA GLU A 63 -10.605 7.701 6.652 1.00 0.00 C ATOM 990 C GLU A 63 -11.080 7.252 5.294 1.00 0.00 C ATOM 991 O GLU A 63 -12.223 7.484 4.890 1.00 0.00 O ATOM 992 CB GLU A 63 -10.069 9.132 6.546 1.00 0.00 C ATOM 993 CG GLU A 63 -9.658 9.774 7.872 1.00 0.00 C ATOM 994 CD GLU A 63 -8.560 9.018 8.595 1.00 0.00 C ATOM 995 OE1 GLU A 63 -7.567 8.646 7.931 1.00 0.00 O ATOM 996 OE2 GLU A 63 -8.739 8.677 9.776 1.00 0.00 O ATOM 0 H GLU A 63 -8.626 7.213 7.102 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.443 7.668 7.348 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.207 9.131 5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.832 9.755 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.323 10.794 7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.531 9.840 8.521 1.00 0.00 H new ATOM 1003 N ASN A 64 -10.210 6.602 4.592 1.00 0.00 N ATOM 1004 CA ASN A 64 -10.503 6.191 3.249 1.00 0.00 C ATOM 1005 C ASN A 64 -11.012 4.770 3.151 1.00 0.00 C ATOM 1006 O ASN A 64 -11.250 4.283 2.054 1.00 0.00 O ATOM 1007 CB ASN A 64 -9.320 6.434 2.322 1.00 0.00 C ATOM 1008 CG ASN A 64 -9.065 7.912 2.086 1.00 0.00 C ATOM 1009 OD1 ASN A 64 -9.578 8.501 1.145 1.00 0.00 O ATOM 1010 ND2 ASN A 64 -8.294 8.522 2.945 1.00 0.00 N ATOM 0 H ASN A 64 -9.282 6.340 4.925 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.327 6.821 2.914 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.427 5.978 2.749 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.503 5.942 1.367 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.104 9.519 2.842 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.881 8.002 3.719 1.00 0.00 H new ATOM 1017 N LYS A 65 -11.226 4.118 4.284 1.00 0.00 N ATOM 1018 CA LYS A 65 -11.768 2.758 4.296 1.00 0.00 C ATOM 1019 C LYS A 65 -13.174 2.715 3.695 1.00 0.00 C ATOM 1020 O LYS A 65 -13.511 1.813 2.963 1.00 0.00 O ATOM 1021 CB LYS A 65 -11.733 2.157 5.713 1.00 0.00 C ATOM 1022 CG LYS A 65 -12.582 0.898 5.913 1.00 0.00 C ATOM 1023 CD LYS A 65 -12.438 0.342 7.325 1.00 0.00 C ATOM 1024 CE LYS A 65 -11.202 -0.504 7.491 1.00 0.00 C ATOM 1025 NZ LYS A 65 -11.255 -1.757 6.697 1.00 0.00 N ATOM 0 H LYS A 65 -11.034 4.504 5.209 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.130 2.139 3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.699 1.921 5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.067 2.916 6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.629 1.130 5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.284 0.139 5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.407 1.168 8.035 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.317 -0.254 7.568 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.328 0.074 7.192 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.075 -0.752 8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.297 -2.009 6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.638 -2.525 7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.867 -1.617 5.868 1.00 0.00 H new ATOM 1039 N GLU A 66 -13.968 3.704 3.978 1.00 0.00 N ATOM 1040 CA GLU A 66 -15.310 3.759 3.406 1.00 0.00 C ATOM 1041 C GLU A 66 -15.307 4.286 2.014 1.00 0.00 C ATOM 1042 O GLU A 66 -16.264 4.149 1.268 1.00 0.00 O ATOM 1043 CB GLU A 66 -16.210 4.567 4.262 1.00 0.00 C ATOM 1044 CG GLU A 66 -16.453 3.895 5.550 1.00 0.00 C ATOM 1045 CD GLU A 66 -17.038 2.500 5.330 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -18.239 2.382 5.004 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -16.278 1.488 5.362 1.00 0.00 O ATOM 0 H GLU A 66 -13.728 4.482 4.592 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.683 2.736 3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.768 5.548 4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.157 4.731 3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.520 3.819 6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.138 4.491 6.153 1.00 0.00 H new ATOM 1054 N LYS A 67 -14.245 4.897 1.686 1.00 0.00 N ATOM 1055 