USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=28 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 4:sc= -1.49 USER MOD Set 1.2: A 64 MET CE :methyl -143:sc= -4.52! (180deg=-6.94!) USER MOD Set 2.1: A 32 MET CE :methyl -138:sc= -0.169 (180deg=-1.63) USER MOD Set 2.2: A 35 LYS NZ :NH3+ -160:sc= 0.065 (180deg=0) USER MOD Set 2.3: A 84 SER OG : rot -140:sc= 0.0464 USER MOD Set 3.1: A 18 THR OG1 : rot -160:sc= 0.872 USER MOD Set 3.2: A 26 LYS NZ :NH3+ -128:sc= 1.01 (180deg=0) USER MOD Set 4.1: A 9 LYS NZ :NH3+ 155:sc= 0.0623 (180deg=-0.49) USER MOD Set 4.2: A 12 SER OG : rot -130:sc= 0.101 USER MOD Single : A 13 ASN : amide:sc= -0.0703 X(o=-0.07,f=0.39) USER MOD Single : A 14 MET CE :methyl -145:sc= -0.704 (180deg=-2.96!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 K(o=0,f=-1.2) USER MOD Single : A 30 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 170:sc= -0.4 USER MOD Single : A 43 THR OG1 : rot 160:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 159:sc= -0.016 (180deg=-0.233) USER MOD Single : A 48 SER OG : rot -140:sc= 0.906 USER MOD Single : A 50 CYS SG : rot -170:sc= -0.451 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00662 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 142:sc= 0.776 (180deg=-0.182) USER MOD Single : A 60 MET CE :methyl 161:sc= -4.52! (180deg=-6.62!) USER MOD Single : A 61 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.3) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -135:sc= 0.251 (180deg=-0.335) USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= -0.04 (180deg=-0.283) USER MOD Single : A 71 ASN : amide:sc=-0.00896 X(o=-0.009,f=-0.16) USER MOD Single : A 76 SER OG : rot 180:sc= 0.12 USER MOD Single : A 81 GLN : amide:sc= -2.69 K(o=-2.7,f=-9.3!) USER MOD Single : A 86 SER OG : rot -129:sc= -0.307 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00542 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 X(o=0,f=0) USER MOD Single : A 97 HIS : no HE2:sc= -11.3! C(o=-11!,f=-17!) USER MOD Single : A 100 SER OG : rot 140:sc= 0.872 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 9 1.481 13.760 -7.249 1.00 0.00 N ATOM 79 CA LYS A 9 0.628 12.583 -7.246 1.00 0.00 C ATOM 80 C LYS A 9 1.463 11.353 -7.608 1.00 0.00 C ATOM 81 O LYS A 9 1.523 10.960 -8.771 1.00 0.00 O ATOM 82 CB LYS A 9 -0.581 12.796 -8.158 1.00 0.00 C ATOM 83 CG LYS A 9 -1.242 14.149 -7.887 1.00 0.00 C ATOM 84 CD LYS A 9 -2.760 14.063 -8.059 1.00 0.00 C ATOM 85 CE LYS A 9 -3.218 14.848 -9.289 1.00 0.00 C ATOM 86 NZ LYS A 9 -2.487 14.396 -10.494 1.00 0.00 N ATOM 0 HA LYS A 9 0.220 12.410 -6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.268 12.743 -9.201 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.305 11.996 -8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.005 14.477 -6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.837 14.898 -8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.060 13.020 -8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.253 14.454 -7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.290 14.714 -9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.049 15.913 -9.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.057 14.595 -11.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.581 14.902 -10.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.309 13.373 -10.429 1.00 0.00 H new ATOM 100 N PRO A 10 2.104 10.765 -6.562 1.00 0.00 N ATOM 101 CA PRO A 10 2.932 9.588 -6.758 1.00 0.00 C ATOM 102 C PRO A 10 2.072 8.342 -6.977 1.00 0.00 C ATOM 103 O PRO A 10 2.460 7.437 -7.714 1.00 0.00 O ATOM 104 CB PRO A 10 3.796 9.502 -5.510 1.00 0.00 C ATOM 105 CG PRO A 10 3.099 10.355 -4.462 1.00 0.00 C ATOM 106 CD PRO A 10 2.056 11.204 -5.170 1.00 0.00 C ATOM 0 HA PRO A 10 3.552 9.655 -7.652 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.893 8.470 -5.172 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.803 9.869 -5.706 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.629 9.724 -3.707 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.820 10.988 -3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.065 11.053 -4.741 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.284 12.266 -5.082 1.00 0.00 H new ATOM 114 N LEU A 11 0.920 8.335 -6.323 1.00 0.00 N ATOM 115 CA LEU A 11 0.001 7.215 -6.436 1.00 0.00 C ATOM 116 C LEU A 11 -0.890 7.415 -7.664 1.00 0.00 C ATOM 117 O LEU A 11 -1.549 6.479 -8.115 1.00 0.00 O ATOM 118 CB LEU A 11 -0.780 7.029 -5.134 1.00 0.00 C ATOM 119 CG LEU A 11 0.055 6.971 -3.853 1.00 0.00 C ATOM 120 CD1 LEU A 11 -0.840 6.831 -2.620 1.00 0.00 C ATOM 121 CD2 LEU A 11 1.101 5.857 -3.931 1.00 0.00 C ATOM 0 H LEU A 11 0.602 9.088 -5.713 1.00 0.00 H new ATOM 0 HA LEU A 11 0.550 6.285 -6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.494 7.847 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.358 6.108 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 11 0.594 7.913 -3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.221 6.792 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.513 7.687 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.425 5.914 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.681 5.837 -3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.601 4.898 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.767 6.041 -4.774 1.00 0.00 H new ATOM 133 N SER A 12 -0.881 8.639 -8.170 1.00 0.00 N ATOM 134 CA SER A 12 -1.680 8.973 -9.337 1.00 0.00 C ATOM 135 C SER A 12 -1.640 7.822 -10.344 1.00 0.00 C ATOM 136 O SER A 12 -0.705 7.717 -11.136 1.00 0.00 O ATOM 137 CB SER A 12 -1.188 10.267 -9.989 1.00 0.00 C ATOM 138 OG SER A 12 -2.262 11.153 -10.292 1.00 0.00 O ATOM 0 H SER A 12 -0.333 9.412 -7.793 1.00 0.00 H new ATOM 0 HA SER A 12 -2.709 9.130 -9.014 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.485 10.765 -9.322 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.645 10.029 -10.904 1.00 0.00 H new ATOM 0 HG SER A 12 -2.186 11.453 -11.222 1.00 0.00 H new ATOM 144 N ASN A 13 -2.667 6.988 -10.282 1.00 0.00 N ATOM 145 CA ASN A 13 -2.762 5.848 -11.179 1.00 0.00 C ATOM 146 C ASN A 13 -2.153 4.619 -10.501 1.00 0.00 C ATOM 147 O ASN A 13 -1.345 3.912 -11.101 1.00 0.00 O ATOM 148 CB ASN A 13 -1.991 6.103 -12.476 1.00 0.00 C ATOM 149 CG ASN A 13 -2.529 5.233 -13.614 1.00 0.00 C ATOM 150 OD1 ASN A 13 -2.609 4.020 -13.517 1.00 0.00 O ATOM 151 ND2 ASN A 13 -2.892 5.919 -14.694 1.00 0.00 N ATOM 0 H ASN A 13 -3.441 7.079 -9.624 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.815 5.687 -11.410 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.070 7.155 -12.749 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.933 5.892 -12.322 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.264 5.430 -15.508 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.798 6.935 -14.708 1.00 0.00 H new ATOM 158 N MET A 14 -2.565 4.402 -9.261 1.00 0.00 N ATOM 159 CA MET A 14 -2.071 3.271 -8.495 1.00 0.00 C ATOM 160 C MET A 14 -3.018 2.933 -7.342 1.00 0.00 C ATOM 161 O MET A 14 -3.421 3.815 -6.587 1.00 0.00 O ATOM 162 CB MET A 14 -0.684 3.598 -7.938 1.00 0.00 C ATOM 163 CG MET A 14 0.414 3.167 -8.912 1.00 0.00 C ATOM 164 SD MET A 14 1.421 1.892 -8.171 1.00 0.00 S ATOM 165 CE MET A 14 1.751 2.641 -6.585 1.00 0.00 C ATOM 0 H MET A 14 -3.236 4.991 -8.767 1.00 0.00 H new ATOM 0 HA MET A 14 -2.012 2.407 -9.156 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.607 4.669 -7.749 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.544 3.095 -6.981 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.032 2.799 -9.836 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.034 4.024 -9.177 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.757 2.375 -6.259 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.672 3.725 -6.671 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.026 2.281 -5.855 1.00 0.00 H new ATOM 175 N LYS A 15 -3.346 1.653 -7.244 1.00 0.00 N ATOM 176 CA LYS A 15 -4.238 1.187 -6.196 1.00 0.00 C ATOM 177 C LYS A 15 -3.412 0.755 -4.983 1.00 0.00 C ATOM 178 O LYS A 15 -2.460 -0.013 -5.118 1.00 0.00 O ATOM 179 CB LYS A 15 -5.167 0.094 -6.729 1.00 0.00 C ATOM 180 CG LYS A 15 -6.473 0.693 -7.255 1.00 0.00 C ATOM 181 CD LYS A 15 -7.131 -0.238 -8.275 1.00 0.00 C ATOM 182 CE LYS A 15 -8.636 0.024 -8.366 1.00 0.00 C ATOM 183 NZ LYS A 15 -9.214 -0.674 -9.536 1.00 0.00 N ATOM 0 H LYS A 15 -3.010 0.924 -7.873 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.891 1.995 -5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.668 -0.456 -7.527 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.384 -0.622 -5.936 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.157 0.870 -6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.274 1.661 -7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.673 -0.093 -9.253 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.955 -1.276 -7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.126 -0.316 -7.454 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.820 1.095 -8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.236 -0.486 -9.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.758 -0.330 -10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.055 -1.698 -9.443 1.00 0.00 H new ATOM 197 N ILE A 16 -3.806 1.265 -3.826 1.00 0.00 N ATOM 198 CA ILE A 16 -3.113 0.941 -2.590 1.00 0.00 C ATOM 199 C ILE A 16 -4.044 0.131 -1.686 1.00 0.00 C ATOM 200 O ILE A 16 -5.170 0.548 -1.416 1.00 0.00 O ATOM 201 CB ILE A 16 -2.568 2.211 -1.933 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.622 2.954 -2.877 1.00 0.00 C ATOM 203 CG2 ILE A 16 -1.906 1.892 -0.591 1.00 0.00 C ATOM 204 CD1 ILE A 16 -2.390 3.584 -4.040 1.00 0.00 C ATOM 0 H ILE A 16 -4.596 1.901 -3.718 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.243 0.317 -2.793 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.406 2.877 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.088 3.729 -2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.872 2.264 -3.263 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.527 2.811 -0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.638 1.439 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.080 1.198 -0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.693 4.106 -4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.903 2.804 -4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.122 4.292 -3.652 1.00 0.00 H new ATOM 216 N LEU A 17 -3.541 -1.011 -1.243 1.00 0.00 N ATOM 217 CA LEU A 17 -4.313 -1.883 -0.375 1.00 0.00 C ATOM 218 C LEU A 17 -3.813 -1.738 1.063 1.00 0.00 C ATOM 219 O LEU A 17 -2.699 -1.267 1.292 1.00 0.00 O ATOM 220 CB LEU A 17 -4.281 -3.322 -0.895 1.00 0.00 C ATOM 221 CG LEU A 17 -5.450 -4.215 -0.472 1.00 0.00 C ATOM 222 CD1 LEU A 17 -5.188 -4.849 0.896 1.00 0.00 C ATOM 223 CD2 LEU A 17 -6.769 -3.441 -0.501 1.00 0.00 C ATOM 0 H LEU A 17 -2.607 -1.353 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.363 -1.590 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.248 -3.293 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.354 -3.788 -0.560 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.537 -5.028 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.034 -5.479 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.284 -5.456 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.060 -4.065 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.583 -4.098 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.710 -2.595 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.955 -3.077 -1.511 1.00 0.00 H new ATOM 235 N THR A 18 -4.659 -2.151 1.995 1.00 0.00 N ATOM 236 CA THR A 18 -4.316 -2.072 3.405 1.00 0.00 C ATOM 237 