USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 787 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 52 SER OG : rot 2:sc= -1.34 USER MOD Set 1.2: A 64 MET CE :methyl -122:sc= -4.51! (180deg=-7.85!) USER MOD Set 2.1: A 14 MET CE :methyl -156:sc= -1.64 (180deg=-3.1!) USER MOD Set 2.2: A 48 SER OG : rot 176:sc= 1.01 USER MOD Set 3.1: A 32 MET CE :methyl -116:sc= -6.53! (180deg=-15!) USER MOD Set 3.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 9 LYS NZ :NH3+ 180:sc= 0.673 (180deg=0) USER MOD Set 4.2: A 12 SER OG : rot -23:sc= -3.27! USER MOD Single : A 13 ASN : amide:sc= -0.0925 K(o=-0.093,f=-1.5!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 124:sc= -0.228 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.136 K(o=-0.14,f=-3.2) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.377 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00025 USER MOD Single : A 45 ASN : amide:sc= -1.25 K(o=-1.3,f=-2.3!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot -160:sc= -0.249 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00393 USER MOD Single : A 54 LYS NZ :NH3+ 179:sc= 0.771 (180deg=0.77) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 144:sc= 0.803 (180deg=-0.189) USER MOD Single : A 60 MET CE :methyl 153:sc= -6.1! (180deg=-8.15!) USER MOD Single : A 61 ASN : amide:sc= -1.01 X(o=-1,f=-0.92) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -170:sc=-0.00155 (180deg=-0.147) USER MOD Single : A 71 ASN : amide:sc= -0.172 K(o=-0.17,f=-6.6!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.25 USER MOD Single : A 81 GLN : amide:sc= -1.27 X(o=-1.3,f=-1) USER MOD Single : A 86 SER OG : rot 156:sc= 0.0623 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.04 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.2) USER MOD Single : A 97 HIS : no HE2:sc= -2.59 K(o=-2.6,f=-6.6!) USER MOD Single : A 100 SER OG : rot 123:sc= 0.661 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 9 2.043 13.209 -7.661 1.00 0.00 N ATOM 79 CA LYS A 9 1.144 12.093 -7.427 1.00 0.00 C ATOM 80 C LYS A 9 1.894 10.781 -7.665 1.00 0.00 C ATOM 81 O LYS A 9 1.961 10.295 -8.793 1.00 0.00 O ATOM 82 CB LYS A 9 -0.123 12.238 -8.274 1.00 0.00 C ATOM 83 CG LYS A 9 -0.847 13.548 -7.956 1.00 0.00 C ATOM 84 CD LYS A 9 -2.355 13.406 -8.168 1.00 0.00 C ATOM 85 CE LYS A 9 -2.821 14.238 -9.364 1.00 0.00 C ATOM 86 NZ LYS A 9 -3.561 13.392 -10.328 1.00 0.00 N ATOM 0 HA LYS A 9 0.808 12.086 -6.390 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.137 12.210 -9.332 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.789 11.395 -8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.647 13.837 -6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.460 14.345 -8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.606 12.358 -8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.884 13.725 -7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.459 15.052 -9.021 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.961 14.692 -9.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.870 13.973 -11.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.941 12.630 -10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.393 12.979 -9.860 1.00 0.00 H new ATOM 100 N PRO A 10 2.455 10.230 -6.555 1.00 0.00 N ATOM 101 CA PRO A 10 3.199 8.984 -6.631 1.00 0.00 C ATOM 102 C PRO A 10 2.254 7.791 -6.788 1.00 0.00 C ATOM 103 O PRO A 10 2.656 6.736 -7.275 1.00 0.00 O ATOM 104 CB PRO A 10 4.013 8.933 -5.349 1.00 0.00 C ATOM 105 CG PRO A 10 3.350 9.913 -4.394 1.00 0.00 C ATOM 106 CD PRO A 10 2.397 10.778 -5.203 1.00 0.00 C ATOM 0 HA PRO A 10 3.852 8.936 -7.503 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.021 7.926 -4.932 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.051 9.210 -5.534 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.810 9.379 -3.612 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.100 10.530 -3.899 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.385 10.734 -4.801 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.701 11.824 -5.187 1.00 0.00 H new ATOM 114 N LEU A 11 1.015 7.998 -6.365 1.00 0.00 N ATOM 115 CA LEU A 11 0.010 6.952 -6.452 1.00 0.00 C ATOM 116 C LEU A 11 -0.958 7.276 -7.591 1.00 0.00 C ATOM 117 O LEU A 11 -1.831 6.472 -7.916 1.00 0.00 O ATOM 118 CB LEU A 11 -0.676 6.755 -5.099 1.00 0.00 C ATOM 119 CG LEU A 11 0.251 6.633 -3.888 1.00 0.00 C ATOM 120 CD1 LEU A 11 -0.537 6.740 -2.581 1.00 0.00 C ATOM 121 CD2 LEU A 11 1.075 5.346 -3.956 1.00 0.00 C ATOM 0 H LEU A 11 0.685 8.874 -5.961 1.00 0.00 H new ATOM 0 HA LEU A 11 0.475 5.995 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.352 7.594 -4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.291 5.856 -5.153 1.00 0.00 H new ATOM 0 HG LEU A 11 0.953 7.467 -3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.146 6.650 -1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.042 7.705 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.277 5.941 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.725 5.284 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.406 4.486 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.682 5.350 -4.861 1.00 0.00 H new ATOM 133 N SER A 12 -0.772 8.454 -8.167 1.00 0.00 N ATOM 134 CA SER A 12 -1.618 8.893 -9.264 1.00 0.00 C ATOM 135 C SER A 12 -1.917 7.719 -10.197 1.00 0.00 C ATOM 136 O SER A 12 -1.134 7.421 -11.097 1.00 0.00 O ATOM 137 CB SER A 12 -0.962 10.036 -10.042 1.00 0.00 C ATOM 138 OG SER A 12 -1.764 11.214 -10.037 1.00 0.00 O ATOM 0 H SER A 12 -0.048 9.119 -7.895 1.00 0.00 H new ATOM 0 HA SER A 12 -2.554 9.264 -8.846 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.012 10.259 -9.607 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.787 9.721 -11.071 1.00 0.00 H new ATOM 0 HG SER A 12 -2.699 10.972 -9.872 1.00 0.00 H new ATOM 144 N ASN A 13 -3.053 7.083 -9.950 1.00 0.00 N ATOM 145 CA ASN A 13 -3.465 5.947 -10.757 1.00 0.00 C ATOM 146 C ASN A 13 -2.850 4.669 -10.184 1.00 0.00 C ATOM 147 O ASN A 13 -2.256 3.879 -10.917 1.00 0.00 O ATOM 148 CB ASN A 13 -2.987 6.096 -12.203 1.00 0.00 C ATOM 149 CG ASN A 13 -3.952 5.412 -13.173 1.00 0.00 C ATOM 150 OD1 ASN A 13 -4.895 4.744 -12.784 1.00 0.00 O ATOM 151 ND2 ASN A 13 -3.664 5.616 -14.456 1.00 0.00 N ATOM 0 H ASN A 13 -3.701 7.333 -9.203 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.554 5.899 -10.741 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.902 7.153 -12.454 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.992 5.662 -12.307 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.249 5.202 -15.182 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.859 6.187 -14.713 1.00 0.00 H new ATOM 158 N MET A 14 -3.012 4.506 -8.879 1.00 0.00 N ATOM 159 CA MET A 14 -2.479 3.337 -8.200 1.00 0.00 C ATOM 160 C MET A 14 -3.413 2.883 -7.076 1.00 0.00 C ATOM 161 O MET A 14 -3.754 3.668 -6.192 1.00 0.00 O ATOM 162 CB MET A 14 -1.103 3.668 -7.618 1.00 0.00 C ATOM 163 CG MET A 14 -0.027 3.640 -8.705 1.00 0.00 C ATOM 164 SD MET A 14 0.993 2.187 -8.518 1.00 0.00 S ATOM 165 CE MET A 14 1.442 2.344 -6.797 1.00 0.00 C ATOM 0 H MET A 14 -3.504 5.163 -8.274 1.00 0.00 H new ATOM 0 HA MET A 14 -2.392 2.527 -8.924 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.129 4.653 -7.152 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.853 2.952 -6.835 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.494 3.642 -9.690 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.589 4.537 -8.642 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.373 1.808 -6.614 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.575 3.397 -6.550 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.652 1.922 -6.175 1.00 0.00 H new ATOM 175 N LYS A 15 -3.801 1.618 -7.146 1.00 0.00 N ATOM 176 CA LYS A 15 -4.688 1.051 -6.146 1.00 0.00 C ATOM 177 C LYS A 15 -3.857 0.498 -4.987 1.00 0.00 C ATOM 178 O LYS A 15 -3.195 -0.529 -5.128 1.00 0.00 O ATOM 179 CB LYS A 15 -5.621 0.017 -6.782 1.00 0.00 C ATOM 180 CG LYS A 15 -6.981 0.635 -7.110 1.00 0.00 C ATOM 181 CD LYS A 15 -7.535 0.076 -8.422 1.00 0.00 C ATOM 182 CE LYS A 15 -9.016 -0.281 -8.284 1.00 0.00 C ATOM 183 NZ LYS A 15 -9.662 -0.338 -9.615 1.00 0.00 N ATOM 0 H LYS A 15 -3.517 0.970 -7.880 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.338 1.822 -5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.167 -0.377 -7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.754 -0.825 -6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.681 0.433 -6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.884 1.718 -7.184 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.407 0.810 -9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.969 -0.809 -8.712 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.119 -1.243 -7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.518 0.459 -7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.667 -0.582 -9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.580 0.588 -10.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.193 -1.061 -10.198 1.00 0.00 H new ATOM 197 N ILE A 16 -3.918 1.203 -3.867 1.00 0.00 N ATOM 198 CA ILE A 16 -3.179 0.796 -2.685 1.00 0.00 C ATOM 199 C ILE A 16 -4.092 -0.030 -1.777 1.00 0.00 C ATOM 200 O ILE A 16 -5.271 0.285 -1.625 1.00 0.00 O ATOM 201 CB ILE A 16 -2.562 2.013 -1.993 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.510 2.676 -2.885 1.00 0.00 C ATOM 203 CG2 ILE A 16 -1.995 1.636 -0.622 1.00 0.00 C ATOM 204 CD1 ILE A 16 -2.140 3.200 -4.177 1.00 0.00 C ATOM 0 H ILE A 16 -4.468 2.054 -3.753 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.341 0.157 -2.962 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.351 2.746 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.037 3.498 -2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.725 1.958 -3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.563 2.519 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.794 1.245 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.224 0.875 -0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.372 3.667 -4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.591 2.372 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.907 3.935 -3.935 1.00 0.00 H new ATOM 216 N LEU A 17 -3.513 -1.071 -1.197 1.00 0.00 N ATOM 217 CA LEU A 17 -4.260 -1.945 -0.308 1.00 0.00 C ATOM 218 C LEU A 17 -3.749 -1.766 1.123 1.00 0.00 C ATOM 219 O LEU A 17 -2.648 -1.260 1.334 1.00 0.00 O ATOM 220 CB LEU A 17 -4.203 -3.390 -0.806 1.00 0.00 C ATOM 221 CG LEU A 17 -5.362 -4.293 -0.377 1.00 0.00 C ATOM 222 CD1 LEU A 17 -5.083 -4.933 0.985 1.00 0.00 C ATOM 223 CD2 LEU A 17 -6.687 -3.529 -0.390 1.00 0.00 C ATOM 0 H LEU A 17 -2.535 -1.329 -1.325 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.316 -1.675 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.163 -3.377 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.272 -3.837 -0.458 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.450 -5.102 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.922 -5.570 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.175 -5.534 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.953 -4.152 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.494 -4.194 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.628 -2.686 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.885 -3.161 -1.397 1.00 0.00 H new ATOM 235 N THR A 18 -4.574 -2.192 2.069 1.00 0.00 N ATOM 236 CA THR A 18 -4.220 -2.086 3.474 1.00 0.00 C ATOM 237 C THR A 18 -4.622 -3.358 4.223 1.00 0.00 C ATOM 238 O THR A 18 -5.564 -4.043 3.829 1.00 0.00 O ATOM 239 CB THR A 18 -4.873 -0.820 4.032 1.00 0.00 