CA LYS A 67 -14.093 5.487 0.401 1.00 0.00 C ATOM 1056 C LYS A 67 -13.604 4.489 -0.617 1.00 0.00 C ATOM 1057 O LYS A 67 -14.230 4.285 -1.643 1.00 0.00 O ATOM 1058 CB LYS A 67 -13.130 6.649 0.477 1.00 0.00 C ATOM 1059 CG LYS A 67 -13.510 7.663 1.523 1.00 0.00 C ATOM 1060 CD LYS A 67 -12.644 8.930 1.449 1.00 0.00 C ATOM 1061 CE LYS A 67 -12.542 9.510 0.033 1.00 0.00 C ATOM 1062 NZ LYS A 67 -13.864 9.823 -0.563 1.00 0.00 N ATOM 0 H LYS A 67 -13.439 5.010 2.301 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.073 5.840 0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.130 6.271 0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.083 7.139 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.558 7.934 1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.412 7.216 2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.060 9.686 2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.643 8.700 1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.938 10.417 0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.020 8.799 -0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.729 10.274 -1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.408 8.945 -0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.383 10.470 0.064 1.00 0.00 H new ATOM 1076 N TYR A 68 -12.481 3.885 -0.334 1.00 0.00 N ATOM 1077 CA TYR A 68 -11.846 3.001 -1.294 1.00 0.00 C ATOM 1078 C TYR A 68 -11.590 1.636 -0.691 1.00 0.00 C ATOM 1079 O TYR A 68 -11.003 0.777 -1.317 1.00 0.00 O ATOM 1080 CB TYR A 68 -10.524 3.617 -1.760 1.00 0.00 C ATOM 1081 CG TYR A 68 -10.646 5.069 -2.173 1.00 0.00 C ATOM 1082 CD1 TYR A 68 -11.343 5.436 -3.312 1.00 0.00 C ATOM 1083 CD2 TYR A 68 -10.066 6.068 -1.410 1.00 0.00 C ATOM 1084 CE1 TYR A 68 -11.459 6.766 -3.676 1.00 0.00 C ATOM 1085 CE2 TYR A 68 -10.173 7.390 -1.762 1.00 0.00 C ATOM 1086 CZ TYR A 68 -10.870 7.738 -2.892 1.00 0.00 C ATOM 1087 OH TYR A 68 -10.981 9.059 -3.241 1.00 0.00 O ATOM 0 H TYR A 68 -11.982 3.984 0.550 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.516 2.877 -2.145 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.792 3.536 -0.957 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.140 3.039 -2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.802 4.674 -3.924 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.518 5.801 -0.519 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.006 7.041 -4.566 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -9.711 8.153 -1.153 1.00 0.00 H new ATOM 0 HH TYR A 68 -10.511 9.612 -2.583 1.00 0.00 H new ATOM 1097 N GLY A 69 -12.058 1.436 0.510 1.00 0.00 N ATOM 1098 CA GLY A 69 -11.842 0.183 1.193 1.00 0.00 C ATOM 1099 C GLY A 69 -13.049 -0.701 1.106 1.00 0.00 C ATOM 1100 O GLY A 69 -13.283 -1.545 1.974 1.00 0.00 O ATOM 0 H GLY A 69 -12.593 2.124 1.040 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.983 -0.327 0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.603 0.373 2.239 1.00 0.00 H new ATOM 1104 N LYS A 70 -13.837 -0.497 0.084 1.00 0.00 N ATOM 1105 CA LYS A 70 -15.032 -1.275 -0.089 1.00 0.00 C ATOM 1106 C LYS A 70 -14.722 -2.413 -1.054 1.00 0.00 C ATOM 1107 O LYS A 70 -13.805 -2.290 -1.868 1.00 0.00 O ATOM 1108 CB LYS A 70 -16.197 -0.423 -0.635 1.00 0.00 C ATOM 1109 CG LYS A 70 -16.416 0.932 0.049 1.00 0.00 C ATOM 1110 CD LYS A 70 -16.532 0.881 1.585 1.00 0.00 C ATOM 1111 CE LYS A 70 -17.734 0.103 2.097 1.00 0.00 C ATOM 1112 NZ LYS A 70 -17.868 0.217 3.578 1.00 0.00 N ATOM 0 H LYS A 70 -13.672 0.202 -0.641 1.00 0.00 H new ATOM 0 HA LYS A 70 -15.346 -1.663 0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.027 -0.248 -1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.116 -1.003 -0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.590 1.592 -0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.324 1.381 -0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.625 0.434 1.991 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.584 1.900 1.968 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.640 0.475 1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.635 -0.946 1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.340 -0.632 3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.924 0.304 4.