C THR A 18 -4.772 -3.337 4.136 1.00 0.00 C ATOM 238 O THR A 18 -5.773 -3.947 3.763 1.00 0.00 O ATOM 239 CB THR A 18 -4.929 -0.789 3.970 1.00 0.00 C ATOM 240 OG1 THR A 18 -6.329 -0.948 3.753 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.562 0.447 3.146 1.00 0.00 C ATOM 0 H THR A 18 -5.581 -2.541 1.802 1.00 0.00 H new ATOM 0 HA THR A 18 -3.236 -2.023 3.547 1.00 0.00 H new ATOM 0 HB THR A 18 -4.597 -0.651 4.999 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.767 -0.072 3.786 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.022 1.330 3.590 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.479 0.569 3.136 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.923 0.324 2.125 1.00 0.00 H new ATOM 249 N LEU A 19 -4.016 -3.692 5.164 1.00 0.00 N ATOM 250 CA LEU A 19 -4.330 -4.873 5.951 1.00 0.00 C ATOM 251 C LEU A 19 -4.270 -4.520 7.438 1.00 0.00 C ATOM 252 O LEU A 19 -3.906 -3.402 7.801 1.00 0.00 O ATOM 253 CB LEU A 19 -3.418 -6.037 5.557 1.00 0.00 C ATOM 254 CG LEU A 19 -4.110 -7.246 4.924 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.375 -7.699 3.661 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.262 -8.383 5.937 1.00 0.00 C ATOM 0 H LEU A 19 -3.187 -3.183 5.471 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.346 -5.210 5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.669 -5.665 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.885 -6.373 6.447 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.114 -6.946 4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.887 -8.560 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.362 -6.885 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.352 -7.976 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.757 -9.230 5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.277 -8.689 6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.860 -8.040 6.781 1.00 0.00 H new ATOM 268 N GLY A 20 -4.631 -5.495 8.260 1.00 0.00 N ATOM 269 CA GLY A 20 -4.623 -5.301 9.700 1.00 0.00 C ATOM 270 C GLY A 20 -5.122 -3.903 10.068 1.00 0.00 C ATOM 271 O GLY A 20 -6.134 -3.443 9.543 1.00 0.00 O ATOM 0 H GLY A 20 -4.931 -6.421 7.956 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.253 -6.053 10.175 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.613 -5.443 10.084 1.00 0.00 H new ATOM 275 N LYS A 21 -4.387 -3.265 10.968 1.00 0.00 N ATOM 276 CA LYS A 21 -4.743 -1.928 11.413 1.00 0.00 C ATOM 277 C LYS A 21 -3.478 -1.071 11.497 1.00 0.00 C ATOM 278 O LYS A 21 -2.433 -1.542 11.944 1.00 0.00 O ATOM 279 CB LYS A 21 -5.532 -1.991 12.722 1.00 0.00 C ATOM 280 CG LYS A 21 -6.081 -0.613 13.098 1.00 0.00 C ATOM 281 CD LYS A 21 -7.596 -0.665 13.304 1.00 0.00 C ATOM 282 CE LYS A 21 -8.278 0.544 12.659 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.360 1.055 13.531 1.00 0.00 N ATOM 0 H LYS A 21 -3.547 -3.649 11.401 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.406 -1.450 10.692 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.355 -2.699 12.621 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.889 -2.361 13.521 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.598 -0.261 14.010 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.841 0.105 12.313 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.994 -1.584 12.874 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.821 -0.688 14.370 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.545 1.330 12.481 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.687 0.263 11.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.812 1.875 13.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.068 0.308 13.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.961 1.342 14.448 1.00 0.00 H new ATOM 297 N LEU A 22 -3.615 0.173 11.062 1.00 0.00 N ATOM 298 CA LEU A 22 -2.497 1.100 11.082 1.00 0.00 C ATOM 299 C LEU A 22 -2.724 2.142 12.180 1.00 0.00 C ATOM 300 O LEU A 22 -3.777 2.160 12.815 1.00 0.00 O ATOM 301 CB LEU A 22 -2.278 1.707 9.695 1.00 0.00 C ATOM 302 CG LEU A 22 -2.189 0.713 8.535 1.00 0.00 C ATOM 303 CD1 LEU A 22 -2.859 1.274 7.279 1.00 0.00 C ATOM 304 CD2 LEU A 22 -0.739 0.301 8.275 1.00 0.00 C ATOM 0 H LEU A 22 -4.484 0.560 10.694 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.573 0.576 11.324 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.093 2.401 9.491 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.359 2.292 9.717 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.734 -0.188 8.816 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.781 0.548 6.470 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.910 1.475 7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.364 2.199 6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.705 -0.406 7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.149 1.183 8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.328 -0.168 9.169 1.00 0.00 H new ATOM 316 N SER A 23 -1.719 2.985 12.368 1.00 0.00 N ATOM 317 CA SER A 23 -1.796 4.027 13.378 1.00 0.00 C ATOM 318 C SER A 23 -2.966 4.965 13.073 1.00 0.00 C ATOM 319 O SER A 23 -3.723 5.331 13.970 1.00 0.00 O ATOM 320 CB SER A 23 -0.488 4.817 13.455 1.00 0.00 C ATOM 321 OG SER A 23 -0.562 5.881 14.400 1.00 0.00 O ATOM 0 H SER A 23 -0.848 2.968 11.838 1.00 0.00 H new ATOM 0 HA SER A 23 -1.960 3.554 14.346 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.326 4.145 13.728 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.250 5.222 12.471 1.00 0.00 H new ATOM 0 HG SER A 23 0.293 6.360 14.421 1.00 0.00 H new ATOM 327 N ARG A 24 -3.076 5.329 11.804 1.00 0.00 N ATOM 328 CA ARG A 24 -4.140 6.218 11.369 1.00 0.00 C ATOM 329 C ARG A 24 -5.410 5.419 11.070 1.00 0.00 C ATOM 330 O ARG A 24 -5.390 4.189 11.078 1.00 0.00 O ATOM 331 CB ARG A 24 -3.730 6.998 10.119 1.00 0.00 C ATOM 332 CG ARG A 24 -2.810 8.167 10.478 1.00 0.00 C ATOM 333 CD ARG A 24 -3.260 9.453 9.783 1.00 0.00 C ATOM 334 NE ARG A 24 -2.241 10.511 9.966 1.00 0.00 N ATOM 335 CZ ARG A 24 -2.300 11.719 9.390 1.00 0.00 C ATOM 336 NH1 ARG A 24 -3.329 12.030 8.590 1.00 0.00 N ATOM 337 NH2 ARG A 24 -1.330 12.616 9.613 1.00 0.00 N ATOM 0 H ARG A 24 -2.445 5.024 11.062 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.333 6.924 12.177 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.222 6.332 9.421 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.619 7.373 9.612 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.808 8.315 11.558 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.786 7.931 10.187 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.416 9.266 8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.215 9.782 10.192 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.444 10.307 10.569 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.067 11.347 8.420 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.374 12.950 8.151 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.546 12.379 10.221 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.375 13.536 9.174 1.00 0.00 H new ATOM 351 N ASN A 25 -6.484 6.151 10.814 1.00 0.00 N ATOM 352 CA ASN A 25 -7.761 5.526 10.513 1.00 0.00 C ATOM 353 C ASN A 25 -7.840 5.234 9.013 1.00 0.00 C ATOM 354 O ASN A 25 -7.286 5.975 8.203 1.00 0.00 O ATOM 355 CB ASN A 25 -8.926 6.449 10.877 1.00 0.00 C ATOM 356 CG ASN A 25 -9.023 6.638 12.392 1.00 0.00 C ATOM 357 OD1 ASN A 25 -8.376 5.957 13.171 1.00 0.00 O ATOM 358 ND2 ASN A 25 -9.864 7.598 12.764 1.00 0.00 N ATOM 0 H ASN A 25 -6.496 7.171 10.809 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.833 4.608 11.096 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.792 7.417 10.394 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.858 6.030 10.499 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.999 7.802 13.754 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.374 8.130 12.059 1.00 0.00 H new ATOM 365 N LYS A 26 -8.532 4.152 8.689 1.00 0.00 N ATOM 366 CA LYS A 26 -8.691 3.753 7.301 1.00 0.00 C ATOM 367 C LYS A 26 -8.978 4.990 6.448 1.00 0.00 C ATOM 368 O LYS A 26 -8.331 5.207 5.425 1.00 0.00 O ATOM 369 CB LYS A 26 -9.754 2.660 7.176 1.00 0.00 C ATOM 370 CG LYS A 26 -9.135 1.345 6.696 1.00 0.00 C ATOM 371 CD LYS A 26 -10.149 0.519 5.901 1.00 0.00 C ATOM 372 CE LYS A 26 -9.536 0.003 4.598 1.00 0.00 C ATOM 373 NZ LYS A 26 -8.967 -1.349 4.794 1.00 0.00 N ATOM 0 H LYS A 26 -8.989 3.539 9.364 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.768 3.313 6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.239 2.507 8.140 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.528 2.978 6.477 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.264 1.554 6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.784 0.770 7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.491 -0.322 6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.025 1.128 5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.296 -0.025 3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.757 0.686 4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.983 -1.364 4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.990 -1.592 5.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.527 -2.042 4.259 1.00 0.00 H new ATOM 387 N ASP A 27 -9.949 5.770 6.902 1.00 0.00 N ATOM 388 CA ASP A 27 -10.329 6.980 6.194 1.00 0.00 C ATOM 389 C ASP A 27 -9.092 7.855 5.987 1.00 0.00 C ATOM 390 O ASP A 27 -8.680 8.098 4.854 1.00 0.00 O ATOM 391 CB ASP A 27 -11.352 7.788 6.994 1.00 0.00 C ATOM 392 CG ASP A 27 -12.721 7.939 6.328 1.00 0.00 C ATOM 393 OD1 ASP A 27 -12.966 7.189 5.359 1.00 0.00 O ATOM 394 OD2 ASP A 27 -13.491 8.802 6.803 1.00 0.00 O ATOM 0 H ASP A 27 -10.483 5.587 7.751 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.767 6.688 5.239 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.488 7.313 7.966 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.943 8.781 7.179 1.00 0.00 H new ATOM 399 N GLU A 28 -8.533 8.306 7.101 1.00 0.00 N ATOM 400 CA GLU A 28 -7.351 9.150 7.057 1.00 0.00 C ATOM 401 C GLU A 28 -6.395 8.668 5.963 1.00 0.00 C ATOM 402 O GLU A 28 -5.829 9.476 5.229 1.00 0.00 O ATOM 403 CB GLU A 28 -6.652 9.187 8.417 1.00 0.00 C ATOM 404 CG GLU A 28 -7.496 9.940 9.447 1.00 0.00 C ATOM 405 CD GLU A 28 -6.633 10.902 10.266 1.00 0.00 C ATOM 406 OE1 GLU A 28 -5.809 11.601 9.636 1.00 0.00 O ATOM 407 OE2 GLU A 28 -6.817 10.918 11.502 1.00 0.00 O ATOM 0 H GLU A 28 -8.877 8.103 8.039 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.664 10.167 6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.470 8.170 8.764 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.679 9.668 8.317 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.285 10.496 8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.985 9.228 10.112 1.00 0.00 H new ATOM 414 N VAL A 29 -6.246 7.354 5.889 1.00 0.00 N ATOM 415 CA VAL A 29 -5.370 6.755 4.897 1.00 0.00 C ATOM 416 C VAL A 29 -6.041 6.820 3.523 1.00 0.00 C ATOM 417 O VAL A 29 -5.474 7.365 2.577 1.00 0.00 O ATOM 418 CB VAL A 29 -5.002 5.330 5.315 1.00 0.00 C ATOM 419 CG1 VAL A 29 -4.258 4.603 4.193 1.00 0.00 C ATOM 420 CG2 VAL A 29 -4.181 5.332 6.606 1.00 0.00 C ATOM 0 H VAL A 29 -6.717 6.687 6.500 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.435 7.311 4.829 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.928 4.788 5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.009 3.593 4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.892 4.554 3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.342 5.144 3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.933 4.307 6.881 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.263 5.899 6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.762 5.792 7.406 1.00 0.00 H new ATOM 430 N LYS A 30 -7.238 6.258 3.458 1.00 0.00 N ATOM 431 CA LYS A 30 -7.993 6.245 2.216 1.00 0.00 C ATOM 432 C LYS A 30 -7.900 7.622 1.554 1.00 0.00 C ATOM 433 O LYS A 30 -7.881 7.725 0.329 1.00 0.00 O ATOM 434 CB LYS A 30 -9.428 5.778 2.465 1.00 0.00 C ATOM 435 CG LYS A 30 -10.241 5.788 1.169 1.00 0.00 C ATOM 436 CD LYS A 30 -11.742 5.735 1.463 1.00 0.00 C ATOM 437 CE LYS A 30 -12.459 4.800 0.486 1.00 0.00 C ATOM 438 NZ LYS A 30 -13.704 5.427 -0.010 1.00 0.00 N ATOM 0 H LYS A 30 -7.705 5.808 4.245 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.566 5.525 1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.419 4.772 2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.903 6.427 3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.010 6.687 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.957 4.936 0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.904 5.393 2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.166 6.737 1.391 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.803 4.567 -0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.691 3.857 0.