C ATOM 240 OG1 THR A 18 -6.270 -1.047 3.863 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.589 0.413 3.172 1.00 0.00 C ATOM 0 H THR A 18 -5.486 -2.611 1.890 1.00 0.00 H new ATOM 0 HA THR A 18 -3.141 -1.997 3.604 1.00 0.00 H new ATOM 0 HB THR A 18 -4.516 -0.644 5.047 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.722 -0.962 4.728 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.075 1.284 3.612 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.513 0.583 3.124 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.976 0.252 2.166 1.00 0.00 H new ATOM 249 N LEU A 19 -3.887 -3.635 5.290 1.00 0.00 N ATOM 250 CA LEU A 19 -4.155 -4.813 6.098 1.00 0.00 C ATOM 251 C LEU A 19 -3.878 -4.491 7.568 1.00 0.00 C ATOM 252 O LEU A 19 -3.181 -3.526 7.875 1.00 0.00 O ATOM 253 CB LEU A 19 -3.367 -6.014 5.572 1.00 0.00 C ATOM 254 CG LEU A 19 -4.172 -7.053 4.788 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.245 -8.018 4.046 1.00 0.00 C ATOM 256 CD2 LEU A 19 -5.154 -7.789 5.702 1.00 0.00 C ATOM 0 H LEU A 19 -3.106 -3.064 5.614 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.206 -5.094 6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.566 -5.645 4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.895 -6.513 6.418 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.763 -6.531 4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.842 -8.746 3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.622 -7.459 3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.610 -8.537 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.713 -8.522 5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.603 -8.298 6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.846 -7.072 6.145 1.00 0.00 H new ATOM 268 N GLY A 20 -4.440 -5.319 8.437 1.00 0.00 N ATOM 269 CA GLY A 20 -4.262 -5.135 9.868 1.00 0.00 C ATOM 270 C GLY A 20 -4.753 -3.754 10.308 1.00 0.00 C ATOM 271 O GLY A 20 -5.710 -3.224 9.747 1.00 0.00 O ATOM 0 H GLY A 20 -5.018 -6.118 8.178 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.808 -5.908 10.408 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.209 -5.249 10.125 1.00 0.00 H new ATOM 275 N LYS A 21 -4.074 -3.211 11.308 1.00 0.00 N ATOM 276 CA LYS A 21 -4.429 -1.903 11.831 1.00 0.00 C ATOM 277 C LYS A 21 -3.210 -0.982 11.759 1.00 0.00 C ATOM 278 O LYS A 21 -2.088 -1.409 12.026 1.00 0.00 O ATOM 279 CB LYS A 21 -5.022 -2.029 13.235 1.00 0.00 C ATOM 280 CG LYS A 21 -5.632 -0.703 13.694 1.00 0.00 C ATOM 281 CD LYS A 21 -7.016 -0.492 13.076 1.00 0.00 C ATOM 282 CE LYS A 21 -6.998 0.664 12.074 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.157 1.558 12.294 1.00 0.00 N ATOM 0 H LYS A 21 -3.280 -3.654 11.770 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.209 -1.448 11.221 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.786 -2.807 13.243 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.246 -2.338 13.935 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.710 -0.692 14.781 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.975 0.120 13.413 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.339 -1.406 12.577 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.742 -0.285 13.862 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.071 1.228 12.177 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.021 0.272 11.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.130 2.337 11.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.039 1.020 12.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.118 1.946 13.258 1.00 0.00 H new ATOM 297 N LEU A 22 -3.471 0.266 11.396 1.00 0.00 N ATOM 298 CA LEU A 22 -2.408 1.251 11.286 1.00 0.00 C ATOM 299 C LEU A 22 -2.617 2.340 12.339 1.00 0.00 C ATOM 300 O LEU A 22 -3.587 2.300 13.095 1.00 0.00 O ATOM 301 CB LEU A 22 -2.322 1.787 9.855 1.00 0.00 C ATOM 302 CG LEU A 22 -2.343 0.737 8.743 1.00 0.00 C ATOM 303 CD1 LEU A 22 -2.972 1.302 7.468 1.00 0.00 C ATOM 304 CD2 LEU A 22 -0.942 0.177 8.491 1.00 0.00 C ATOM 0 H LEU A 22 -4.403 0.617 11.174 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.440 0.793 11.489 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.153 2.474 9.695 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.405 2.369 9.761 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.968 -0.094 9.070 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.975 0.535 6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.996 1.613 7.674 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.394 2.161 7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.985 -0.567 7.696 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.275 0.986 8.195 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.566 -0.287 9.403 1.00 0.00 H new ATOM 316 N SER A 23 -1.691 3.288 12.356 1.00 0.00 N ATOM 317 CA SER A 23 -1.762 4.386 13.305 1.00 0.00 C ATOM 318 C SER A 23 -2.952 5.289 12.973 1.00 0.00 C ATOM 319 O SER A 23 -3.661 5.742 13.870 1.00 0.00 O ATOM 320 CB SER A 23 -0.464 5.197 13.306 1.00 0.00 C ATOM 321 OG SER A 23 0.156 5.209 14.589 1.00 0.00 O ATOM 0 H SER A 23 -0.888 3.318 11.728 1.00 0.00 H new ATOM 0 HA SER A 23 -1.899 3.968 14.302 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.226 4.778 12.574 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.675 6.220 12.996 1.00 0.00 H new ATOM 0 HG SER A 23 0.982 5.735 14.548 1.00 0.00 H new ATOM 327 N ARG A 24 -3.133 5.523 11.682 1.00 0.00 N ATOM 328 CA ARG A 24 -4.225 6.364 11.220 1.00 0.00 C ATOM 329 C ARG A 24 -5.467 5.515 10.941 1.00 0.00 C ATOM 330 O ARG A 24 -5.454 4.303 11.147 1.00 0.00 O ATOM 331 CB ARG A 24 -3.837 7.122 9.949 1.00 0.00 C ATOM 332 CG ARG A 24 -2.760 8.168 10.241 1.00 0.00 C ATOM 333 CD ARG A 24 -3.052 9.477 9.505 1.00 0.00 C ATOM 334 NE ARG A 24 -1.828 10.306 9.441 1.00 0.00 N ATOM 335 CZ ARG A 24 -0.878 10.171 8.505 1.00 0.00 C ATOM 336 NH1 ARG A 24 -1.005 9.240 7.551 1.00 0.00 N ATOM 337 NH2 ARG A 24 0.199 10.968 8.525 1.00 0.00 N ATOM 0 H ARG A 24 -2.542 5.145 10.941 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.444 7.086 12.007 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.473 6.419 9.199 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.717 7.609 9.529 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.710 8.353 11.314 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.785 7.786 9.938 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.411 9.265 8.498 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.844 10.023 10.017 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.699 11.025 10.153 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.825 8.633 7.536 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.282 9.138 6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.296 11.677 9.252 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.922 10.866 7.813 1.00 0.00 H new ATOM 351 N ASN A 25 -6.511 6.186 10.477 1.00 0.00 N ATOM 352 CA ASN A 25 -7.758 5.509 10.167 1.00 0.00 C ATOM 353 C ASN A 25 -7.828 5.240 8.663 1.00 0.00 C ATOM 354 O ASN A 25 -7.296 6.011 7.866 1.00 0.00 O ATOM 355 CB ASN A 25 -8.963 6.371 10.550 1.00 0.00 C ATOM 356 CG ASN A 25 -10.263 5.571 10.452 1.00 0.00 C ATOM 357 OD1 ASN A 25 -10.273 4.351 10.447 1.00 0.00 O ATOM 358 ND2 ASN A 25 -11.357 6.323 10.374 1.00 0.00 N ATOM 0 H ASN A 25 -6.519 7.192 10.308 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.786 4.578 10.734 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.838 6.746 11.566 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.016 7.240 9.894 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.275 5.883 10.305 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.279 7.340 10.383 1.00 0.00 H new ATOM 365 N LYS A 26 -8.489 4.144 8.320 1.00 0.00 N ATOM 366 CA LYS A 26 -8.635 3.764 6.925 1.00 0.00 C ATOM 367 C LYS A 26 -9.009 4.997 6.101 1.00 0.00 C ATOM 368 O LYS A 26 -8.617 5.115 4.941 1.00 0.00 O ATOM 369 CB LYS A 26 -9.628 2.608 6.786 1.00 0.00 C ATOM 370 CG LYS A 26 -8.996 1.430 6.041 1.00 0.00 C ATOM 371 CD LYS A 26 -10.017 0.748 5.128 1.00 0.00 C ATOM 372 CE LYS A 26 -9.430 -0.515 4.495 1.00 0.00 C ATOM 373 NZ LYS A 26 -10.432 -1.175 3.629 1.00 0.00 N ATOM 0 H LYS A 26 -8.929 3.507 8.984 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.689 3.392 6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.956 2.285 7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.515 2.948 6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.151 1.781 5.449 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.605 0.709 6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.908 0.491 5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.329 1.440 4.346 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.547 -0.259 3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.106 -1.203 5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.017 -2.030 3.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.263 -1.437 4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.721 -0.522 2.873 1.00 0.00 H new ATOM 387 N ASP A 27 -9.761 5.886 6.733 1.00 0.00 N ATOM 388 CA ASP A 27 -10.192 7.106 6.073 1.00 0.00 C ATOM 389 C ASP A 27 -8.983 8.020 5.860 1.00 0.00 C ATOM 390 O ASP A 27 -8.607 8.302 4.724 1.00 0.00 O ATOM 391 CB ASP A 27 -11.212 7.863 6.926 1.00 0.00 C ATOM 392 CG ASP A 27 -12.495 7.090 7.238 1.00 0.00 C ATOM 393 OD1 ASP A 27 -12.376 5.872 7.493 1.00 0.00 O ATOM 394 OD2 ASP A 27 -13.566 7.735 7.214 1.00 0.00 O ATOM 0 H ASP A 27 -10.083 5.785 7.696 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.649 6.832 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.738 8.146 7.866 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.478 8.787 6.413 1.00 0.00 H new ATOM 399 N GLU A 28 -8.409 8.457 6.971 1.00 0.00 N ATOM 400 CA GLU A 28 -7.251 9.332 6.920 1.00 0.00 C ATOM 401 C GLU A 28 -6.263 8.845 5.858 1.00 0.00 C ATOM 402 O GLU A 28 -5.607 9.651 5.200 1.00 0.00 O ATOM 403 CB GLU A 28 -6.577 9.431 8.291 1.00 0.00 C ATOM 404 CG GLU A 28 -7.499 10.106 9.308 1.00 0.00 C ATOM 405 CD GLU A 28 -6.717 11.069 10.203 1.00 0.00 C ATOM 406 OE1 GLU A 28 -6.406 12.175 9.711 1.00 0.00 O ATOM 407 OE2 GLU A 28 -6.448 10.677 11.359 1.00 0.00 O ATOM 0 H GLU A 28 -8.725 8.221 7.912 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.588 10.331 6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.311 8.434 8.642 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.649 9.997 8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.287 10.648 8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.986 9.348 9.922 1.00 0.00 H new ATOM 414 N VAL A 29 -6.189 7.529 5.723 1.00 0.00 N ATOM 415 CA VAL A 29 -5.293 6.925 4.752 1.00 0.00 C ATOM 416 C VAL A 29 -5.967 6.917 3.379 1.00 0.00 C ATOM 417 O VAL A 29 -5.378 7.356 2.392 1.00 0.00 O ATOM 418 CB VAL A 29 -4.876 5.530 5.222 1.00 0.00 C ATOM 419 CG1 VAL A 29 -3.971 4.852 4.190 1.00 0.00 C ATOM 420 CG2 VAL A 29 -4.196 5.593 6.591 1.00 0.00 C ATOM 0 H VAL A 29 -6.735 6.864 6.270 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.378 7.510 4.661 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.778 4.927 5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.689 3.862 4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.505 4.757 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.074 5.453 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.910 4.588 6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.307 6.220 6.527 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.886 6.016 7.321 1.00 0.00 H new ATOM 430 N LYS A 30 -7.193 6.414 3.359 1.00 0.00 N ATOM 431 CA LYS A 30 -7.953 6.344 2.123 1.00 0.00 C ATOM 432 C LYS A 30 -7.944 7.715 1.445 1.00 0.00 C ATOM 433 O LYS A 30 -8.015 7.806 0.220 1.00 0.00 O ATOM 434 CB LYS A 30 -9.358 5.798 2.389 1.00 0.00 C ATOM 435 CG LYS A 30 -10.239 5.924 1.144 1.00 0.00 C ATOM 436 CD LYS A 30 -11.722 5.861 1.514 1.00 0.00 C ATOM 437 CE LYS A 30 -12.591 5.676 0.268 1.00 0.00 C ATOM 438 NZ LYS A 30 -13.875 5.032 0.623 1.00 0.00 N ATOM 0 H LYS A 30 -7.679 6.051 4.179 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.489 5.643 1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.295 4.752 2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.813 6.341 3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.026 6.865 0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.001 5.124 0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.893 5.037 2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.011 6.776 2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.779 6.643 -0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.062 5.066 -0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.453 4.914 -0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.691 4.101 1.