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -18.433 1.058 3.812 1.00 0.00 H new ATOM 1126 N PRO A 71 -15.444 -3.542 -0.967 1.00 0.00 N ATOM 1127 CA PRO A 71 -15.205 -4.680 -1.844 1.00 0.00 C ATOM 1128 C PRO A 71 -15.349 -4.332 -3.326 1.00 0.00 C ATOM 1129 O PRO A 71 -16.380 -3.790 -3.784 1.00 0.00 O ATOM 1130 CB PRO A 71 -16.261 -5.704 -1.463 1.00 0.00 C ATOM 1131 CG PRO A 71 -16.864 -5.242 -0.176 1.00 0.00 C ATOM 1132 CD PRO A 71 -16.517 -3.788 -0.002 1.00 0.00 C ATOM 0 HA PRO A 71 -14.183 -5.039 -1.719 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -17.021 -5.783 -2.240 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.817 -6.693 -1.349 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.945 -5.378 -0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.480 -5.829 0.658 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.379 -3.150 -0.197 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.189 -3.579 1.016 1.00 0.00 H new ATOM 1140 N ASN A 72 -14.345 -4.678 -4.069 1.00 0.00 N ATOM 1141 CA ASN A 72 -14.327 -4.424 -5.483 1.00 0.00 C ATOM 1142 C ASN A 72 -14.333 -5.665 -6.271 1.00 0.00 C ATOM 1143 O ASN A 72 -14.277 -6.765 -5.733 1.00 0.00 O ATOM 1144 CB ASN A 72 -13.163 -3.545 -5.933 1.00 0.00 C ATOM 1145 CG ASN A 72 -13.491 -2.094 -5.854 1.00 0.00 C ATOM 1146 OD1 ASN A 72 -14.029 -1.524 -6.797 1.00 0.00 O ATOM 1147 ND2 ASN A 72 -13.172 -1.505 -4.771 1.00 0.00 N ATOM 0 H ASN A 72 -13.511 -5.146 -3.715 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.249 -3.874 -5.672 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.291 -3.753 -5.312 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.893 -3.799 -6.958 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.363 -0.510 -4.657 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.726 -2.029 -4.018 1.00 0.00 H new ATOM 1154 N LYS A 73 -14.366 -5.471 -7.558 1.00 0.00 N ATOM 1155 CA LYS A 73 -14.412 -6.530 -8.521 1.00 0.00 C ATOM 1156 C LYS A 73 -12.995 -6.808 -8.996 1.00 0.00 C ATOM 1157 O LYS A 73 -12.760 -7.565 -9.920 1.00 0.00 O ATOM 1158 CB LYS A 73 -15.350 -6.145 -9.703 1.00 0.00 C ATOM 1159 CG LYS A 73 -16.837 -5.900 -9.314 1.00 0.00 C ATOM 1160 CD LYS A 73 -17.041 -4.628 -8.467 1.00 0.00 C ATOM 1161 CE LYS A 73 -18.470 -4.481 -7.962 1.00 0.00 C ATOM 1162 NZ LYS A 73 -18.610 -3.313 -7.036 1.00 0.00 N ATOM 0 H LYS A 73 -14.361 -4.541 -7.978 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.820 -7.435 -8.071 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.961 -5.243 -10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -15.312 -6.938 -10.450 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -17.436 -5.824 -10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -17.207 -6.762 -8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.360 -4.650 -7.616 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.779 -3.754 -9.063 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -19.145 -4.357 -8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -18.770 -5.393 -7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.596 -3.243 -6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.984 -3.443 -6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.348 -2.440 -7.536 1.00 0.00 H new ATOM 1176 N ARG A 74 -12.050 -6.160 -8.337 1.00 0.00 N ATOM 1177 CA ARG A 74 -10.656 -6.394 -8.599 1.00 0.00 C ATOM 1178 C ARG A 74 -10.198 -7.529 -7.722 1.00 0.00 C ATOM 1179 O ARG A 74 -10.358 -7.470 -6.494 1.00 0.00 O ATOM 1180 CB ARG A 74 -9.825 -5.140 -8.291 1.00 0.00 C ATOM 1181 CG ARG A 74 -9.890 -4.030 -9.330 1.00 0.00 C ATOM 1182 CD ARG A 74 -9.114 -4.404 -10.594 1.00 0.00 C ATOM 1183 NE ARG A 74 -9.063 -3.288 -11.559 1.00 0.00 N ATOM 1184 CZ ARG