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.179 4.780 -0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.335 5.627 0.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.474 6.315 -0.499 1.00 0.00 H new ATOM 452 N ALA A 31 -7.844 8.644 2.395 1.00 0.00 N ATOM 453 CA ALA A 31 -7.754 10.010 1.907 1.00 0.00 C ATOM 454 C ALA A 31 -6.344 10.263 1.369 1.00 0.00 C ATOM 455 O ALA A 31 -6.181 10.779 0.265 1.00 0.00 O ATOM 456 CB ALA A 31 -8.133 10.979 3.029 1.00 0.00 C ATOM 0 H ALA A 31 -7.859 8.554 3.411 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.453 10.172 1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.066 12.004 2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.153 10.777 3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.451 10.848 3.869 1.00 0.00 H new ATOM 462 N MET A 32 -5.362 9.887 2.175 1.00 0.00 N ATOM 463 CA MET A 32 -3.971 10.067 1.794 1.00 0.00 C ATOM 464 C MET A 32 -3.677 9.387 0.455 1.00 0.00 C ATOM 465 O MET A 32 -2.918 9.911 -0.358 1.00 0.00 O ATOM 466 CB MET A 32 -3.065 9.477 2.876 1.00 0.00 C ATOM 467 CG MET A 32 -2.182 10.559 3.501 1.00 0.00 C ATOM 468 SD MET A 32 -0.903 11.042 2.353 1.00 0.00 S ATOM 469 CE MET A 32 0.395 11.475 3.499 1.00 0.00 C ATOM 0 H MET A 32 -5.502 9.459 3.090 1.00 0.00 H new ATOM 0 HA MET A 32 -3.778 11.135 1.688 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.674 9.008 3.649 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.439 8.696 2.445 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.788 11.425 3.768 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.734 10.187 4.422 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.887 12.388 3.164 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.032 11.636 4.489 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.124 10.666 3.545 1.00 0.00 H new ATOM 479 N ILE A 33 -4.294 8.229 0.268 1.00 0.00 N ATOM 480 CA ILE A 33 -4.108 7.472 -0.958 1.00 0.00 C ATOM 481 C ILE A 33 -4.801 8.199 -2.112 1.00 0.00 C ATOM 482 O ILE A 33 -4.377 8.094 -3.261 1.00 0.00 O ATOM 483 CB ILE A 33 -4.577 6.027 -0.772 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.806 5.342 0.358 1.00 0.00 C ATOM 485 CG2 ILE A 33 -4.484 5.247 -2.085 1.00 0.00 C ATOM 486 CD1 ILE A 33 -4.524 4.073 0.821 1.00 0.00 C ATOM 0 H ILE A 33 -4.923 7.797 0.945 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.049 7.410 -1.210 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.627 6.043 -0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.801 5.092 0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.697 6.029 1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.823 4.224 -1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.113 5.724 -2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.450 5.237 -2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.955 3.606 1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.520 4.330 1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.610 3.378 -0.014 1.00 0.00 H new ATOM 498 N GLU A 34 -5.856 8.922 -1.765 1.00 0.00 N ATOM 499 CA GLU A 34 -6.612 9.667 -2.757 1.00 0.00 C ATOM 500 C GLU A 34 -5.934 11.008 -3.044 1.00 0.00 C ATOM 501 O GLU A 34 -5.730 11.369 -4.202 1.00 0.00 O ATOM 502 CB GLU A 34 -8.060 9.870 -2.305 1.00 0.00 C ATOM 503 CG GLU A 34 -8.946 8.712 -2.767 1.00 0.00 C ATOM 504 CD GLU A 34 -10.375 9.188 -3.036 1.00 0.00 C ATOM 505 OE1 GLU A 34 -10.618 9.638 -4.176 1.00 0.00 O ATOM 506 OE2 GLU A 34 -11.192 9.092 -2.095 1.00 0.00 O ATOM 0 H GLU A 34 -6.205 9.008 -0.810 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.632 9.087 -3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.098 9.950 -1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.442 10.808 -2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.530 8.270 -3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.956 7.931 -2.006 1.00 0.00 H new ATOM 513 N LYS A 35 -5.604 11.710 -1.970 1.00 0.00 N ATOM 514 CA LYS A 35 -4.953 13.003 -2.092 1.00 0.00 C ATOM 515 C LYS A 35 -3.634 12.836 -2.850 1.00 0.00 C ATOM 516 O LYS A 35 -3.241 13.711 -3.619 1.00 0.00 O ATOM 517 CB LYS A 35 -4.794 13.655 -0.717 1.00 0.00 C ATOM 518 CG LYS A 35 -3.545 14.537 -0.670 1.00 0.00 C ATOM 519 CD LYS A 35 -2.370 13.791 -0.033 1.00 0.00 C ATOM 520 CE LYS A 35 -2.283 14.083 1.466 1.00 0.00 C ATOM 521 NZ LYS A 35 -0.926 14.553 1.824 1.00 0.00 N ATOM 0 H LYS A 35 -5.775 11.408 -1.011 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.571 13.687 -2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.676 14.255 -0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.728 12.883 0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.278 14.849 -1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.756 15.443 -0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.486 12.719 -0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.440 14.087 -0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.020 14.839 1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.524 13.183 2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.772 14.425 2.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.218 14.004 1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.833 15.561 1.584 1.00 0.00 H new ATOM 535 N LEU A 36 -2.987 11.706 -2.605 1.00 0.00 N ATOM 536 CA LEU A 36 -1.721 11.413 -3.255 1.00 0.00 C ATOM 537 C LEU A 36 -1.973 11.078 -4.726 1.00 0.00 C ATOM 538 O LEU A 36 -1.031 10.859 -5.487 1.00 0.00 O ATOM 539 CB LEU A 36 -0.970 10.318 -2.495 1.00 0.00 C ATOM 540 CG LEU A 36 -0.299 10.747 -1.189 1.00 0.00 C ATOM 541 CD1 LEU A 36 0.071 9.531 -0.337 1.00 0.00 C ATOM 542 CD2 LEU A 36 0.909 11.645 -1.462 1.00 0.00 C ATOM 0 H LEU A 36 -3.316 10.983 -1.965 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.071 12.287 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.670 9.512 -2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.206 9.905 -3.154 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.014 11.336 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.546 9.864 0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.830 8.967 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.761 8.895 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.367 11.936 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.636 11.103 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.585 12.537 -1.998 1.00 0.00 H new ATOM 554 N GLY A 37 -3.248 11.049 -5.084 1.00 0.00 N ATOM 555 CA GLY A 37 -3.636 10.744 -6.451 1.00 0.00 C ATOM 556 C GLY A 37 -3.946 9.255 -6.614 1.00 0.00 C ATOM 557 O GLY A 37 -4.459 8.834 -7.649 1.00 0.00 O ATOM 0 H GLY A 37 -4.026 11.232 -4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.511 11.333 -6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.834 11.029 -7.132 1.00 0.00 H new ATOM 561 N GLY A 38 -3.622 8.498 -5.575 1.00 0.00 N ATOM 562 CA GLY A 38 -3.860 7.065 -5.591 1.00 0.00 C ATOM 563 C GLY A 38 -5.334 6.751 -5.332 1.00 0.00 C ATOM 564 O GLY A 38 -6.179 7.644 -5.371 1.00 0.00 O ATOM 0 H GLY A 38 -3.197 8.850 -4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.561 6.654 -6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.243 6.582 -4.833 1.00 0.00 H new ATOM 568 N LYS A 39 -5.599 5.479 -5.073 1.00 0.00 N ATOM 569 CA LYS A 39 -6.957 5.036 -4.807 1.00 0.00 C ATOM 570 C LYS A 39 -6.917 3.757 -3.968 1.00 0.00 C ATOM 571 O LYS A 39 -6.305 2.767 -4.367 1.00 0.00 O ATOM 572 CB LYS A 39 -7.738 4.889 -6.115 1.00 0.00 C ATOM 573 CG LYS A 39 -8.443 6.196 -6.482 1.00 0.00 C ATOM 574 CD LYS A 39 -9.920 5.952 -6.800 1.00 0.00 C ATOM 575 CE LYS A 39 -10.101 5.503 -8.252 1.00 0.00 C ATOM 576 NZ LYS A 39 -11.537 5.454 -8.603 1.00 0.00 N ATOM 0 H LYS A 39 -4.896 4.741 -5.042 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.494 5.784 -4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.059 4.600 -6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.473 4.090 -6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.357 6.904 -5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.952 6.649 -7.343 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.320 5.192 -6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.489 6.865 -6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.581 6.190 -8.919 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.652 4.520 -8.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.643 5.148 -9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.024 4.781 -7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.955 6.399 -8.487 1.00 0.00 H new ATOM 590 N LEU A 40 -7.577 3.819 -2.821 1.00 0.00 N ATOM 591 CA LEU A 40 -7.624 2.678 -1.922 1.00 0.00 C ATOM 592 C LEU A 40 -8.577 1.625 -2.492 1.00 0.00 C ATOM 593 O LEU A 40 -9.636 1.961 -3.019 1.00 0.00 O ATOM 594 CB LEU A 40 -7.981 3.128 -0.504 1.00 0.00 C ATOM 595 CG LEU A 40 -7.805 2.080 0.596 1.00 0.00 C ATOM 596 CD1 LEU A 40 -6.841 2.575 1.676 1.00 0.00 C ATOM 597 CD2 LEU A 40 -9.157 1.665 1.181 1.00 0.00 C ATOM 0 H LEU A 40 -8.084 4.641 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.642 2.212 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.369 3.995 -0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.019 3.459 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.360 1.190 0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.734 1.811 2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.868 2.779 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.234 3.488 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.003 0.919 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.653 2.538 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.780 1.242 0.393 1.00 0.00 H new ATOM 609 N THR A 41 -8.165 0.372 -2.366 1.00 0.00 N ATOM 610 CA THR A 41 -8.969 -0.733 -2.862 1.00 0.00 C ATOM 611 C THR A 41 -9.275 -1.719 -1.732 1.00 0.00 C ATOM 612 O THR A 41 -8.706 -1.619 -0.646 1.00 0.00 O ATOM 613 CB THR A 41 -8.225 -1.368 -4.038 1.00 0.00 C ATOM 614 OG1 THR A 41 -9.038 -2.480 -4.403 1.00 0.00 O ATOM 615 CG2 THR A 41 -6.896 -1.999 -3.619 1.00 0.00 C ATOM 0 H THR A 41 -7.286 0.097 -1.928 1.00 0.00 H new ATOM 0 HA THR A 41 -9.939 -0.387 -3.221 1.00 0.00 H new ATOM 0 HB THR A 41 -8.042 -0.612 -4.802 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.721 -2.852 -5.252 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.409 -2.435 -4.491 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.250 -1.234 -3.187 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.080 -2.778 -2.879 1.00 0.00 H new ATOM 623 N GLY A 42 -10.171 -2.648 -2.028 