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.386 5.628 1.305 1.00 0.00 H new ATOM 452 N ALA A 31 -7.856 8.747 2.270 1.00 0.00 N ATOM 453 CA ALA A 31 -7.836 10.110 1.765 1.00 0.00 C ATOM 454 C ALA A 31 -6.449 10.419 1.198 1.00 0.00 C ATOM 455 O ALA A 31 -6.331 11.016 0.129 1.00 0.00 O ATOM 456 CB ALA A 31 -8.238 11.074 2.882 1.00 0.00 C ATOM 0 H ALA A 31 -7.798 8.667 3.285 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.557 10.230 0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.223 12.096 2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.242 10.830 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.536 10.984 3.711 1.00 0.00 H new ATOM 462 N MET A 32 -5.435 9.999 1.940 1.00 0.00 N ATOM 463 CA MET A 32 -4.061 10.224 1.524 1.00 0.00 C ATOM 464 C MET A 32 -3.778 9.553 0.179 1.00 0.00 C ATOM 465 O MET A 32 -3.354 10.211 -0.771 1.00 0.00 O ATOM 466 CB MET A 32 -3.109 9.665 2.584 1.00 0.00 C ATOM 467 CG MET A 32 -2.277 10.782 3.218 1.00 0.00 C ATOM 468 SD MET A 32 -1.009 11.319 2.082 1.00 0.00 S ATOM 469 CE MET A 32 0.447 10.815 2.983 1.00 0.00 C ATOM 0 H MET A 32 -5.537 9.504 2.826 1.00 0.00 H new ATOM 0 HA MET A 32 -3.906 11.297 1.413 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.681 9.150 3.356 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.448 8.927 2.131 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.921 11.622 3.481 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.822 10.428 4.143 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.030 11.695 3.254 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.150 10.284 3.887 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.052 10.157 2.359 1.00 0.00 H new ATOM 479 N ILE A 33 -4.023 8.251 0.140 1.00 0.00 N ATOM 480 CA ILE A 33 -3.801 7.484 -1.074 1.00 0.00 C ATOM 481 C ILE A 33 -4.549 8.143 -2.234 1.00 0.00 C ATOM 482 O ILE A 33 -4.143 8.021 -3.389 1.00 0.00 O ATOM 483 CB ILE A 33 -4.174 6.016 -0.856 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.364 5.408 0.290 1.00 0.00 C ATOM 485 CG2 ILE A 33 -4.027 5.215 -2.151 1.00 0.00 C ATOM 486 CD1 ILE A 33 -4.058 4.168 0.855 1.00 0.00 C ATOM 0 H ILE A 33 -4.373 7.708 0.930 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.743 7.485 -1.336 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.224 5.970 -0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.368 5.142 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.233 6.148 1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.298 4.175 -1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.684 5.633 -2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.994 5.266 -2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.461 3.756 1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.043 4.442 1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.165 3.421 0.069 1.00 0.00 H new ATOM 498 N GLU A 34 -5.628 8.828 -1.887 1.00 0.00 N ATOM 499 CA GLU A 34 -6.437 9.507 -2.885 1.00 0.00 C ATOM 500 C GLU A 34 -5.833 10.873 -3.218 1.00 0.00 C ATOM 501 O GLU A 34 -5.604 11.187 -4.385 1.00 0.00 O ATOM 502 CB GLU A 34 -7.885 9.649 -2.413 1.00 0.00 C ATOM 503 CG GLU A 34 -8.691 8.387 -2.731 1.00 0.00 C ATOM 504 CD GLU A 34 -10.148 8.732 -3.045 1.00 0.00 C ATOM 505 OE1 GLU A 34 -10.353 9.523 -3.990 1.00 0.00 O ATOM 506 OE2 GLU A 34 -11.024 8.196 -2.332 1.00 0.00 O ATOM 0 H GLU A 34 -5.961 8.928 -0.928 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.443 8.903 -3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.905 9.837 -1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.346 10.511 -2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.245 7.870 -3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.650 7.702 -1.884 1.00 0.00 H new ATOM 513 N LYS A 35 -5.592 11.649 -2.171 1.00 0.00 N ATOM 514 CA LYS A 35 -5.019 12.974 -2.338 1.00 0.00 C ATOM 515 C LYS A 35 -3.744 12.871 -3.177 1.00 0.00 C ATOM 516 O LYS A 35 -3.536 13.663 -4.096 1.00 0.00 O ATOM 517 CB LYS A 35 -4.807 13.641 -0.977 1.00 0.00 C ATOM 518 CG LYS A 35 -3.640 14.630 -1.027 1.00 0.00 C ATOM 519 CD LYS A 35 -2.331 13.953 -0.616 1.00 0.00 C ATOM 520 CE LYS A 35 -1.150 14.516 -1.410 1.00 0.00 C ATOM 521 NZ LYS A 35 -0.826 15.887 -0.955 1.00 0.00 N ATOM 0 H LYS A 35 -5.783 11.386 -1.204 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.707 13.621 -2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.717 14.161 -0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.611 12.880 -0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.544 15.034 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.843 15.471 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.160 14.100 0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.406 12.878 -0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.280 13.870 -1.287 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.391 14.527 -2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.023 16.254 -1.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.652 16.504 -1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.576 15.868 0.054 1.00 0.00 H new ATOM 535 N LEU A 36 -2.923 11.890 -2.832 1.00 0.00 N ATOM 536 CA LEU A 36 -1.674 11.674 -3.543 1.00 0.00 C ATOM 537 C LEU A 36 -1.969 11.455 -5.028 1.00 0.00 C ATOM 538 O LEU A 36 -1.239 11.946 -5.888 1.00 0.00 O ATOM 539 CB LEU A 36 -0.882 10.535 -2.899 1.00 0.00 C ATOM 540 CG LEU A 36 -0.141 10.881 -1.605 1.00 0.00 C ATOM 541 CD1 LEU A 36 0.042 9.639 -0.730 1.00 0.00 C ATOM 542 CD2 LEU A 36 1.189 11.574 -1.903 1.00 0.00 C ATOM 0 H LEU A 36 -3.098 11.236 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.037 12.555 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.568 9.713 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.155 10.169 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.751 11.586 -1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.571 9.912 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.934 9.227 -0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.620 8.892 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.695 11.809 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.818 10.913 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.004 12.495 -2.456 1.00 0.00 H new ATOM 554 N GLY A 37 -3.040 10.718 -5.284 1.00 0.00 N ATOM 555 CA GLY A 37 -3.440 10.428 -6.650 1.00 0.00 C ATOM 556 C GLY A 37 -3.866 8.966 -6.798 1.00 0.00 C ATOM 557 O GLY A 37 -4.459 8.587 -7.808 1.00 0.00 O ATOM 0 H GLY A 37 -3.643 10.313 -4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.264 11.081 -6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.613 10.640 -7.328 1.00 0.00 H new ATOM 561 N GLY A 38 -3.548 8.184 -5.777 1.00 0.00 N ATOM 562 CA GLY A 38 -3.891 6.772 -5.781 1.00 0.00 C ATOM 563 C GLY A 38 -5.362 6.563 -5.412 1.00 0.00 C ATOM 564 O GLY A 38 -6.173 7.479 -5.540 1.00 0.00 O ATOM 0 H GLY A 38 -3.057 8.501 -4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.696 6.350 -6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.256 6.238 -5.074 1.00 0.00 H new ATOM 568 N LYS A 39 -5.660 5.354 -4.962 1.00 0.00 N ATOM 569 CA LYS A 39 -7.018 5.013 -4.574 1.00 0.00 C ATOM 570 C LYS A 39 -6.997 3.745 -3.718 1.00 0.00 C ATOM 571 O LYS A 39 -6.416 2.736 -4.112 1.00 0.00 O ATOM 572 CB LYS A 39 -7.917 4.908 -5.808 1.00 0.00 C ATOM 573 CG LYS A 39 -8.715 6.197 -6.017 1.00 0.00 C ATOM 574 CD LYS A 39 -10.203 5.971 -5.744 1.00 0.00 C ATOM 575 CE LYS A 39 -11.007 5.977 -7.046 1.00 0.00 C ATOM 576 NZ LYS A 39 -11.969 7.101 -7.056 1.00 0.00 N ATOM 0 H LYS A 39 -4.984 4.597 -4.857 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.449 5.804 -3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.308 4.706 -6.689 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.601 4.067 -5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.335 6.976 -5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.579 6.552 -7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.342 5.019 -5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.576 6.749 -5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.331 6.061 -7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.541 5.033 -7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.506 7.090 -7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.625 7.004 -6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.453 8.000 -6.974 1.00 0.00 H new ATOM 590 N LEU A 40 -7.639 3.839 -2.563 1.00 0.00 N ATOM 591 CA LEU A 40 -7.701 2.712 -1.648 1.00 0.00 C ATOM 592 C LEU A 40 -8.688 1.676 -2.189 1.00 0.00 C ATOM 593 O LEU A 40 -9.781 2.026 -2.631 1.00 0.00 O ATOM 594 CB LEU A 40 -8.026 3.190 -0.231 1.00 0.00 C ATOM 595 CG LEU A 40 -7.754 2.188 0.893 1.00 0.00 C ATOM 596 CD1 LEU A 40 -6.703 2.727 1.865 1.00 0.00 C ATOM 597 CD2 LEU A 40 -9.051 1.802 1.608 1.00 0.00 C ATOM 0 H LEU A 40 -8.121 4.678 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.730 2.222 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.450 4.094 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.079 3.469 -0.195 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.347 1.279 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.528 1.996 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.772 2.912 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.059 3.658 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.830 1.089 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.509 2.693 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.739 1.349 0.894 1.00 0.00 H new ATOM 609 N THR A 41 -8.266 0.421 -2.135 1.00 0.00 N ATOM 610 CA THR A 41 -9.099 -0.669 -2.614 1.00 0.00 C ATOM 611 C THR A 41 -9.284 -1.721 -1.519 1.00 0.00 C ATOM 612 O THR A 41 -8.619 -1.669 -0.485 1.00 0.00 O ATOM 613 CB THR A 41 -8.463 -1.226 -3.889 1.00 0.00 C ATOM 614 OG1 THR A 41 -9.300 -2.323 -4.245 1.00 0.00 O ATOM 615 CG2 THR A 41 -7.098 -1.867 -3.631 1.00 0.00 C ATOM 0 H THR A 41 -7.359 0.135 -1.767 1.00 0.00 H new ATOM 0 HA THR A 41 -10.102 -0.320 -2.859 1.00 0.00 H new ATOM 0 HB THR A 41 -8.355 -0.425 -4.620 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.960 -2.741 -5.064 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.691 -2.246 -4.568 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.419 -1.122 -3.215 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.210 -2.690 -2.925 1.00 0.00 H new ATOM 623 N GLY A 42 -10.191 -2.650 -1.782 1.00 0.00 N ATOM 624 CA GLY A 42 -10.471 -3.713 -0.831 1.00 0.00 C ATOM 625 C GLY A 42 -9.691 -4.981 -1.180 1.00 0.00 C ATOM 626 O