A 74 -7.929 -2.724 -12.055 1.00 0.00 C ATOM 1185 NH1 ARG A 74 -6.716 -3.186 -11.699 1.00 0.00 N ATOM 1186 NH2 ARG A 74 -8.013 -1.710 -12.912 1.00 0.00 N ATOM 0 H ARG A 74 -12.233 -5.465 -7.613 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.520 -6.640 -9.652 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.154 -4.735 -7.334 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.784 -5.438 -8.170 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.930 -3.829 -9.586 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.482 -3.111 -8.909 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.099 -4.697 -10.324 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.581 -5.269 -11.064 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.953 -2.908 -11.881 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.639 -3.969 -11.049 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.874 -2.753 -12.079 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.927 -1.357 -13.196 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.164 -1.286 -13.285 1.00 0.00 H new ATOM 1200 N LYS A 75 -9.676 -8.569 -8.311 1.00 0.00 N ATOM 1201 CA LYS A 75 -9.174 -9.645 -7.511 1.00 0.00 C ATOM 1202 C LYS A 75 -7.833 -9.206 -6.956 1.00 0.00 C ATOM 1203 O LYS A 75 -7.108 -8.458 -7.610 1.00 0.00 O ATOM 1204 CB LYS A 75 -9.045 -10.950 -8.292 1.00 0.00 C ATOM 1205 CG LYS A 75 -9.381 -12.157 -7.431 1.00 0.00 C ATOM 1206 CD LYS A 75 -10.894 -12.248 -7.210 1.00 0.00 C ATOM 1207 CE LYS A 75 -11.257 -13.128 -6.026 1.00 0.00 C ATOM 1208 NZ LYS A 75 -10.978 -12.446 -4.748 1.00 0.00 N ATOM 0 H LYS A 75 -9.589 -8.692 -9.320 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.879 -9.857 -6.707 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.709 -10.924 -9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.028 -11.047 -8.673 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.022 -13.067 -7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.870 -12.081 -6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.296 -11.247 -7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.366 -12.642 -8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.313 -13.393 -6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.692 -14.059 -6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.007 -13.138 -3.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.036 -12.008 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.695 -11.711 -4.583 1.00 0.00 H new ATOM 1222 N GLY A 76 -7.541 -9.609 -5.750 1.00 0.00 N ATOM 1223 CA GLY A 76 -6.362 -9.155 -5.065 1.00 0.00 C ATOM 1224 C GLY A 76 -6.715 -7.980 -4.184 1.00 0.00 C ATOM 1225 O GLY A 76 -6.112 -7.756 -3.159 1.00 0.00 O ATOM 0 H GLY A 76 -8.114 -10.261 -5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.944 -9.962 -4.463 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.597 -8.866 -5.786 1.00 0.00 H new ATOM 1229 N PHE A 77 -7.759 -7.268 -4.571 1.00 0.00 N ATOM 1230 CA PHE A 77 -8.247 -6.138 -3.816 1.00 0.00 C ATOM 1231 C PHE A 77 -9.012 -6.673 -2.622 1.00 0.00 C ATOM 1232 O PHE A 77 -8.890 -6.177 -1.514 1.00 0.00 O ATOM 1233 CB PHE A 77 -9.160 -5.287 -4.709 1.00 0.00 C ATOM 1234 CG PHE A 77 -9.534 -3.944 -4.159 1.00 0.00 C ATOM 1235 CD1 PHE A 77 -10.522 -3.812 -3.204 1.00 0.00 C ATOM 1236 CD2 PHE A 77 -8.895 -2.811 -4.614 1.00 0.00 C ATOM 1237 CE1 PHE A 77 -10.858 -2.575 -2.711 1.00 0.00 C ATOM 1238 CE2 PHE A 77 -9.230 -1.570 -4.127 1.00 0.00 C ATOM 1239 CZ PHE A 77 -10.212 -1.454 -3.175 1.00 0.00 C ATOM 0 H PHE A 77 -8.290 -7.461 -5.420 1.00 0.00 H new ATOM 0 HA PHE A 77 -7.424 -5.510 -3.474 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -8.666 -5.142 -5.670 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.074 -5.848 -4.903 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -11.036 -4.690 -2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.121 -2.899 -5.362 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -11.629 -2.483 -1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.722 -0.689 -4.492 1.00 0.00 H new ATOM 0 HZ PHE A 77 -10.477 -0.481 -2.790 1.00 0.00 H new ATOM 1249 N ASN A 78 -9.793 -7.722 -2.879 1.00 0.00 N ATOM 1250 CA ASN A 78 -10.580 -8.412 -1.844 1.00 0.00 C ATOM 1251 C ASN A 78 -9.620 -8.970 -0.823 1.00 0.00 C ATOM 1252 O ASN A 78 -9.760 -8.764 0.381 1.00 0.00 O ATOM 1253 CB ASN A 78 -11.357 -9.599 -2.447 1.00 0.00 C ATOM 1254 CG ASN A 78 -12.253 -9.262 -3.627 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -12.410 -10.081 -4.532 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -12.862 -8.100 -3.622 1.00 0.00 N ATOM 0 H ASN A 78 -9.901 -8.122 -3.811 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.283 -7.705 -1.404 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.640 -10.357 -2.762 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.970 -10.045 -1.664 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.490 -7.850 -4.386 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.707 -7.446 -2.854 1.00 0.00 H new ATOM 1263 N GLU A 79 -8.626 -9.647 -1.348 1.00 0.00 N ATOM 1264 CA GLU A 79 -7.571 -10.266 -0.590 1.00 0.00 C ATOM 1265 C GLU A 79 -6.798 -9.214 0.201 1.00 0.00 C ATOM 1266 O GLU A 79 -6.469 -9.413 1.365 1.00 0.00 O ATOM 1267 CB GLU A 79 -6.634 -11.020 -1.548 1.00 0.00 C ATOM 1268 CG GLU A 79 -7.226 -12.290 -2.198 1.00 0.00 C ATOM 1269 CD GLU A 79 -8.539 -12.088 -2.955 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -8.596 -11.310 -3.958 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -9.553 -12.666 -2.563 1.00 0.00 O ATOM 0 H GLU A 79 -8.529 -9.785 -2.354 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.001 -10.973 0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.328 -10.337 -2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.733 -11.299 -1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.489 -12.702 -2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.386 -13.035 -1.419 1.00 0.00 H new ATOM 1278 N GLY A 80 -6.556 -8.077 -0.433 1.00 0.00 N ATOM 1279 CA GLY A 80 -5.847 -6.994 0.199 1.00 0.00 C ATOM 1280 C GLY A 80 -6.620 -6.370 1.323 1.00 0.00 C ATOM 1281 O GLY A 80 -6.034 -5.963 2.316 1.00 0.00 O ATOM 0 H GLY A 80 -6.846 -7.887 -1.392 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.895 -7.363 0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.619 -6.232 -0.546 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.939 -6.291 1.170 1.00 0.00 N ATOM 1286 CA LEU A 81 -8.804 -5.795 2.237 1.00 0.00 C ATOM 1287 C LEU A 81 -8.685 -6.704 3.442 1.00 0.00 C ATOM 1288 O LEU A 81 -8.658 -6.250 4.572 1.00 0.00 O ATOM 1289 CB LEU A 81 -10.269 -5.713 1.787 1.00 0.00 C ATOM 1290 CG LEU A 81 -10.591 -4.710 0.677 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -12.060 -4.795 0.299 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -10.242 -3.293 1.114 1.00 0.00 C ATOM 0 H LEU A 81 -8.432 -6.563 0.319 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.481 -4.787 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.578 -6.703 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.879 -5.466 2.656 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.988 -4.960 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.274 -4.076 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.287 -5.801 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.674 -4.569 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.479 -2.596 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.819 -3.033 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.178 -3.235 1.343 1.00 0.00 H new ATOM 1304 N TRP A 82 -8.559 -7.993 3.177 1.00 0.00 N ATOM 1305 CA TRP A 82 -8.387 -8.956 4.216 1.00 0.00 C ATOM 1306 C TRP A 82 -7.023 -8.759 4.871 1.00 0.00 C ATOM 1307 O TRP A 82 -6.922 -8.686 6.088 1.00 0.00 O ATOM 1308 CB TRP A 82 -8.540 -10.380 3.660 1.00 0.00 C ATOM 1309 CG TRP A 82 -8.282 -11.442 4.674 1.00 0.00 C ATOM 1310 CD1 TRP A 82 -9.156 -11.924 5.586 1.00 0.00 C ATOM 1311 CD2 TRP A 82 -7.059 -12.145 4.875 1.00 0.00 C ATOM 1312 NE1 TRP A 82 -8.548 -12.883 6.362 1.00 0.00 N ATOM 1313 CE2 TRP A 82 -7.256 -13.035 5.940 1.00 0.00 C ATOM 1314 CE3 TRP A 82 -5.818 -12.094 4.255 1.00 0.00 C ATOM 1315 CZ2 TRP A 82 -6.249 -13.877 6.401 1.00 0.00 C ATOM 1316 CZ3 TRP A 82 -4.813 -12.926 4.707 1.00 0.00 C ATOM 1317 CH2 TRP A 82 -5.035 -13.807 5.773 1.00 0.00 C ATOM 0 H TRP A 82 -8.575 -8.386 2.236 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.159 -8.815 4.973 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -9.549 -10.502 3.266 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -7.853 -10.512 2.824 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -10.182 -11.603 5.690 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -8.988 -13.396 7.126 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.642 -11.415 3.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -6.418 -14.559 7.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -3.843 -12.897 4.232 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -4.230 -14.445 6.107 1.00 0.00 H new ATOM 1328 N GLU A 83 -5.990 -8.646 4.057 1.00 0.00 N ATOM 1329 CA GLU A 83 -4.640 -8.449 4.557 1.00 0.00 C ATOM 1330 C GLU A 83 -4.496 -7.191 5.397 1.00 0.00 C ATOM 1331 O GLU A 83 -3.981 -7.254 6.486 1.00 0.00 O ATOM 1332 CB GLU A 83 -3.573 -8.486 3.450 1.00 0.00 C ATOM 1333 CG GLU A 83 -3.329 -9.864 2.864 1.00 0.00 C ATOM 1334 CD GLU A 83 -2.060 -9.938 2.022 1.00 0.00 C ATOM 1335 OE1 GLU A 83 -1.946 -9.228 1.012 1.00 0.00 O ATOM 1336 OE2 GLU A 83 -1.138 -10.698 2.375 1.00 0.00 O ATOM 0 H GLU A 83 -6.060 -8.687 3.040 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.460 -9.303 5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.874 -7.811 2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.635 -8.104 3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.264 -10.591 3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.183 -10.148 2.249 1.00 0.00 H new ATOM 1343 N ILE A 84 -5.016 -6.080 4.932 1.00 0.00 N ATOM 1344 CA ILE A 84 -4.817 -4.816 5.633 1.00 0.00 C ATOM 1345 C ILE A 84 -5.626 -4.746 6.954 1.00 0.00 C ATOM 1346 O ILE A 84 -5.206 -4.101 7.914 1.00 0.00 O ATOM 1347 CB ILE A 84 -5.092 -3.586 4.701 1.00 0.00 C ATOM 1348 CG1 ILE A 84 -4.587 -2.283 5.339 1.00 0.00 C ATOM 1349 CG2 ILE A 84 -6.577 -3.471 4.355 1.00 0.00 C ATOM 1350 CD1 ILE A 84 -4.614 -1.086 4.403 1.00 0.00 C ATOM 0 H ILE A 84 -5.575 -6.016 4.081 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.765 -4.770 5.915 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.540 -3.750 3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.196 -2.060 6.215 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.566 -2.434 5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.734 -2.608 3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.902 -4.375 3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.155 -3.348 5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.243 -0.206 4.927 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.982 -1.286 3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.637 -0.906 4.071 1.00 0.00 H new ATOM 1362 N ASP A 85 -6.740 -5.462 7.003 1.00 0.00 N ATOM 1363 CA ASP A 85 -7.608 -5.490 8.192 1.00 0.00 C ATOM 1364 C ASP A 85 -7.212 -6.598 9.174 1.00 0.00 C ATOM 1365 O ASP A 85 -7.680 -6.628 10.303 1.00 0.00 O ATOM 1366 CB ASP A 85 -9.096 -5.657 7.788 1.00 0.00 C ATOM 1367 CG ASP A 85 -9.800 -4.358 7.383 1.00 0.00 C ATOM 1368 OD1 ASP A 85 -9.257 -3.558 6.564 1.00 0.00 O ATOM 1369 OD2 ASP A 85 -10.935 -4.100 7.855 1.00 0.00 O ATOM 0 H ASP A 85 -7.074 -6.039 6.231 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.476 -4.533 8.696 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.156 -6.361 6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.637 -6.102 8.623 1.00 0.00 H new ATOM 1374 N ASN A 86 -6.342 -7.503 8.746 1.00 0.00 N ATOM 1375 CA ASN A 86 -5.952 -8.648 9.594 1.00 0.00 C ATOM 1376 C ASN A 86 -4.470 -8.675 9.861 1.00 0.00 C ATOM 1377 O ASN A 86 -4.029 -8.652 11.011 1.00 0.00 O ATOM 1378 CB ASN A 86 -6.393 -9.985 8.973 1.00 0.00 C ATOM 1379 CG ASN A 86 -7.891 -10.190 9.013 1.00 0.00 C ATOM 1380 OD1 ASN A 86 -8.429 -10.788 9.936 1.00 0.00 O ATOM 1381 ND2 ASN A 86 -8.567 -9.688 8.026 1.00 0.00 N ATOM 0 H ASN A 86 -5.892 -7.478 7.831 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.467 -8.515 10.545 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.054 -10.028 7.938 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.906 -10.804 9.503 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -9.582 -9.785 8.001 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.083 -9.196 7.275 1.00 0.00 H new ATOM 1388 N ASN A 87 -3.683 -8.717 8.817 1.00 0.00 N ATOM 1389 CA ASN A 87 -2.236 -8.759 8.985 1.00 0.00 C ATOM 1390 C ASN A 87 -1.568 -7.666 8.134 1.00 0.00 C ATOM 1391 O ASN A 87 -0.975 -7.948 7.105 1.00 0.00 O ATOM 1392 CB ASN A 87 -1.675 -10.153 8.622 1.00 0.00 C ATOM 1393 CG ASN A 87 -0.198 -10.337 8.983 1.00 0.00 C ATOM 1394 OD1 ASN A 87 0.299 -9.787 9.981 1.00 0.00 O ATOM 1395 ND2 ASN A 87 0.510 -11.101 8.185 1.00 0.00 N ATOM 0 H ASN A 87 -4.005 -8.723 7.849 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.009 -8.571 10.034 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.262 -10.915 9.134 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -1.801 -10.318 7.552 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.500 -11.259 8.375 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.071 -11.537 7.374 1.00 0.00 H new ATOM 1402 N PRO A 88 -1.676 -6.377 8.553 1.00 0.00 N ATOM 1403 CA PRO A 88 -1.131 -5.221 7.785 1.00 0.00 C ATOM 1404 C PRO A 88 0.403 -5.183 7.794 1.00 0.00 C ATOM 1405 O PRO A 88 1.050 -4.346 7.155 1.00 0.00 O ATOM 1406 CB PRO A 88 -1.692 -4.012 8.534 1.00 0.00 C ATOM 1407 CG PRO A 88 -1.970 -4.493 9.912 1.00 0.00 C ATOM 1408 CD PRO A 88 -2.375 -5.926 9.783 1.00 0.00 C ATOM 0 HA PRO A 88 -1.409 -5.263 6.732 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.977 -3.189 8.542 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.599 -3.641 8.057 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.087 -4.394 10.544 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.762 -3.906 10.376 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.071 -6.508 10.653 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.456 -6.030 9.691 1.00 0.00 H new ATOM 1416 N LYS A 89 0.951 -6.069 8.556 1.00 0.00 N ATOM 1417 CA LYS A 89 2.365 -6.224 8.734 1.00 0.00 C ATOM 1418 C LYS A 89 2.854 -7.475 8.003 1.00 0.00 C ATOM 1419 O LYS A 89 3.888 -8.040 8.375 1.00 0.00 O ATOM 1420 CB LYS A 89 2.693 -6.296 10.234 1.00 0.00 C ATOM 1421 CG LYS A 89 1.877 -7.331 10.986 1.00 0.00 C ATOM 1422 CD LYS A 89 2.302 -7.459 12.433 1.00 0.00 C ATOM 1423 CE LYS A 89 1.404 -8.437 13.178 1.00 0.00 C ATOM 1424 NZ LYS A 89 1.375 -9.781 12.540 1.00 0.00 N ATOM 0 H LYS A 89 0.405 -6.738 9.099 1.00 0.00 H new ATOM 0 HA LYS A 89 2.881 -5.363 8.309 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.752 -6.523 10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.523 -5.317 10.682 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.822 -7.060 10.942 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.978 -8.298 10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.337 -7.798 12.484 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.262 -6.482 12.916 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.752 -8.534 14.207 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.391 -8.036 13.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.968 -10.471 13.