1.00 0.00 N ATOM 624 CA GLY A 42 -10.559 -3.651 -1.051 1.00 0.00 C ATOM 625 C GLY A 42 -9.800 -4.960 -1.277 1.00 0.00 C ATOM 626 O GLY A 42 -9.259 -5.539 -0.336 1.00 0.00 O ATOM 0 H GLY A 42 -10.640 -2.728 -2.930 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.360 -3.280 -0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.632 -3.832 -1.117 1.00 0.00 H new ATOM 630 N THR A 43 -9.782 -5.388 -2.531 1.00 0.00 N ATOM 631 CA THR A 43 -9.098 -6.617 -2.893 1.00 0.00 C ATOM 632 C THR A 43 -7.593 -6.372 -3.019 1.00 0.00 C ATOM 633 O THR A 43 -7.157 -5.233 -3.177 1.00 0.00 O ATOM 634 CB THR A 43 -9.736 -7.153 -4.176 1.00 0.00 C ATOM 635 OG1 THR A 43 -11.134 -7.134 -3.903 1.00 0.00 O ATOM 636 CG2 THR A 43 -9.422 -8.632 -4.412 1.00 0.00 C ATOM 0 H THR A 43 -10.231 -4.905 -3.309 1.00 0.00 H new ATOM 0 HA THR A 43 -9.208 -7.375 -2.117 1.00 0.00 H new ATOM 0 HB THR A 43 -9.387 -6.568 -5.027 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.632 -7.150 -4.747 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.898 -8.962 -5.335 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.343 -8.767 -4.492 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.800 -9.222 -3.577 1.00 0.00 H new ATOM 644 N ALA A 44 -6.840 -7.460 -2.944 1.00 0.00 N ATOM 645 CA ALA A 44 -5.393 -7.378 -3.048 1.00 0.00 C ATOM 646 C ALA A 44 -4.978 -7.596 -4.504 1.00 0.00 C ATOM 647 O ALA A 44 -4.121 -6.881 -5.023 1.00 0.00 O ATOM 648 CB ALA A 44 -4.755 -8.395 -2.101 1.00 0.00 C ATOM 0 H ALA A 44 -7.205 -8.403 -2.812 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.042 -6.390 -2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.670 -8.334 -2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.058 -8.178 -1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.082 -9.399 -2.371 1.00 0.00 H new ATOM 654 N ASN A 45 -5.603 -8.586 -5.123 1.00 0.00 N ATOM 655 CA ASN A 45 -5.309 -8.907 -6.509 1.00 0.00 C ATOM 656 C ASN A 45 -5.652 -7.705 -7.391 1.00 0.00 C ATOM 657 O ASN A 45 -5.238 -7.641 -8.547 1.00 0.00 O ATOM 658 CB ASN A 45 -6.143 -10.098 -6.988 1.00 0.00 C ATOM 659 CG ASN A 45 -5.251 -11.299 -7.309 1.00 0.00 C ATOM 660 OD1 ASN A 45 -4.587 -11.858 -6.451 1.00 0.00 O ATOM 661 ND2 ASN A 45 -5.272 -11.662 -8.588 1.00 0.00 N ATOM 0 H ASN A 45 -6.313 -9.177 -4.690 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.250 -9.156 -6.579 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.866 -10.373 -6.220 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.711 -9.816 -7.874 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.710 -12.452 -8.903 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.851 -11.150 -9.254 1.00 0.00 H new ATOM 668 N LYS A 46 -6.405 -6.782 -6.810 1.00 0.00 N ATOM 669 CA LYS A 46 -6.808 -5.585 -7.529 1.00 0.00 C ATOM 670 C LYS A 46 -6.177 -4.360 -6.864 1.00 0.00 C ATOM 671 O LYS A 46 -6.833 -3.332 -6.699 1.00 0.00 O ATOM 672 CB LYS A 46 -8.333 -5.511 -7.634 1.00 0.00 C ATOM 673 CG LYS A 46 -8.877 -6.635 -8.517 1.00 0.00 C ATOM 674 CD LYS A 46 -9.438 -7.778 -7.668 1.00 0.00 C ATOM 675 CE LYS A 46 -10.923 -7.561 -7.370 1.00 0.00 C ATOM 676 NZ LYS A 46 -11.735 -7.804 -8.584 1.00 0.00 N ATOM 0 H LYS A 46 -6.746 -6.839 -5.850 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.442 -5.615 -8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.773 -5.580 -6.639 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.626 -4.546 -8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.658 -6.244 -9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.083 -7.012 -9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.303 -8.725 -8.191 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.882 -7.848 -6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.242 -8.231 -6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.084 -6.543 -7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.718 -8.005 -8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.711 -6.961 -9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.348 -8.617 -9.104 1.00 0.00 H new ATOM 690 N ALA A 47 -4.912 -4.509 -6.502 1.00 0.00 N ATOM 691 CA ALA A 47 -4.185 -3.427 -5.859 1.00 0.00 C ATOM 692 C ALA A 47 -2.784 -3.329 -6.465 1.00 0.00 C ATOM 693 O ALA A 47 -2.245 -4.320 -6.955 1.00 0.00 O ATOM 694 CB ALA A 47 -4.151 -3.662 -4.347 1.00 0.00 C ATOM 0 H ALA A 47 -4.371 -5.363 -6.641 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.686 -2.474 -6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.606 -2.851 -3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.170 -3.694 -3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.653 -4.609 -4.137 1.00 0.00 H new ATOM 700 N SER A 48 -2.234 -2.124 -6.413 1.00 0.00 N ATOM 701 CA SER A 48 -0.906 -1.884 -6.951 1.00 0.00 C ATOM 702 C SER A 48 0.140 -2.017 -5.842 1.00 0.00 C ATOM 703 O SER A 48 1.264 -2.448 -6.093 1.00 0.00 O ATOM 704 CB SER A 48 -0.817 -0.502 -7.601 1.00 0.00 C ATOM 705 OG SER A 48 -1.839 -0.303 -8.574 1.00 0.00 O ATOM 0 H SER A 48 -2.684 -1.304 -6.007 1.00 0.00 H new ATOM 0 HA SER A 48 -0.708 -2.631 -7.720 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.894 0.266 -6.832 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.159 -0.385 -8.071 1.00 0.00 H new ATOM 0 HG SER A 48 -1.468 0.173 -9.346 1.00 0.00 H new ATOM 711 N LEU A 49 -0.268 -1.639 -4.639 1.00 0.00 N ATOM 712 CA LEU A 49 0.620 -1.710 -3.491 1.00 0.00 C ATOM 713 C LEU A 49 -0.187 -2.102 -2.252 1.00 0.00 C ATOM 714 O LEU A 49 -1.390 -1.858 -2.187 1.00 0.00 O ATOM 715 CB LEU A 49 1.396 -0.401 -3.331 1.00 0.00 C ATOM 716 CG LEU A 49 1.985 -0.136 -1.944 1.00 0.00 C ATOM 717 CD1 LEU A 49 3.306 -0.884 -1.758 1.00 0.00 C ATOM 718 CD2 LEU A 49 2.135 1.366 -1.690 1.00 0.00 C ATOM 0 H LEU A 49 -1.202 -1.283 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 49 1.374 -2.483 -3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.209 -0.393 -4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.732 0.425 -3.586 1.00 0.00 H new ATOM 0 HG LEU A 49 1.290 -0.521 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.704 -0.679 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.136 -1.955 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.021 -0.552 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.556 1.527 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.798 1.797 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.158 1.845 -1.752 1.00 0.00 H new ATOM 730 N CYS A 50 0.509 -2.704 -1.298 1.00 0.00 N ATOM 731 CA CYS A 50 -0.127 -3.133 -0.064 1.00 0.00 C ATOM 732 C CYS A 50 0.481 -2.336 1.092 1.00 0.00 C ATOM 733 O CYS A 50 1.696 -2.154 1.153 1.00 0.00 O ATOM 734 CB CYS A 50 0.009 -4.642 0.148 1.00 0.00 C ATOM 735 SG CYS A 50 -0.939 -5.154 1.627 1.00 0.00 S ATOM 0 H CYS A 50 1.507 -2.905 -1.355 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.198 -2.936 -0.116 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.355 -5.175 -0.730 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.059 -4.907 0.269 1.00 0.00 H new ATOM 0 HG CYS A 50 -0.652 -6.387 1.921 1.00 0.00 H new ATOM 741 N ILE A 51 -0.391 -1.883 1.980 1.00 0.00 N ATOM 742 CA ILE A 51 0.045 -1.110 3.130 1.00 0.00 C ATOM 743 C ILE A 51 -0.420 -1.805 4.412 1.00 0.00 C ATOM 744 O ILE A 51 -1.553 -1.614 4.850 1.00 0.00 O ATOM 745 CB ILE A 51 -0.427 0.340 3.012 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.199 1.023 1.793 1.00 0.00 C ATOM 747 CG2 ILE A 51 -0.154 1.113 4.304 1.00 0.00 C ATOM 748 CD1 ILE A 51 -0.077 2.528 1.806 1.00 0.00 C ATOM 0 H ILE A 51 -1.398 -2.037 1.926 1.00 0.00 H new ATOM 0 HA ILE A 51 1.133 -1.064 3.167 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.506 0.336 2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.275 0.847 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.202 0.584 0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.499 2.141 4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.684 0.639 5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.916 1.110 4.511 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.378 2.989 0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.153 2.701 1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.347 2.968 2.709 1.00 0.00 H new ATOM 760 N SER A 52 0.479 -2.597 4.977 1.00 0.00 N ATOM 761 CA SER A 52 0.175 -3.322 6.199 1.00 0.00 C ATOM 762 C SER A 52 1.329 -3.178 7.193 1.00 0.00 C ATOM 763 O SER A 52 2.255 -2.401 6.967 1.00 0.00 O ATOM 764 CB SER A 52 -0.096 -4.800 5.911 1.00 0.00 C ATOM 765 OG SER A 52 -0.973 -5.379 6.872 1.00 0.00 O ATOM 0 H SER A 52 1.418 -2.753 4.611 1.00 0.00 H new ATOM 0 HA SER A 52 -0.728 -2.894 6.635 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.530 -4.902 4.916 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.847 -5.347 5.905 1.00 0.00 H new ATOM 0 HG SER A 52 -1.277 -4.687 7.496 1.00 0.00 H new ATOM 771 N THR A 53 1.236 -3.940 8.273 1.00 0.00 N ATOM 772 CA THR A 53 2.261 -3.908 9.302 1.00 0.00 C ATOM 773 C THR A 53 3.109 -5.180 9.252 1.00 0.00 C ATOM 774 O THR A 53 2.726 -6.160 8.615 1.00 0.00 O ATOM 775 CB THR A 53 1.571 -3.691 10.650 1.00 0.00 C ATOM 776 OG1 THR A 53 0.679 -4.796 10.765 1.00 0.00 O ATOM 777 CG2 THR A 53 0.651 -2.468 10.647 1.00 0.00 C ATOM 0 H THR A 53 0.466 -4.583 8.458 1.00 0.00 H new ATOM 0 HA THR A 53 2.957 -3.085 9.140 1.00 0.00 H new ATOM 0 HB THR A 53 2.325 -3.576 11.429 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.191 -4.736 11.613 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.187 -2.360 11.627 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.234 -1.575 10.421 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.123 -2.597 9.891 1.00 0.00 H new ATOM 785 N LYS A 54 4.245 -5.124 9.931 1.00 0.00 N ATOM 786 CA LYS A 54 5.150 -6.260 9.972 1.00 0.00 C ATOM 787 C LYS A 54 4.392 -7.493 10.469 1.00 0.00 C ATOM 788 O LYS A 54 4.375 -8.526 9.802 1.00 0.00 O ATOM 789 CB LYS A 54 6.392 -5.926 10.800 1.00 0.00 C ATOM 790 CG LYS A 54 7.226 -7.181 11.068 1.00 0.00 C ATOM 791 CD LYS A 54 8.675 -6.983 10.617 1.00 0.00 C ATOM 792 CE LYS A 54 8.866 -7.441 9.171 1.00 0.00 C ATOM 793 NZ LYS A 54 10.287 -7.319 8.772 1.00 0.00 N ATOM 0 H LYS A 54 4.560 -4.309 10.458 1.00 0.00 H new ATOM 0 HA LYS A 54 5.516 -6.492 8.972 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.997 -5.188 10.273 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.092 -5.475 11.746 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.202 -7.418 12.132 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.790 -8.031 10.542 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.948 -5.932 10.708 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.343 -7.543 11.271 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.540 -8.476 9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.243 -6.841 8.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.399 -7.634 7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.587 -6.327 8.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.874 -7.911 9.394 1.00 0.00 H new ATOM 807 N LYS A 55 3.784 -7.343 11.636 1.00 0.00 N ATOM 808 CA LYS A 55 3.027 -8.431 12.231 1.00 0.00 C ATOM 809 C LYS A 55 2.255 -9.168 11.134 1.00 0.00 C ATOM 810 O LYS A 55 2.538 -10.329 10.844 1.00 0.00 O ATOM 811 CB LYS A 55 2.140 -7.911 13.363 1.00 0.00 C ATOM 812 CG LYS A 55 1.397 -9.059 14.050 1.00 0.00 C ATOM 813 CD LYS A 55 2.308 -9.788 15.039 1.00 0.00 C ATOM 814 CE LYS A 55 1.838 -11.227 15.260 1.00 0.00 C ATOM 815 NZ LYS A 55 0.982 -11.314 16.464 1.00 0.00 N ATOM 0 H LYS A 55 3.800 -6.484 12.186 1.00 0.00 H new ATOM 0 HA LYS A 55 3.699 -9.155 12.691 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.750 -7.380 14.093 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.421 -7.194 12.966 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.524 -8.670 14.573 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.033 -9.761 13.300 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.331 -9.790 14.663 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.319 -9.255 15.990 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.284 -11.573 14.387 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.700 -11.884 15.