GLY A 42 -9.235 -5.699 -0.291 1.00 0.00 O ATOM 0 H GLY A 42 -10.742 -2.689 -2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.207 -3.385 0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.539 -3.929 -0.826 1.00 0.00 H new ATOM 630 N THR A 43 -9.561 -5.220 -2.477 1.00 0.00 N ATOM 631 CA THR A 43 -8.844 -6.389 -2.955 1.00 0.00 C ATOM 632 C THR A 43 -7.334 -6.140 -2.921 1.00 0.00 C ATOM 633 O THR A 43 -6.893 -5.007 -2.737 1.00 0.00 O ATOM 634 CB THR A 43 -9.372 -6.731 -4.349 1.00 0.00 C ATOM 635 OG1 THR A 43 -10.778 -6.521 -4.249 1.00 0.00 O ATOM 636 CG2 THR A 43 -9.241 -8.220 -4.676 1.00 0.00 C ATOM 0 H THR A 43 -9.941 -4.623 -3.212 1.00 0.00 H new ATOM 0 HA THR A 43 -9.015 -7.249 -2.307 1.00 0.00 H new ATOM 0 HB THR A 43 -8.833 -6.147 -5.094 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.200 -6.718 -5.111 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.630 -8.408 -5.677 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.191 -8.511 -4.634 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.808 -8.803 -3.950 1.00 0.00 H new ATOM 644 N ALA A 44 -6.585 -7.218 -3.102 1.00 0.00 N ATOM 645 CA ALA A 44 -5.134 -7.130 -3.095 1.00 0.00 C ATOM 646 C ALA A 44 -4.610 -7.298 -4.522 1.00 0.00 C ATOM 647 O ALA A 44 -3.758 -6.531 -4.969 1.00 0.00 O ATOM 648 CB ALA A 44 -4.564 -8.179 -2.137 1.00 0.00 C ATOM 0 H ALA A 44 -6.955 -8.156 -3.254 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.810 -6.152 -2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.476 -8.114 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.944 -7.998 -1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.866 -9.174 -2.465 1.00 0.00 H new ATOM 654 N ASN A 45 -5.142 -8.305 -5.199 1.00 0.00 N ATOM 655 CA ASN A 45 -4.739 -8.583 -6.567 1.00 0.00 C ATOM 656 C ASN A 45 -5.049 -7.368 -7.443 1.00 0.00 C ATOM 657 O ASN A 45 -4.496 -7.225 -8.532 1.00 0.00 O ATOM 658 CB ASN A 45 -5.503 -9.782 -7.134 1.00 0.00 C ATOM 659 CG ASN A 45 -4.553 -10.941 -7.443 1.00 0.00 C ATOM 660 OD1 ASN A 45 -3.653 -10.839 -8.261 1.00 0.00 O ATOM 661 ND2 ASN A 45 -4.803 -12.045 -6.745 1.00 0.00 N ATOM 0 H ASN A 45 -5.849 -8.939 -4.826 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.672 -8.804 -6.565 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.259 -10.107 -6.419 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.029 -9.486 -8.042 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.225 -12.875 -6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.573 -12.062 -6.076 1.00 0.00 H new ATOM 668 N LYS A 46 -5.933 -6.522 -6.934 1.00 0.00 N ATOM 669 CA LYS A 46 -6.324 -5.323 -7.656 1.00 0.00 C ATOM 670 C LYS A 46 -5.700 -4.100 -6.981 1.00 0.00 C ATOM 671 O LYS A 46 -6.343 -3.059 -6.859 1.00 0.00 O ATOM 672 CB LYS A 46 -7.846 -5.246 -7.783 1.00 0.00 C ATOM 673 CG LYS A 46 -8.388 -6.419 -8.602 1.00 0.00 C ATOM 674 CD LYS A 46 -8.907 -7.532 -7.690 1.00 0.00 C ATOM 675 CE LYS A 46 -9.961 -8.380 -8.404 1.00 0.00 C ATOM 676 NZ LYS A 46 -9.452 -9.750 -8.638 1.00 0.00 N ATOM 0 H LYS A 46 -6.390 -6.643 -6.030 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.944 -5.352 -8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.298 -5.251 -6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.128 -4.306 -8.257 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.191 -6.073 -9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.602 -6.810 -9.248 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.078 -8.166 -7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.336 -7.097 -6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.870 -8.421 -7.805 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.226 -7.917 -9.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.180 -10.312 -9.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.597 -9.707 -9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.221 -10.195 -7.727 1.00 0.00 H new ATOM 690 N ALA A 47 -4.455 -4.267 -6.559 1.00 0.00 N ATOM 691 CA ALA A 47 -3.738 -3.189 -5.899 1.00 0.00 C ATOM 692 C ALA A 47 -2.272 -3.214 -6.339 1.00 0.00 C ATOM 693 O ALA A 47 -1.739 -4.270 -6.677 1.00 0.00 O ATOM 694 CB ALA A 47 -3.894 -3.325 -4.384 1.00 0.00 C ATOM 0 H ALA A 47 -3.925 -5.132 -6.661 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.152 -2.222 -6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.356 -2.516 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.950 -3.273 -4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.487 -4.283 -4.061 1.00 0.00 H new ATOM 700 N SER A 48 -1.662 -2.038 -6.319 1.00 0.00 N ATOM 701 CA SER A 48 -0.268 -1.912 -6.711 1.00 0.00 C ATOM 702 C SER A 48 0.627 -1.918 -5.471 1.00 0.00 C ATOM 703 O SER A 48 1.769 -2.372 -5.527 1.00 0.00 O ATOM 704 CB SER A 48 -0.039 -0.637 -7.526 1.00 0.00 C ATOM 705 OG SER A 48 1.303 -0.538 -7.995 1.00 0.00 O ATOM 0 H SER A 48 -2.107 -1.164 -6.038 1.00 0.00 H new ATOM 0 HA SER A 48 -0.011 -2.764 -7.340 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.722 -0.622 -8.375 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.274 0.233 -6.912 1.00 0.00 H new ATOM 0 HG SER A 48 1.393 0.254 -8.565 1.00 0.00 H new ATOM 711 N LEU A 49 0.075 -1.408 -4.379 1.00 0.00 N ATOM 712 CA LEU A 49 0.809 -1.349 -3.127 1.00 0.00 C ATOM 713 C LEU A 49 -0.037 -1.972 -2.015 1.00 0.00 C ATOM 714 O LEU A 49 -1.254 -2.093 -2.149 1.00 0.00 O ATOM 715 CB LEU A 49 1.252 0.086 -2.833 1.00 0.00 C ATOM 716 CG LEU A 49 2.635 0.244 -2.199 1.00 0.00 C ATOM 717 CD1 LEU A 49 3.673 -0.614 -2.925 1.00 0.00 C ATOM 718 CD2 LEU A 49 3.047 1.716 -2.141 1.00 0.00 C ATOM 0 H LEU A 49 -0.872 -1.032 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 49 1.726 -1.934 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.236 0.649 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.516 0.544 -2.172 1.00 0.00 H new ATOM 0 HG LEU A 49 2.582 -0.116 -1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.647 -0.483 -2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.381 -1.663 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.731 -0.309 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.034 1.800 -1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.077 2.125 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.324 2.273 -1.545 1.00 0.00 H new ATOM 730 N CYS A 50 0.640 -2.350 -0.941 1.00 0.00 N ATOM 731 CA CYS A 50 -0.034 -2.957 0.194 1.00 0.00 C ATOM 732 C CYS A 50 0.527 -2.336 1.475 1.00 0.00 C ATOM 733 O CYS A 50 1.680 -2.573 1.830 1.00 0.00 O ATOM 734 CB CYS A 50 0.108 -4.480 0.189 1.00 0.00 C ATOM 735 SG CYS A 50 -0.804 -5.199 1.602 1.00 0.00 S ATOM 0 H CYS A 50 1.649 -2.248 -0.833 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.104 -2.758 0.133 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.276 -4.886 -0.747 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.161 -4.755 0.247 1.00 0.00 H new ATOM 0 HG CYS A 50 -0.355 -6.394 1.845 1.00 0.00 H new ATOM 741 N ILE A 51 -0.315 -1.552 2.133 1.00 0.00 N ATOM 742 CA ILE A 51 0.083 -0.896 3.367 1.00 0.00 C ATOM 743 C ILE A 51 -0.376 -1.738 4.559 1.00 0.00 C ATOM 744 O ILE A 51 -1.525 -1.637 4.988 1.00 0.00 O ATOM 745 CB ILE A 51 -0.431 0.545 3.397 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.094 1.340 2.199 1.00 0.00 C ATOM 747 CG2 ILE A 51 -0.092 1.221 4.726 1.00 0.00 C ATOM 748 CD1 ILE A 51 -0.228 2.828 2.345 1.00 0.00 C ATOM 0 H ILE A 51 -1.271 -1.357 1.835 1.00 0.00 H new ATOM 0 HA ILE A 51 1.169 -0.824 3.427 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.518 0.521 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.172 1.204 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.350 0.957 1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.469 2.244 4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.555 0.668 5.544 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.989 1.233 4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.156 3.370 1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.308 2.962 2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.238 3.214 3.252 1.00 0.00 H new ATOM 760 N SER A 52 0.544 -2.549 5.059 1.00 0.00 N ATOM 761 CA SER A 52 0.248 -3.407 6.193 1.00 0.00 C ATOM 762 C SER A 52 1.322 -3.242 7.270 1.00 0.00 C ATOM 763 O SER A 52 2.183 -2.370 7.164 1.00 0.00 O ATOM 764 CB SER A 52 0.148 -4.872 5.763 1.00 0.00 C ATOM 765 OG SER A 52 -0.734 -5.616 6.601 1.00 0.00 O ATOM 0 H SER A 52 1.495 -2.630 4.700 1.00 0.00 H new ATOM 0 HA SER A 52 -0.717 -3.110 6.604 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.202 -4.924 4.732 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.139 -5.325 5.787 1.00 0.00 H new ATOM 0 HG SER A 52 -1.125 -5.021 7.274 1.00 0.00 H new ATOM 771 N THR A 53 1.237 -4.094 8.281 1.00 0.00 N ATOM 772 CA THR A 53 2.192 -4.053 9.376 1.00 0.00 C ATOM 773 C THR A 53 3.046 -5.322 9.386 1.00 0.00 C ATOM 774 O THR A 53 2.645 -6.349 8.842 1.00 0.00 O ATOM 775 CB THR A 53 1.413 -3.835 10.675 1.00 0.00 C ATOM 776 OG1 THR A 53 0.439 -4.876 10.675 1.00 0.00 O ATOM 777 CG2 THR A 53 0.583 -2.549 10.651 1.00 0.00 C ATOM 0 H THR A 53 0.522 -4.817 8.365 1.00 0.00 H new ATOM 0 HA THR A 53 2.894 -3.227 9.258 1.00 0.00 H new ATOM 0 HB THR A 53 2.108 -3.803 11.514 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.110 -4.811 11.484 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.050 -2.442 11.596 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.242 -1.693 10.507 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.135 -2.595 9.833 1.00 0.00 H new ATOM 785 N LYS A 54 4.210 -5.209 10.010 1.00 0.00 N ATOM 786 CA LYS A 54 5.124 -6.334 10.098 1.00 0.00 C ATOM 787 C LYS A 54 4.367 -7.563 10.606 1.00 0.00 C ATOM 788 O LYS A 54 4.437 -8.632 10.003 1.00 0.00 O ATOM 789 CB LYS A 54 6.344 -5.968 10.947 1.00 0.00 C ATOM 790 CG LYS A 54 7.217 -7.197 11.210 1.00 0.00 C ATOM 791 CD LYS A 54 7.975 -7.611 9.948 1.00 0.00 C ATOM 792 CE LYS A 54 9.132 -6.651 9.663 1.00 0.00 C ATOM 793 NZ LYS A 54 8.865 -5.869 8.435 1.00 0.00 N ATOM 0 H LYS A 54 4.540 -4.355 10.459 1.00 0.00 H new ATOM 0 HA LYS A 54 5.514 -6.585 9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.930 -5.203 10.437 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.017 -5.540 11.895 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.926 -6.980 12.009 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.594 -8.024 11.552 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.359 -8.624 10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.293 -7.626 9.098 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.270 -5.977 10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.059 -7.213 9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.652 -5.210 8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.773 -6.515 7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.982 -5.331 8.551 1.00 0.00 H new ATOM 807 N LYS A 55 3.662 -7.368 11.710 1.00 0.00 N ATOM 808 CA LYS A 55 2.892 -8.447 12.306 1.00 0.00 C ATOM 809 C LYS A 55 2.086 -9.156 11.216 1.00 0.00 C ATOM 810 O LYS A 55 2.254 -10.354 10.994 1.00 0.00 O ATOM 811 CB LYS A 55 2.036 -7.921 13.460 1.00 0.00 C ATOM 812 CG LYS A 55 2.737 -8.134 14.804 1.00 0.00 C ATOM 813 CD LYS A 55 2.123 -7.246 15.888 1.00 0.00 C ATOM 814 CE LYS A 55 2.806 -7.479 17.238 1.00 0.00 C ATOM 815 NZ LYS A 55 2.429 -6.418 18.199 1.00 0.00 N ATOM 0 H LYS A 55 3.607 -6.479 12.208 1.00 0.00 H new ATOM 0 HA LYS A 55 3.557 -9.191 12.746 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.836 -6.860 13.314 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.072 -8.430 13.464 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.658 -9.181 15.098 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.799 -7.911 14.704 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.220 -6.198 15.603 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.057 -7.456 15.975 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.521 -8.454 17.633 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.888 -7.492 17.