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.793 -9.744 11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.343 -10.068 12.292 1.00 0.00 H new ATOM 1438 N VAL A 90 2.072 -7.933 7.002 1.00 0.00 N ATOM 1439 CA VAL A 90 2.393 -9.138 6.217 1.00 0.00 C ATOM 1440 C VAL A 90 3.726 -9.037 5.433 1.00 0.00 C ATOM 1441 O VAL A 90 3.800 -8.708 4.247 1.00 0.00 O ATOM 1442 CB VAL A 90 1.204 -9.658 5.342 1.00 0.00 C ATOM 1443 CG1 VAL A 90 0.733 -8.628 4.339 1.00 0.00 C ATOM 1444 CG2 VAL A 90 1.541 -10.984 4.669 1.00 0.00 C ATOM 0 H VAL A 90 1.204 -7.478 6.718 1.00 0.00 H new ATOM 0 HA VAL A 90 2.558 -9.913 6.966 1.00 0.00 H new ATOM 0 HB VAL A 90 0.370 -9.837 6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.093 -9.038 3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.398 -7.734 4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.554 -8.369 3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.692 -11.314 4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.411 -10.855 4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.761 -11.733 5.430 1.00 0.00 H new ATOM 1454 N LYS A 91 4.735 -9.288 6.181 1.00 0.00 N ATOM 1455 CA LYS A 91 6.136 -9.319 5.840 1.00 0.00 C ATOM 1456 C LYS A 91 6.705 -10.218 6.888 1.00 0.00 C ATOM 1457 O LYS A 91 7.574 -11.041 6.648 1.00 0.00 O ATOM 1458 CB LYS A 91 6.787 -7.916 5.935 1.00 0.00 C ATOM 1459 CG LYS A 91 6.275 -6.909 4.911 1.00 0.00 C ATOM 1460 CD LYS A 91 6.911 -5.531 5.053 1.00 0.00 C ATOM 1461 CE LYS A 91 8.416 -5.540 4.800 1.00 0.00 C ATOM 1462 NZ LYS A 91 8.966 -4.171 4.738 1.00 0.00 N ATOM 0 H LYS A 91 4.598 -9.504 7.168 1.00 0.00 H new ATOM 0 HA LYS A 91 6.310 -9.652 4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.615 -7.517 6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.865 -8.021 5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.469 -7.290 3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.194 -6.815 5.013 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.435 -4.843 4.354 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.719 -5.150 6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.915 -6.098 5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.625 -6.059 3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.975 -4.191 4.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.855 -3.796 3.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.455 -3.561 5.408 1.00 0.00 H new ATOM 1476 N PHE A 92 6.159 -10.029 8.071 1.00 0.00 N ATOM 1477 CA PHE A 92 6.363 -10.909 9.177 1.00 0.00 C ATOM 1478 C PHE A 92 5.466 -12.112 8.938 1.00 0.00 C ATOM 1479 O PHE A 92 4.333 -11.957 8.432 1.00 0.00 O ATOM 1480 CB PHE A 92 5.967 -10.221 10.497 1.00 0.00 C ATOM 1481 CG PHE A 92 6.760 -8.980 10.824 1.00 0.00 C ATOM 1482 CD1 PHE A 92 6.356 -7.734 10.366 1.00 0.00 C ATOM 1483 CD2 PHE A 92 7.906 -9.061 11.597 1.00 0.00 C ATOM 1484 CE1 PHE A 92 7.078 -6.597 10.670 1.00 0.00 C ATOM 1485 CE2 PHE A 92 8.632 -7.927 11.905 1.00 0.00 C ATOM 1486 CZ PHE A 92 8.218 -6.694 11.441 1.00 0.00 C ATOM 0 H PHE A 92 5.550 -9.239 8.284 1.00 0.00 H new ATOM 0 HA PHE A 92 7.412 -11.196 9.256 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.910 -9.959 10.451 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.083 -10.935 11.312 1.00 0.00 H new ATOM 0 HD1 PHE A 92 5.464 -7.652 9.763 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.236 -10.022 11.963 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.751 -5.634 10.305 1.00 0.00 H new ATOM 0 HE2 PHE A 92 9.524 -8.005 12.509 1.00 0.00 H new ATOM 0 HZ PHE A 92 8.786 -5.807 11.681 1.00 0.00 H new ATOM 1496 N SER A 93 5.953 -13.274 9.270 1.00 0.00 N ATOM 1497 CA SER A 93 5.249 -14.512 9.034 1.00 0.00 C ATOM 1498 C SER A 93 4.070 -14.722 10.023 1.00 0.00 C ATOM 1499 O SER A 93 3.691 -13.799 10.776 1.00 0.00 O ATOM 1500 CB SER A 93 6.261 -15.641 9.135 1.00 0.00 C ATOM 1501 OG SER A 93 7.384 -15.349 8.316 1.00 0.00 O ATOM 0 H SER A 93 6.861 -13.394 9.718 1.00 0.00 H new ATOM 0 HA SER A 93 4.797 -14.488 8.042 1.00 0.00 H new ATOM 0 HB2 SER A 93 6.577 -15.768 10.170 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.805 -16.581 8.823 1.00 0.00 H new ATOM 0 HG SER A 93 8.036 -16.077 8.384 1.00 0.00 H new TER 1507 SER A 93