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.672 -12.297 16.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.522 -11.004 17.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.150 -10.702 16.343 1.00 0.00 H new ATOM 829 N GLU A 56 1.295 -8.463 10.555 1.00 0.00 N ATOM 830 CA GLU A 56 0.480 -9.035 9.497 1.00 0.00 C ATOM 831 C GLU A 56 1.342 -9.894 8.569 1.00 0.00 C ATOM 832 O GLU A 56 1.126 -11.100 8.455 1.00 0.00 O ATOM 833 CB GLU A 56 -0.248 -7.942 8.712 1.00 0.00 C ATOM 834 CG GLU A 56 -1.764 -8.130 8.787 1.00 0.00 C ATOM 835 CD GLU A 56 -2.177 -9.488 8.215 1.00 0.00 C ATOM 836 OE1 GLU A 56 -1.375 -10.041 7.431 1.00 0.00 O ATOM 837 OE2 GLU A 56 -3.285 -9.942 8.574 1.00 0.00 O ATOM 0 H GLU A 56 1.063 -7.500 10.799 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.277 -9.673 9.954 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.021 -6.963 9.110 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.073 -7.962 7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.093 -8.053 9.823 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.261 -7.332 8.235 1.00 0.00 H new ATOM 844 N VAL A 57 2.300 -9.240 7.930 1.00 0.00 N ATOM 845 CA VAL A 57 3.196 -9.929 7.016 1.00 0.00 C ATOM 846 C VAL A 57 3.747 -11.183 7.697 1.00 0.00 C ATOM 847 O VAL A 57 3.903 -12.223 7.059 1.00 0.00 O ATOM 848 CB VAL A 57 4.293 -8.975 6.541 1.00 0.00 C ATOM 849 CG1 VAL A 57 5.076 -9.578 5.372 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.710 -7.611 6.165 1.00 0.00 C ATOM 0 H VAL A 57 2.476 -8.240 8.027 1.00 0.00 H new ATOM 0 HA VAL A 57 2.658 -10.253 6.125 1.00 0.00 H new ATOM 0 HB VAL A 57 4.987 -8.826 7.368 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.850 -8.879 5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.539 -10.513 5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.398 -9.772 4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.512 -6.952 5.831 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.983 -7.735 5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.219 -7.173 7.034 1.00 0.00 H new ATOM 860 N GLU A 58 4.027 -11.044 8.985 1.00 0.00 N ATOM 861 CA GLU A 58 4.557 -12.152 9.760 1.00 0.00 C ATOM 862 C GLU A 58 3.464 -13.193 10.015 1.00 0.00 C ATOM 863 O GLU A 58 3.758 -14.369 10.219 1.00 0.00 O ATOM 864 CB GLU A 58 5.164 -11.661 11.075 1.00 0.00 C ATOM 865 CG GLU A 58 6.637 -11.290 10.894 1.00 0.00 C ATOM 866 CD GLU A 58 7.410 -11.459 12.204 1.00 0.00 C ATOM 867 OE1 GLU A 58 7.432 -10.479 12.980 1.00 0.00 O ATOM 868 OE2 GLU A 58 7.961 -12.564 12.400 1.00 0.00 O ATOM 0 H GLU A 58 3.896 -10.180 9.511 1.00 0.00 H new ATOM 0 HA GLU A 58 5.353 -12.624 9.184 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.609 -10.795 11.435 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.071 -12.437 11.835 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.082 -11.918 10.122 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.716 -10.258 10.551 1.00 0.00 H new ATOM 875 N LYS A 59 2.226 -12.721 9.994 1.00 0.00 N ATOM 876 CA LYS A 59 1.088 -13.595 10.220 1.00 0.00 C ATOM 877 C LYS A 59 0.718 -14.293 8.910 1.00 0.00 C ATOM 878 O LYS A 59 0.337 -15.462 8.911 1.00 0.00 O ATOM 879 CB LYS A 59 -0.068 -12.817 10.851 1.00 0.00 C ATOM 880 CG LYS A 59 -1.365 -13.033 10.069 1.00 0.00 C ATOM 881 CD LYS A 59 -2.579 -12.588 10.888 1.00 0.00 C ATOM 882 CE LYS A 59 -2.558 -11.077 11.124 1.00 0.00 C ATOM 883 NZ LYS A 59 -3.936 -10.539 11.162 1.00 0.00 N ATOM 0 H LYS A 59 1.986 -11.744 9.824 1.00 0.00 H new ATOM 0 HA LYS A 59 1.344 -14.376 10.936 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.205 -13.136 11.884 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.174 -11.754 10.875 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.328 -12.474 9.134 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.465 -14.086 9.807 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.495 -12.865 10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.587 -13.109 11.845 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.049 -10.857 12.062 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.992 -10.587 10.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.999 -9.796 11.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.178 -10.138 10.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.601 -11.304 11.393 1.00 0.00 H new ATOM 897 N MET A 60 0.841 -13.545 7.823 1.00 0.00 N ATOM 898 CA MET A 60 0.524 -14.076 6.509 1.00 0.00 C ATOM 899 C MET A 60 -0.929 -14.552 6.446 1.00 0.00 C ATOM 900 O MET A 60 -1.193 -15.710 6.126 1.00 0.00 O ATOM 901 CB MET A 60 1.458 -15.245 6.191 1.00 0.00 C ATOM 902 CG MET A 60 2.725 -14.758 5.485 1.00 0.00 C ATOM 903 SD MET A 60 2.510 -14.845 3.715 1.00 0.00 S ATOM 904 CE MET A 60 2.094 -13.144 3.370 1.00 0.00 C ATOM 0 H MET A 60 1.156 -12.575 7.826 1.00 0.00 H new ATOM 0 HA MET A 60 0.659 -13.282 5.775 1.00 0.00 H new ATOM 0 HB2 MET A 60 1.727 -15.762 7.112 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.940 -15.967 5.560 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.946 -13.733 5.783 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.576 -15.368 5.787 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.254 -12.938 2.312 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.048 -12.967 3.620 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.725 -12.487 3.968 1.00 0.00 H new ATOM 914 N ASN A 61 -1.833 -13.634 6.756 1.00 0.00 N ATOM 915 CA ASN A 61 -3.252 -13.945 6.738 1.00 0.00 C ATOM 916 C ASN A 61 -3.724 -14.071 5.289 1.00 0.00 C ATOM 917 O ASN A 61 -2.974 -13.776 4.360 1.00 0.00 O ATOM 918 CB ASN A 61 -4.067 -12.837 7.407 1.00 0.00 C ATOM 919 CG ASN A 61 -5.466 -13.333 7.779 1.00 0.00 C ATOM 920 OD1 ASN A 61 -5.640 -14.232 8.585 1.00 0.00 O ATOM 921 ND2 ASN A 61 -6.450 -12.698 7.149 1.00 0.00 N ATOM 0 H ASN A 61 -1.610 -12.675 7.021 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.399 -14.879 7.281 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.550 -12.491 8.302 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.147 -11.983 6.734 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.420 -12.955 7.329 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.234 -11.954 6.486 1.00 0.00 H new ATOM 928 N LYS A 62 -4.966 -14.508 5.140 1.00 0.00 N ATOM 929 CA LYS A 62 -5.547 -14.676 3.819 1.00 0.00 C ATOM 930 C LYS A 62 -5.360 -13.387 3.017 1.00 0.00 C ATOM 931 O LYS A 62 -4.900 -13.423 1.877 1.00 0.00 O ATOM 932 CB LYS A 62 -7.006 -15.126 3.929 1.00 0.00 C ATOM 933 CG LYS A 62 -7.271 -16.348 3.047 1.00 0.00 C ATOM 934 CD LYS A 62 -7.205 -17.639 3.866 1.00 0.00 C ATOM 935 CE LYS A 62 -6.475 -18.741 3.095 1.00 0.00 C ATOM 936 NZ LYS A 62 -7.340 -19.933 2.951 1.00 0.00 N ATOM 0 H LYS A 62 -5.586 -14.751 5.913 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.033 -15.468 3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.239 -15.365 4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.665 -14.310 3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.252 -16.259 2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.537 -16.386 2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.693 -17.450 4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.214 -17.970 4.112 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.185 -18.374 2.111 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.557 -19.011 3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.829 -20.671 2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.595 -20.292 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.204 -19.674 2.433 1.00 0.00 H new ATOM 950 N LYS A 63 -5.727 -12.279 3.644 1.00 0.00 N ATOM 951 CA LYS A 63 -5.605 -10.981 3.002 1.00 0.00 C ATOM 952 C LYS A 63 -4.171 -10.797 2.502 1.00 0.00 C ATOM 953 O LYS A 63 -3.955 -10.428 1.348 1.00 0.00 O ATOM 954 CB LYS A 63 -6.075 -9.871 3.944 1.00 0.00 C ATOM 955 CG LYS A 63 -7.601 -9.759 3.942 1.00 0.00 C ATOM 956 CD LYS A 63 -8.052 -8.424 3.346 1.00 0.00 C ATOM 957 CE LYS A 63 -8.331 -8.560 1.848 1.00 0.00 C ATOM 958 NZ LYS A 63 -7.710 -7.443 1.102 1.00 0.00 N ATOM 0 H LYS A 63 -6.109 -12.253 4.589 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.257 -10.925 2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.723 -10.074 4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.637 -8.921 3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.029 -10.581 3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.977 -9.852 4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.950 -8.078 3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.282 -7.670 3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.940 -9.510 1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.407 -8.569 1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.388 -7.070 0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.444 -6.688 1.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.861 -7.785 0.608 1.00 0.00 H new ATOM 972 N MET A 64 -3.228 -11.063 3.394 1.00 0.00 N ATOM 973 CA MET A 64 -1.821 -10.931 3.057 1.00 0.00 C ATOM 974 C MET A 64 -1.375 -12.051 2.115 1.00 0.00 C ATOM 975 O MET A 64 -0.312 -11.965 1.502 1.00 0.00 O ATOM 976 CB MET A 64 -0.983 -10.976 4.337 1.00 0.00 C ATOM 977 CG MET A 64 0.433 -10.455 4.084 1.00 0.00 C ATOM 978 SD MET A 64 0.368 -8.766 3.511 1.00 0.00 S ATOM 979 CE MET A 64 -0.152 -7.949 5.011 1.00 0.00 C ATOM 0 H MET A 64 -3.411 -11.369 4.350 1.00 0.00 H new ATOM 0 HA MET A 64 -1.676 -9.977 2.550 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.462 -10.376 5.111 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.937 -11.999 4.710 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.020 -10.515 5.000 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.933 -11.080 3.344 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.838 -7.138 4.765 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.656 -8.666 5.660 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.719 -7.544 5.525 1.00 0.00 H new ATOM 989 N GLU A 65 -2.210 -13.076 2.030 1.00 0.00 N ATOM 990 CA GLU A 65 -1.915 -14.212 1.174 1.00 0.00 C ATOM 991 C GLU A 65 -2.357 -13.923 -0.262 1.00 0.00 C ATOM 992 O GLU A 65 -1.994 -14.650 -1.186 1.00 0.00 O ATOM 993 CB GLU A 65 -2.576 -15.486 1.704 1.00 0.00 C ATOM 994 CG GLU A 65 -1.853 -16.001 2.950 1.00 0.00 C ATOM 995 CD GLU A 65 -1.495 -17.481 2.803 1.00 0.00 C ATOM 996 OE1 GLU A 65 -1.071 -17.855 1.688 1.00 0.00 O ATOM 997 OE2 GLU A 65 -1.652 -18.206 3.810 1.00 0.00 O ATOM 0 H GLU A 65 -3.091 -13.143 2.540 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.837 -14.373 1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.621 -15.286 1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.567 -16.254 0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.947 -15.419 3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.486 -15.862 3.826 1.00 0.00 H new ATOM 1004 N GLU A 66 -3.133 -12.859 -0.406 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.628 -12.464 -1.714 1.00 0.00 C ATOM 1006 C GLU A 66 -2.629 -11.529 -2.399 1.00 0.00 C ATOM 1007 O GLU A 66 -2.520 -11.523 -3.624 1.00 0.00 O ATOM 1008 CB GLU A 66 -5.005 -11.808 -1.604 1.00 0.00 C ATOM 1009 CG GLU A 66 -6.021 -12.767 -0.979 1.00 0.00 C ATOM 1010 CD GLU A 66 -6.840 -13.477 -2.059 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -7.242 -12.781 -3.016 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -7.047 -14.700 -1.902 1.00 0.00 O ATOM 0 H GLU A 66 -3.431 -12.258 0.362 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.736 -13.360 -2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.934 -10.904 -1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.347 -11.504 -2.593 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.502 -13.505 -0.367 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.687 -12.215 -0.316 1.00 0.00 H new ATOM 1019 N VAL A 67 -1.925 -10.763 -1.579 1.00 0.00 N ATOM 1020 CA VAL A 67 -0.939 -9.827 -2.091 1.00 0.00 C ATOM 1021 C VAL A 67 0.351 -10.581 -2.421 1.00 0.00 C ATOM 1022 O VAL A 67 1.077 -10.203 -3.339 1.00 0.00 O ATOM 1023 CB VAL A 67 -0.727 -8.690 -1.089 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -1.908 -8.585 -0.121 1.00 0.00 C ATOM 1025 CG2 VAL A 67 0.590 -8.865 -0.331 1.00 0.00 C ATOM 0 H VAL A 67 -2.018 -10.771 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.292 -9.367 -3.014 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.669 -7.757 -1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.732 -7.769 0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.822 -8.390 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.012 -9.520 0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.716 -8.044 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.575 -9.810 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.419 -8.866 -1.038 1.00 0.00 H new ATOM 1035 N LYS A 68 0.596 -11.633 -1.654 1.00 0.00 N ATOM 1036 CA LYS A 68 1.786 -12.443 -1.853 1.00 0.00 C ATOM 1037 C LYS A 68 1.705 -13.133 -3.216 1.00 0.00 C ATOM 1038 O LYS A 68 2.731 -13.434 -3.825 1.00 0.00 O ATOM 1039 CB LYS A 68 1.976 -13.411 -0.683 1.00 0.00 C ATOM 1040 CG LYS A 68 3.315 -14.144 -0.791 1.00 0.00 C ATOM 1041 CD LYS A 68 3.909 -14.408 0.594 1.00 0.00 C ATOM 1042 CE LYS A 68 5.292 -15.052 0.484 1.00 0.00 C ATOM 1043 NZ LYS A 68 5.209 -16.337 -0.246 1.00 0.00 N ATOM 0 H LYS A 68 -0.009 -11.943 -0.894 1.00 0.00 H new ATOM 0 HA LYS A 68 2.677 -11.816 -1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.932 -12.863 0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.161 -14.135 -0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.175 -15.089 -1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.012 -13.550 -1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.983 -13.471 1.146 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.244 -15.060 1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.974 -14.377 -0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.702 -15.219 1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.097 -16.864 -0.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.419 -16.899 0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.052 -16.152 -1.257 1.00 0.00 H new ATOM 1057 N GLU A 69 0.476 -13.365 -3.655 1.00 0.00 N ATOM 1058 CA GLU A 69 0.249 -14.014 -4.934 1.00 0.00 C ATOM 1059 C GLU A 69 0.435 -13.014 -6.077 1.00 0.00 C ATOM 1060 O GLU A 69 0.985 -13.356 -7.123 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.141 -14.653 -4.985 1.00 0.00 C ATOM 1062 CG GLU A 69 -1.483 -15.328 -3.656 1.00 0.00 C ATOM 1063 CD GLU A 69 -1.656 -16.837 -3.836 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -0.635 -17.494 -4.132 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -2.806 -17.300 -3.673 1.00 0.00 O ATOM 0 H GLU A 69 -0.372 -13.115 -3.147 1.00 0.00 H new ATOM 0 HA GLU A 69 0.984 -14.810 -5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.887 -13.892 -5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.178 -15.387 -5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.693 -15.133 -2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.400 -14.899 -3.251 1.00 0.00 H new ATOM 1072 N ALA A 70 -0.035 -11.798 -5.840 1.00 0.00 N ATOM 1073 CA ALA A 70 0.072 -10.746 -6.836 1.00 0.00 C ATOM 1074 C ALA A 70 1.435 -10.063 -6.706 1.00 0.00 C ATOM 1075 O ALA A 70 1.683 -9.038 -7.338 1.00 0.00 O ATOM 1076 CB ALA A 70 -1.090 -9.765 -6.670 1.00 0.00 C ATOM 0 H ALA A 70 -0.491 -11.518 -4.972 1.00 0.00 H new ATOM 0 HA ALA A 70 0.006 -11.162 -7.841 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.009 -8.976 -7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.034 -10.294 -6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.056 -9.325 -5.673 1.00 0.00 H new ATOM 1082 N ASN A 71 2.284 -10.660 -5.881 1.00 0.00 N ATOM 1083 CA ASN A 71 3.615 -10.122 -5.660 1.00 0.00 C ATOM 1084 C ASN A 71 3.514 -8.621 -5.381 1.00 0.00 C ATOM 1085 O ASN A 71 4.223 -7.823 -5.993 1.00 0.00 O ATOM 1086 CB ASN A 71 4.500 -10.316 -6.893 1.00 0.00 C ATOM 1087 CG ASN A 71 5.903 -10.778 -6.495 1.00 0.00 C ATOM 1088 OD1 ASN A 71 6.084 -11.755 -5.787 1.00 0.00 O ATOM 1089 ND2 ASN A 71 6.881 -10.024 -6.987 1.00 0.00 N ATOM 0 H ASN A 71 2.075 -11.511 -5.358 1.00 0.00 H new ATOM 0 HA ASN A 71 4.056 -10.650 -4.814 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.047 -11.051 -7.558 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.565 -9.381 -7.449 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.853 -10.250 -6.778 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.659 -9.220 -7.574 1.00 0.00 H new ATOM 1096 N ILE A 72 2.628 -8.281 -4.457 1.00 0.00 N ATOM 1097 CA ILE A 72 2.425 -6.890 -4.089 1.00 0.00 C ATOM 1098 C ILE A 72 3.264 -6.567 -2.851 1.00 0.00 C ATOM 1099 O ILE A 72 2.961 -7.032 -1.753 1.00 0.00 O ATOM 1100 CB ILE A 72 0.934 -6.593 -3.918 1.00 0.00 C ATOM 1101 CG1 ILE A 72 0.193 -6.719 -5.250 1.00 0.00 C ATOM 1102 CG2 ILE A 72 0.719 -5.224 -3.270 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.322 -6.744 -5.035 1.00 0.00 C ATOM 0 H ILE A 72 2.042 -8.945 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 72 2.767 -6.231 -4.887 1.00 0.00 H new ATOM 0 HB ILE A 72 0.513 -7.339 -3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.458 -5.884 -5.898 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.507 -7.630 -5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.349 -5.037 -3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.193 -5.207 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.159 -4.450 -3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.825 -6.834 -5.998 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.586 -7.595 -4.407 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.636 -5.821 -4.547 1.00 0.00 H new ATOM 1115 N ARG A 73 4.301 -5.772 -3.069 1.00 0.00 N ATOM 1116 CA ARG A 73 5.185 -5.381 -1.984 1.00 0.00 C ATOM 1117 C ARG A 73 4.381 -4.753 -0.844 1.00 0.00 C ATOM 1118 O ARG A 73 3.639 -3.795 -1.058 1.00 0.00 O ATOM 1119 CB ARG A 73 6.240 -4.383 -2.466 1.00 0.00 C ATOM 1120 CG ARG A 73 5.644 -2.982 -2.609 1.00 0.00 C ATOM 1121 CD ARG A 73 6.571 -2.071 -3.417 1.00 0.00 C ATOM 1122 NE ARG A 73 6.137 -2.034 -4.831 1.00 0.00 N ATOM 1123 CZ ARG A 73 6.891 -1.568 -5.836 1.00 0.00 C ATOM 1124 NH1 ARG A 73 8.121 -1.096 -5.588 1.00 0.00 N ATOM 1125 NH2 ARG A 73 6.415 -1.572 -7.089 1.00 0.00 N ATOM 0 H ARG A 73 4.549 -5.388 -3.981 1.00 0.00 H new ATOM 0 HA ARG A 73 5.688 -6.279 -1.626 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.071 -4.358 -1.761 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.644 -4.710 -3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.672 -3.045 -3.099 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.476 -2.552 -1.622 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.561 -1.065 -2.998 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.597 -2.433 -3.352 1.00 0.00 H new ATOM 0 HE ARG A 73 5.206 -2.385 -5.055 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.483 -1.092 -4.634 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.695 -0.741 -6.353 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.479 -1.930 -7.278 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.989 -1.217 -7.854 1.00 0.00 H new ATOM 1139 N VAL A 74 4.555 -5.317 0.342 1.00 0.00 N ATOM 1140 CA VAL A 74 3.855 -4.823 1.515 1.00 0.00 C ATOM 1141 C VAL A 74 4.730 -3.791 2.229 1.00 0.00 C ATOM 1142 O VAL A 74 5.802 -4.123 2.733 1.00 0.00 O ATOM 1143 CB VAL A 74 3.455 -5.993 2.416 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.395 -5.565 3.433 1.00 0.00 C ATOM 1145 CG2 VAL A 74 2.969 -7.183 1.586 1.00 0.00 C ATOM 0 H VAL A 74 5.171 -6.111 0.516 1.00 0.00 H new ATOM 0 HA VAL A 74 2.931 -4.322 1.226 1.00 0.00 H new ATOM 0 HB VAL A 74 4.341 -6.308 2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.129 -6.415 4.061 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.792 -4.764 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.509 -5.210 2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.691 -8.001 2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.103 -6.885 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.767 -7.512 0.920 1.00 0.00 H new ATOM 1155 N VAL A 75 4.240 -2.560 2.251 1.00 0.00 N ATOM 1156 CA VAL A 75 4.964 -1.478 2.895 1.00 0.00 C ATOM 1157 C VAL A 75 4.139 -0.945 4.068 1.00 0.00 C ATOM 1158 O VAL A 75 2.991 -1.344 4.256 1.00 0.00 O ATOM 1159 CB VAL A 75 5.311 -0.397 1.869 1.00 0.00 C ATOM 1160 CG1 VAL A 75 6.059 -0.994 0.675 1.00 0.00 C ATOM 1161 CG2 VAL A 75 4.055 0.349 1.412 1.00 0.00 C ATOM 0 H VAL A 75 3.350 -2.288 1.833 1.00 0.00 H new ATOM 0 HA VAL A 75 5.909 -1.839 3.300 1.00 0.00 H new ATOM 0 HB VAL A 75 5.971 0.323 2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.294 -0.205 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.983 -1.458 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.434 -1.745 0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.330 1.112 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.359 -0.355 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.580 0.823 2.271 1.00 0.00 H new ATOM 1171 N SER A 76 4.757 -0.053 4.828 1.00 0.00 N ATOM 1172 CA SER A 76 4.094 0.538 5.978 1.00 0.00 C ATOM 1173 C SER A 76 3.388 1.832 5.567 1.00 0.00 C ATOM 1174 O SER A 76 3.341 2.170 4.386 1.00 0.00 O ATOM 1175 CB SER A 76 5.089 0.811 7.107 1.00 0.00 C ATOM 1176 OG SER A 76 4.436 1.199 8.312 1.00 0.00 O ATOM 0 H SER A 76 5.710 0.275 4.670 1.00 0.00 H new ATOM 0 HA SER A 76 3.353 -0.171 6.347 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.685 -0.083 7.289 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.779 1.597 6.800 1.00 0.00 H new ATOM 0 HG SER A 76 5.105 1.363 9.009 1.00 0.00 H new ATOM 1182 N GLU A 77 2.857 2.521 6.566 1.00 0.00 N ATOM 1183 CA GLU A 77 2.156 3.771 6.324 1.00 0.00 C ATOM 1184 C GLU A 77 3.157 4.909 6.112 1.00 0.00 C ATOM 1185 O GLU A 77 2.869 5.869 5.401 1.00 0.00 O ATOM 1186 CB GLU A 77 1.196 4.092 7.471 1.00 0.00 C ATOM 1187 CG GLU A 77 -0.183 4.484 6.937 1.00 0.00 C ATOM 1188 CD GLU A 77 -0.806 5.593 7.789 1.00 0.00 C ATOM 1189 OE1 GLU A 77 -0.821 5.417 9.026 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -1.252 6.591 7.183 1.00 0.00 O ATOM 0 H GLU A 77 2.898 2.238 7.545 1.00 0.00 H new ATOM 0 HA GLU A 77 1.562 3.662 5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.104 3.226 8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.602 4.905 8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.095 4.820 5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.837 3.612 6.934 1.00 0.00 H new ATOM 1197 N ASP A 78 4.313 4.762 6.743 1.00 0.00 N ATOM 1198 CA ASP A 78 5.358 5.766 6.633 1.00 0.00 C ATOM 1199 C ASP A 78 5.538 6.149 5.163 1.00 0.00 C ATOM 1200 O ASP A 78 5.655 7.328 4.835 1.00 0.00 O ATOM 1201 CB ASP A 78 6.694 5.228 7.149 1.00 0.00 C