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.901 -6.591 19.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.723 -5.492 17.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.398 -6.424 18.336 1.00 0.00 H new ATOM 829 N GLU A 56 1.228 -8.385 10.564 1.00 0.00 N ATOM 830 CA GLU A 56 0.396 -8.924 9.502 1.00 0.00 C ATOM 831 C GLU A 56 1.232 -9.794 8.561 1.00 0.00 C ATOM 832 O GLU A 56 0.981 -10.991 8.429 1.00 0.00 O ATOM 833 CB GLU A 56 -0.306 -7.803 8.733 1.00 0.00 C ATOM 834 CG GLU A 56 -1.815 -7.826 8.985 1.00 0.00 C ATOM 835 CD GLU A 56 -2.121 -7.766 10.483 1.00 0.00 C ATOM 836 OE1 GLU A 56 -1.188 -7.423 11.240 1.00 0.00 O ATOM 837 OE2 GLU A 56 -3.282 -8.066 10.837 1.00 0.00 O ATOM 0 H GLU A 56 1.091 -7.392 10.751 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.375 -9.549 9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.102 -6.839 9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.110 -7.911 7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.285 -6.982 8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.245 -8.732 8.558 1.00 0.00 H new ATOM 844 N VAL A 57 2.209 -9.158 7.931 1.00 0.00 N ATOM 845 CA VAL A 57 3.084 -9.859 7.007 1.00 0.00 C ATOM 846 C VAL A 57 3.595 -11.141 7.668 1.00 0.00 C ATOM 847 O VAL A 57 3.779 -12.157 6.999 1.00 0.00 O ATOM 848 CB VAL A 57 4.212 -8.932 6.548 1.00 0.00 C ATOM 849 CG1 VAL A 57 5.052 -9.591 5.453 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.658 -7.586 6.079 1.00 0.00 C ATOM 0 H VAL A 57 2.414 -8.165 8.042 1.00 0.00 H new ATOM 0 HA VAL A 57 2.537 -10.151 6.111 1.00 0.00 H new ATOM 0 HB VAL A 57 4.863 -8.747 7.403 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.846 -8.911 5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.491 -10.512 5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.418 -9.820 4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.480 -6.946 5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.975 -7.745 5.245 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.124 -7.107 6.899 1.00 0.00 H new ATOM 860 N GLU A 58 3.810 -11.051 8.972 1.00 0.00 N ATOM 861 CA GLU A 58 4.297 -12.191 9.730 1.00 0.00 C ATOM 862 C GLU A 58 3.180 -13.219 9.919 1.00 0.00 C ATOM 863 O GLU A 58 3.444 -14.415 10.035 1.00 0.00 O ATOM 864 CB GLU A 58 4.868 -11.749 11.079 1.00 0.00 C ATOM 865 CG GLU A 58 6.366 -11.458 10.971 1.00 0.00 C ATOM 866 CD GLU A 58 7.090 -11.821 12.269 1.00 0.00 C ATOM 867 OE1 GLU A 58 6.545 -12.673 13.004 1.00 0.00 O ATOM 868 OE2 GLU A 58 8.173 -11.239 12.497 1.00 0.00 O ATOM 0 H GLU A 58 3.656 -10.207 9.523 1.00 0.00 H new ATOM 0 HA GLU A 58 5.104 -12.659 9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.345 -10.858 11.425 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.698 -12.527 11.823 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.791 -12.024 10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.520 -10.402 10.748 1.00 0.00 H new ATOM 875 N LYS A 59 1.954 -12.716 9.943 1.00 0.00 N ATOM 876 CA LYS A 59 0.795 -13.576 10.115 1.00 0.00 C ATOM 877 C LYS A 59 0.504 -14.301 8.800 1.00 0.00 C ATOM 878 O LYS A 59 0.136 -15.475 8.803 1.00 0.00 O ATOM 879 CB LYS A 59 -0.392 -12.774 10.651 1.00 0.00 C ATOM 880 CG LYS A 59 -1.573 -12.827 9.680 1.00 0.00 C ATOM 881 CD LYS A 59 -2.836 -12.247 10.320 1.00 0.00 C ATOM 882 CE LYS A 59 -3.047 -10.792 9.896 1.00 0.00 C ATOM 883 NZ LYS A 59 -4.467 -10.406 10.060 1.00 0.00 N ATOM 0 H LYS A 59 1.738 -11.724 9.846 1.00 0.00 H new ATOM 0 HA LYS A 59 0.996 -14.342 10.864 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.695 -13.170 11.620 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.093 -11.738 10.810 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.330 -12.269 8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.755 -13.859 9.379 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.701 -12.843 10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.758 -12.305 11.406 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.414 -10.137 10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.746 -10.662 8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.524 -9.415 10.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.963 -10.514 9.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.913 -11.018 10.773 1.00 0.00 H new ATOM 897 N MET A 60 0.680 -13.572 7.708 1.00 0.00 N ATOM 898 CA MET A 60 0.440 -14.132 6.388 1.00 0.00 C ATOM 899 C MET A 60 -0.993 -14.654 6.266 1.00 0.00 C ATOM 900 O MET A 60 -1.207 -15.812 5.912 1.00 0.00 O ATOM 901 CB MET A 60 1.424 -15.275 6.132 1.00 0.00 C ATOM 902 CG MET A 60 2.687 -14.765 5.435 1.00 0.00 C ATOM 903 SD MET A 60 2.467 -14.810 3.664 1.00 0.00 S ATOM 904 CE MET A 60 2.110 -13.089 3.352 1.00 0.00 C ATOM 0 H MET A 60 0.986 -12.599 7.710 1.00 0.00 H new ATOM 0 HA MET A 60 0.584 -13.345 5.648 1.00 0.00 H new ATOM 0 HB2 MET A 60 1.692 -15.748 7.077 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.948 -16.039 5.517 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.904 -13.747 5.757 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.542 -15.378 5.719 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.410 -12.834 2.336 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.041 -12.912 3.470 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.661 -12.469 4.060 1.00 0.00 H new ATOM 914 N ASN A 61 -1.937 -13.775 6.566 1.00 0.00 N ATOM 915 CA ASN A 61 -3.343 -14.133 6.495 1.00 0.00 C ATOM 916 C ASN A 61 -3.772 -14.207 5.028 1.00 0.00 C ATOM 917 O ASN A 61 -2.993 -13.885 4.132 1.00 0.00 O ATOM 918 CB ASN A 61 -4.215 -13.084 7.189 1.00 0.00 C ATOM 919 CG ASN A 61 -5.539 -13.693 7.656 1.00 0.00 C ATOM 920 OD1 ASN A 61 -5.588 -14.532 8.540 1.00 0.00 O ATOM 921 ND2 ASN A 61 -6.605 -13.225 7.014 1.00 0.00 N ATOM 0 H ASN A 61 -1.756 -12.815 6.859 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.471 -15.095 6.992 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.680 -12.669 8.043 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.412 -12.259 6.504 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.535 -13.569 7.252 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.492 -12.522 6.283 1.00 0.00 H new ATOM 928 N LYS A 62 -5.010 -14.635 4.827 1.00 0.00 N ATOM 929 CA LYS A 62 -5.551 -14.756 3.484 1.00 0.00 C ATOM 930 C LYS A 62 -5.373 -13.428 2.746 1.00 0.00 C ATOM 931 O LYS A 62 -4.980 -13.410 1.580 1.00 0.00 O ATOM 932 CB LYS A 62 -7.001 -15.242 3.533 1.00 0.00 C ATOM 933 CG LYS A 62 -7.732 -14.920 2.228 1.00 0.00 C ATOM 934 CD LYS A 62 -7.205 -15.779 1.077 1.00 0.00 C ATOM 935 CE LYS A 62 -8.342 -16.206 0.147 1.00 0.00 C ATOM 936 NZ LYS A 62 -7.879 -16.233 -1.259 1.00 0.00 N ATOM 0 H LYS A 62 -5.654 -14.902 5.572 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.004 -15.511 2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.022 -16.317 3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.518 -14.771 4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.801 -15.091 2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.605 -13.865 1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.459 -15.219 0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.706 -16.662 1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.705 -17.192 0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.180 -15.516 0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.663 -16.525 -1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.554 -15.285 -1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.094 -16.909 -1.353 1.00 0.00 H new ATOM 950 N LYS A 63 -5.671 -12.348 3.454 1.00 0.00 N ATOM 951 CA LYS A 63 -5.549 -11.019 2.880 1.00 0.00 C ATOM 952 C LYS A 63 -4.121 -10.818 2.370 1.00 0.00 C ATOM 953 O LYS A 63 -3.913 -10.521 1.195 1.00 0.00 O ATOM 954 CB LYS A 63 -5.998 -9.958 3.886 1.00 0.00 C ATOM 955 CG LYS A 63 -7.523 -9.838 3.912 1.00 0.00 C ATOM 956 CD LYS A 63 -7.996 -8.661 3.057 1.00 0.00 C ATOM 957 CE LYS A 63 -9.300 -8.075 3.602 1.00 0.00 C ATOM 958 NZ LYS A 63 -9.949 -7.219 2.584 1.00 0.00 N ATOM 0 H LYS A 63 -5.997 -12.367 4.420 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.212 -10.912 2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.633 -10.217 4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.558 -8.995 3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.970 -10.762 3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.863 -9.706 4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.227 -7.889 3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.143 -8.990 2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.975 -8.881 3.892 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.096 -7.492 4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.833 -6.829 2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.310 -6.440 2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.161 -7.786 1.738 1.00 0.00 H new ATOM 972 N MET A 64 -3.172 -10.988 3.280 1.00 0.00 N ATOM 973 CA MET A 64 -1.769 -10.829 2.937 1.00 0.00 C ATOM 974 C MET A 64 -1.342 -11.856 1.887 1.00 0.00 C ATOM 975 O MET A 64 -0.325 -11.678 1.217 1.00 0.00 O ATOM 976 CB MET A 64 -0.914 -10.998 4.195 1.00 0.00 C ATOM 977 CG MET A 64 0.516 -10.509 3.955 1.00 0.00 C ATOM 978 SD MET A 64 0.520 -8.746 3.674 1.00 0.00 S ATOM 979 CE MET A 64 0.028 -8.174 5.292 1.00 0.00 C ATOM 0 H MET A 64 -3.348 -11.234 4.254 1.00 0.00 H new ATOM 0 HA MET A 64 -1.626 -9.832 2.521 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.359 -10.441 5.019 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.899 -12.047 4.491 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.141 -10.750 4.815 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.945 -11.023 3.095 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.881 -7.579 5.207 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.159 -9.031 5.940 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.823 -7.563 5.719 1.00 0.00 H new ATOM 989 N GLU A 65 -2.139 -12.908 1.775 1.00 0.00 N ATOM 990 CA GLU A 65 -1.855 -13.963 0.818 1.00 0.00 C ATOM 991 C GLU A 65 -2.264 -13.526 -0.590 1.00 0.00 C ATOM 992 O GLU A 65 -1.669 -13.959 -1.576 1.00 0.00 O ATOM 993 CB GLU A 65 -2.556 -15.265 1.213 1.00 0.00 C ATOM 994 CG GLU A 65 -1.714 -16.060 2.212 1.00 0.00 C ATOM 995 CD GLU A 65 -1.352 -17.437 1.651 1.00 0.00 C ATOM 996 OE1 GLU A 65 -0.359 -17.498 0.894 1.00 0.00 O ATOM 997 OE2 GLU A 65 -2.078 -18.397 1.991 1.00 0.00 O ATOM 0 H GLU A 65 -2.982 -13.052 2.331 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.781 -14.151 0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.529 -15.040 1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.738 -15.869 0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.804 -15.508 2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.265 -16.177 3.145 1.00 0.00 H new ATOM 1004 N GLU A 66 -3.276 -12.673 -0.640 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.771 -12.172 -1.912 1.00 0.00 C ATOM 1006 C GLU A 66 -2.745 -11.233 -2.548 1.00 0.00 C ATOM 1007 O GLU A 66 -2.725 -11.063 -3.766 1.00 0.00 O ATOM 1008 CB GLU A 66 -5.121 -11.473 -1.737 1.00 0.00 C ATOM 1009 CG GLU A 66 -6.195 -12.460 -1.277 1.00 0.00 C ATOM 1010 CD GLU A 66 -7.199 -12.740 -2.398 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -6.798 -13.433 -3.358 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -8.343 -12.255 -2.269 1.00 0.00 O ATOM 0 H GLU A 66 -3.767 -12.316 0.179 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.922 -13.019 -2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.026 -10.668 -1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.422 -11.016 -2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.726 -13.392 -0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.717 -12.057 -0.409 1.00 0.00 H new ATOM 1019 N VAL A 67 -1.916 -10.648 -1.695 1.00 0.00 N ATOM 1020 CA VAL A 67 -0.890 -9.731 -2.159 1.00 0.00 C ATOM 1021 C VAL A 67 0.403 -10.507 -2.419 1.00 0.00 C ATOM 1022 O VAL A 67 1.225 -10.095 -3.235 1.00 0.00 O ATOM 1023 CB VAL A 67 -0.711 -8.593 -1.152 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -1.520 -8.855 0.121 1.00 0.00 C ATOM 1025 CG2 VAL A 67 0.768 -8.376 -0.826 1.00 0.00 C ATOM 0 H VAL A 67 -1.935 -10.792 -0.685 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.188 -9.271 -3.101 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.091 -7.679 -1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.375 -8.031 0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.578 -8.936 -0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.184 -9.784 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.867 -7.562 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.184 -9.288 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.308 -8.123 -1.738 1.00 0.00 H new ATOM 1035 N LYS A 68 0.541 -11.617 -1.709 1.00 0.00 N ATOM 1036 CA LYS A 68 1.720 -12.455 -1.852 1.00 0.00 C ATOM 1037 C LYS A 68 1.669 -13.172 -3.203 1.00 0.00 C ATOM 1038 O LYS A 68 2.695 -13.620 -3.711 1.00 0.00 O ATOM 1039 CB LYS A 68 1.852 -13.402 -0.658 1.00 0.00 C ATOM 1040 CG LYS A 68 3.134 -14.233 -0.757 1.00 0.00 C ATOM 1041 CD LYS A 68 3.684 -14.560 0.633 1.00 0.00 C ATOM 1042 CE LYS A 68 5.057 -15.227 0.537 1.00 0.00 C ATOM 1043 NZ LYS A 68 4.957 -16.515 -0.187 1.00 0.00 N ATOM 0 H LYS A 68 -0.144 -11.956 -1.033 1.00 0.00 H new ATOM 0 HA LYS A 68 2.624 -11.846 -1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.857 -12.827 0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.987 -14.064 -0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.932 -15.157 -1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.883 -13.686 -1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.760 -13.646 1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.991 -15.219 1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.754 -14.566 0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.457 -15.395 1.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.854 -17.034 -0.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.187 -17.083 0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.760 -16.334 -1.192 1.00 0.00 H new ATOM 1057 N GLU A 69 0.463 -13.259 -3.746 1.00 0.00 N ATOM 1058 CA GLU A 69 0.265 -13.914 -5.028 1.00 0.00 C ATOM 1059 C GLU A 69 0.525 -12.931 -6.172 1.00 0.00 C ATOM 1060 O GLU A 69 1.142 -13.289 -7.174 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.140 -14.511 -5.127 1.00 0.00 C ATOM 1062 CG GLU A 69 -1.503 -15.274 -3.851 1.00 0.00 C ATOM 1063 CD GLU A 69 -1.742 -16.755 -4.148 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -0.864 -17.351 -4.809 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -2.798 -17.259 -3.706 1.00 0.00 O ATOM 0 H GLU A 69 -0.386 -12.887 -3.321 1.00 0.00 H new ATOM 0 HA GLU A 69 0.979 -14.733 -5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.866 -13.716 -5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.194 -15.182 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.701 -15.171 -3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.398 -14.840 -3.405 1.00 0.00 H new ATOM 1072 N ALA A 70 0.041 -11.712 -5.984 1.00 0.00 N ATOM 1073 CA ALA A 70 0.214 -10.675 -6.987 1.00 0.00 C ATOM 1074 C ALA A 70 1.563 -9.986 -6.775 1.00 0.00 C ATOM 1075 O ALA A 70 1.843 -8.960 -7.393 1.00 0.00 O ATOM 1076 CB ALA A 70 -0.960 -9.696 -6.916 1.00 0.00 C ATOM 0 H ALA A 70 -0.471 -11.419 -5.152 1.00 0.00 H new ATOM 0 HA ALA A 70 0.219 -11.106 -7.988 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.831 -8.918 -7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.891 -10.231 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.995 -9.241 -5.926 1.00 0.00 H new ATOM 1082 N ASN A 71 2.362 -10.576 -5.898 1.00 0.00 N ATOM 1083 CA ASN A 71 3.674 -10.031 -5.597 1.00 0.00 C ATOM 1084 C ASN A 71 3.566 -8.513 -5.433 1.00 0.00 C ATOM 1085 O ASN A 71 4.189 -7.759 -6.179 1.00 0.00 O ATOM 1086 CB ASN A 71 4.662 -10.314 -6.730 1.00 0.00 C ATOM 1087 CG ASN A 71 6.065 -10.581 -6.181 1.00 0.00 C ATOM 1088 OD1 ASN A 71 6.257 -10.877 -5.013 1.00 0.00 O ATOM 1089 ND2 ASN A 71 7.032 -10.460 -7.086 1.00 0.00 N ATOM 0 H ASN A 71 2.126 -11.426 -5.386 1.00 0.00 H new ATOM 0 HA ASN A 71 4.032 -10.501 -4.681 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.323 -11.175 -7.306 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.690 -9.465 -7.413 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.004 -10.618 -6.818 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.802 -10.209 -8.048 1.00 0.00 H new ATOM 1096 N ILE A 72 2.772 -8.112 -4.451 1.00 0.00 N ATOM 1097 CA ILE A 72 2.575 -6.698 -4.180 1.00 0.00 C ATOM 1098 C ILE A 72 3.364 -6.309 -2.928 1.00 0.00 C ATOM 1099 O ILE A 72 2.956 -6.621 -1.810 1.00 0.00 O ATOM 1100 CB ILE A 72 1.082 -6.373 -4.092 1.00 0.00 C ATOM 1101 CG1 ILE A 72 0.332 -6.904 -5.315 1.00 0.00 C ATOM 1102 CG2 ILE A 72 0.859 -4.872 -3.890 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.175 -6.681 -5.174 1.00 0.00 C ATOM 0 H ILE A 72 2.258 -8.741 -3.834 1.00 0.00 H new ATOM 0 HA ILE A 72 2.961 -6.094 -5.001 1.00 0.00 H new ATOM 0 HB ILE A 72 0.673 -6.880 -3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.695 -6.405 -6.213 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.536 -7.968 -5.437 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.210 -4.668 -3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.341 -4.554 -2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.287 -4.324 -4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.684 -7.068 -6.057 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.539 -7.202 -4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.377 -5.614 -5.076 1.00 0.00 H new ATOM 1115 N ARG A 73 4.479 -5.632 -3.157 1.00 0.00 N ATOM 1116 CA ARG A 73 5.329 -5.196 -2.062 1.00 0.00 C ATOM 1117 C ARG A 73 4.483 -4.576 -0.948 1.00 0.00 C ATOM 1118 O ARG A 73 3.631 -3.728 -1.210 1.00 0.00 O ATOM 1119 CB ARG A 73 6.361 -4.173 -2.539 1.00 0.00 C ATOM 1120 CG ARG A 73 5.699 -2.828 -2.846 1.00 0.00 C ATOM 1121 CD ARG A 73 6.654 -1.909 -3.612 1.00 0.00 C ATOM 1122 NE ARG A 73 5.969 -1.340 -4.794 1.00 0.00 N ATOM 1123 CZ ARG A 73 5.883 -1.955 -5.981 1.00 0.00 C ATOM 1124 NH1 ARG A 73 6.439 -3.163 -6.151 1.00 0.00 N ATOM 1125 NH2 ARG A 73 5.242 -1.363 -6.998 1.00 0.00 N ATOM 0 H ARG A 73 4.814 -5.374 -4.085 1.00 0.00 H new ATOM 0 HA ARG A 73 5.853 -6.072 -1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.126 -4.040 -1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.864 -4.547 -3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.795 -2.989 -3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.394 -2.348 -1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.000 -1.107 -2.961 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.536 -2.468 -3.926 1.00 0.00 H new ATOM 0 HE ARG A 73 5.535 -0.422 -4.699 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.927 -3.613 -5.377 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.374 -3.632 -7.055 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.819 -0.444 -6.868 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.177 -1.832 -7.902 1.00 0.00 H new ATOM 1139 N VAL A 74 4.748 -5.023 0.271 1.00 0.00 N ATOM 1140 CA VAL A 74 4.021 -4.522 1.425 1.00 0.00 C ATOM 1141 C VAL A 74 4.878 -3.481 2.149 1.00 0.00 C ATOM 1142 O VAL A 74 6.038 -3.739 2.466 1.00 0.00 O ATOM 1143 CB VAL A 74 3.606 -5.686 2.327 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.577 -5.235 3.366 1.00 0.00 C ATOM 1145 CG2 VAL A 74 3.072 -6.857 1.500 1.00 0.00 C ATOM 0 H VAL A 74 5.456 -5.726 0.484 1.00 0.00 H new ATOM 0 HA VAL A 74 3.102 -4.026 1.112 1.00 0.00 H new ATOM 0 HB VAL A 74 4.493 -6.029 2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.299 -6.081 3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.007 -4.449 3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.691 -4.853 2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.784 -7.671 2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.203 -6.532 0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.848 -7.204 0.817 1.00 0.00 H new ATOM 1155 N VAL A 75 4.273 -2.327 2.390 1.00 0.00 N ATOM 1156 CA VAL A 75 4.965 -1.247 3.070 1.00 0.00 C ATOM 1157 C VAL A 75 4.155 -0.818 4.295 1.00 0.00 C ATOM 1158 O VAL A 75 3.027 -1.270 4.486 1.00 0.00 O ATOM 1159 CB VAL A 75 5.228 -0.097 2.095 1.00 0.00 C ATOM 1160 CG1 VAL A 75 6.137 -0.546 0.950 1.00 0.00 C ATOM 1161 CG2 VAL A 75 3.915 0.478 1.560 1.00 0.00 C ATOM 0 H VAL A 75 3.310 -2.117 2.126 1.00 0.00 H new ATOM 0 HA VAL A 75 5.939 -1.583 3.426 1.00 0.00 H new ATOM 0 HB VAL A 75 5.743 0.694 2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.308 0.290 0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.090 -0.886 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.661 -1.363 0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.130 1.294 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.362 -0.303 1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.317 0.854 2.390 1.00 0.00 H new ATOM 1171 N SER A 76 4.761 0.048 5.093 1.00 0.00 N ATOM 1172 CA SER A 76 4.110 0.543 6.294 1.00 0.00 C ATOM 1173 C SER A 76 3.401 1.866 5.998 1.00 0.00 C ATOM 1174 O SER A 76 3.476 2.378 4.882 1.00 0.00 O ATOM 1175 CB SER A 76 5.116 0.723 7.432 1.00 0.00 C ATOM 1176 OG SER A 76 4.534 0.458 8.706 1.00 0.00 O ATOM 0 H SER A 76 5.697 0.420 4.931 1.00 0.00 H new ATOM 0 HA SER A 76 3.372 -0.194 6.611 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.964 0.056 7.275 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.504 1.742 7.415 1.00 0.00 H new ATOM 0 HG SER A 76 5.209 0.582 9.406 1.00 0.00 H new ATOM 1182 N GLU A 77 2.729 2.382 7.017 1.00 0.00 N ATOM 1183 CA GLU A 77 2.008 3.635 6.880 1.00 0.00 C ATOM 1184 C GLU A 77 2.989 4.806 6.800 1.00 0.00 C ATOM 1185 O GLU A 77 2.609 5.914 6.424 1.00 0.00 O ATOM 1186 CB GLU A 77 1.018 3.827 8.031 1.00 0.00 C ATOM 1187 CG GLU A 77 -0.333 4.326 7.515 1.00 0.00 C ATOM 1188 CD GLU A 77 -0.759 5.604 8.239 1.00 0.00 C ATOM 1189 OE1 GLU A 77 -0.510 5.673 9.462 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -1.323 6.484 7.553 1.00 0.00 O ATOM 0 H GLU A 77 2.669 1.954 7.941 1.00 0.00 H new ATOM 0 HA GLU A 77 1.435 3.602 5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.883 2.884 8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.423 4.540 8.749 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.270 4.515 6.443 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.089 3.554 7.658 1.00 0.00 H new ATOM 1197 N ASP A 78 4.232 4.521 7.160 1.00 0.00 N ATOM 1198 CA ASP A 78 5.270 5.537 7.134 1.00 0.00 C ATOM 1199 C ASP A 78 5.612 5.873 5.681 1.00 0.00 C ATOM 1200 O ASP A 78 6.214 6.910 5.405 1.00 0.00 O ATOM 1201 CB ASP A 78 6.546 5.038 7.816 1.00 0.00 C ATOM 1202 CG ASP A 78 6.452 4.894 9.336 1.00 0.00 C ATOM 1203 OD1 ASP A 78 6.462 5.948 10.008 1.00 0.00 O ATOM 1204 OD2 ASP A 78 6.372 3.733 9.792 1.00 0.00 O ATOM 0 H ASP A 