ATOM 1202 CG ASP A 78 7.290 5.999 8.328 1.00 0.00 C ATOM 1203 OD1 ASP A 78 6.597 6.920 8.812 1.00 0.00 O ATOM 1204 OD2 ASP A 78 8.425 5.651 8.719 1.00 0.00 O ATOM 0 H ASP A 78 4.549 3.963 7.332 1.00 0.00 H new ATOM 0 HA ASP A 78 5.062 6.629 7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.559 4.188 7.446 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.412 5.235 6.329 1.00 0.00 H new ATOM 1209 N PHE A 79 5.554 5.129 4.316 1.00 0.00 N ATOM 1210 CA PHE A 79 5.718 5.344 2.889 1.00 0.00 C ATOM 1211 C PHE A 79 4.851 6.509 2.407 1.00 0.00 C ATOM 1212 O PHE A 79 5.262 7.275 1.536 1.00 0.00 O ATOM 1213 CB PHE A 79 5.264 4.062 2.188 1.00 0.00 C ATOM 1214 CG PHE A 79 4.814 4.270 0.741 1.00 0.00 C ATOM 1215 CD1 PHE A 79 5.733 4.272 -0.263 1.00 0.00 C ATOM 1216 CD2 PHE A 79 3.497 4.452 0.457 1.00 0.00 C ATOM 1217 CE1 PHE A 79 5.316 4.465 -1.606 1.00 0.00 C ATOM 1218 CE2 PHE A 79 3.080 4.645 -0.887 1.00 0.00 C ATOM 1219 CZ PHE A 79 3.998 4.647 -1.890 1.00 0.00 C ATOM 0 H PHE A 79 5.456 4.152 4.592 1.00 0.00 H new ATOM 0 HA PHE A 79 6.758 5.583 2.666 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.083 3.342 2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.442 3.622 2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.779 4.127 -0.038 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.768 4.450 1.254 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.045 4.467 -2.403 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.034 4.790 -1.112 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.681 4.793 -2.912 1.00 0.00 H new ATOM 1229 N LEU A 80 3.668 6.607 2.994 1.00 0.00 N ATOM 1230 CA LEU A 80 2.739 7.666 2.636 1.00 0.00 C ATOM 1231 C LEU A 80 3.312 9.013 3.083 1.00 0.00 C ATOM 1232 O LEU A 80 3.270 9.988 2.334 1.00 0.00 O ATOM 1233 CB LEU A 80 1.348 7.371 3.199 1.00 0.00 C ATOM 1234 CG LEU A 80 0.554 6.275 2.486 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.624 5.806 3.342 1.00 0.00 C ATOM 1236 CD2 LEU A 80 0.105 6.737 1.098 1.00 0.00 C ATOM 0 H LEU A 80 3.331 5.970 3.716 1.00 0.00 H new ATOM 0 HA LEU A 80 2.615 7.715 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.454 7.092 4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.764 8.291 3.172 1.00 0.00 H new ATOM 0 HG LEU A 80 1.210 5.417 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.172 5.027 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.252 5.409 4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.289 6.647 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.457 5.939 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.528 7.619 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.980 6.982 0.496 1.00 0.00 H new ATOM 1248 N GLN A 81 3.832 9.023 4.301 1.00 0.00 N ATOM 1249 CA GLN A 81 4.412 10.235 4.856 1.00 0.00 C ATOM 1250 C GLN A 81 5.663 10.633 4.071 1.00 0.00 C ATOM 1251 O GLN A 81 6.047 11.801 4.059 1.00 0.00 O ATOM 1252 CB GLN A 81 4.730 10.059 6.342 1.00 0.00 C ATOM 1253 CG GLN A 81 5.789 11.064 6.799 1.00 0.00 C ATOM 1254 CD GLN A 81 5.278 12.499 6.662 1.00 0.00 C ATOM 1255 OE1 GLN A 81 4.403 12.801 5.867 1.00 0.00 O ATOM 1256 NE2 GLN A 81 5.871 13.365 7.480 1.00 0.00 N ATOM 0 H GLN A 81 3.864 8.212 4.919 1.00 0.00 H new ATOM 0 HA GLN A 81 3.681 11.038 4.767 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.822 10.190 6.930 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.084 9.044 6.524 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.058 10.868 7.837 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.695 10.938 6.206 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.597 13.046 8.122 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.600 14.348 7.465 1.00 0.00 H new ATOM 1265 N ASP A 82 6.264 9.638 3.434 1.00 0.00 N ATOM 1266 CA ASP A 82 7.464 9.870 2.648 1.00 0.00 C ATOM 1267 C ASP A 82 7.068 10.225 1.213 1.00 0.00 C ATOM 1268 O ASP A 82 7.425 11.291 0.713 1.00 0.00 O ATOM 1269 CB ASP A 82 8.342 8.618 2.600 1.00 0.00 C ATOM 1270 CG ASP A 82 9.264 8.428 3.806 1.00 0.00 C ATOM 1271 OD1 ASP A 82 8.719 8.204 4.908 1.00 0.00 O ATOM 1272 OD2 ASP A 82 10.494 8.512 3.599 1.00 0.00 O ATOM 0 H ASP A 82 5.942 8.670 3.446 1.00 0.00 H new ATOM 0 HA ASP A 82 8.020 10.683 3.115 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.697 7.743 2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.952 8.655 1.697 1.00 0.00 H new ATOM 1277 N VAL A 83 6.336 9.312 0.592 1.00 0.00 N ATOM 1278 CA VAL A 83 5.888 9.515 -0.775 1.00 0.00 C ATOM 1279 C VAL A 83 5.240 10.896 -0.895 1.00 0.00 C ATOM 1280 O VAL A 83 5.237 11.493 -1.970 1.00 0.00 O ATOM 1281 CB VAL A 83 4.954 8.378 -1.194 1.00 0.00 C ATOM 1282 CG1 VAL A 83 3.572 8.542 -0.559 1.00 0.00 C ATOM 1283 CG2 VAL A 83 4.851 8.287 -2.718 1.00 0.00 C ATOM 0 H VAL A 83 6.042 8.430 1.011 1.00 0.00 H new ATOM 0 HA VAL A 83 6.734 9.492 -1.462 1.00 0.00 H new ATOM 0 HB VAL A 83 5.380 7.443 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.928 7.721 -0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.667 8.534 0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.135 9.488 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.181 7.471 -2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.459 9.224 -3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.839 8.101 -3.139 1.00 0.00 H new ATOM 1293 N SER A 84 4.707 11.363 0.225 1.00 0.00 N ATOM 1294 CA SER A 84 4.058 12.662 0.259 1.00 0.00 C ATOM 1295 C SER A 84 5.076 13.747 0.614 1.00 0.00 C ATOM 1296 O SER A 84 4.995 14.868 0.113 1.00 0.00 O ATOM 1297 CB SER A 84 2.899 12.673 1.258 1.00 0.00 C ATOM 1298 OG SER A 84 2.010 13.764 1.034 1.00 0.00 O ATOM 0 H SER A 84 4.712 10.865 1.115 1.00 0.00 H new ATOM 0 HA SER A 84 3.650 12.866 -0.731 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.348 11.736 1.184 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.295 12.731 2.272 1.00 0.00 H new ATOM 0 HG SER A 84 1.726 14.137 1.895 1.00 0.00 H new ATOM 1304 N ALA A 85 6.010 13.377 1.477 1.00 0.00 N ATOM 1305 CA ALA A 85 7.043 14.305 1.906 1.00 0.00 C ATOM 1306 C ALA A 85 8.416 13.658 1.713 1.00 0.00 C ATOM 1307 O ALA A 85 9.128 13.403 2.683 1.00 0.00 O ATOM 1308 CB ALA A 85 6.791 14.714 3.358 1.00 0.00 C ATOM 0 H ALA A 85 6.073 12.447 1.891 1.00 0.00 H new ATOM 0 HA ALA A 85 7.018 15.212 1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.566 15.410 3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.816 15.195 3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.811 13.829 3.994 1.00 0.00 H new ATOM 1314 N SER A 86 8.746 13.410 0.454 1.00 0.00 N ATOM 1315 CA SER A 86 10.021 12.798 0.121 1.00 0.00 C ATOM 1316 C SER A 86 10.603 13.450 -1.135 1.00 0.00 C ATOM 1317 O SER A 86 9.874 14.060 -1.917 1.00 0.00 O ATOM 1318 CB SER A 86 9.870 11.289 -0.086 1.00 0.00 C ATOM 1319 OG SER A 86 11.069 10.695 -0.575 1.00 0.00 O ATOM 0 H SER A 86 8.152 13.622 -0.348 1.00 0.00 H new ATOM 0 HA SER A 86 10.705 12.957 0.955 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.592 10.820 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.058 11.099 -0.788 1.00 0.00 H new ATOM 0 HG SER A 86 10.866 10.151 -1.365 1.00 0.00 H new ATOM 1325 N THR A 87 11.910 13.298 -1.291 1.00 0.00 N ATOM 1326 CA THR A 87 12.598 13.865 -2.439 1.00 0.00 C ATOM 1327 C THR A 87 13.266 12.759 -3.259 1.00 0.00 C ATOM 1328 O THR A 87 14.128 13.035 -4.092 1.00 0.00 O ATOM 1329 CB THR A 87 13.580 14.920 -1.928 1.00 0.00 C ATOM 1330 OG1 THR A 87 14.245 14.280 -0.842 1.00 0.00 O ATOM 1331 CG2 THR A 87 12.874 16.113 -1.280 1.00 0.00 C ATOM 0 H THR A 87 12.511 12.790 -0.642 1.00 0.00 H new ATOM 0 HA THR A 87 11.899 14.353 -3.118 1.00 0.00 H new ATOM 0 HB THR A 87 14.199 15.269 -2.755 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.902 14.894 -0.453 1.00 0.00 H new ATOM 0 HG21 THR A 87 13.617 16.832 -0.935 1.00 0.00 H new ATOM 0 HG22 THR A 87 12.220 16.590 -2.010 1.00 0.00 H new ATOM 0 HG23 THR A 87 12.281 15.769 -0.433 1.00 0.00 H new ATOM 1339 N LYS A 88 12.842 11.532 -2.995 1.00 0.00 N ATOM 1340 CA LYS A 88 13.388 10.384 -3.698 1.00 0.00 C ATOM 1341 C LYS A 88 12.291 9.744 -4.551 1.00 0.00 C ATOM 1342 O LYS A 88 11.209 10.309 -4.702 1.00 0.00 O ATOM 1343 CB LYS A 88 14.045 9.415 -2.713 1.00 0.00 C ATOM 1344 CG LYS A 88 15.334 10.007 -2.139 1.00 0.00 C ATOM 1345 CD LYS A 88 16.071 8.982 -1.274 1.00 0.00 C ATOM 1346 CE LYS A 88 15.909 9.303 0.213 1.00 0.00 C ATOM 1347 NZ LYS A 88 15.960 8.063 1.019 1.00 0.00 N ATOM 0 H LYS A 88 12.126 11.308 -2.304 1.00 0.00 H new ATOM 0 HA LYS A 88 14.180 10.696 -4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.352 9.189 -1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 88 14.265 8.473 -3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 88 15.982 10.334 -2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 88 15.099 10.889 -1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.685 7.983 -1.478 1.00 0.00 H new ATOM 0 HD3 LYS A 88 17.129 8.974 -1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 88 16.698 9.984 0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.960 9.813 0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.849 8.299 2.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.192 7.426 0.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.875 7.592 0.873 1.00 0.00 H new ATOM 1361 N SER A 89 12.608 8.574 -5.085 1.00 0.00 N ATOM 1362 CA SER A 89 11.662 7.851 -5.918 1.00 0.00 C ATOM 1363 C SER A 89 10.955 6.773 -5.094 1.00 0.00 C ATOM 1364 O SER A 89 11.537 6.217 -4.163 1.00 0.00 O ATOM 1365 CB SER A 89 12.360 7.223 -7.126 1.00 0.00 C ATOM 1366 OG SER A 89 13.025 8.197 -7.925 1.00 0.00 O ATOM 0 H SER A 89 13.507 8.109 -4.957 1.00 0.00 H new ATOM 0 HA SER A 89 10.921 8.560 -6.288 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.082 6.482 -6.783 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.626 6.695 -7.735 1.00 0.00 H new ATOM 0 HG SER A 89 13.459 7.756 -8.685 1.00 0.00 H new ATOM 1372 N LEU A 90 9.711 6.511 -5.465 1.00 0.00 N ATOM 1373 CA LEU A 90 8.918 5.510 -4.771 1.00 0.00 C ATOM 1374 C LEU A 90 9.804 4.309 -4.433 1.00 0.00 C ATOM 1375 O LEU A 90 9.827 3.851 -3.292 1.00 0.00 O ATOM 1376 CB LEU A 90 7.677 5.148 -5.589 1.00 0.00 C ATOM 1377 CG LEU A 90 6.406 5.936 -5.264 1.00 0.00 C ATOM 1378 CD1 LEU A 90 6.176 7.050 -6.287 1.00 0.00 C ATOM 1379 CD2 LEU A 90 5.198 5.005 -5.148 1.00 0.00 C ATOM 0 H LEU A 90 9.232 6.974 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 90 8.544 5.907 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.908 5.289 -6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.469 4.087 -5.447 1.00 0.00 H new ATOM 0 HG LEU A 90 6.538 6.413 -4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.267 7.595 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.024 7.735 -6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.073 6.615 -7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.308 5.591 -4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.051 4.480 -6.092 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.372 4.280 -4.353 1.00 0.00 H new ATOM 1391 N GLN A 91 10.511 3.832 -5.447 1.00 0.00 N ATOM 1392 CA GLN A 91 11.396 2.693 -5.272 1.00 0.00 C ATOM 1393 C GLN A 91 12.069 2.750 -3.899 1.00 0.00 C ATOM 1394 O GLN A 91 12.233 1.724 -3.241 1.00 0.00 O ATOM 1395 CB GLN A 91 12.438 2.631 -6.391 1.00 0.00 C ATOM 1396 CG GLN A 91 12.386 1.284 -7.114 1.00 0.00 C ATOM 1397 CD GLN A 91 13.513 1.170 -8.143 1.00 0.00 C ATOM 1398 OE1 GLN A 91 14.432 0.379 -8.010 1.00 0.00 O ATOM 1399 NE2 GLN A 91 13.392 2.003 -9.173 1.00 0.00 N ATOM 0 H GLN A 91 10.489 4.214 -6.393 1.00 0.00 H new ATOM 0 HA GLN A 91 10.799 1.782 -5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.261 