78 4.543 3.601 7.471 1.00 0.00 H new ATOM 0 HA ASP A 78 4.897 6.414 7.663 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.813 4.071 7.390 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.359 5.725 7.581 1.00 0.00 H new ATOM 1209 N PHE A 79 5.212 4.978 4.790 1.00 0.00 N ATOM 1210 CA PHE A 79 5.469 5.167 3.372 1.00 0.00 C ATOM 1211 C PHE A 79 4.710 6.382 2.835 1.00 0.00 C ATOM 1212 O PHE A 79 5.252 7.159 2.050 1.00 0.00 O ATOM 1213 CB PHE A 79 4.968 3.911 2.656 1.00 0.00 C ATOM 1214 CG PHE A 79 4.673 4.119 1.169 1.00 0.00 C ATOM 1215 CD1 PHE A 79 5.697 4.270 0.287 1.00 0.00 C ATOM 1216 CD2 PHE A 79 3.386 4.153 0.729 1.00 0.00 C ATOM 1217 CE1 PHE A 79 5.423 4.463 -1.093 1.00 0.00 C ATOM 1218 CE2 PHE A 79 3.112 4.345 -0.650 1.00 0.00 C ATOM 1219 CZ PHE A 79 4.136 4.497 -1.533 1.00 0.00 C ATOM 0 H PHE A 79 4.712 4.120 5.022 1.00 0.00 H new ATOM 0 HA PHE A 79 6.533 5.334 3.205 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.714 3.123 2.761 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.062 3.560 3.150 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.719 4.243 0.636 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.573 4.034 1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.236 4.583 -1.793 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.090 4.370 -0.999 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.927 4.645 -2.582 1.00 0.00 H new ATOM 1229 N LEU A 80 3.469 6.509 3.280 1.00 0.00 N ATOM 1230 CA LEU A 80 2.631 7.617 2.854 1.00 0.00 C ATOM 1231 C LEU A 80 3.231 8.930 3.361 1.00 0.00 C ATOM 1232 O LEU A 80 3.251 9.927 2.641 1.00 0.00 O ATOM 1233 CB LEU A 80 1.182 7.393 3.293 1.00 0.00 C ATOM 1234 CG LEU A 80 0.440 6.250 2.598 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.777 5.810 3.415 1.00 0.00 C ATOM 1236 CD2 LEU A 80 0.061 6.632 1.166 1.00 0.00 C ATOM 0 H LEU A 80 3.023 5.863 3.931 1.00 0.00 H new ATOM 0 HA LEU A 80 2.605 7.678 1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.173 7.206 4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.626 8.315 3.126 1.00 0.00 H new ATOM 0 HG LEU A 80 1.113 5.395 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.287 4.996 2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.451 5.469 4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.461 6.651 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.465 5.802 0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.586 7.509 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.964 6.858 0.599 1.00 0.00 H new ATOM 1248 N GLN A 81 3.706 8.887 4.597 1.00 0.00 N ATOM 1249 CA GLN A 81 4.305 10.061 5.210 1.00 0.00 C ATOM 1250 C GLN A 81 5.543 10.496 4.423 1.00 0.00 C ATOM 1251 O GLN A 81 5.866 11.682 4.372 1.00 0.00 O ATOM 1252 CB GLN A 81 4.651 9.798 6.676 1.00 0.00 C ATOM 1253 CG GLN A 81 5.728 10.768 7.168 1.00 0.00 C ATOM 1254 CD GLN A 81 5.225 12.212 7.126 1.00 0.00 C ATOM 1255 OE1 GLN A 81 4.076 12.505 7.413 1.00 0.00 O ATOM 1256 NE2 GLN A 81 6.147 13.095 6.753 1.00 0.00 N ATOM 0 H GLN A 81 3.688 8.058 5.191 1.00 0.00 H new ATOM 0 HA GLN A 81 3.578 10.872 5.184 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.756 9.902 7.289 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.000 8.772 6.793 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.018 10.509 8.187 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.620 10.672 6.549 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.091 12.782 6.526 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.910 14.085 6.693 1.00 0.00 H new ATOM 1265 N ASP A 82 6.203 9.513 3.829 1.00 0.00 N ATOM 1266 CA ASP A 82 7.399 9.779 3.048 1.00 0.00 C ATOM 1267 C ASP A 82 7.000 10.099 1.606 1.00 0.00 C ATOM 1268 O ASP A 82 7.367 11.146 1.075 1.00 0.00 O ATOM 1269 CB ASP A 82 8.323 8.560 3.023 1.00 0.00 C ATOM 1270 CG ASP A 82 9.607 8.705 3.843 1.00 0.00 C ATOM 1271 OD1 ASP A 82 9.499 8.618 5.086 1.00 0.00 O ATOM 1272 OD2 ASP A 82 10.667 8.899 3.210 1.00 0.00 O ATOM 0 H ASP A 82 5.932 8.531 3.873 1.00 0.00 H new ATOM 0 HA ASP A 82 7.922 10.618 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.770 7.696 3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.592 8.348 1.988 1.00 0.00 H new ATOM 1277 N VAL A 83 6.253 9.179 1.014 1.00 0.00 N ATOM 1278 CA VAL A 83 5.801 9.350 -0.356 1.00 0.00 C ATOM 1279 C VAL A 83 5.128 10.717 -0.499 1.00 0.00 C ATOM 1280 O VAL A 83 5.130 11.303 -1.580 1.00 0.00 O ATOM 1281 CB VAL A 83 4.887 8.189 -0.754 1.00 0.00 C ATOM 1282 CG1 VAL A 83 3.421 8.520 -0.463 1.00 0.00 C ATOM 1283 CG2 VAL A 83 5.083 7.817 -2.225 1.00 0.00 C ATOM 0 H VAL A 83 5.949 8.312 1.458 1.00 0.00 H new ATOM 0 HA VAL A 83 6.647 9.330 -1.043 1.00 0.00 H new ATOM 0 HB VAL A 83 5.161 7.324 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.793 7.678 -0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.296 8.713 0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.128 9.404 -1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.422 6.989 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.849 8.677 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.118 7.519 -2.390 1.00 0.00 H new ATOM 1293 N SER A 84 4.569 11.185 0.608 1.00 0.00 N ATOM 1294 CA SER A 84 3.895 12.471 0.619 1.00 0.00 C ATOM 1295 C SER A 84 4.879 13.575 1.011 1.00 0.00 C ATOM 1296 O SER A 84 4.747 14.715 0.570 1.00 0.00 O ATOM 1297 CB SER A 84 2.702 12.459 1.577 1.00 0.00 C ATOM 1298 OG SER A 84 1.847 13.582 1.379 1.00 0.00 O ATOM 0 H SER A 84 4.570 10.696 1.503 1.00 0.00 H new ATOM 0 HA SER A 84 3.519 12.668 -0.385 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.133 11.540 1.435 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.063 12.455 2.605 1.00 0.00 H new ATOM 0 HG SER A 84 1.097 13.537 2.008 1.00 0.00 H new ATOM 1304 N ALA A 85 5.844 13.197 1.837 1.00 0.00 N ATOM 1305 CA ALA A 85 6.851 14.140 2.293 1.00 0.00 C ATOM 1306 C ALA A 85 8.242 13.555 2.045 1.00 0.00 C ATOM 1307 O ALA A 85 9.002 13.330 2.985 1.00 0.00 O ATOM 1308 CB ALA A 85 6.611 14.467 3.769 1.00 0.00 C ATOM 0 H ALA A 85 5.950 12.250 2.202 1.00 0.00 H new ATOM 0 HA ALA A 85 6.783 15.074 1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.366 15.174 4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.621 14.907 3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.675 13.553 4.359 1.00 0.00 H new ATOM 1314 N SER A 86 8.534 13.326 0.773 1.00 0.00 N ATOM 1315 CA SER A 86 9.821 12.771 0.388 1.00 0.00 C ATOM 1316 C SER A 86 9.964 12.789 -1.135 1.00 0.00 C ATOM 1317 O SER A 86 9.130 12.232 -1.847 1.00 0.00 O ATOM 1318 CB SER A 86 9.988 11.347 0.921 1.00 0.00 C ATOM 1319 OG SER A 86 11.360 10.976 1.033 1.00 0.00 O ATOM 0 H SER A 86 7.901 13.515 -0.004 1.00 0.00 H new ATOM 0 HA SER A 86 10.605 13.388 0.827 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.510 11.267 1.897 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.477 10.649 0.258 1.00 0.00 H new ATOM 0 HG SER A 86 11.453 10.263 1.699 1.00 0.00 H new ATOM 1325 N THR A 87 11.028 13.434 -1.590 1.00 0.00 N ATOM 1326 CA THR A 87 11.291 13.531 -3.016 1.00 0.00 C ATOM 1327 C THR A 87 12.153 12.355 -3.480 1.00 0.00 C ATOM 1328 O THR A 87 13.108 12.540 -4.233 1.00 0.00 O ATOM 1329 CB THR A 87 11.929 14.896 -3.287 1.00 0.00 C ATOM 1330 OG1 THR A 87 13.078 14.915 -2.445 1.00 0.00 O ATOM 1331 CG2 THR A 87 11.072 16.055 -2.774 1.00 0.00 C ATOM 0 H THR A 87 11.718 13.895 -0.997 1.00 0.00 H new ATOM 0 HA THR A 87 10.369 13.466 -3.594 1.00 0.00 H new ATOM 0 HB THR A 87 12.094 15.013 -4.358 1.00 0.00 H new ATOM 0 HG1 THR A 87 13.553 15.765 -2.559 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.570 17.000 -2.992 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.100 16.035 -3.267 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.934 15.957 -1.697 1.00 0.00 H new ATOM 1339 N LYS A 88 11.783 11.172 -3.013 1.00 0.00 N ATOM 1340 CA LYS A 88 12.510 9.966 -3.371 1.00 0.00 C ATOM 1341 C LYS A 88 11.679 9.150 -4.363 1.00 0.00 C ATOM 1342 O LYS A 88 10.478 9.376 -4.506 1.00 0.00 O ATOM 1343 CB LYS A 88 12.908 9.187 -2.116 1.00 0.00 C ATOM 1344 CG LYS A 88 13.843 10.013 -1.231 1.00 0.00 C ATOM 1345 CD LYS A 88 15.069 9.197 -0.816 1.00 0.00 C ATOM 1346 CE LYS A 88 15.010 8.838 0.670 1.00 0.00 C ATOM 1347 NZ LYS A 88 16.365 8.875 1.266 1.00 0.00 N ATOM 0 H LYS A 88 10.989 11.023 -2.390 1.00 0.00 H new ATOM 0 HA LYS A 88 13.445 10.220 -3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.015 8.916 -1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.399 8.257 -2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.161 10.907 -1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.307 10.348 -0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.123 8.286 -1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.976 9.766 -1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.357 9.536 1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.579 7.845 0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.307 8.629 2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.978 8.191 0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.763 9.831 1.165 1.00 0.00 H new ATOM 1361 N SER A 89 12.350 8.218 -5.024 1.00 0.00 N ATOM 1362 CA SER A 89 11.688 7.368 -5.998 1.00 0.00 C ATOM 1363 C SER A 89 10.885 6.280 -5.283 1.00 0.00 C ATOM 1364 O SER A 89 11.328 5.741 -4.271 1.00 0.00 O ATOM 1365 CB SER A 89 12.701 6.737 -6.956 1.00 0.00 C ATOM 1366 OG SER A 89 13.583 7.706 -7.516 1.00 0.00 O ATOM 0 H SER A 89 13.346 8.033 -4.904 1.00 0.00 H new ATOM 0 HA SER A 89 11.008 7.985 -6.585 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.282 5.983 -6.424 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.170 6.224 -7.758 1.00 0.00 H new ATOM 0 HG SER A 89 14.215 7.263 -8.120 1.00 0.00 H new ATOM 1372 N LEU A 90 9.717 5.990 -5.839 1.00 0.00 N ATOM 1373 CA LEU A 90 8.848 4.976 -5.267 1.00 0.00 C ATOM 1374 C LEU A 90 9.679 3.744 -4.904 1.00 0.00 C ATOM 1375 O LEU A 90 9.727 3.344 -3.741 1.00 0.00 O ATOM 1376 CB LEU A 90 7.682 4.675 -6.211 1.00 0.00 C ATOM 1377 CG LEU A 90 6.374 5.413 -5.918 1.00 0.00 C ATOM 1378 CD1 LEU A 90 5.882 5.115 -4.500 1.00 0.00 C ATOM 1379 CD2 LEU A 90 6.523 6.915 -6.169 1.00 0.00 C ATOM 0 H LEU A 90 9.353 6.440 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 90 8.395 5.339 -4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.992 4.916 -7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.485 3.603 -6.183 1.00 0.00 H new ATOM 0 HG LEU A 90 5.613 5.046 -6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.951 5.652 -4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.711 4.044 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.634 5.437 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.579 7.415 -5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.303 7.316 -5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.794 7.085 -7.211 1.00 0.00 H new ATOM 1391 N GLN A 91 10.311 3.176 -5.920 1.00 0.00 N ATOM 1392 CA GLN A 91 11.138 1.997 -5.722 1.00 0.00 C ATOM 1393 C GLN A 91 11.926 2.114 -4.416 1.00 0.00 C ATOM 1394 O GLN A 91 11.944 1.184 -3.612 1.00 0.00 O ATOM 1395 CB GLN A 91 12.076 1.779 -6.911 1.00 0.00 C ATOM 1396 CG GLN A 91 11.779 0.449 -7.607 1.00 0.00 C ATOM 1397 CD GLN A 91 12.139 -0.733 -6.705 1.00 0.00 C ATOM 1398 OE1 GLN A 91 11.386 -1.133 -5.832 1.00 0.00 O ATOM 1399 NE2 GLN A 91 13.328 -1.269 -6.964 1.00 0.00 N ATOM 0 H GLN A 91 10.267 3.510 -6.883 1.00 0.00 H new ATOM 0 HA GLN A 91 10.485 1.127 -5.652 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.965 2.598 -7.621 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.111 1.792 -6.569 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.723 