3.437 -7.103 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.433 2.786 -5.975 1.00 0.00 H new ATOM 0 HG2 GLN A 91 12.468 0.475 -6.389 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.422 1.171 -7.611 1.00 0.00 H new ATOM 0 HE21 GLN A 91 12.597 2.640 -9.223 1.00 0.00 H new ATOM 0 HE22 GLN A 91 14.094 2.004 -9.913 1.00 0.00 H new ATOM 1408 N GLU A 92 12.441 3.960 -3.507 1.00 0.00 N ATOM 1409 CA GLU A 92 13.092 4.164 -2.224 1.00 0.00 C ATOM 1410 C GLU A 92 12.103 3.921 -1.082 1.00 0.00 C ATOM 1411 O GLU A 92 12.240 2.957 -0.332 1.00 0.00 O ATOM 1412 CB GLU A 92 13.700 5.565 -2.135 1.00 0.00 C ATOM 1413 CG GLU A 92 14.963 5.670 -2.992 1.00 0.00 C ATOM 1414 CD GLU A 92 16.219 5.447 -2.147 1.00 0.00 C ATOM 1415 OE1 GLU A 92 16.191 4.505 -1.326 1.00 0.00 O ATOM 1416 OE2 GLU A 92 17.179 6.224 -2.342 1.00 0.00 O ATOM 0 H GLU A 92 12.304 4.809 -4.055 1.00 0.00 H new ATOM 0 HA GLU A 92 13.905 3.444 -2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 92 12.970 6.304 -2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.940 5.796 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.925 4.933 -3.794 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.007 6.652 -3.463 1.00 0.00 H new ATOM 1423 N LEU A 93 11.128 4.814 -0.987 1.00 0.00 N ATOM 1424 CA LEU A 93 10.117 4.709 0.051 1.00 0.00 C ATOM 1425 C LEU A 93 9.754 3.237 0.257 1.00 0.00 C ATOM 1426 O LEU A 93 9.808 2.732 1.377 1.00 0.00 O ATOM 1427 CB LEU A 93 8.916 5.598 -0.280 1.00 0.00 C ATOM 1428 CG LEU A 93 9.201 7.098 -0.385 1.00 0.00 C ATOM 1429 CD1 LEU A 93 10.502 7.461 0.333 1.00 0.00 C ATOM 1430 CD2 LEU A 93 9.205 7.554 -1.845 1.00 0.00 C ATOM 0 H LEU A 93 11.017 5.613 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 93 10.506 5.077 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.490 5.262 -1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.154 5.446 0.485 1.00 0.00 H new ATOM 0 HG LEU A 93 8.396 7.635 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.681 8.532 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.423 7.194 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.331 6.916 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.410 8.624 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.976 7.013 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.232 7.351 -2.292 1.00 0.00 H new ATOM 1442 N PHE A 94 9.392 2.591 -0.842 1.00 0.00 N ATOM 1443 CA PHE A 94 9.020 1.187 -0.796 1.00 0.00 C ATOM 1444 C PHE A 94 10.044 0.374 -0.001 1.00 0.00 C ATOM 1445 O PHE A 94 9.694 -0.294 0.970 1.00 0.00 O ATOM 1446 CB PHE A 94 8.996 0.683 -2.240 1.00 0.00 C ATOM 1447 CG PHE A 94 7.770 1.133 -3.036 1.00 0.00 C ATOM 1448 CD1 PHE A 94 6.553 1.195 -2.433 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.896 1.471 -4.347 1.00 0.00 C ATOM 1450 CE1 PHE A 94 5.414 1.613 -3.171 1.00 0.00 C ATOM 1451 CE2 PHE A 94 6.758 1.889 -5.086 1.00 0.00 C ATOM 1452 CZ PHE A 94 5.541 1.951 -4.483 1.00 0.00 C ATOM 0 H PHE A 94 9.348 3.014 -1.769 1.00 0.00 H new ATOM 0 HA PHE A 94 8.051 1.075 -0.310 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.895 1.030 -2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 94 9.033 -0.406 -2.234 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.452 0.926 -1.392 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.862 1.421 -4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.448 1.663 -2.691 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.859 2.158 -6.127 1.00 0.00 H new ATOM 0 HZ PHE A 94 4.675 2.268 -5.045 1.00 0.00 H new ATOM 1462 N LEU A 95 11.290 0.458 -0.444 1.00 0.00 N ATOM 1463 CA LEU A 95 12.368 -0.261 0.213 1.00 0.00 C ATOM 1464 C LEU A 95 12.604 0.339 1.600 1.00 0.00 C ATOM 1465 O LEU A 95 12.925 -0.380 2.545 1.00 0.00 O ATOM 1466 CB LEU A 95 13.617 -0.279 -0.670 1.00 0.00 C ATOM 1467 CG LEU A 95 13.797 -1.516 -1.553 1.00 0.00 C ATOM 1468 CD1 LEU A 95 14.587 -1.177 -2.818 1.00 0.00 C ATOM 1469 CD2 LEU A 95 14.437 -2.662 -0.767 1.00 0.00 C ATOM 0 H LEU A 95 11.577 1.013 -1.250 1.00 0.00 H new ATOM 0 HA LEU A 95 12.095 -1.306 0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.596 0.601 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.493 -0.185 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 95 12.811 -1.855 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.700 -2.074 -3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 95 14.053 -0.416 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 95 15.571 -0.799 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 95 14.554 -3.529 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.415 -2.350 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.799 -2.925 0.077 1.00 0.00 H new ATOM 1481 N ALA A 96 12.437 1.651 1.679 1.00 0.00 N ATOM 1482 CA ALA A 96 12.628 2.356 2.934 1.00 0.00 C ATOM 1483 C ALA A 96 11.397 2.154 3.820 1.00 0.00 C ATOM 1484 O ALA A 96 11.328 2.691 4.925 1.00 0.00 O ATOM 1485 CB ALA A 96 12.908 3.834 2.653 1.00 0.00 C ATOM 0 H ALA A 96 12.171 2.244 0.893 1.00 0.00 H new ATOM 0 HA ALA A 96 13.489 1.958 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.051 4.363 3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.808 3.925 2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.064 4.269 2.118 1.00 0.00 H new ATOM 1491 N HIS A 97 10.456 1.378 3.303 1.00 0.00 N ATOM 1492 CA HIS A 97 9.232 1.098 4.033 1.00 0.00 C ATOM 1493 C HIS A 97 8.703 -0.282 3.638 1.00 0.00 C ATOM 1494 O HIS A 97 7.496 -0.519 3.664 1.00 0.00 O ATOM 1495 CB HIS A 97 8.204 2.211 3.817 1.00 0.00 C ATOM 1496 CG HIS A 97 8.717 3.593 4.146 1.00 0.00 C ATOM 1497 ND1 HIS A 97 9.180 3.941 5.403 1.00 0.00 N ATOM 1498 CD2 HIS A 97 8.836 4.708 3.369 1.00 0.00 C ATOM 1499 CE1 HIS A 97 9.557 5.211 5.373 1.00 0.00 C ATOM 1500 NE2 HIS A 97 9.342 5.685 4.111 1.00 0.00 N ATOM 0 H HIS A 97 10.517 0.934 2.387 1.00 0.00 H new ATOM 0 HA HIS A 97 9.439 1.077 5.103 1.00 0.00 H new ATOM 0 HB2 HIS A 97 7.878 2.194 2.777 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.326 2.005 4.430 1.00 0.00 H new ATOM 0 HD1 HIS A 97 9.224 3.325 6.215 1.00 0.00 H new ATOM 0 HD2 HIS A 97 8.564 4.783 2.326 1.00 0.00 H new ATOM 0 HE1 HIS A 97 9.963 5.772 6.201 1.00 0.00 H new ATOM 1508 N ILE A 98 9.632 -1.157 3.283 1.00 0.00 N ATOM 1509 CA ILE A 98 9.275 -2.507 2.884 1.00 0.00 C ATOM 1510 C ILE A 98 9.108 -3.376 4.132 1.00 0.00 C ATOM 1511 O ILE A 98 10.031 -3.499 4.935 1.00 0.00 O ATOM 1512 CB ILE A 98 10.293 -3.057 1.883 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.788 -4.352 1.242 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.663 -3.239 2.539 1.00 0.00 C ATOM 1515 CD1 ILE A 98 9.315 -4.106 -0.192 1.00 0.00 C ATOM 0 H ILE A 98 10.632 -0.957 3.263 1.00 0.00 H new ATOM 0 HA ILE A 98 8.317 -2.509 2.363 1.00 0.00 H new ATOM 0 HB ILE A 98 10.413 -2.327 1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.584 -5.097 1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.969 -4.760 1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.368 -3.631 1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.020 -2.278 2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.578 -3.938 3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.961 -5.042 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.503 -3.379 -0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.143 -3.722 -0.787 1.00 0.00 H new ATOM 1527 N LEU A 99 7.923 -3.957 4.255 1.00 0.00 N ATOM 1528 CA LEU A 99 7.624 -4.812 5.392 1.00 0.00 C ATOM 1529 C LEU A 99 7.771 -6.277 4.976 1.00 0.00 C ATOM 1530 O LEU A 99 7.976 -7.148 5.820 1.00 0.00 O ATOM 1531 CB LEU A 99 6.249 -4.471 5.970 1.00 0.00 C ATOM 1532 CG LEU A 99 6.091 -3.060 6.539 1.00 0.00 C ATOM 1533 CD1 LEU A 99 4.775 -2.922 7.306 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.298 -2.676 7.397 1.00 0.00 C ATOM 0 H LEU A 99 7.159 -3.853 3.587 1.00 0.00 H new ATOM 0 HA LEU A 99 8.336 -4.637 6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.503 -4.611 5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.021 -5.187 6.760 1.00 0.00 H new ATOM 0 HG LEU A 99 6.053 -2.358 5.706 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.688 -1.909 7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.940 -3.123 6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.758 -3.635 8.130 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.160 -1.668 7.789 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.394 -3.378 8.225 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.202 -2.708 6.789 1.00 0.00 H new ATOM 1546 N SER A 100 7.660 -6.503 3.675 1.00 0.00 N ATOM 1547 CA SER A 100 7.778 -7.848 3.138 1.00 0.00 C ATOM 1548 C SER A 100 9.116 -8.006 2.412 1.00 0.00 C ATOM 1549 O SER A 100 9.859 -7.038 2.256 1.00 0.00 O ATOM 1550 CB SER A 100 6.620 -8.166 2.190 1.00 0.00 C ATOM 1551 OG SER A 100 6.514 -7.212 1.137 1.00 0.00 O ATOM 0 H SER A 100 7.490 -5.778 2.978 1.00 0.00 H new ATOM 0 HA SER A 100 7.737 -8.553 3.969 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.762 -9.160 1.766 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.687 -8.190 2.753 1.00 0.00 H new ATOM 0 HG SER A 100 6.299 -7.672 0.299 1.00 0.00 H new ATOM 1557 N SER A 101 9.382 -9.233 1.988 1.00 0.00 N ATOM 1558 CA SER A 101 10.617 -9.530 1.283 1.00 0.00 C ATOM 1559 C SER A 101 10.341 -9.684 -0.214 1.00 0.00 C ATOM 1560 O SER A 101 11.269 -9.708 -1.021 1.00 0.00 O ATOM 1561 CB SER A 101 11.276 -10.796 1.834 1.00 0.00 C ATOM 1562 OG SER A 101 12.437 -10.501 2.605 1.00 0.00 O ATOM 0 H SER A 101 8.763 -10.033 2.119 1.00 0.00 H new ATOM 0 HA SER A 101 11.306 -8.699 1.436 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.560 -11.339 2.451 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.547 -11.453 1.007 1.00 0.00 H new ATOM 0 HG SER A 101 12.828 -11.335 2.940 1.00 0.00 H new ATOM 1568 N TRP A 102 9.061 -9.784 -0.540 1.00 0.00 N ATOM 1569 CA TRP A 102 8.651 -9.935 -1.926 1.00 0.00 C ATOM 1570 C TRP A 102 8.151 -8.576 -2.421 1.00 0.00 C ATOM 1571 O TRP A 102 8.394 -7.552 -1.786 1.00 0.00 O ATOM 1572 CB TRP A 102 7.609 -11.045 -2.071 1.00 0.00 C ATOM 1573 CG TRP A 102 6.204 -10.644 -1.617 1.00 0.00 C ATOM 1574 CD1 TRP A 102 5.239 -10.058 -2.339 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.642 -10.823 -0.299 1.00 0.00 C ATOM 1576 NE1 TRP A 102 4.101 -9.848 -1.587 1.00 0.00 N ATOM 1577 CE2 TRP A 102 4.354 -10.328 -0.307 1.00 0.00 C ATOM 1578 CE3 TRP A 102 6.204 -11.385 0.860 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 3.520 -10.345 0.817 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 5.357 -11.395 1.975 1.00 0.00 C ATOM 1581 CH2 TRP A 102 4.058 -10.901 1.984 1.00 0.00 C ATOM 0 H TRP A 102 8.294 -9.763 0.132 1.00 0.00 H new ATOM 0 HA TRP A 102 9.492 -10.243 -2.547 1.00 0.00 H new ATOM 0 HB2 TRP A 102 7.567 -11.356 -3.115 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.933 -11.911 -1.493 1.00 0.00 H new ATOM 0 HD1 TRP A 102 5.339 -9.784 -3.379 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.234 -9.419 -1.911 1.00 0.00 H new ATOM 0 HE3 TRP A 102 7.210 -11.778 0.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.515 -9.950 0.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.740 -11.816 2.893 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.467 -10.946 2.887 1.00 0.00 H new ATOM 1592 N GLY A 103 7.460 -8.612 -3.552 1.00 0.00 N ATOM 1593 CA GLY A 103 6.923 -7.397 -4.140 1.00 0.00 C ATOM 1594 C GLY A 103 7.946 -6.740 -5.070 1.00 0.00 C ATOM 1595 O GLY A 103 8.310 -5.581 -4.878 1.00 0.00 O ATOM 0 H GLY A 103 7.260 -9.464 -4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 103 6.015 -7.629 -4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.643 -6.699 -3.351 1.00 0.00 H new