0.401 -7.872 1.00 0.00 H new ATOM 0 HG3 GLN A 91 12.344 0.387 -8.537 1.00 0.00 H new ATOM 0 HE21 GLN A 91 13.909 -0.885 -7.709 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.659 -2.064 -6.417 1.00 0.00 H new ATOM 1408 N GLU A 92 12.559 3.266 -4.245 1.00 0.00 N ATOM 1409 CA GLU A 92 13.346 3.517 -3.050 1.00 0.00 C ATOM 1410 C GLU A 92 12.436 3.609 -1.824 1.00 0.00 C ATOM 1411 O GLU A 92 12.607 2.860 -0.863 1.00 0.00 O ATOM 1412 CB GLU A 92 14.188 4.785 -3.205 1.00 0.00 C ATOM 1413 CG GLU A 92 15.257 4.606 -4.285 1.00 0.00 C ATOM 1414 CD GLU A 92 16.557 4.066 -3.685 1.00 0.00 C ATOM 1415 OE1 GLU A 92 16.451 3.239 -2.753 1.00 0.00 O ATOM 1416 OE2 GLU A 92 17.626 4.491 -4.171 1.00 0.00 O ATOM 0 H GLU A 92 12.543 4.036 -4.914 1.00 0.00 H new ATOM 0 HA GLU A 92 14.031 2.681 -2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.543 5.625 -3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.663 5.028 -2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.894 3.921 -5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.447 5.561 -4.775 1.00 0.00 H new ATOM 1423 N LEU A 93 11.490 4.533 -1.897 1.00 0.00 N ATOM 1424 CA LEU A 93 10.552 4.732 -0.805 1.00 0.00 C ATOM 1425 C LEU A 93 10.069 3.371 -0.299 1.00 0.00 C ATOM 1426 O LEU A 93 10.101 3.105 0.902 1.00 0.00 O ATOM 1427 CB LEU A 93 9.420 5.666 -1.234 1.00 0.00 C ATOM 1428 CG LEU A 93 9.769 7.154 -1.308 1.00 0.00 C ATOM 1429 CD1 LEU A 93 8.541 7.988 -1.678 1.00 0.00 C ATOM 1430 CD2 LEU A 93 10.415 7.631 -0.006 1.00 0.00 C ATOM 0 H LEU A 93 11.353 5.153 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 93 11.042 5.228 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.065 5.347 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.590 5.542 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 93 10.503 7.293 -2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.817 9.041 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.164 7.669 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.766 7.848 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.653 8.692 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.723 7.475 0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.330 7.066 0.175 1.00 0.00 H new ATOM 1442 N PHE A 94 9.633 2.547 -1.239 1.00 0.00 N ATOM 1443 CA PHE A 94 9.143 1.221 -0.904 1.00 0.00 C ATOM 1444 C PHE A 94 10.158 0.462 -0.047 1.00 0.00 C ATOM 1445 O PHE A 94 9.830 -0.005 1.043 1.00 0.00 O ATOM 1446 CB PHE A 94 8.945 0.470 -2.222 1.00 0.00 C ATOM 1447 CG PHE A 94 7.888 1.090 -3.138 1.00 0.00 C ATOM 1448 CD1 PHE A 94 6.866 1.813 -2.606 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.969 0.918 -4.485 1.00 0.00 C ATOM 1450 CE1 PHE A 94 5.885 2.389 -3.456 1.00 0.00 C ATOM 1451 CE2 PHE A 94 6.988 1.493 -5.335 1.00 0.00 C ATOM 1452 CZ PHE A 94 5.967 2.216 -4.803 1.00 0.00 C ATOM 0 H PHE A 94 9.609 2.772 -2.234 1.00 0.00 H new ATOM 0 HA PHE A 94 8.215 1.300 -0.337 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.896 0.433 -2.754 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.662 -0.560 -2.003 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.801 1.949 -1.537 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.780 0.344 -4.908 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.074 2.964 -3.033 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.053 1.356 -6.404 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.221 2.653 -5.450 1.00 0.00 H new ATOM 1462 N LEU A 95 11.371 0.363 -0.571 1.00 0.00 N ATOM 1463 CA LEU A 95 12.436 -0.331 0.132 1.00 0.00 C ATOM 1464 C LEU A 95 12.731 0.395 1.446 1.00 0.00 C ATOM 1465 O LEU A 95 13.182 -0.219 2.412 1.00 0.00 O ATOM 1466 CB LEU A 95 13.661 -0.489 -0.771 1.00 0.00 C ATOM 1467 CG LEU A 95 13.710 -1.763 -1.618 1.00 0.00 C ATOM 1468 CD1 LEU A 95 14.296 -1.479 -3.002 1.00 0.00 C ATOM 1469 CD2 LEU A 95 14.468 -2.875 -0.892 1.00 0.00 C ATOM 0 H LEU A 95 11.640 0.752 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 95 12.126 -1.344 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.708 0.370 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.554 -0.457 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 95 12.689 -2.114 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.320 -2.401 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.678 -0.742 -3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 95 15.309 -1.091 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 95 14.488 -3.769 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.489 -2.549 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.968 -3.101 0.050 1.00 0.00 H new ATOM 1481 N ALA A 96 12.465 1.693 1.440 1.00 0.00 N ATOM 1482 CA ALA A 96 12.697 2.510 2.620 1.00 0.00 C ATOM 1483 C ALA A 96 11.564 2.282 3.623 1.00 0.00 C ATOM 1484 O ALA A 96 11.653 2.709 4.773 1.00 0.00 O ATOM 1485 CB ALA A 96 12.824 3.978 2.208 1.00 0.00 C ATOM 0 H ALA A 96 12.091 2.199 0.637 1.00 0.00 H new ATOM 0 HA ALA A 96 13.630 2.226 3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 96 12.998 4.590 3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.660 4.091 1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.904 4.300 1.719 1.00 0.00 H new ATOM 1491 N HIS A 97 10.525 1.610 3.150 1.00 0.00 N ATOM 1492 CA HIS A 97 9.376 1.320 3.991 1.00 0.00 C ATOM 1493 C HIS A 97 8.770 -0.026 3.588 1.00 0.00 C ATOM 1494 O HIS A 97 7.550 -0.171 3.535 1.00 0.00 O ATOM 1495 CB HIS A 97 8.362 2.465 3.940 1.00 0.00 C ATOM 1496 CG HIS A 97 8.960 3.827 4.203 1.00 0.00 C ATOM 1497 ND1 HIS A 97 9.310 4.260 5.470 1.00 0.00 N ATOM 1498 CD2 HIS A 97 9.267 4.845 3.349 1.00 0.00 C ATOM 1499 CE1 HIS A 97 9.803 5.486 5.371 1.00 0.00 C ATOM 1500 NE2 HIS A 97 9.775 5.847 4.056 1.00 0.00 N ATOM 0 H HIS A 97 10.455 1.258 2.195 1.00 0.00 H new ATOM 0 HA HIS A 97 9.694 1.239 5.030 1.00 0.00 H new ATOM 0 HB2 HIS A 97 7.886 2.472 2.959 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.578 2.276 4.674 1.00 0.00 H new ATOM 0 HD1 HIS A 97 9.206 3.726 6.333 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.121 4.837 2.279 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.164 6.093 6.188 1.00 0.00 H new ATOM 1508 N ILE A 98 9.652 -0.976 3.313 1.00 0.00 N ATOM 1509 CA ILE A 98 9.220 -2.305 2.916 1.00 0.00 C ATOM 1510 C ILE A 98 9.071 -3.182 4.161 1.00 0.00 C ATOM 1511 O ILE A 98 10.027 -3.366 4.913 1.00 0.00 O ATOM 1512 CB ILE A 98 10.168 -2.886 1.865 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.557 -4.117 1.194 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.541 -3.185 2.471 1.00 0.00 C ATOM 1515 CD1 ILE A 98 9.195 -3.824 -0.263 1.00 0.00 C ATOM 0 H ILE A 98 10.663 -0.852 3.357 1.00 0.00 H new ATOM 0 HA ILE A 98 8.241 -2.260 2.438 1.00 0.00 H new ATOM 0 HB ILE A 98 10.315 -2.137 1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.262 -4.947 1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.665 -4.428 1.739 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.196 -3.597 1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 98 11.975 -2.264 2.862 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.432 -3.907 3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.763 -4.716 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.471 -3.010 -0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.093 -3.537 -0.810 1.00 0.00 H new ATOM 1527 N LEU A 99 7.865 -3.700 4.340 1.00 0.00 N ATOM 1528 CA LEU A 99 7.579 -4.553 5.481 1.00 0.00 C ATOM 1529 C LEU A 99 7.757 -6.017 5.075 1.00 0.00 C ATOM 1530 O LEU A 99 8.084 -6.861 5.909 1.00 0.00 O ATOM 1531 CB LEU A 99 6.195 -4.237 6.053 1.00 0.00 C ATOM 1532 CG LEU A 99 6.051 -2.885 6.754 1.00 0.00 C ATOM 1533 CD1 LEU A 99 4.722 -2.795 7.505 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.247 -2.612 7.669 1.00 0.00 C ATOM 0 H LEU A 99 7.075 -3.546 3.714 1.00 0.00 H new ATOM 0 HA LEU A 99 8.284 -4.358 6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.469 -4.282 5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.929 -5.021 6.762 1.00 0.00 H new ATOM 0 HG LEU A 99 6.043 -2.105 5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.646 -1.824 7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.898 -2.913 6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.674 -3.584 8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.120 -1.645 8.155 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.311 -3.393 8.426 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.163 -2.603 7.078 1.00 0.00 H new ATOM 1546 N SER A 100 7.533 -6.275 3.795 1.00 0.00 N ATOM 1547 CA SER A 100 7.665 -7.622 3.268 1.00 0.00 C ATOM 1548 C SER A 100 8.988 -7.762 2.513 1.00 0.00 C ATOM 1549 O SER A 100 9.735 -6.794 2.378 1.00 0.00 O ATOM 1550 CB SER A 100 6.491 -7.973 2.352 1.00 0.00 C ATOM 1551 OG SER A 100 6.223 -6.938 1.409 1.00 0.00 O ATOM 0 H SER A 100 7.261 -5.573 3.107 1.00 0.00 H new ATOM 0 HA SER A 100 7.657 -8.319 4.106 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.709 -8.900 1.821 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.601 -8.153 2.955 1.00 0.00 H new ATOM 0 HG SER A 100 6.275 -7.302 0.500 1.00 0.00 H new ATOM 1557 N SER A 101 9.239 -8.975 2.042 1.00 0.00 N ATOM 1558 CA SER A 101 10.459 -9.254 1.304 1.00 0.00 C ATOM 1559 C SER A 101 10.140 -9.452 -0.179 1.00 0.00 C ATOM 1560 O SER A 101 11.038 -9.427 -1.020 1.00 0.00 O ATOM 1561 CB SER A 101 11.171 -10.487 1.863 1.00 0.00 C ATOM 1562 OG SER A 101 12.533 -10.216 2.186 1.00 0.00 O ATOM 0 H SER A 101 8.618 -9.776 2.157 1.00 0.00 H new ATOM 0 HA SER A 101 11.128 -8.401 1.414 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.649 -10.834 2.755 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.125 -11.295 1.132 1.00 0.00 H new ATOM 0 HG SER A 101 12.953 -11.027 2.541 1.00 0.00 H new ATOM 1568 N TRP A 102 8.859 -9.646 -0.455 1.00 0.00 N ATOM 1569 CA TRP A 102 8.410 -9.849 -1.822 1.00 0.00 C ATOM 1570 C TRP A 102 7.969 -8.495 -2.381 1.00 0.00 C ATOM 1571 O TRP A 102 8.219 -7.456 -1.771 1.00 0.00 O ATOM 1572 CB TRP A 102 7.309 -10.909 -1.886 1.00 0.00 C ATOM 1573 CG TRP A 102 5.945 -10.421 -1.394 1.00 0.00 C ATOM 1574 CD1 TRP A 102 5.002 -9.771 -2.090 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.407 -10.571 -0.064 1.00 0.00 C ATOM 1576 NE1 TRP A 102 3.899 -9.492 -1.307 1.00 0.00 N ATOM 1577 CE2 TRP A 102 4.154 -9.994 -0.036 1.00 0.00 C ATOM 1578 CE3 TRP A 102 5.961 -11.174 1.079 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 3.348 -9.963 1.108 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 5.143 -11.135 2.215 1.00 0.00 C ATOM 1581 CH2 TRP A 102 3.880 -10.558 2.259 1.00 0.00 C ATOM 0 H TRP A 102 8.117 -9.667 0.245 1.00 0.00 H new ATOM 0 HA TRP A 102 9.221 -10.234 -2.441 1.00 0.00 H new ATOM 0 HB2 TRP A 102 7.210 -11.254 -2.915 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.612 -11.769 -1.289 1.00 0.00 H new ATOM 0 HD1 TRP A 102 5.093 -9.500 -3.131 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.053 -9.007 -1.606 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.940 -11.631 1.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.370 -9.505 1.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.521 -11.585 3.121 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.311 -10.568 3.177 1.00 0.00 H new ATOM 1592 N GLY A 103 7.321 -8.550 -3.535 1.00 0.00 N ATOM 1593 CA GLY A 103 6.842 -7.340 -4.183 1.00 0.00 C ATOM 1594 C GLY A 103 7.782 -6.916 -5.314 1.00 0.00 C ATOM 1595 O GLY A 103 8.387 -5.847 -5.254 1.00 0.00 O ATOM 0 H GLY A 103 7.116 -9.413 -4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.841 -7.508 -4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.763 -6.537 -3.450 1.00 0.00 H new